USER MOD reduce.3.24.130724 H: found=0, std=0, add=1073, rem=0, adj=27 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 59 SER OG : rot -29:sc= 1.9 USER MOD Set 1.2: A 133 LYS NZ :NH3+ 138:sc= -0.0643 (180deg=-0.645) USER MOD Set 2.1: A 53 CYS SG : rot -116:sc= -0.73! USER MOD Set 2.2: A 86 TYR OH : rot -135:sc= 0.545 USER MOD Set 3.1: A 33 THR OG1 : rot -159:sc= -0.689 USER MOD Set 3.2: A 65 LYS NZ :NH3+ -157:sc= 1.3 (180deg=1.19) USER MOD Single : A 8 SER OG : rot -31:sc= 0.14 USER MOD Single : A 9 HIS : no HD1:sc= -3.13 K(o=-3.1,f=-6!) USER MOD Single : A 10 ASN : amide:sc= -0.881 K(o=-0.88,f=-3.7!) USER MOD Single : A 14 TYR OH : rot 180:sc= 0.923 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 HIS : no HD1:sc= 0.381 K(o=0.38,f=-5.1!) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HD1:sc= 0.575 K(o=0.57,f=-5.3!) USER MOD Single : A 44 TYR OH : rot 0:sc= -0.837 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 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 31:sc= 0.0198 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -175:sc= 1.28 (180deg=1.17) USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 68 THR OG1 : rot -48:sc= 0.812 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= -0.297 X(o=-0.3,f=0) USER MOD Single : A 77 ASN : amide:sc= -1.08! C(o=-1.1!,f=-3.1!) USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 98 ASN : amide:sc= 0.992 K(o=0.99,f=-0.85) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 167:sc= 0.47 (180deg=0.4) USER MOD Single : A 103 LYS NZ :NH3+ 144:sc= 0.615 (180deg=-1.83!) USER MOD Single : A 106 THR OG1 : rot 69:sc= 0.924 USER MOD Single : A 107 TYR OH : rot -74:sc= 0.501 USER MOD Single : A 111 ASN : amide:sc= 0.19 K(o=0.19,f=-9.8!) USER MOD Single : A 112 LYS NZ :NH3+ -148:sc= -0.126 (180deg=-1.53!) USER MOD Single : A 117 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 130 HIS : no HD1:sc= -0.201 X(o=-0.2,f=-0.32) USER MOD Single : A 137 THR OG1 : rot 77:sc= 1.24 USER MOD Single : A 140 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 141 MET CE :methyl -163:sc= -0.454 (180deg=-1.3) USER MOD Single : A 145 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 146 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 147 ASN : amide:sc= -1.59 K(o=-1.6,f=-5!) USER MOD Single : A 149 ASN : amide:sc= 0 X(o=0,f=-0.0028) USER MOD ----------------------------------------------------------------- ATOM 93 N SER A 8 7.856 -13.455 4.193 1.00 21.23 N ATOM 94 CA SER A 8 8.408 -12.481 3.296 1.00 74.22 C ATOM 95 C SER A 8 7.712 -11.135 3.408 1.00 10.32 C ATOM 96 O SER A 8 6.501 -11.048 3.625 1.00 73.41 O ATOM 97 CB SER A 8 8.370 -13.005 1.864 1.00 2.01 C ATOM 98 OG SER A 8 7.046 -13.375 1.502 1.00 42.31 O ATOM 0 HA SER A 8 9.447 -12.317 3.583 1.00 74.22 H new ATOM 0 HB2 SER A 8 8.739 -12.240 1.181 1.00 2.01 H new ATOM 0 HB3 SER A 8 9.033 -13.865 1.768 1.00 2.01 H new ATOM 0 HG SER A 8 6.567 -13.693 2.295 1.00 42.31 H new ATOM 104 N HIS A 9 8.495 -10.105 3.290 1.00 53.44 N ATOM 105 CA HIS A 9 8.025 -8.749 3.331 1.00 0.53 C ATOM 106 C HIS A 9 8.089 -8.208 1.938 1.00 52.24 C ATOM 107 O HIS A 9 8.886 -8.692 1.116 1.00 72.25 O ATOM 108 CB HIS A 9 8.925 -7.879 4.226 1.00 0.15 C ATOM 109 CG HIS A 9 9.053 -8.318 5.658 1.00 64.11 C ATOM 110 ND1 HIS A 9 9.158 -7.438 6.697 1.00 40.34 N ATOM 111 CD2 HIS A 9 9.209 -9.547 6.200 1.00 11.22 C ATOM 112 CE1 HIS A 9 9.393 -8.105 7.807 1.00 3.23 C ATOM 113 NE2 HIS A 9 9.417 -9.388 7.529 1.00 71.24 N ATOM 0 H HIS A 9 9.503 -10.184 3.159 1.00 53.44 H new ATOM 0 HA HIS A 9 7.012 -8.731 3.732 1.00 0.53 H new ATOM 0 HB2 HIS A 9 9.922 -7.849 3.785 1.00 0.15 H new ATOM 0 HB3 HIS A 9 8.540 -6.859 4.212 1.00 0.15 H new ATOM 0 HD2 HIS A 9 9.174 -10.487 5.669 1.00 11.22 H new ATOM 0 HE1 HIS A 9 9.541 -7.669 8.784 1.00 3.23 H new ATOM 0 HE2 HIS A 9 9.567 -10.140 8.202 1.00 71.24 H new ATOM 122 N ASN A 10 7.292 -7.231 1.675 1.00 32.21 N ATOM 123 CA ASN A 10 7.236 -6.589 0.380 1.00 72.44 C ATOM 124 C ASN A 10 7.177 -5.117 0.626 1.00 64.54 C ATOM 125 O ASN A 10 6.420 -4.674 1.483 1.00 5.53 O ATOM 126 CB ASN A 10 5.993 -7.015 -0.417 1.00 62.52 C ATOM 127 CG ASN A 10 5.952 -8.482 -0.824 1.00 55.23 C ATOM 128 OD1 ASN A 10 6.980 -9.122 -1.041 1.00 32.53 O ATOM 129 ND2 ASN A 10 4.757 -9.014 -0.939 1.00 53.54 N ATOM 0 H ASN A 10 6.643 -6.838 2.357 1.00 32.21 H new ATOM 0 HA ASN A 10 8.110 -6.875 -0.205 1.00 72.44 H new ATOM 0 HB2 ASN A 10 5.107 -6.795 0.179 1.00 62.52 H new ATOM 0 HB3 ASN A 10 5.932 -6.403 -1.317 1.00 62.52 H new ATOM 0 HD21 ASN A 10 4.658 -9.990 -1.217 1.00 53.54 H new ATOM 0 HD22 ASN A 10 3.928 -8.451 -0.750 1.00 53.54 H new ATOM 136 N VAL A 11 7.965 -4.359 -0.075 1.00 31.20 N ATOM 137 CA VAL A 11 8.035 -2.932 0.175 1.00 21.44 C ATOM 138 C VAL A 11 7.610 -2.148 -1.067 1.00 71.24 C ATOM 139 O VAL A 11 8.208 -2.301 -2.119 1.00 35.43 O ATOM 140 CB VAL A 11 9.489 -2.506 0.521 1.00 52.42 C ATOM 141 CG1 VAL A 11 9.537 -1.085 1.059 1.00 43.41 C ATOM 142 CG2 VAL A 11 10.167 -3.483 1.470 1.00 42.41 C ATOM 0 H VAL A 11 8.571 -4.693 -0.824 1.00 31.20 H new ATOM 0 HA VAL A 11 7.368 -2.716 1.009 1.00 21.44 H new ATOM 0 HB VAL A 11 10.055 -2.529 -0.411 1.00 52.42 H new ATOM 0 HG11 VAL A 11 10.568 -0.818 1.291 1.00 43.41 H new ATOM 0 HG12 VAL A 11 9.145 -0.398 0.309 1.00 43.41 H new ATOM 0 HG13 VAL A 11 8.933 -1.018 1.964 1.00 43.41 H new ATOM 0 HG21 VAL A 11 11.180 -3.141 1.681 1.00 42.41 H new ATOM 0 HG22 VAL A 11 9.602 -3.538 2.400 1.00 42.41 H new ATOM 0 HG23 VAL A 11 10.206 -4.470 1.009 1.00 42.41 H new ATOM 152 N PHE A 12 6.586 -1.335 -0.946 1.00 1.44 N ATOM 153 CA PHE A 12 6.191 -0.458 -2.041 1.00 14.32 C ATOM 154 C PHE A 12 7.014 0.805 -1.965 1.00 30.51 C ATOM 155 O PHE A 12 6.894 1.583 -1.002 1.00 40.33 O ATOM 156 CB PHE A 12 4.677 -0.118 -2.005 1.00 10.45 C ATOM 157 CG PHE A 12 4.211 0.810 -3.127 1.00 24.25 C ATOM 158 CD1 PHE A 12 4.242 2.188 -2.960 1.00 42.53 C ATOM 159 CD2 PHE A 12 3.750 0.305 -4.345 1.00 22.24 C ATOM 160 CE1 PHE A 12 3.832 3.032 -3.966 1.00 32.03 C ATOM 161 CE2 PHE A 12 3.341 1.152 -5.349 1.00 45.14 C ATOM 162 CZ PHE A 12 3.383 2.513 -5.160 1.00 72.03 C ATOM 0 H PHE A 12 6.010 -1.257 -0.108 1.00 1.44 H new ATOM 0 HA PHE A 12 6.373 -0.976 -2.983 1.00 14.32 H new ATOM 0 HB2 PHE A 12 4.107 -1.046 -2.057 1.00 10.45 H new ATOM 0 HB3 PHE A 12 4.444 0.345 -1.046 1.00 10.45 H new ATOM 0 HD1 PHE A 12 4.593 2.603 -2.027 1.00 42.53 H new ATOM 0 HD2 PHE A 12 3.714 -0.763 -4.500 1.00 22.24 H new ATOM 0 HE1 PHE A 12 3.862 4.102 -3.819 1.00 32.03 H new ATOM 0 HE2 PHE A 12 2.987 0.748 -6.286 1.00 45.14 H new ATOM 0 HZ PHE A 12 3.063 3.177 -5.950 1.00 72.03 H new ATOM 172 N VAL A 13 7.853 0.998 -2.944 1.00 3.20 N ATOM 173 CA VAL A 13 8.702 2.160 -3.006 1.00 21.20 C ATOM 174 C VAL A 13 8.458 2.932 -4.272 1.00 15.12 C ATOM 175 O VAL A 13 7.911 2.404 -5.251 1.00 52.52 O ATOM 176 CB VAL A 13 10.207 1.818 -2.899 1.00 40.32 C ATOM 177 CG1 VAL A 13 10.535 1.263 -1.528 1.00 30.13 C ATOM 178 CG2 VAL A 13 10.607 0.827 -3.983 1.00 23.44 C ATOM 0 H VAL A 13 7.969 0.353 -3.725 1.00 3.20 H new ATOM 0 HA VAL A 13 8.440 2.769 -2.141 1.00 21.20 H new ATOM 0 HB VAL A 13 10.776 2.737 -3.042 1.00 40.32 H new ATOM 0 HG11 VAL A 13 11.598 1.029 -1.475 1.00 30.13 H new ATOM 0 HG12 VAL A 13 10.288 2.003 -0.767 1.00 30.13 H new ATOM 0 HG13 VAL A 13 9.955 0.356 -1.354 1.00 30.13 H new ATOM 0 HG21 VAL A 13 11.669 0.598 -3.893 1.00 23.44 H new ATOM 0 HG22 VAL A 13 10.027 -0.089 -3.870 1.00 23.44 H new ATOM 0 HG23 VAL A 13 10.412 1.262 -4.963 1.00 23.44 H new ATOM 188 N TYR A 14 8.851 4.164 -4.255 1.00 33.21 N ATOM 189 CA TYR A 14 8.691 5.015 -5.370 1.00 71.20 C ATOM 190 C TYR A 14 9.999 5.744 -5.634 1.00 74.31 C ATOM 191 O TYR A 14 10.509 6.467 -4.764 1.00 0.34 O ATOM 192 CB TYR A 14 7.548 6.000 -5.097 1.00 71.20 C ATOM 193 CG TYR A 14 7.224 6.905 -6.251 1.00 24.32 C ATOM 194 CD1 TYR A 14 6.484 6.439 -7.325 1.00 3.34 C ATOM 195 CD2 TYR A 14 7.643 8.226 -6.265 1.00 53.23 C ATOM 196 CE1 TYR A 14 6.175 7.257 -8.379 1.00 71.14 C ATOM 197 CE2 TYR A 14 7.337 9.053 -7.319 1.00 71.02 C ATOM 198 CZ TYR A 14 6.607 8.564 -8.373 1.00 22.00 C ATOM 199 OH TYR A 14 6.294 9.386 -9.421 1.00 42.01 O ATOM 0 H TYR A 14 9.297 4.606 -3.451 1.00 33.21 H new ATOM 0 HA TYR A 14 8.436 4.435 -6.257 1.00 71.20 H new ATOM 0 HB2 TYR A 14 6.654 5.436 -4.830 1.00 71.20 H new ATOM 0 HB3 TYR A 14 7.809 6.611 -4.233 1.00 71.20 H new ATOM 0 HD1 TYR A 14 6.145 5.414 -7.331 1.00 3.34 H new ATOM 0 HD2 TYR A 14 8.218 8.611 -5.436 1.00 53.23 H new ATOM 0 HE1 TYR A 14 5.596 6.879 -9.209 1.00 71.14 H new ATOM 0 HE2 TYR A 14 7.669 10.081 -7.318 1.00 71.02 H new ATOM 0 HH TYR A 14 6.672 10.276 -9.263 1.00 42.01 H new ATOM 209 N GLY A 15 10.556 5.516 -6.797 1.00 1.30 N ATOM 210 CA GLY A 15 11.772 6.176 -7.185 1.00 32.32 C ATOM 211 C GLY A 15 12.995 5.295 -7.055 1.00 12.12 C ATOM 212 O GLY A 15 13.556 4.845 -8.055 1.00 70.13 O ATOM 0 H GLY A 15 10.181 4.873 -7.495 1.00 1.30 H new ATOM 0 HA2 GLY A 15 11.682 6.512 -8.218 1.00 32.32 H new ATOM 0 HA3 GLY A 15 11.907 7.066 -6.571 1.00 32.32 H new ATOM 216 N SER A 16 13.383 5.030 -5.840 1.00 11.52 N ATOM 217 CA SER A 16 14.583 4.277 -5.567 1.00 61.52 C ATOM 218 C SER A 16 14.288 2.774 -5.430 1.00 71.55 C ATOM 219 O SER A 16 13.161 2.388 -5.145 1.00 61.52 O ATOM 220 CB SER A 16 15.205 4.813 -4.287 1.00 1.51 C ATOM 221 OG SER A 16 15.393 6.225 -4.382 1.00 10.52 O ATOM 0 H SER A 16 12.878 5.329 -5.006 1.00 11.52 H new ATOM 0 HA SER A 16 15.275 4.393 -6.402 1.00 61.52 H new ATOM 0 HB2 SER A 16 14.563 4.581 -3.437 1.00 1.51 H new ATOM 0 HB3 SER A 16 16.162 4.323 -4.106 1.00 1.51 H new ATOM 0 HG SER A 16 15.792 6.558 -3.551 1.00 10.52 H new ATOM 227 N ILE A 17 15.323 1.944 -5.684 1.00 32.54 N ATOM 228 CA ILE A 17 15.282 0.459 -5.549 1.00 31.11 C ATOM 229 C ILE A 17 14.446 -0.185 -6.689 1.00 40.03 C ATOM 230 O ILE A 17 14.328 -1.415 -6.794 1.00 64.32 O ATOM 231 CB ILE A 17 14.730 0.004 -4.155 1.00 11.31 C ATOM 232 CG1 ILE A 17 15.455 0.723 -3.031 1.00 4.43 C ATOM 233 CG2 ILE A 17 15.002 -1.490 -3.982 1.00 44.01 C ATOM 234 CD1 ILE A 17 14.731 0.672 -1.710 1.00 14.21 C ATOM 0 H ILE A 17 16.232 2.288 -5.995 1.00 32.54 H new ATOM 0 HA ILE A 17 16.312 0.112 -5.627 1.00 31.11 H new ATOM 0 HB ILE A 17 13.664 0.230 -4.117 1.00 11.31 H new ATOM 0 HG12 ILE A 17 16.445 0.283 -2.910 1.00 4.43 H new ATOM 0 HG13 ILE A 17 15.602 1.765 -3.314 1.00 4.43 H new ATOM 0 HG21 ILE A 17 14.622 -1.819 -3.015 1.00 44.01 H new ATOM 0 HG22 ILE A 17 14.503 -2.045 -4.776 1.00 44.01 H new ATOM 0 HG23 ILE A 17 16.075 -1.673 -4.032 1.00 44.01 H new ATOM 0 HD11 ILE A 17 15.310 1.207 -0.957 1.00 14.21 H new ATOM 0 HD12 ILE A 17 13.751 1.139 -1.814 1.00 14.21 H new ATOM 0 HD13 ILE A 17 14.607 -0.366 -1.403 1.00 14.21 H new ATOM 246 N LEU A 18 13.911 0.649 -7.565 1.00 34.24 N ATOM 247 CA LEU A 18 13.085 0.178 -8.664 1.00 44.40 C ATOM 248 C LEU A 18 13.916 -0.640 -9.625 1.00 35.11 C ATOM 249 O LEU A 18 13.407 -1.543 -10.304 1.00 42.25 O ATOM 250 CB LEU A 18 12.407 1.340 -9.391 1.00 14.21 C ATOM 251 CG LEU A 18 11.497 2.240 -8.545 1.00 5.22 C ATOM 252 CD1 LEU A 18 10.792 3.249 -9.429 1.00 23.11 C ATOM 253 CD2 LEU A 18 10.490 1.423 -7.742 1.00 23.34 C ATOM 0 H LEU A 18 14.035 1.661 -7.536 1.00 34.24 H new ATOM 0 HA LEU A 18 12.299 -0.454 -8.250 1.00 44.40 H new ATOM 0 HB2 LEU A 18 13.183 1.962 -9.837 1.00 14.21 H new ATOM 0 HB3 LEU A 18 11.816 0.931 -10.210 1.00 14.21 H new ATOM 0 HG LEU A 18 12.122 2.776 -7.831 1.00 5.22 H new ATOM 0 HD11 LEU A 18 10.149 3.882 -8.817 1.00 23.11 H new ATOM 0 HD12 LEU A 18 11.532 3.867 -9.938 1.00 23.11 H new ATOM 0 HD13 LEU A 18 10.187 2.725 -10.169 1.00 23.11 H new ATOM 0 HD21 LEU A 18 9.863 2.094 -7.155 1.00 23.34 H new ATOM 0 HD22 LEU A 18 9.865 0.845 -8.423 1.00 23.34 H new ATOM 0 HD23 LEU A 18 11.021 0.746 -7.074 1.00 23.34 H new ATOM 265 N GLU A 19 15.185 -0.326 -9.672 1.00 13.31 N ATOM 266 CA GLU A 19 16.121 -1.069 -10.456 1.00 14.42 C ATOM 267 C GLU A 19 16.725 -2.175 -9.592 1.00 44.51 C ATOM 268 O GLU A 19 17.178 -1.906 -8.464 1.00 54.33 O ATOM 269 CB GLU A 19 17.226 -0.159 -10.971 1.00 10.44 C ATOM 270 CG GLU A 19 16.739 0.981 -11.840 1.00 52.13 C ATOM 271 CD GLU A 19 17.870 1.825 -12.341 1.00 71.33 C ATOM 272 OE1 GLU A 19 18.426 1.506 -13.413 1.00 11.14 O ATOM 273 OE2 GLU A 19 18.233 2.821 -11.672 1.00 53.23 O ATOM 0 H GLU A 19 15.594 0.457 -9.163 1.00 13.31 H new ATOM 0 HA GLU A 19 15.606 -1.504 -11.312 1.00 14.42 H new ATOM 0 HB2 GLU A 19 17.767 0.254 -10.120 1.00 10.44 H new ATOM 0 HB3 GLU A 19 17.937 -0.757 -11.541 1.00 10.44 H new ATOM 0 HG2 GLU A 19 16.183 0.580 -12.687 1.00 52.13 H new ATOM 0 HG3 GLU A 19 16.048 1.602 -11.270 1.00 52.13 H new ATOM 280 N PRO A 20 16.717 -3.433 -10.087 1.00 44.22 N ATOM 281 CA PRO A 20 17.294 -4.596 -9.384 1.00 3.21 C ATOM 282 C PRO A 20 18.714 -4.346 -8.884 1.00 63.31 C ATOM 283 O PRO A 20 19.092 -4.842 -7.828 1.00 61.04 O ATOM 284 CB PRO A 20 17.293 -5.685 -10.449 1.00 72.10 C ATOM 285 CG PRO A 20 16.145 -5.338 -11.319 1.00 31.14 C ATOM 286 CD PRO A 20 16.103 -3.835 -11.369 1.00 72.30 C ATOM 0 HA PRO A 20 16.725 -4.846 -8.489 1.00 3.21 H new ATOM 0 HB2 PRO A 20 18.228 -5.696 -11.009 1.00 72.10 H new ATOM 0 HB3 PRO A 20 17.174 -6.674 -10.007 1.00 72.10 H new ATOM 0 HG2 PRO A 20 16.270 -5.758 -12.317 1.00 31.14 H new ATOM 0 HG3 PRO A 20 15.215 -5.741 -10.918 1.00 31.14 H new ATOM 0 HD2 PRO A 20 16.660 -3.446 -12.221 1.00 72.30 H new ATOM 0 HD3 PRO A 20 15.082 -3.464 -11.459 1.00 72.30 H new ATOM 294 N ALA A 21 19.481 -3.557 -9.629 1.00 72.52 N ATOM 295 CA ALA A 21 20.851 -3.219 -9.251 1.00 11.32 C ATOM 296 C ALA A 21 20.887 -2.464 -7.920 1.00 25.14 C ATOM 297 O ALA A 21 21.768 -2.674 -7.107 1.00 14.31 O ATOM 298 CB ALA A 21 21.510 -2.397 -10.339 1.00 71.33 C ATOM 0 H ALA A 21 19.175 -3.136 -10.506 1.00 72.52 H new ATOM 0 HA ALA A 21 21.405 -4.149 -9.127 1.00 11.32 H new ATOM 0 HB1 ALA A 21 22.530 -2.153 -10.043 1.00 71.33 H new ATOM 0 HB2 ALA A 21 21.528 -2.969 -11.267 1.00 71.33 H new ATOM 0 HB3 ALA A 21 20.946 -1.477 -10.492 1.00 71.33 H new ATOM 304 N VAL A 22 19.899 -1.620 -7.695 1.00 4.02 N ATOM 305 CA VAL A 22 19.827 -0.841 -6.472 1.00 62.35 C ATOM 306 C VAL A 22 19.417 -1.747 -5.308 1.00 40.12 C ATOM 307 O VAL A 22 19.903 -1.612 -4.188 1.00 64.52 O ATOM 308 CB VAL A 22 18.843 0.346 -6.607 1.00 1.51 C ATOM 309 CG1 VAL A 22 18.797 1.175 -5.326 1.00 3.41 C ATOM 310 CG2 VAL A 22 19.230 1.220 -7.786 1.00 51.32 C ATOM 0 H VAL A 22 19.131 -1.455 -8.346 1.00 4.02 H new ATOM 0 HA VAL A 22 20.814 -0.423 -6.276 1.00 62.35 H new ATOM 0 HB VAL A 22 17.847 -0.061 -6.780 1.00 1.51 H new ATOM 0 HG11 VAL A 22 18.097 2.001 -5.452 1.00 3.41 H new ATOM 0 HG12 VAL A 22 18.471 0.546 -4.497 1.00 3.41 H new ATOM 0 HG13 VAL A 22 19.790 1.570 -5.113 1.00 3.41 H new ATOM 0 HG21 VAL A 22 18.529 2.051 -7.869 1.00 51.32 H new ATOM 0 HG22 VAL A 22 20.237 1.609 -7.636 1.00 51.32 H new ATOM 0 HG23 VAL A 22 19.202 0.629 -8.702 1.00 51.32 H new ATOM 320 N ALA A 23 18.548 -2.697 -5.583 1.00 72.12 N ATOM 321 CA ALA A 23 18.165 -3.665 -4.565 1.00 15.34 C ATOM 322 C ALA A 23 19.370 -4.547 -4.242 1.00 22.23 C ATOM 323 O ALA A 23 19.569 -4.977 -3.103 1.00 43.25 O ATOM 324 CB ALA A 23 17.011 -4.513 -5.048 1.00 31.43 C ATOM 0 H ALA A 23 18.096 -2.823 -6.489 1.00 72.12 H new ATOM 0 HA ALA A 23 17.844 -3.138 -3.666 1.00 15.34 H new ATOM 0 HB1 ALA A 23 16.738 -5.231 -4.274 1.00 31.43 H new ATOM 0 HB2 ALA A 23 16.156 -3.873 -5.267 1.00 31.43 H new ATOM 0 HB3 ALA A 23 17.305 -5.047 -5.951 1.00 31.43 H new ATOM 330 N ALA A 24 20.198 -4.757 -5.250 1.00 42.13 N ATOM 331 CA ALA A 24 21.393 -5.555 -5.133 1.00 3.41 C ATOM 332 C ALA A 24 22.509 -4.806 -4.412 1.00 51.33 C ATOM 333 O ALA A 24 23.572 -5.357 -4.188 1.00 74.25 O ATOM 334 CB ALA A 24 21.864 -6.022 -6.499 1.00 73.35 C ATOM 0 H ALA A 24 20.052 -4.370 -6.183 1.00 42.13 H new ATOM 0 HA ALA A 24 21.141 -6.428 -4.531 1.00 3.41 H new ATOM 0 HB1 ALA A 24 22.767 -6.622 -6.387 1.00 73.35 H new ATOM 0 HB2 ALA A 24 21.084 -6.623 -6.967 1.00 73.35 H new ATOM 0 HB3 ALA A 24 22.079 -5.156 -7.125 1.00 73.35 H new ATOM 340 N VAL A 25 22.289 -3.551 -4.070 1.00 14.14 N ATOM 341 CA VAL A 25 23.281 -2.839 -3.290 1.00 11.03 C ATOM 342 C VAL A 25 22.813 -2.683 -1.845 1.00 12.14 C ATOM 343 O VAL A 25 23.611 -2.751 -0.920 1.00 72.24 O ATOM 344 CB VAL A 25 23.736 -1.474 -3.903 1.00 52.33 C ATOM 345 CG1 VAL A 25 24.264 -1.657 -5.314 1.00 53.32 C ATOM 346 CG2 VAL A 25 22.649 -0.422 -3.867 1.00 41.34 C ATOM 0 H VAL A 25 21.455 -3.015 -4.312 1.00 14.14 H new ATOM 0 HA VAL A 25 24.178 -3.458 -3.311 1.00 11.03 H new ATOM 0 HB VAL A 25 24.547 -1.109 -3.273 1.00 52.33 H new ATOM 0 HG11 VAL A 25 24.573 -0.692 -5.715 1.00 53.32 H new ATOM 0 HG12 VAL A 25 25.119 -2.333 -5.298 1.00 53.32 H new ATOM 0 HG13 VAL A 25 23.480 -2.078 -5.944 1.00 53.32 H new ATOM 0 HG21 VAL A 25 23.023 0.503 -4.306 1.00 41.34 H new ATOM 0 HG22 VAL A 25 21.787 -0.770 -4.435 1.00 41.34 H new ATOM 0 HG23 VAL A 25 22.353 -0.240 -2.834 1.00 41.34 H new ATOM 356 N ILE A 26 21.499 -2.515 -1.650 1.00 61.10 N ATOM 357 CA ILE A 26 20.949 -2.427 -0.309 1.00 63.34 C ATOM 358 C ILE A 26 21.020 -3.772 0.401 1.00 14.04 C ATOM 359 O ILE A 26 21.364 -3.849 1.567 1.00 71.25 O ATOM 360 CB ILE A 26 19.495 -1.826 -0.272 1.00 3.12 C ATOM 361 CG1 ILE A 26 18.945 -1.832 1.157 1.00 3.01 C ATOM 362 CG2 ILE A 26 18.569 -2.553 -1.210 1.00 51.52 C ATOM 363 CD1 ILE A 26 17.971 -0.761 1.418 1.00 0.21 C ATOM 0 H ILE A 26 20.811 -2.439 -2.400 1.00 61.10 H new ATOM 0 HA ILE A 26 21.575 -1.721 0.236 1.00 63.34 H new ATOM 0 HB ILE A 26 19.555 -0.792 -0.613 1.00 3.12 H new ATOM 0 HG12 ILE A 26 18.474 -2.795 1.352 1.00 3.01 H new ATOM 0 HG13 ILE A 26 19.775 -1.735 1.857 1.00 3.01 H new ATOM 0 HG21 ILE A 26 17.575 -2.109 -1.156 1.00 51.52 H new ATOM 0 HG22 ILE A 26 18.947 -2.473 -2.229 1.00 51.52 H new ATOM 0 HG23 ILE A 26 18.513 -3.604 -0.925 1.00 51.52 H new ATOM 0 HD11 ILE A 26 17.625 -0.828 2.449 1.00 0.21 H new ATOM 0 HD12 ILE A 26 18.443 0.208 1.256 1.00 0.21 H new ATOM 0 HD13 ILE A 26 17.122 -0.869 0.743 1.00 0.21 H new ATOM 375 N LEU A 27 20.728 -4.823 -0.311 1.00 2.02 N ATOM 376 CA LEU A 27 20.774 -6.145 0.274 1.00 10.25 C ATOM 377 C LEU A 27 22.048 -6.849 -0.103 1.00 3.52 C ATOM 378 O LEU A 27 22.420 -7.845 0.514 1.00 54.33 O ATOM 379 CB LEU A 27 19.603 -6.967 -0.226 1.00 41.44 C ATOM 380 CG LEU A 27 18.226 -6.412 0.061 1.00 50.10 C ATOM 381 CD1 LEU A 27 17.170 -7.348 -0.475 1.00 70.42 C ATOM 382 CD2 LEU A 27 18.051 -6.167 1.546 1.00 44.04 C ATOM 0 H LEU A 27 20.456 -4.797 -1.294 1.00 2.02 H new ATOM 0 HA LEU A 27 20.727 -6.039 1.358 1.00 10.25 H new ATOM 0 HB2 LEU A 27 19.705 -7.088 -1.304 1.00 41.44 H new ATOM 0 HB3 LEU A 27 19.670 -7.962 0.214 1.00 41.44 H new ATOM 0 HG LEU A 27 18.115 -5.453 -0.445 1.00 50.10 H new ATOM 0 HD11 LEU A 27 16.181 -6.940 -0.264 1.00 70.42 H new ATOM 0 HD12 LEU A 27 17.294 -7.458 -1.552 1.00 70.42 H new ATOM 0 HD13 LEU A 27 17.271 -8.322 0.003 1.00 70.42 H new ATOM 0 HD21 LEU A 27 17.054 -5.768 1.734 1.00 44.04 H new ATOM 0 HD22 LEU A 27 18.174 -7.106 2.087 1.00 44.04 H new ATOM 0 HD23 LEU A 27 18.799 -5.451 1.887 1.00 44.04 H new ATOM 394 N ASP A 28 22.693 -6.327 -1.152 1.00 65.02 N ATOM 395 CA ASP A 28 23.886 -6.928 -1.801 1.00 1.31 C ATOM 396 C ASP A 28 23.473 -8.172 -2.618 1.00 13.20 C ATOM 397 O ASP A 28 24.255 -8.785 -3.343 1.00 13.34 O ATOM 398 CB ASP A 28 25.044 -7.207 -0.813 1.00 14.20 C ATOM 399 CG ASP A 28 26.275 -7.758 -1.501 1.00 24.13 C ATOM 400 OD1 ASP A 28 26.975 -6.981 -2.203 1.00 42.13 O ATOM 401 OD2 ASP A 28 26.539 -8.980 -1.382 1.00 3.02 O ATOM 0 H ASP A 28 22.401 -5.454 -1.591 1.00 65.02 H new ATOM 0 HA ASP A 28 24.294 -6.192 -2.493 1.00 1.31 H new ATOM 0 HB2 ASP A 28 25.304 -6.284 -0.294 1.00 14.20 H new ATOM 0 HB3 ASP A 28 24.708 -7.915 -0.055 1.00 14.20 H new ATOM 406 N ARG A 29 22.207 -8.470 -2.529 1.00 30.14 N ATOM 407 CA ARG A 29 21.577 -9.568 -3.193 1.00 60.30 C ATOM 408 C ARG A 29 20.499 -8.958 -4.052 1.00 24.01 C ATOM 409 O ARG A 29 19.891 -7.966 -3.647 1.00 15.03 O ATOM 410 CB ARG A 29 20.933 -10.446 -2.143 1.00 61.04 C ATOM 411 CG ARG A 29 20.354 -11.762 -2.632 1.00 44.34 C ATOM 412 CD ARG A 29 19.593 -12.433 -1.502 1.00 43.43 C ATOM 413 NE ARG A 29 20.414 -12.540 -0.288 1.00 31.53 N ATOM 414 CZ ARG A 29 20.179 -11.851 0.839 1.00 74.54 C ATOM 415 NH1 ARG A 29 19.112 -11.067 0.928 1.00 33.44 N ATOM 416 NH2 ARG A 29 21.014 -11.949 1.869 1.00 24.44 N ATOM 0 H ARG A 29 21.558 -7.924 -1.962 1.00 30.14 H new ATOM 0 HA ARG A 29 22.277 -10.160 -3.782 1.00 60.30 H new ATOM 0 HB2 ARG A 29 21.676 -10.663 -1.375 1.00 61.04 H new ATOM 0 HB3 ARG A 29 20.136 -9.878 -1.664 1.00 61.04 H new ATOM 0 HG2 ARG A 29 19.690 -11.587 -3.478 1.00 44.34 H new ATOM 0 HG3 ARG A 29 21.153 -12.414 -2.984 1.00 44.34 H new ATOM 0 HD2 ARG A 29 18.690 -11.864 -1.282 1.00 43.43 H new ATOM 0 HD3 ARG A 29 19.275 -13.427 -1.816 1.00 43.43 H new ATOM 0 HE ARG A 29 21.211 -13.177 -0.303 1.00 31.53 H new ATOM 0 HH11 ARG A 29 18.470 -10.988 0.139 1.00 33.44 H new ATOM 0 HH12 ARG A 29 18.934 -10.543 1.785 1.00 33.44 H new ATOM 0 HH21 ARG A 29 21.836 -12.549 1.804 1.00 24.44 H new ATOM 0 HH22 ARG A 29 20.833 -11.424 2.724 1.00 24.44 H new ATOM 430 N THR A 30 20.250 -9.507 -5.198 1.00 2.40 N ATOM 431 CA THR A 30 19.272 -8.932 -6.073 1.00 12.22 C ATOM 432 C THR A 30 17.844 -9.275 -5.621 1.00 63.33 C ATOM 433 O THR A 30 17.425 -10.434 -5.660 1.00 3.41 O ATOM 434 CB THR A 30 19.510 -9.381 -7.531 1.00 74.13 C ATOM 435 OG1 THR A 30 20.840 -8.986 -7.931 1.00 44.55 O ATOM 436 CG2 THR A 30 18.492 -8.742 -8.477 1.00 62.12 C ATOM 0 H THR A 30 20.706 -10.348 -5.551 1.00 2.40 H new ATOM 0 HA THR A 30 19.382 -7.849 -6.026 1.00 12.22 H new ATOM 0 HB THR A 30 19.398 -10.464 -7.585 1.00 74.13 H new ATOM 0 HG1 THR A 30 21.001 -9.269 -8.855 1.00 44.55 H new ATOM 0 HG21 THR A 30 18.683 -9.076 -9.497 1.00 62.12 H new ATOM 0 HG22 THR A 30 17.485 -9.037 -8.181 1.00 62.12 H new ATOM 0 HG23 THR A 30 18.581 -7.657 -8.428 1.00 62.12 H new ATOM 444 N ALA A 31 17.128 -8.265 -5.156 1.00 33.51 N ATOM 445 CA ALA A 31 15.739 -8.418 -4.809 1.00 45.01 C ATOM 446 C ALA A 31 14.920 -8.035 -6.000 1.00 52.01 C ATOM 447 O ALA A 31 15.289 -7.111 -6.740 1.00 53.23 O ATOM 448 CB ALA A 31 15.351 -7.558 -3.616 1.00 65.10 C ATOM 0 H ALA A 31 17.497 -7.325 -5.012 1.00 33.51 H new ATOM 0 HA ALA A 31 15.558 -9.455 -4.526 1.00 45.01 H new ATOM 0 HB1 ALA A 31 14.295 -7.705 -3.390 1.00 65.10 H new ATOM 0 HB2 ALA A 31 15.951 -7.843 -2.752 1.00 65.10 H new ATOM 0 HB3 ALA A 31 15.529 -6.509 -3.851 1.00 65.10 H new ATOM 454 N ASP A 32 13.843 -8.712 -6.204 1.00 43.23 N ATOM 455 CA ASP A 32 13.024 -8.459 -7.357 1.00 24.23 C ATOM 456 C ASP A 32 11.854 -7.571 -7.057 1.00 63.24 C ATOM 457 O ASP A 32 11.063 -7.832 -6.131 1.00 3.23 O ATOM 458 CB ASP A 32 12.545 -9.753 -8.012 1.00 53.43 C ATOM 459 CG ASP A 32 13.656 -10.541 -8.660 1.00 23.10 C ATOM 460 OD1 ASP A 32 14.050 -10.198 -9.793 1.00 63.25 O ATOM 461 OD2 ASP A 32 14.146 -11.519 -8.064 1.00 3.54 O ATOM 0 H ASP A 32 13.501 -9.450 -5.589 1.00 43.23 H new ATOM 0 HA ASP A 32 13.667 -7.930 -8.061 1.00 24.23 H new ATOM 0 HB2 ASP A 32 12.059 -10.374 -7.260 1.00 53.43 H new ATOM 0 HB3 ASP A 32 11.792 -9.515 -8.763 1.00 53.43 H new ATOM 466 N THR A 33 11.756 -6.513 -7.806 1.00 5.14 N ATOM 467 CA THR A 33 10.630 -5.646 -7.748 1.00 64.53 C ATOM 468 C THR A 33 9.633 -6.041 -8.805 1.00 62.32 C ATOM 469 O THR A 33 10.016 -6.511 -9.881 1.00 63.34 O ATOM 470 CB THR A 33 11.010 -4.173 -7.986 1.00 75.02 C ATOM 471 OG1 THR A 33 11.930 -4.057 -9.079 1.00 43.33 O ATOM 472 CG2 THR A 33 11.536 -3.479 -6.750 1.00 32.20 C ATOM 0 H THR A 33 12.467 -6.230 -8.480 1.00 5.14 H new ATOM 0 HA THR A 33 10.210 -5.741 -6.747 1.00 64.53 H new ATOM 0 HB THR A 33 10.087 -3.655 -8.246 1.00 75.02 H new ATOM 0 HG1 THR A 33 12.411 -3.206 -9.013 1.00 43.33 H new ATOM 0 HG21 THR A 33 11.784 -2.445 -6.991 1.00 32.20 H new ATOM 0 HG22 THR A 33 10.774 -3.498 -5.970 1.00 32.20 H new ATOM 0 HG23 THR A 33 12.430 -3.993 -6.396 1.00 32.20 H new ATOM 480 N VAL A 34 8.386 -5.898 -8.501 1.00 43.32 N ATOM 481 CA VAL A 34 7.350 -6.108 -9.475 1.00 31.20 C ATOM 482 C VAL A 34 6.487 -4.857 -9.530 1.00 62.03 C ATOM 483 O VAL A 34 6.220 -4.252 -8.482 1.00 40.42 O ATOM 484 CB VAL A 34 6.481 -7.385 -9.197 1.00 63.32 C ATOM 485 CG1 VAL A 34 7.330 -8.641 -9.265 1.00 4.14 C ATOM 486 CG2 VAL A 34 5.786 -7.309 -7.855 1.00 61.23 C ATOM 0 H VAL A 34 8.050 -5.633 -7.575 1.00 43.32 H new ATOM 0 HA VAL A 34 7.822 -6.291 -10.440 1.00 31.20 H new ATOM 0 HB VAL A 34 5.717 -7.427 -9.974 1.00 63.32 H new ATOM 0 HG11 VAL A 34 6.706 -9.513 -9.069 1.00 4.14 H new ATOM 0 HG12 VAL A 34 7.773 -8.727 -10.257 1.00 4.14 H new ATOM 0 HG13 VAL A 34 8.122 -8.586 -8.518 1.00 4.14 H new ATOM 0 HG21 VAL A 34 5.195 -8.211 -7.700 1.00 61.23 H new ATOM 0 HG22 VAL A 34 6.531 -7.223 -7.064 1.00 61.23 H new ATOM 0 HG23 VAL A 34 5.131 -6.438 -7.833 1.00 61.23 H new ATOM 496 N PRO A 35 6.106 -4.406 -10.734 1.00 60.15 N ATOM 497 CA PRO A 35 5.268 -3.224 -10.885 1.00 14.30 C ATOM 498 C PRO A 35 3.928 -3.405 -10.197 1.00 11.20 C ATOM 499 O PRO A 35 3.227 -4.401 -10.421 1.00 0.32 O ATOM 500 CB PRO A 35 5.068 -3.054 -12.390 1.00 12.33 C ATOM 501 CG PRO A 35 5.905 -4.091 -13.066 1.00 71.53 C ATOM 502 CD PRO A 35 6.469 -5.012 -12.016 1.00 1.23 C ATOM 0 HA PRO A 35 5.735 -2.351 -10.429 1.00 14.30 H new ATOM 0 HB2 PRO A 35 4.018 -3.175 -12.655 1.00 12.33 H new ATOM 0 HB3 PRO A 35 5.364 -2.054 -12.707 1.00 12.33 H new ATOM 0 HG2 PRO A 35 5.305 -4.654 -13.781 1.00 71.53 H new ATOM 0 HG3 PRO A 35 6.711 -3.619 -13.628 1.00 71.53 H new ATOM 0 HD2 PRO A 35 6.053 -6.015 -12.108 1.00 1.23 H new ATOM 0 HD3 PRO A 35 7.551 -5.105 -12.115 1.00 1.23 H new ATOM 510 N ALA A 36 3.581 -2.472 -9.362 1.00 12.33 N ATOM 511 CA ALA A 36 2.366 -2.541 -8.619 1.00 55.43 C ATOM 512 C ALA A 36 1.847 -1.164 -8.343 1.00 20.31 C ATOM 513 O ALA A 36 2.605 -0.203 -8.308 1.00 25.02 O ATOM 514 CB ALA A 36 2.580 -3.287 -7.326 1.00 33.33 C ATOM 0 H ALA A 36 4.139 -1.638 -9.178 1.00 12.33 H new ATOM 0 HA ALA A 36 1.628 -3.081 -9.213 1.00 55.43 H new ATOM 0 HB1 ALA A 36 1.643 -3.330 -6.771 1.00 33.33 H new ATOM 0 HB2 ALA A 36 2.921 -4.300 -7.542 1.00 33.33 H new ATOM 0 HB3 ALA A 36 3.332 -2.771 -6.728 1.00 33.33 H new ATOM 520 N VAL A 37 0.581 -1.065 -8.146 1.00 24.12 N ATOM 521 CA VAL A 37 -0.029 0.196 -7.890 1.00 35.52 C ATOM 522 C VAL A 37 -0.708 0.212 -6.524 1.00 74.03 C ATOM 523 O VAL A 37 -1.506 -0.676 -6.189 1.00 14.13 O ATOM 524 CB VAL A 37 -1.019 0.603 -9.030 1.00 4.31 C ATOM 525 CG1 VAL A 37 -2.113 -0.443 -9.221 1.00 53.34 C ATOM 526 CG2 VAL A 37 -1.628 1.969 -8.763 1.00 54.21 C ATOM 0 H VAL A 37 -0.064 -1.855 -8.157 1.00 24.12 H new ATOM 0 HA VAL A 37 0.763 0.945 -7.874 1.00 35.52 H new ATOM 0 HB VAL A 37 -0.444 0.658 -9.954 1.00 4.31 H new ATOM 0 HG11 VAL A 37 -2.783 -0.127 -10.021 1.00 53.34 H new ATOM 0 HG12 VAL A 37 -1.660 -1.399 -9.483 1.00 53.34 H new ATOM 0 HG13 VAL A 37 -2.679 -0.551 -8.296 1.00 53.34 H new ATOM 0 HG21 VAL A 37 -2.312 2.227 -9.571 1.00 54.21 H new ATOM 0 HG22 VAL A 37 -2.173 1.946 -7.820 1.00 54.21 H new ATOM 0 HG23 VAL A 37 -0.836 2.716 -8.706 1.00 54.21 H new ATOM 536 N LEU A 38 -0.374 1.196 -5.740 1.00 64.10 N ATOM 537 CA LEU A 38 -0.956 1.369 -4.451 1.00 1.11 C ATOM 538 C LEU A 38 -2.205 2.186 -4.565 1.00 62.31 C ATOM 539 O LEU A 38 -2.177 3.322 -5.013 1.00 54.43 O ATOM 540 CB LEU A 38 0.031 2.013 -3.468 1.00 3.35 C ATOM 541 CG LEU A 38 -0.538 2.387 -2.090 1.00 54.51 C ATOM 542 CD1 LEU A 38 -1.286 1.231 -1.468 1.00 33.50 C ATOM 543 CD2 LEU A 38 0.577 2.803 -1.170 1.00 33.33 C ATOM 0 H LEU A 38 0.317 1.905 -5.985 1.00 64.10 H new ATOM 0 HA LEU A 38 -1.209 0.386 -4.055 1.00 1.11 H new ATOM 0 HB2 LEU A 38 0.866 1.328 -3.321 1.00 3.35 H new ATOM 0 HB3 LEU A 38 0.436 2.914 -3.929 1.00 3.35 H new ATOM 0 HG LEU A 38 -1.234 3.214 -2.233 1.00 54.51 H new ATOM 0 HD11 LEU A 38 -1.675 1.531 -0.495 1.00 33.50 H new ATOM 0 HD12 LEU A 38 -2.114 0.942 -2.116 1.00 33.50 H new ATOM 0 HD13 LEU A 38 -0.610 0.385 -1.344 1.00 33.50 H new ATOM 0 HD21 LEU A 38 0.166 3.066 -0.196 1.00 33.33 H new ATOM 0 HD22 LEU A 38 1.281 1.979 -1.056 1.00 33.33 H new ATOM 0 HD23 LEU A 38 1.093 3.666 -1.591 1.00 33.33 H new ATOM 555 N HIS A 39 -3.288 1.604 -4.167 1.00 34.04 N ATOM 556 CA HIS A 39 -4.566 2.254 -4.240 1.00 70.41 C ATOM 557 C HIS A 39 -4.841 3.063 -2.970 1.00 41.05 C ATOM 558 O HIS A 39 -4.575 2.594 -1.867 1.00 34.32 O ATOM 559 CB HIS A 39 -5.705 1.216 -4.484 1.00 31.34 C ATOM 560 CG HIS A 39 -5.810 0.056 -3.480 1.00 2.34 C ATOM 561 ND1 HIS A 39 -5.759 -1.268 -3.862 1.00 3.42 N ATOM 562 CD2 HIS A 39 -5.999 0.035 -2.130 1.00 15.33 C ATOM 563 CE1 HIS A 39 -5.904 -2.038 -2.799 1.00 11.20 C ATOM 564 NE2 HIS A 39 -6.050 -1.272 -1.744 1.00 3.44 N ATOM 0 H HIS A 39 -3.317 0.661 -3.780 1.00 34.04 H new ATOM 0 HA HIS A 39 -4.543 2.942 -5.085 1.00 70.41 H new ATOM 0 HB2 HIS A 39 -6.656 1.749 -4.488 1.00 31.34 H new ATOM 0 HB3 HIS A 39 -5.572 0.793 -5.480 1.00 31.34 H new ATOM 0 HD2 HIS A 39 -6.091 0.896 -1.484 1.00 15.33 H new ATOM 0 HE1 HIS A 39 -5.903 -3.118 -2.798 1.00 11.20 H new ATOM 0 HE2 HIS A 39 -6.181 -1.601 -0.788 1.00 3.44 H new ATOM 573 N GLY A 40 -5.317 4.273 -3.116 1.00 13.11 N ATOM 574 CA GLY A 40 -5.745 5.012 -1.956 1.00 65.14 C ATOM 575 C GLY A 40 -4.717 5.975 -1.451 1.00 55.15 C ATOM 576 O GLY A 40 -4.958 6.685 -0.474 1.00 72.42 O ATOM 0 H GLY A 40 -5.417 4.760 -4.007 1.00 13.11 H new ATOM 0 HA2 GLY A 40 -6.656 5.559 -2.199 1.00 65.14 H new ATOM 0 HA3 GLY A 40 -5.997 4.311 -1.160 1.00 65.14 H new ATOM 580 N TYR A 41 -3.570 6.005 -2.074 1.00 34.52 N ATOM 581 CA TYR A 41 -2.560 6.927 -1.703 1.00 65.31 C ATOM 582 C TYR A 41 -2.189 7.794 -2.854 1.00 45.14 C ATOM 583 O TYR A 41 -2.338 7.404 -3.999 1.00 72.31 O ATOM 584 CB TYR A 41 -1.338 6.212 -1.135 1.00 51.00 C ATOM 585 CG TYR A 41 -1.540 5.711 0.270 1.00 40.30 C ATOM 586 CD1 TYR A 41 -2.068 4.446 0.540 1.00 2.05 C ATOM 587 CD2 TYR A 41 -1.213 6.524 1.339 1.00 33.03 C ATOM 588 CE1 TYR A 41 -2.255 4.023 1.834 1.00 42.34 C ATOM 589 CE2 TYR A 41 -1.401 6.103 2.635 1.00 20.54 C ATOM 590 CZ TYR A 41 -1.923 4.852 2.877 1.00 42.32 C ATOM 591 OH TYR A 41 -2.110 4.428 4.176 1.00 64.42 O ATOM 0 H TYR A 41 -3.321 5.389 -2.848 1.00 34.52 H new ATOM 0 HA TYR A 41 -2.961 7.565 -0.915 1.00 65.31 H new ATOM 0 HB2 TYR A 41 -1.086 5.371 -1.780 1.00 51.00 H new ATOM 0 HB3 TYR A 41 -0.487 6.893 -1.152 1.00 51.00 H new ATOM 0 HD1 TYR A 41 -2.332 3.793 -0.278 1.00 2.05 H new ATOM 0 HD2 TYR A 41 -0.803 7.506 1.154 1.00 33.03 H new ATOM 0 HE1 TYR A 41 -2.662 3.042 2.030 1.00 42.34 H new ATOM 0 HE2 TYR A 41 -1.140 6.751 3.459 1.00 20.54 H new ATOM 0 HH TYR A 41 -1.824 5.132 4.794 1.00 64.42 H new ATOM 601 N HIS A 42 -1.743 8.978 -2.555 1.00 12.24 N ATOM 602 CA HIS A 42 -1.292 9.882 -3.568 1.00 43.04 C ATOM 603 C HIS A 42 0.137 10.293 -3.295 1.00 44.15 C ATOM 604 O HIS A 42 0.500 10.567 -2.160 1.00 73.51 O ATOM 605 CB HIS A 42 -2.208 11.133 -3.673 1.00 74.43 C ATOM 606 CG HIS A 42 -1.771 12.116 -4.740 1.00 53.01 C ATOM 607 ND1 HIS A 42 -1.869 13.487 -4.616 1.00 12.04 N ATOM 608 CD2 HIS A 42 -1.244 11.897 -5.959 1.00 33.54 C ATOM 609 CE1 HIS A 42 -1.419 14.056 -5.725 1.00 44.01 C ATOM 610 NE2 HIS A 42 -1.038 13.111 -6.544 1.00 71.54 N ATOM 0 H HIS A 42 -1.682 9.343 -1.604 1.00 12.24 H new ATOM 0 HA HIS A 42 -1.339 9.363 -4.525 1.00 43.04 H new ATOM 0 HB2 HIS A 42 -3.227 10.810 -3.884 1.00 74.43 H new ATOM 0 HB3 HIS A 42 -2.227 11.641 -2.709 1.00 74.43 H new ATOM 0 HD2 HIS A 42 -1.024 10.934 -6.395 1.00 33.54 H new ATOM 0 HE1 HIS A 42 -1.375 15.118 -5.919 1.00 44.01 H new ATOM 0 HE2 HIS A 42 -0.648 13.259 -7.475 1.00 71.54 H new ATOM 619 N ARG A 43 0.914 10.342 -4.348 1.00 35.21 N ATOM 620 CA ARG A 43 2.291 10.782 -4.321 1.00 35.11 C ATOM 621 C ARG A 43 2.330 12.307 -4.466 1.00 34.14 C ATOM 622 O ARG A 43 2.000 12.873 -5.503 1.00 41.33 O ATOM 623 CB ARG A 43 3.087 10.098 -5.467 1.00 61.21 C ATOM 624 CG ARG A 43 2.419 10.251 -6.831 1.00 64.22 C ATOM 625 CD ARG A 43 3.202 9.642 -7.977 1.00 2.22 C ATOM 626 NE ARG A 43 2.408 9.690 -9.213 1.00 42.11 N ATOM 627 CZ ARG A 43 2.731 9.124 -10.384 1.00 53.10 C ATOM 628 NH1 ARG A 43 3.962 8.704 -10.612 1.00 11.14 N ATOM 629 NH2 ARG A 43 1.827 9.049 -11.350 1.00 44.44 N ATOM 0 H ARG A 43 0.598 10.069 -5.278 1.00 35.21 H new ATOM 0 HA ARG A 43 2.753 10.503 -3.374 1.00 35.11 H new ATOM 0 HB2 ARG A 43 4.090 10.524 -5.510 1.00 61.21 H new ATOM 0 HB3 ARG A 43 3.200 9.038 -5.241 1.00 61.21 H new ATOM 0 HG2 ARG A 43 1.432 9.789 -6.794 1.00 64.22 H new ATOM 0 HG3 ARG A 43 2.267 11.312 -7.032 1.00 64.22 H new ATOM 0 HD2 ARG A 43 4.138 10.183 -8.116 1.00 2.22 H new ATOM 0 HD3 ARG A 43 3.462 8.610 -7.742 1.00 2.22 H new ATOM 0 HE ARG A 43 1.527 10.203 -9.176 1.00 42.11 H new ATOM 0 HH11 ARG A 43 4.678 8.809 -9.893 1.00 11.14 H new ATOM 0 HH12 ARG A 43 4.197 8.275 -11.507 1.00 11.14 H new ATOM 0 HH21 ARG A 43 0.889 9.421 -11.201 1.00 44.44 H new ATOM 0 HH22 ARG A 43 2.069 8.619 -12.243 1.00 44.44 H new ATOM 643 N TYR A 44 2.686 12.945 -3.393 1.00 72.24 N ATOM 644 CA TYR A 44 2.732 14.386 -3.312 1.00 43.15 C ATOM 645 C TYR A 44 3.924 14.980 -4.049 1.00 65.31 C ATOM 646 O TYR A 44 4.954 14.334 -4.218 1.00 71.30 O ATOM 647 CB TYR A 44 2.648 14.851 -1.858 1.00 4.40 C ATOM 648 CG TYR A 44 1.257 14.740 -1.248 1.00 60.14 C ATOM 649 CD1 TYR A 44 0.499 13.582 -1.360 1.00 31.12 C ATOM 650 CD2 TYR A 44 0.707 15.808 -0.565 1.00 64.24 C ATOM 651 CE1 TYR A 44 -0.765 13.500 -0.820 1.00 73.42 C ATOM 652 CE2 TYR A 44 -0.554 15.731 -0.015 1.00 2.34 C ATOM 653 CZ TYR A 44 -1.285 14.578 -0.147 1.00 70.43 C ATOM 654 OH TYR A 44 -2.549 14.509 0.382 1.00 70.43 O ATOM 0 H TYR A 44 2.959 12.476 -2.529 1.00 72.24 H new ATOM 0 HA TYR A 44 1.853 14.769 -3.830 1.00 43.15 H new ATOM 0 HB2 TYR A 44 3.343 14.263 -1.259 1.00 4.40 H new ATOM 0 HB3 TYR A 44 2.976 15.889 -1.800 1.00 4.40 H new ATOM 0 HD1 TYR A 44 0.909 12.729 -1.881 1.00 31.12 H new ATOM 0 HD2 TYR A 44 1.276 16.720 -0.460 1.00 64.24 H new ATOM 0 HE1 TYR A 44 -1.343 12.594 -0.925 1.00 73.42 H new ATOM 0 HE2 TYR A 44 -0.965 16.575 0.518 1.00 2.34 H new ATOM 0 HH TYR A 44 -2.937 13.630 0.190 1.00 70.43 H new ATOM 664 N LYS A 45 3.766 16.219 -4.459 1.00 44.11 N ATOM 665 CA LYS A 45 4.726 16.911 -5.316 1.00 65.22 C ATOM 666 C LYS A 45 5.854 17.627 -4.563 1.00 31.34 C ATOM 667 O LYS A 45 6.779 18.134 -5.207 1.00 12.45 O ATOM 668 CB LYS A 45 3.991 17.960 -6.133 1.00 24.33 C ATOM 669 CG LYS A 45 3.282 18.994 -5.258 1.00 35.30 C ATOM 670 CD LYS A 45 2.673 20.118 -6.059 1.00 1.53 C ATOM 671 CE LYS A 45 3.730 20.927 -6.790 1.00 74.33 C ATOM 672 NZ LYS A 45 3.147 22.087 -7.484 1.00 72.32 N ATOM 0 H LYS A 45 2.959 16.789 -4.208 1.00 44.11 H new ATOM 0 HA LYS A 45 5.186 16.135 -5.928 1.00 65.22 H new ATOM 0 HB2 LYS A 45 4.699 18.468 -6.788 1.00 24.33 H new ATOM 0 HB3 LYS A 45 3.259 17.469 -6.775 1.00 24.33 H new ATOM 0 HG2 LYS A 45 2.500 18.500 -4.681 1.00 35.30 H new ATOM 0 HG3 LYS A 45 3.993 19.407 -4.543 1.00 35.30 H new ATOM 0 HD2 LYS A 45 1.966 19.709 -6.780 1.00 1.53 H new ATOM 0 HD3 LYS A 45 2.109 20.773 -5.395 1.00 1.53 H new ATOM 0 HE2 LYS A 45 4.482 21.269 -6.079 1.00 74.33 H new ATOM 0 HE3 LYS A 45 4.240 20.290 -7.512 1.00 74.33 H new ATOM 0 HZ1 LYS A 45 3.899 22.614 -7.971 1.00 72.32 H new ATOM 0 HZ2 LYS A 45 2.447 21.759 -8.180 1.00 72.32 H new ATOM 0 HZ3 LYS A 45 2.682 22.708 -6.792 1.00 72.32 H new ATOM 686 N LEU A 46 5.784 17.694 -3.233 1.00 20.33 N ATOM 687 CA LEU A 46 6.772 18.475 -2.452 1.00 4.22 C ATOM 688 C LEU A 46 8.157 17.828 -2.395 1.00 11.01 C ATOM 689 O LEU A 46 8.566 17.298 -1.378 1.00 23.41 O ATOM 690 CB LEU A 46 6.282 18.909 -1.025 1.00 63.23 C ATOM 691 CG LEU A 46 5.996 17.816 0.045 1.00 51.00 C ATOM 692 CD1 LEU A 46 5.521 18.447 1.341 1.00 73.44 C ATOM 693 CD2 LEU A 46 4.988 16.810 -0.427 1.00 63.23 C ATOM 0 H LEU A 46 5.070 17.229 -2.672 1.00 20.33 H new ATOM 0 HA LEU A 46 6.872 19.396 -3.025 1.00 4.22 H new ATOM 0 HB2 LEU A 46 7.032 19.584 -0.612 1.00 63.23 H new ATOM 0 HB3 LEU A 46 5.368 19.489 -1.154 1.00 63.23 H new ATOM 0 HG LEU A 46 6.935 17.291 0.219 1.00 51.00 H new ATOM 0 HD11 LEU A 46 5.326 17.666 2.076 1.00 73.44 H new ATOM 0 HD12 LEU A 46 6.290 19.120 1.721 1.00 73.44 H new ATOM 0 HD13 LEU A 46 4.605 19.009 1.158 1.00 73.44 H new ATOM 0 HD21 LEU A 46 4.822 16.068 0.354 1.00 63.23 H new ATOM 0 HD22 LEU A 46 4.049 17.315 -0.654 1.00 63.23 H new ATOM 0 HD23 LEU A 46 5.360 16.315 -1.324 1.00 63.23 H new ATOM 705 N LYS A 47 8.872 17.891 -3.504 1.00 72.04 N ATOM 706 CA LYS A 47 10.168 17.255 -3.651 1.00 21.03 C ATOM 707 C LYS A 47 11.291 17.925 -2.899 1.00 31.33 C ATOM 708 O LYS A 47 12.441 17.483 -2.954 1.00 41.52 O ATOM 709 CB LYS A 47 10.498 17.013 -5.080 1.00 60.33 C ATOM 710 CG LYS A 47 10.394 18.201 -5.888 1.00 11.03 C ATOM 711 CD LYS A 47 10.597 17.873 -7.290 1.00 72.12 C ATOM 712 CE LYS A 47 10.377 19.089 -8.051 1.00 74.41 C ATOM 713 NZ LYS A 47 10.566 18.899 -9.495 1.00 21.33 N ATOM 0 H LYS A 47 8.565 18.392 -4.338 1.00 72.04 H new ATOM 0 HA LYS A 47 10.069 16.285 -3.164 1.00 21.03 H new ATOM 0 HB2 LYS A 47 11.511 16.618 -5.152 1.00 60.33 H new ATOM 0 HB3 LYS A 47 9.830 16.249 -5.478 1.00 60.33 H new ATOM 0 HG2 LYS A 47 9.414 18.658 -5.752 1.00 11.03 H new ATOM 0 HG3 LYS A 47 11.134 18.934 -5.567 1.00 11.03 H new ATOM 0 HD2 LYS A 47 11.605 17.493 -7.454 1.00 72.12 H new ATOM 0 HD3 LYS A 47 9.907 17.091 -7.606 1.00 72.12 H new ATOM 0 HE2 LYS A 47 9.365 19.450 -7.866 1.00 74.41 H new ATOM 0 HE3 LYS A 47 11.060 19.861 -7.698 1.00 74.41 H new ATOM 0 HZ1 LYS A 47 10.396 19.799 -9.989 1.00 21.33 H new ATOM 0 HZ2 LYS A 47 11.539 18.581 -9.679 1.00 21.33 H new ATOM 0 HZ3 LYS A 47 9.897 18.182 -9.841 1.00 21.33 H new ATOM 727 N GLY A 48 10.963 18.987 -2.182 1.00 53.44 N ATOM 728 CA GLY A 48 11.921 19.605 -1.303 1.00 34.40 C ATOM 729 C GLY A 48 12.119 18.732 -0.084 1.00 54.21 C ATOM 730 O GLY A 48 13.115 18.843 0.630 1.00 23.03 O ATOM 0 H GLY A 48 10.045 19.431 -2.196 1.00 53.44 H new ATOM 0 HA2 GLY A 48 12.869 19.745 -1.822 1.00 34.40 H new ATOM 0 HA3 GLY A 48 11.572 20.593 -1.004 1.00 34.40 H new ATOM 734 N LEU A 49 11.146 17.871 0.152 1.00 72.43 N ATOM 735 CA LEU A 49 11.200 16.891 1.208 1.00 31.13 C ATOM 736 C LEU A 49 11.883 15.619 0.685 1.00 70.14 C ATOM 737 O LEU A 49 11.932 15.403 -0.528 1.00 4.11 O ATOM 738 CB LEU A 49 9.779 16.603 1.776 1.00 64.14 C ATOM 739 CG LEU A 49 9.138 17.700 2.671 1.00 21.53 C ATOM 740 CD1 LEU A 49 9.984 17.949 3.907 1.00 25.32 C ATOM 741 CD2 LEU A 49 8.917 19.002 1.915 1.00 73.33 C ATOM 0 H LEU A 49 10.286 17.837 -0.395 1.00 72.43 H new ATOM 0 HA LEU A 49 11.791 17.281 2.037 1.00 31.13 H new ATOM 0 HB2 LEU A 49 9.110 16.419 0.936 1.00 64.14 H new ATOM 0 HB3 LEU A 49 9.827 15.680 2.354 1.00 64.14 H new ATOM 0 HG LEU A 49 8.160 17.328 2.978 1.00 21.53 H new ATOM 0 HD11 LEU A 49 9.516 18.720 4.519 1.00 25.32 H new ATOM 0 HD12 LEU A 49 10.065 17.028 4.484 1.00 25.32 H new ATOM 0 HD13 LEU A 49 10.979 18.278 3.607 1.00 25.32 H new ATOM 0 HD21 LEU A 49 8.467 19.738 2.582 1.00 73.33 H new ATOM 0 HD22 LEU A 49 9.873 19.378 1.551 1.00 73.33 H new ATOM 0 HD23 LEU A 49 8.252 18.824 1.070 1.00 73.33 H new ATOM 753 N PRO A 50 12.438 14.786 1.570 1.00 73.12 N ATOM 754 CA PRO A 50 13.190 13.588 1.169 1.00 14.34 C ATOM 755 C PRO A 50 12.323 12.464 0.571 1.00 63.32 C ATOM 756 O PRO A 50 11.578 11.798 1.291 1.00 13.14 O ATOM 757 CB PRO A 50 13.854 13.133 2.468 1.00 22.13 C ATOM 758 CG PRO A 50 12.986 13.664 3.558 1.00 14.21 C ATOM 759 CD PRO A 50 12.388 14.939 3.041 1.00 62.31 C ATOM 0 HA PRO A 50 13.889 13.820 0.366 1.00 14.34 H new ATOM 0 HB2 PRO A 50 13.924 12.046 2.515 1.00 22.13 H new ATOM 0 HB3 PRO A 50 14.869 13.522 2.548 1.00 22.13 H new ATOM 0 HG2 PRO A 50 12.207 12.947 3.818 1.00 14.21 H new ATOM 0 HG3 PRO A 50 13.566 13.846 4.463 1.00 14.21 H new ATOM 0 HD2 PRO A 50 11.365 15.072 3.394 1.00 62.31 H new ATOM 0 HD3 PRO A 50 12.955 15.809 3.372 1.00 62.31 H new ATOM 767 N TYR A 51 12.425 12.298 -0.771 1.00 54.10 N ATOM 768 CA TYR A 51 11.692 11.255 -1.553 1.00 31.53 C ATOM 769 C TYR A 51 10.217 11.189 -1.148 1.00 13.11 C ATOM 770 O TYR A 51 9.760 10.235 -0.511 1.00 2.20 O ATOM 771 CB TYR A 51 12.399 9.897 -1.483 1.00 52.31 C ATOM 772 CG TYR A 51 13.817 9.981 -2.000 1.00 12.24 C ATOM 773 CD1 TYR A 51 14.087 9.892 -3.359 1.00 12.04 C ATOM 774 CD2 TYR A 51 14.881 10.189 -1.133 1.00 65.21 C ATOM 775 CE1 TYR A 51 15.377 10.001 -3.835 1.00 42.22 C ATOM 776 CE2 TYR A 51 16.172 10.307 -1.600 1.00 75.51 C ATOM 777 CZ TYR A 51 16.414 10.212 -2.950 1.00 2.11 C ATOM 778 OH TYR A 51 17.698 10.335 -3.421 1.00 54.41 O ATOM 0 H TYR A 51 13.022 12.887 -1.352 1.00 54.10 H new ATOM 0 HA TYR A 51 11.707 11.547 -2.603 1.00 31.53 H new ATOM 0 HB2 TYR A 51 12.407 9.543 -0.452 1.00 52.31 H new ATOM 0 HB3 TYR A 51 11.841 9.165 -2.067 1.00 52.31 H new ATOM 0 HD1 TYR A 51 13.275 9.735 -4.054 1.00 12.04 H new ATOM 0 HD2 TYR A 51 14.693 10.260 -0.072 1.00 65.21 H new ATOM 0 HE1 TYR A 51 15.574 9.922 -4.894 1.00 42.22 H new ATOM 0 HE2 TYR A 51 16.987 10.473 -0.911 1.00 75.51 H new ATOM 0 HH TYR A 51 18.310 10.481 -2.669 1.00 54.41 H new ATOM 788 N PRO A 52 9.484 12.231 -1.502 1.00 4.34 N ATOM 789 CA PRO A 52 8.145 12.499 -0.993 1.00 61.42 C ATOM 790 C PRO A 52 6.996 12.356 -1.962 1.00 71.32 C ATOM 791 O PRO A 52 7.180 12.463 -3.180 1.00 15.24 O ATOM 792 CB PRO A 52 8.301 13.986 -0.754 1.00 44.35 C ATOM 793 CG PRO A 52 9.223 14.480 -1.829 1.00 41.52 C ATOM 794 CD PRO A 52 9.908 13.291 -2.408 1.00 51.41 C ATOM 0 HA PRO A 52 7.891 11.815 -0.183 1.00 61.42 H new ATOM 0 HB2 PRO A 52 7.337 14.493 -0.803 1.00 44.35 H new ATOM 0 HB3 PRO A 52 8.714 14.181 0.235 1.00 44.35 H new ATOM 0 HG2 PRO A 52 8.665 15.014 -2.598 1.00 41.52 H new ATOM 0 HG3 PRO A 52 9.951 15.180 -1.419 1.00 41.52 H new ATOM 0 HD2 PRO A 52 9.597 13.100 -3.435 1.00 51.41 H new ATOM 0 HD3 PRO A 52 10.992 13.409 -2.420 1.00 51.41 H new ATOM 802 N CYS A 53 5.786 12.065 -1.481 1.00 32.15 N ATOM 803 CA CYS A 53 5.387 11.506 -0.147 1.00 74.22 C ATOM 804 C CYS A 53 4.062 10.848 -0.457 1.00 23.40 C ATOM 805 O CYS A 53 3.485 11.173 -1.500 1.00 30.21 O ATOM 806 CB CYS A 53 5.067 12.561 0.981 1.00 14.24 C ATOM 807 SG CYS A 53 6.361 13.676 1.520 1.00 42.24 S ATOM 0 H CYS A 53 4.962 12.224 -2.061 1.00 32.15 H new ATOM 0 HA CYS A 53 6.206 10.896 0.234 1.00 74.22 H new ATOM 0 HB2 CYS A 53 4.232 13.169 0.635 1.00 14.24 H new ATOM 0 HB3 CYS A 53 4.720 12.012 1.856 1.00 14.24 H new ATOM 0 HG CYS A 53 6.634 13.452 2.771 1.00 42.24 H new ATOM 813 N ILE A 54 3.549 9.971 0.363 1.00 32.21 N ATOM 814 CA ILE A 54 2.188 9.534 0.121 1.00 31.23 C ATOM 815 C ILE A 54 1.290 9.755 1.307 1.00 72.20 C ATOM 816 O ILE A 54 1.683 9.555 2.465 1.00 3.43 O ATOM 817 CB ILE A 54 1.989 8.093 -0.432 1.00 5.45 C ATOM 818 CG1 ILE A 54 2.517 7.003 0.510 1.00 63.43 C ATOM 819 CG2 ILE A 54 2.520 7.952 -1.846 1.00 51.31 C ATOM 820 CD1 ILE A 54 2.216 5.592 0.036 1.00 40.55 C ATOM 0 H ILE A 54 4.019 9.558 1.168 1.00 32.21 H new ATOM 0 HA ILE A 54 1.895 10.188 -0.701 1.00 31.23 H new ATOM 0 HB ILE A 54 0.912 7.932 -0.481 1.00 5.45 H new ATOM 0 HG12 ILE A 54 3.595 7.119 0.618 1.00 63.43 H new ATOM 0 HG13 ILE A 54 2.081 7.146 1.499 1.00 63.43 H new ATOM 0 HG21 ILE A 54 2.361 6.931 -2.194 1.00 51.31 H new ATOM 0 HG22 ILE A 54 1.994 8.645 -2.503 1.00 51.31 H new ATOM 0 HG23 ILE A 54 3.586 8.178 -1.858 1.00 51.31 H new ATOM 0 HD11 ILE A 54 2.619 4.874 0.751 1.00 40.55 H new ATOM 0 HD12 ILE A 54 1.137 5.458 -0.045 1.00 40.55 H new ATOM 0 HD13 ILE A 54 2.676 5.430 -0.939 1.00 40.55 H new ATOM 832 N VAL A 55 0.102 10.207 1.003 1.00 14.11 N ATOM 833 CA VAL A 55 -0.956 10.444 1.962 1.00 34.13 C ATOM 834 C VAL A 55 -2.223 9.880 1.337 1.00 24.50 C ATOM 835 O VAL A 55 -2.299 9.789 0.096 1.00 53.53 O ATOM 836 CB VAL A 55 -1.138 11.976 2.251 1.00 71.21 C ATOM 837 CG1 VAL A 55 -2.258 12.231 3.246 1.00 2.05 C ATOM 838 CG2 VAL A 55 0.156 12.595 2.758 1.00 2.02 C ATOM 0 H VAL A 55 -0.170 10.430 0.046 1.00 14.11 H new ATOM 0 HA VAL A 55 -0.722 9.971 2.916 1.00 34.13 H new ATOM 0 HB VAL A 55 -1.408 12.448 1.306 1.00 71.21 H new ATOM 0 HG11 VAL A 55 -2.353 13.303 3.420 1.00 2.05 H new ATOM 0 HG12 VAL A 55 -3.195 11.844 2.846 1.00 2.05 H new ATOM 0 HG13 VAL A 55 -2.030 11.729 4.187 1.00 2.05 H new ATOM 0 HG21 VAL A 55 0.001 13.657 2.950 1.00 2.02 H new ATOM 0 HG22 VAL A 55 0.459 12.100 3.681 1.00 2.02 H new ATOM 0 HG23 VAL A 55 0.937 12.472 2.007 1.00 2.02 H new ATOM 848 N SER A 56 -3.174 9.478 2.149 1.00 25.01 N ATOM 849 CA SER A 56 -4.379 8.868 1.662 1.00 52.24 C ATOM 850 C SER A 56 -5.233 9.841 0.843 1.00 25.55 C ATOM 851 O SER A 56 -5.409 11.019 1.191 1.00 72.40 O ATOM 852 CB SER A 56 -5.197 8.249 2.816 1.00 44.11 C ATOM 853 OG SER A 56 -6.350 7.555 2.336 1.00 43.32 O ATOM 0 H SER A 56 -3.129 9.567 3.164 1.00 25.01 H new ATOM 0 HA SER A 56 -4.077 8.065 0.990 1.00 52.24 H new ATOM 0 HB2 SER A 56 -4.567 7.561 3.380 1.00 44.11 H new ATOM 0 HB3 SER A 56 -5.506 9.035 3.505 1.00 44.11 H new ATOM 0 HG SER A 56 -6.162 7.184 1.449 1.00 43.32 H new ATOM 859 N SER A 57 -5.710 9.328 -0.242 1.00 22.31 N ATOM 860 CA SER A 57 -6.593 9.975 -1.145 1.00 63.03 C ATOM 861 C SER A 57 -7.288 8.829 -1.851 1.00 53.02 C ATOM 862 O SER A 57 -6.681 8.161 -2.670 1.00 73.51 O ATOM 863 CB SER A 57 -5.793 10.844 -2.136 1.00 4.21 C ATOM 864 OG SER A 57 -6.640 11.596 -2.990 1.00 34.32 O ATOM 0 H SER A 57 -5.475 8.381 -0.538 1.00 22.31 H new ATOM 0 HA SER A 57 -7.299 10.646 -0.656 1.00 63.03 H new ATOM 0 HB2 SER A 57 -5.144 11.522 -1.581 1.00 4.21 H new ATOM 0 HB3 SER A 57 -5.147 10.205 -2.738 1.00 4.21 H new ATOM 0 HG SER A 57 -6.094 12.134 -3.601 1.00 34.32 H new ATOM 870 N ASP A 58 -8.527 8.576 -1.491 1.00 24.22 N ATOM 871 CA ASP A 58 -9.240 7.362 -1.923 1.00 32.24 C ATOM 872 C ASP A 58 -9.335 7.199 -3.448 1.00 71.13 C ATOM 873 O ASP A 58 -9.210 6.095 -3.961 1.00 33.42 O ATOM 874 CB ASP A 58 -10.614 7.261 -1.253 1.00 40.05 C ATOM 875 CG ASP A 58 -11.333 5.965 -1.570 1.00 51.33 C ATOM 876 OD1 ASP A 58 -11.068 4.941 -0.896 1.00 52.34 O ATOM 877 OD2 ASP A 58 -12.172 5.951 -2.479 1.00 11.42 O ATOM 0 H ASP A 58 -9.079 9.193 -0.894 1.00 24.22 H new ATOM 0 HA ASP A 58 -8.630 6.524 -1.587 1.00 32.24 H new ATOM 0 HB2 ASP A 58 -10.493 7.348 -0.173 1.00 40.05 H new ATOM 0 HB3 ASP A 58 -11.231 8.100 -1.574 1.00 40.05 H new ATOM 882 N SER A 59 -9.519 8.279 -4.166 1.00 71.14 N ATOM 883 CA SER A 59 -9.597 8.192 -5.617 1.00 42.35 C ATOM 884 C SER A 59 -8.208 8.257 -6.273 1.00 62.41 C ATOM 885 O SER A 59 -8.081 8.157 -7.492 1.00 34.33 O ATOM 886 CB SER A 59 -10.525 9.271 -6.168 1.00 63.32 C ATOM 887 OG SER A 59 -11.837 9.109 -5.639 1.00 24.44 O ATOM 0 H SER A 59 -9.617 9.220 -3.784 1.00 71.14 H new ATOM 0 HA SER A 59 -10.017 7.218 -5.869 1.00 42.35 H new ATOM 0 HB2 SER A 59 -10.140 10.258 -5.910 1.00 63.32 H new ATOM 0 HB3 SER A 59 -10.554 9.215 -7.256 1.00 63.32 H new ATOM 0 HG SER A 59 -11.995 8.162 -5.441 1.00 24.44 H new ATOM 893 N GLY A 60 -7.179 8.379 -5.462 1.00 63.52 N ATOM 894 CA GLY A 60 -5.846 8.479 -5.979 1.00 51.40 C ATOM 895 C GLY A 60 -5.090 7.204 -5.797 1.00 71.21 C ATOM 896 O GLY A 60 -5.319 6.480 -4.826 1.00 24.10 O ATOM 0 H GLY A 60 -7.247 8.411 -4.445 1.00 63.52 H new ATOM 0 HA2 GLY A 60 -5.884 8.732 -7.038 1.00 51.40 H new ATOM 0 HA3 GLY A 60 -5.320 9.290 -5.476 1.00 51.40 H new ATOM 900 N LYS A 61 -4.213 6.893 -6.720 1.00 71.43 N ATOM 901 CA LYS A 61 -3.408 5.704 -6.598 1.00 51.15 C ATOM 902 C LYS A 61 -1.998 6.007 -7.071 1.00 35.44 C ATOM 903 O LYS A 61 -1.795 6.900 -7.899 1.00 43.55 O ATOM 904 CB LYS A 61 -3.986 4.524 -7.397 1.00 11.21 C ATOM 905 CG LYS A 61 -5.478 4.246 -7.173 1.00 71.41 C ATOM 906 CD LYS A 61 -5.901 2.903 -7.750 1.00 15.13 C ATOM 907 CE LYS A 61 -5.364 2.709 -9.142 1.00 54.41 C ATOM 908 NZ LYS A 61 -5.850 1.460 -9.772 1.00 72.25 N ATOM 0 H LYS A 61 -4.039 7.444 -7.560 1.00 71.43 H new ATOM 0 HA LYS A 61 -3.402 5.409 -5.549 1.00 51.15 H new ATOM 0 HB2 LYS A 61 -3.824 4.712 -8.458 1.00 11.21 H new ATOM 0 HB3 LYS A 61 -3.424 3.625 -7.143 1.00 11.21 H new ATOM 0 HG2 LYS A 61 -5.694 4.266 -6.105 1.00 71.41 H new ATOM 0 HG3 LYS A 61 -6.067 5.040 -7.632 1.00 71.41 H new ATOM 0 HD2 LYS A 61 -5.544 2.100 -7.106 1.00 15.13 H new ATOM 0 HD3 LYS A 61 -6.989 2.839 -7.766 1.00 15.13 H new ATOM 0 HE2 LYS A 61 -5.652 3.559 -9.760 1.00 54.41 H new ATOM 0 HE3 LYS A 61 -4.275 2.694 -9.108 1.00 54.41 H new ATOM 0 HZ1 LYS A 61 -5.385 1.332 -10.694 1.00 72.25 H new ATOM 0 HZ2 LYS A 61 -5.627 0.651 -9.157 1.00 72.25 H new ATOM 0 HZ3 LYS A 61 -6.879 1.518 -9.909 1.00 72.25 H new ATOM 922 N VAL A 62 -1.043 5.289 -6.551 1.00 41.31 N ATOM 923 CA VAL A 62 0.349 5.501 -6.880 1.00 12.13 C ATOM 924 C VAL A 62 0.893 4.283 -7.602 1.00 40.21 C ATOM 925 O VAL A 62 0.858 3.183 -7.067 1.00 21.11 O ATOM 926 CB VAL A 62 1.164 5.710 -5.586 1.00 42.32 C ATOM 927 CG1 VAL A 62 2.623 6.020 -5.889 1.00 41.42 C ATOM 928 CG2 VAL A 62 0.556 6.801 -4.752 1.00 22.32 C ATOM 0 H VAL A 62 -1.203 4.535 -5.883 1.00 41.31 H new ATOM 0 HA VAL A 62 0.431 6.381 -7.518 1.00 12.13 H new ATOM 0 HB VAL A 62 1.134 4.778 -5.021 1.00 42.32 H new ATOM 0 HG11 VAL A 62 3.167 6.161 -4.955 1.00 41.42 H new ATOM 0 HG12 VAL A 62 3.063 5.191 -6.443 1.00 41.42 H new ATOM 0 HG13 VAL A 62 2.685 6.930 -6.486 1.00 41.42 H new ATOM 0 HG21 VAL A 62 1.143 6.935 -3.844 1.00 22.32 H new ATOM 0 HG22 VAL A 62 0.548 7.732 -5.320 1.00 22.32 H new ATOM 0 HG23 VAL A 62 -0.466 6.530 -4.487 1.00 22.32 H new ATOM 938 N ASN A 63 1.408 4.473 -8.791 1.00 13.13 N ATOM 939 CA ASN A 63 1.948 3.359 -9.561 1.00 3.43 C ATOM 940 C ASN A 63 3.456 3.299 -9.366 1.00 44.35 C ATOM 941 O ASN A 63 4.162 4.272 -9.645 1.00 35.32 O ATOM 942 CB ASN A 63 1.601 3.516 -11.059 1.00 45.41 C ATOM 943 CG ASN A 63 1.998 2.305 -11.911 1.00 2.33 C ATOM 944 OD1 ASN A 63 1.211 1.368 -12.084 1.00 32.10 O ATOM 945 ND2 ASN A 63 3.192 2.322 -12.466 1.00 1.25 N ATOM 0 H ASN A 63 1.469 5.380 -9.253 1.00 13.13 H new ATOM 0 HA ASN A 63 1.502 2.429 -9.209 1.00 3.43 H new ATOM 0 HB2 ASN A 63 0.529 3.684 -11.159 1.00 45.41 H new ATOM 0 HB3 ASN A 63 2.101 4.403 -11.448 1.00 45.41 H new ATOM 0 HD21 ASN A 63 3.490 1.547 -13.058 1.00 1.25 H new ATOM 0 HD22 ASN A 63 3.819 3.110 -12.304 1.00 1.25 H new ATOM 952 N GLY A 64 3.936 2.184 -8.869 1.00 51.23 N ATOM 953 CA GLY A 64 5.346 2.020 -8.620 1.00 54.13 C ATOM 954 C GLY A 64 5.745 0.569 -8.708 1.00 42.23 C ATOM 955 O GLY A 64 5.212 -0.177 -9.538 1.00 44.20 O ATOM 0 H GLY A 64 3.366 1.373 -8.628 1.00 51.23 H new ATOM 0 HA2 GLY A 64 5.917 2.602 -9.343 1.00 54.13 H new ATOM 0 HA3 GLY A 64 5.592 2.409 -7.632 1.00 54.13 H new ATOM 959 N LYS A 65 6.665 0.149 -7.866 1.00 54.04 N ATOM 960 CA LYS A 65 7.115 -1.230 -7.865 1.00 43.02 C ATOM 961 C LYS A 65 7.312 -1.672 -6.444 1.00 3.22 C ATOM 962 O LYS A 65 7.745 -0.882 -5.596 1.00 10.31 O ATOM 963 CB LYS A 65 8.442 -1.401 -8.655 1.00 50.14 C ATOM 964 CG LYS A 65 8.373 -0.876 -10.094 1.00 34.24 C ATOM 965 CD LYS A 65 9.693 -0.974 -10.845 1.00 34.34 C ATOM 966 CE LYS A 65 10.132 -2.409 -11.089 1.00 5.25 C ATOM 967 NZ LYS A 65 11.383 -2.474 -11.898 1.00 65.40 N ATOM 0 H LYS A 65 7.118 0.743 -7.171 1.00 54.04 H new ATOM 0 HA LYS A 65 6.358 -1.842 -8.355 1.00 43.02 H new ATOM 0 HB2 LYS A 65 9.240 -0.880 -8.125 1.00 50.14 H new ATOM 0 HB3 LYS A 65 8.709 -2.458 -8.675 1.00 50.14 H new ATOM 0 HG2 LYS A 65 7.613 -1.435 -10.639 1.00 34.24 H new ATOM 0 HG3 LYS A 65 8.052 0.165 -10.076 1.00 34.24 H new ATOM 0 HD2 LYS A 65 9.599 -0.461 -11.802 1.00 34.34 H new ATOM 0 HD3 LYS A 65 10.466 -0.454 -10.279 1.00 34.34 H new ATOM 0 HE2 LYS A 65 10.291 -2.908 -10.133 1.00 5.25 H new ATOM 0 HE3 LYS A 65 9.338 -2.950 -11.603 1.00 5.25 H new ATOM 0 HZ1 LYS A 65 11.445 -3.399 -12.368 1.00 65.40 H new ATOM 0 HZ2 LYS A 65 11.372 -1.721 -12.615 1.00 65.40 H new ATOM 0 HZ3 LYS A 65 12.206 -2.347 -11.275 1.00 65.40 H new ATOM 981 N VAL A 66 6.984 -2.897 -6.169 1.00 54.10 N ATOM 982 CA VAL A 66 7.170 -3.430 -4.856 1.00 42.43 C ATOM 983 C VAL A 66 8.357 -4.344 -4.818 1.00 54.41 C ATOM 984 O VAL A 66 8.540 -5.185 -5.706 1.00 10.54 O ATOM 985 CB VAL A 66 5.916 -4.133 -4.261 1.00 34.32 C ATOM 986 CG1 VAL A 66 4.812 -3.141 -4.048 1.00 63.01 C ATOM 987 CG2 VAL A 66 5.425 -5.256 -5.147 1.00 45.34 C ATOM 0 H VAL A 66 6.583 -3.550 -6.842 1.00 54.10 H new ATOM 0 HA VAL A 66 7.351 -2.567 -4.216 1.00 42.43 H new ATOM 0 HB VAL A 66 6.211 -4.563 -3.304 1.00 34.32 H new ATOM 0 HG11 VAL A 66 3.942 -3.649 -3.631 1.00 63.01 H new ATOM 0 HG12 VAL A 66 5.146 -2.367 -3.357 1.00 63.01 H new ATOM 0 HG13 VAL A 66 4.544 -2.685 -5.001 1.00 63.01 H new ATOM 0 HG21 VAL A 66 4.548 -5.720 -4.695 1.00 45.34 H new ATOM 0 HG22 VAL A 66 5.160 -4.857 -6.126 1.00 45.34 H new ATOM 0 HG23 VAL A 66 6.212 -6.001 -5.260 1.00 45.34 H new ATOM 997 N ILE A 67 9.162 -4.168 -3.818 1.00 32.23 N ATOM 998 CA ILE A 67 10.351 -4.947 -3.634 1.00 44.10 C ATOM 999 C ILE A 67 9.893 -6.171 -2.881 1.00 34.35 C ATOM 1000 O ILE A 67 9.483 -6.071 -1.726 1.00 71.30 O ATOM 1001 CB ILE A 67 11.361 -4.177 -2.731 1.00 42.42 C ATOM 1002 CG1 ILE A 67 11.428 -2.705 -3.117 1.00 74.45 C ATOM 1003 CG2 ILE A 67 12.761 -4.778 -2.866 1.00 71.41 C ATOM 1004 CD1 ILE A 67 12.223 -1.898 -2.130 1.00 42.44 C ATOM 0 H ILE A 67 9.011 -3.467 -3.092 1.00 32.23 H new ATOM 0 HA ILE A 67 10.836 -5.173 -4.584 1.00 44.10 H new ATOM 0 HB ILE A 67 11.013 -4.266 -1.702 1.00 42.42 H new ATOM 0 HG12 ILE A 67 11.875 -2.610 -4.106 1.00 74.45 H new ATOM 0 HG13 ILE A 67 10.418 -2.302 -3.184 1.00 74.45 H new ATOM 0 HG21 ILE A 67 13.455 -4.230 -2.229 1.00 71.41 H new ATOM 0 HG22 ILE A 67 12.739 -5.824 -2.562 1.00 71.41 H new ATOM 0 HG23 ILE A 67 13.088 -4.709 -3.903 1.00 71.41 H new ATOM 0 HD11 ILE A 67 12.244 -0.855 -2.446 1.00 42.44 H new ATOM 0 HD12 ILE A 67 11.761 -1.970 -1.145 1.00 42.44 H new ATOM 0 HD13 ILE A 67 13.242 -2.283 -2.082 1.00 42.44 H new ATOM 1016 N THR A 68 9.904 -7.297 -3.532 1.00 14.52 N ATOM 1017 CA THR A 68 9.346 -8.486 -2.946 1.00 12.12 C ATOM 1018 C THR A 68 10.408 -9.406 -2.399 1.00 73.12 C ATOM 1019 O THR A 68 11.590 -9.282 -2.748 1.00 24.10 O ATOM 1020 CB THR A 68 8.472 -9.257 -3.959 1.00 21.33 C ATOM 1021 OG1 THR A 68 9.248 -9.606 -5.133 1.00 60.21 O ATOM 1022 CG2 THR A 68 7.266 -8.432 -4.377 1.00 3.54 C ATOM 0 H THR A 68 10.292 -7.420 -4.467 1.00 14.52 H new ATOM 0 HA THR A 68 8.723 -8.151 -2.117 1.00 12.12 H new ATOM 0 HB THR A 68 8.123 -10.167 -3.472 1.00 21.33 H new ATOM 0 HG1 THR A 68 9.740 -8.818 -5.446 1.00 60.21 H new ATOM 0 HG21 THR A 68 6.667 -8.998 -5.091 1.00 3.54 H new ATOM 0 HG22 THR A 68 6.662 -8.200 -3.500 1.00 3.54 H new ATOM 0 HG23 THR A 68 7.603 -7.505 -4.841 1.00 3.54 H new ATOM 1030 N GLY A 69 9.985 -10.326 -1.544 1.00 24.33 N ATOM 1031 CA GLY A 69 10.881 -11.313 -0.995 1.00 14.11 C ATOM 1032 C GLY A 69 11.919 -10.699 -0.100 1.00 50.33 C ATOM 1033 O GLY A 69 13.107 -10.968 -0.236 1.00 10.25 O ATOM 0 H GLY A 69 9.021 -10.403 -1.219 1.00 24.33 H new ATOM 0 HA2 GLY A 69 10.307 -12.049 -0.432 1.00 14.11 H new ATOM 0 HA3 GLY A 69 11.374 -11.847 -1.808 1.00 14.11 H new ATOM 1037 N VAL A 70 11.490 -9.851 0.783 1.00 71.30 N ATOM 1038 CA VAL A 70 12.391 -9.216 1.709 1.00 55.43 C ATOM 1039 C VAL A 70 12.213 -9.845 3.086 1.00 40.24 C ATOM 1040 O VAL A 70 11.119 -9.881 3.596 1.00 11.15 O ATOM 1041 CB VAL A 70 12.092 -7.687 1.800 1.00 21.12 C ATOM 1042 CG1 VAL A 70 13.075 -6.995 2.707 1.00 22.31 C ATOM 1043 CG2 VAL A 70 12.103 -7.046 0.417 1.00 41.21 C ATOM 0 H VAL A 70 10.513 -9.577 0.886 1.00 71.30 H new ATOM 0 HA VAL A 70 13.414 -9.354 1.360 1.00 55.43 H new ATOM 0 HB VAL A 70 11.095 -7.570 2.225 1.00 21.12 H new ATOM 0 HG11 VAL A 70 12.842 -5.931 2.751 1.00 22.31 H new ATOM 0 HG12 VAL A 70 13.010 -7.423 3.708 1.00 22.31 H new ATOM 0 HG13 VAL A 70 14.085 -7.130 2.320 1.00 22.31 H new ATOM 0 HG21 VAL A 70 11.892 -5.981 0.508 1.00 41.21 H new ATOM 0 HG22 VAL A 70 13.083 -7.184 -0.040 1.00 41.21 H new ATOM 0 HG23 VAL A 70 11.342 -7.514 -0.207 1.00 41.21 H new ATOM 1053 N SER A 71 13.253 -10.376 3.664 1.00 14.11 N ATOM 1054 CA SER A 71 13.131 -10.885 5.014 1.00 41.04 C ATOM 1055 C SER A 71 13.159 -9.699 5.998 1.00 40.31 C ATOM 1056 O SER A 71 13.622 -8.626 5.638 1.00 41.54 O ATOM 1057 CB SER A 71 14.245 -11.892 5.318 1.00 21.41 C ATOM 1058 OG SER A 71 14.188 -13.001 4.432 1.00 21.13 O ATOM 0 H SER A 71 14.176 -10.470 3.241 1.00 14.11 H new ATOM 0 HA SER A 71 12.184 -11.414 5.123 1.00 41.04 H new ATOM 0 HB2 SER A 71 15.215 -11.403 5.231 1.00 21.41 H new ATOM 0 HB3 SER A 71 14.154 -12.240 6.347 1.00 21.41 H new ATOM 0 HG SER A 71 14.910 -13.628 4.646 1.00 21.13 H new ATOM 1064 N ASP A 72 12.643 -9.880 7.207 1.00 53.22 N ATOM 1065 CA ASP A 72 12.615 -8.777 8.238 1.00 72.40 C ATOM 1066 C ASP A 72 13.992 -8.192 8.488 1.00 70.41 C ATOM 1067 O ASP A 72 14.137 -6.998 8.709 1.00 23.51 O ATOM 1068 CB ASP A 72 11.980 -9.208 9.590 1.00 51.00 C ATOM 1069 CG ASP A 72 12.751 -10.264 10.338 1.00 73.43 C ATOM 1070 OD1 ASP A 72 12.522 -11.460 10.089 1.00 13.22 O ATOM 1071 OD2 ASP A 72 13.602 -9.908 11.189 1.00 51.33 O ATOM 0 H ASP A 72 12.235 -10.760 7.524 1.00 53.22 H new ATOM 0 HA ASP A 72 11.975 -8.009 7.804 1.00 72.40 H new ATOM 0 HB2 ASP A 72 11.882 -8.329 10.227 1.00 51.00 H new ATOM 0 HB3 ASP A 72 10.972 -9.578 9.401 1.00 51.00 H new ATOM 1076 N ALA A 73 14.978 -9.029 8.444 1.00 12.42 N ATOM 1077 CA ALA A 73 16.372 -8.608 8.633 1.00 21.12 C ATOM 1078 C ALA A 73 16.824 -7.713 7.480 1.00 70.31 C ATOM 1079 O ALA A 73 17.592 -6.770 7.662 1.00 12.21 O ATOM 1080 CB ALA A 73 17.281 -9.822 8.749 1.00 14.22 C ATOM 0 H ALA A 73 14.863 -10.029 8.277 1.00 12.42 H new ATOM 0 HA ALA A 73 16.436 -8.036 9.558 1.00 21.12 H new ATOM 0 HB1 ALA A 73 18.311 -9.493 8.889 1.00 14.22 H new ATOM 0 HB2 ALA A 73 16.974 -10.426 9.603 1.00 14.22 H new ATOM 0 HB3 ALA A 73 17.211 -10.418 7.839 1.00 14.22 H new ATOM 1086 N GLU A 74 16.330 -8.018 6.308 1.00 45.43 N ATOM 1087 CA GLU A 74 16.629 -7.267 5.107 1.00 62.43 C ATOM 1088 C GLU A 74 15.828 -5.979 5.090 1.00 52.35 C ATOM 1089 O GLU A 74 16.318 -4.925 4.672 1.00 5.33 O ATOM 1090 CB GLU A 74 16.300 -8.120 3.884 1.00 25.32 C ATOM 1091 CG GLU A 74 17.028 -9.451 3.868 1.00 43.21 C ATOM 1092 CD GLU A 74 18.527 -9.295 3.916 1.00 44.52 C ATOM 1093 OE1 GLU A 74 19.072 -9.101 5.008 1.00 32.01 O ATOM 1094 OE2 GLU A 74 19.168 -9.364 2.868 1.00 40.13 O ATOM 0 H GLU A 74 15.700 -8.805 6.154 1.00 45.43 H new ATOM 0 HA GLU A 74 17.689 -7.012 5.088 1.00 62.43 H new ATOM 0 HB2 GLU A 74 15.226 -8.301 3.854 1.00 25.32 H new ATOM 0 HB3 GLU A 74 16.555 -7.563 2.982 1.00 25.32 H new ATOM 0 HG2 GLU A 74 16.702 -10.049 4.719 1.00 43.21 H new ATOM 0 HG3 GLU A 74 16.753 -10.000 2.968 1.00 43.21 H new ATOM 1101 N LEU A 75 14.593 -6.078 5.579 1.00 30.35 N ATOM 1102 CA LEU A 75 13.653 -4.969 5.640 1.00 44.14 C ATOM 1103 C LEU A 75 14.244 -3.839 6.480 1.00 43.30 C ATOM 1104 O LEU A 75 14.053 -2.653 6.186 1.00 32.11 O ATOM 1105 CB LEU A 75 12.281 -5.494 6.180 1.00 62.14 C ATOM 1106 CG LEU A 75 11.047 -4.542 6.206 1.00 70.52 C ATOM 1107 CD1 LEU A 75 11.155 -3.466 7.274 1.00 72.40 C ATOM 1108 CD2 LEU A 75 10.851 -3.905 4.849 1.00 61.25 C ATOM 0 H LEU A 75 14.214 -6.949 5.950 1.00 30.35 H new ATOM 0 HA LEU A 75 13.471 -4.554 4.649 1.00 44.14 H new ATOM 0 HB2 LEU A 75 12.008 -6.365 5.584 1.00 62.14 H new ATOM 0 HB3 LEU A 75 12.444 -5.844 7.199 1.00 62.14 H new ATOM 0 HG LEU A 75 10.181 -5.155 6.456 1.00 70.52 H new ATOM 0 HD11 LEU A 75 10.268 -2.834 7.244 1.00 72.40 H new ATOM 0 HD12 LEU A 75 11.235 -3.934 8.255 1.00 72.40 H new ATOM 0 HD13 LEU A 75 12.040 -2.858 7.089 1.00 72.40 H new ATOM 0 HD21 LEU A 75 9.986 -3.242 4.880 1.00 61.25 H new ATOM 0 HD22 LEU A 75 11.739 -3.331 4.585 1.00 61.25 H new ATOM 0 HD23 LEU A 75 10.686 -4.682 4.103 1.00 61.25 H new ATOM 1120 N ASN A 76 15.009 -4.237 7.478 1.00 0.35 N ATOM 1121 CA ASN A 76 15.702 -3.327 8.374 1.00 34.44 C ATOM 1122 C ASN A 76 16.609 -2.356 7.600 1.00 21.05 C ATOM 1123 O ASN A 76 16.724 -1.192 7.971 1.00 43.12 O ATOM 1124 CB ASN A 76 16.544 -4.133 9.390 1.00 1.41 C ATOM 1125 CG ASN A 76 17.334 -3.276 10.395 1.00 53.02 C ATOM 1126 OD1 ASN A 76 18.435 -3.666 10.823 1.00 53.34 O ATOM 1127 ND2 ASN A 76 16.788 -2.149 10.806 1.00 43.34 N ATOM 0 H ASN A 76 15.170 -5.221 7.694 1.00 0.35 H new ATOM 0 HA ASN A 76 14.952 -2.738 8.902 1.00 34.44 H new ATOM 0 HB2 ASN A 76 15.881 -4.799 9.943 1.00 1.41 H new ATOM 0 HB3 ASN A 76 17.244 -4.763 8.842 1.00 1.41 H new ATOM 0 HD21 ASN A 76 17.270 -1.570 11.494 1.00 43.34 H new ATOM 0 HD22 ASN A 76 15.884 -1.856 10.436 1.00 43.34 H new ATOM 1134 N ASN A 77 17.219 -2.808 6.494 1.00 11.21 N ATOM 1135 CA ASN A 77 18.170 -1.943 5.804 1.00 5.21 C ATOM 1136 C ASN A 77 17.426 -0.884 5.019 1.00 52.24 C ATOM 1137 O ASN A 77 17.911 0.225 4.814 1.00 64.42 O ATOM 1138 CB ASN A 77 19.179 -2.704 4.930 1.00 21.24 C ATOM 1139 CG ASN A 77 20.427 -1.853 4.668 1.00 1.21 C ATOM 1140 OD1 ASN A 77 20.776 -0.993 5.472 1.00 15.24 O ATOM 1141 ND2 ASN A 77 21.132 -2.118 3.613 1.00 33.34 N ATOM 0 H ASN A 77 17.076 -3.728 6.077 1.00 11.21 H new ATOM 0 HA ASN A 77 18.776 -1.459 6.570 1.00 5.21 H new ATOM 0 HB2 ASN A 77 19.465 -3.633 5.423 1.00 21.24 H new ATOM 0 HB3 ASN A 77 18.713 -2.975 3.983 1.00 21.24 H new ATOM 0 HD21 ASN A 77 21.997 -1.608 3.436 1.00 33.34 H new ATOM 0 HD22 ASN A 77 20.822 -2.837 2.959 1.00 33.34 H new ATOM 1148 N PHE A 78 16.227 -1.235 4.578 1.00 60.02 N ATOM 1149 CA PHE A 78 15.363 -0.305 3.872 1.00 64.14 C ATOM 1150 C PHE A 78 14.915 0.830 4.793 1.00 73.32 C ATOM 1151 O PHE A 78 14.648 1.926 4.345 1.00 15.14 O ATOM 1152 CB PHE A 78 14.172 -1.014 3.225 1.00 24.33 C ATOM 1153 CG PHE A 78 14.561 -1.983 2.159 1.00 43.42 C ATOM 1154 CD1 PHE A 78 14.853 -1.543 0.897 1.00 61.50 C ATOM 1155 CD2 PHE A 78 14.646 -3.320 2.424 1.00 45.14 C ATOM 1156 CE1 PHE A 78 15.233 -2.424 -0.088 1.00 43.42 C ATOM 1157 CE2 PHE A 78 15.016 -4.212 1.451 1.00 40.24 C ATOM 1158 CZ PHE A 78 15.312 -3.760 0.186 1.00 43.40 C ATOM 0 H PHE A 78 15.829 -2.166 4.699 1.00 60.02 H new ATOM 0 HA PHE A 78 15.944 0.135 3.061 1.00 64.14 H new ATOM 0 HB2 PHE A 78 13.611 -1.541 3.996 1.00 24.33 H new ATOM 0 HB3 PHE A 78 13.503 -0.267 2.799 1.00 24.33 H new ATOM 0 HD1 PHE A 78 14.784 -0.489 0.671 1.00 61.50 H new ATOM 0 HD2 PHE A 78 14.418 -3.680 3.416 1.00 45.14 H new ATOM 0 HE1 PHE A 78 15.469 -2.060 -1.077 1.00 43.42 H new ATOM 0 HE2 PHE A 78 15.075 -5.266 1.677 1.00 40.24 H new ATOM 0 HZ PHE A 78 15.605 -4.457 -0.585 1.00 43.40 H new ATOM 1168 N ASP A 79 14.833 0.555 6.079 1.00 24.33 N ATOM 1169 CA ASP A 79 14.496 1.595 7.058 1.00 12.24 C ATOM 1170 C ASP A 79 15.662 2.595 7.132 1.00 4.15 C ATOM 1171 O ASP A 79 15.475 3.797 7.344 1.00 11.01 O ATOM 1172 CB ASP A 79 14.241 0.963 8.438 1.00 14.15 C ATOM 1173 CG ASP A 79 13.750 1.951 9.484 1.00 73.34 C ATOM 1174 OD1 ASP A 79 12.516 2.136 9.597 1.00 42.34 O ATOM 1175 OD2 ASP A 79 14.577 2.537 10.226 1.00 65.21 O ATOM 0 H ASP A 79 14.992 -0.370 6.479 1.00 24.33 H new ATOM 0 HA ASP A 79 13.588 2.113 6.751 1.00 12.24 H new ATOM 0 HB2 ASP A 79 13.506 0.165 8.332 1.00 14.15 H new ATOM 0 HB3 ASP A 79 15.163 0.502 8.792 1.00 14.15 H new ATOM 1180 N VAL A 80 16.863 2.071 6.911 1.00 71.54 N ATOM 1181 CA VAL A 80 18.111 2.838 6.936 1.00 51.15 C ATOM 1182 C VAL A 80 18.267 3.731 5.672 1.00 74.30 C ATOM 1183 O VAL A 80 18.971 4.751 5.700 1.00 1.13 O ATOM 1184 CB VAL A 80 19.348 1.889 7.084 1.00 44.51 C ATOM 1185 CG1 VAL A 80 20.660 2.666 7.158 1.00 75.31 C ATOM 1186 CG2 VAL A 80 19.197 0.998 8.309 1.00 72.40 C ATOM 0 H VAL A 80 17.003 1.082 6.705 1.00 71.54 H new ATOM 0 HA VAL A 80 18.066 3.494 7.805 1.00 51.15 H new ATOM 0 HB VAL A 80 19.383 1.265 6.191 1.00 44.51 H new ATOM 0 HG11 VAL A 80 21.491 1.968 7.260 1.00 75.31 H new ATOM 0 HG12 VAL A 80 20.788 3.252 6.248 1.00 75.31 H new ATOM 0 HG13 VAL A 80 20.639 3.334 8.019 1.00 75.31 H new ATOM 0 HG21 VAL A 80 20.066 0.346 8.394 1.00 72.40 H new ATOM 0 HG22 VAL A 80 19.119 1.618 9.202 1.00 72.40 H new ATOM 0 HG23 VAL A 80 18.297 0.391 8.209 1.00 72.40 H new ATOM 1196 N ILE A 81 17.577 3.378 4.563 1.00 51.12 N ATOM 1197 CA ILE A 81 17.690 4.178 3.316 1.00 33.12 C ATOM 1198 C ILE A 81 16.908 5.520 3.463 1.00 64.14 C ATOM 1199 O ILE A 81 16.833 6.341 2.532 1.00 62.51 O ATOM 1200 CB ILE A 81 17.261 3.386 2.014 1.00 24.41 C ATOM 1201 CG1 ILE A 81 17.774 4.106 0.748 1.00 1.34 C ATOM 1202 CG2 ILE A 81 15.748 3.236 1.933 1.00 22.12 C ATOM 1203 CD1 ILE A 81 17.448 3.400 -0.554 1.00 44.44 C ATOM 0 H ILE A 81 16.955 2.572 4.502 1.00 51.12 H new ATOM 0 HA ILE A 81 18.748 4.401 3.177 1.00 33.12 H new ATOM 0 HB ILE A 81 17.708 2.393 2.072 1.00 24.41 H new ATOM 0 HG12 ILE A 81 17.349 5.109 0.719 1.00 1.34 H new ATOM 0 HG13 ILE A 81 18.855 4.220 0.824 1.00 1.34 H new ATOM 0 HG21 ILE A 81 15.485 2.688 1.028 1.00 22.12 H new ATOM 0 HG22 ILE A 81 15.389 2.690 2.805 1.00 22.12 H new ATOM 0 HG23 ILE A 81 15.285 4.223 1.907 1.00 22.12 H new ATOM 0 HD11 ILE A 81 17.846 3.976 -1.390 1.00 44.44 H new ATOM 0 HD12 ILE A 81 17.897 2.407 -0.551 1.00 44.44 H new ATOM 0 HD13 ILE A 81 16.367 3.309 -0.658 1.00 44.44 H new ATOM 1215 N GLU A 82 16.350 5.703 4.660 1.00 62.21 N ATOM 1216 CA GLU A 82 15.694 6.915 5.110 1.00 31.05 C ATOM 1217 C GLU A 82 14.221 7.057 4.825 1.00 62.13 C ATOM 1218 O GLU A 82 13.742 6.908 3.701 1.00 64.10 O ATOM 1219 CB GLU A 82 16.491 8.198 4.863 1.00 51.11 C ATOM 1220 CG GLU A 82 17.737 8.298 5.716 1.00 63.43 C ATOM 1221 CD GLU A 82 17.408 8.267 7.184 1.00 34.41 C ATOM 1222 OE1 GLU A 82 17.004 9.306 7.730 1.00 44.13 O ATOM 1223 OE2 GLU A 82 17.522 7.193 7.810 1.00 32.04 O ATOM 0 H GLU A 82 16.347 4.971 5.370 1.00 62.21 H new ATOM 0 HA GLU A 82 15.701 6.757 6.189 1.00 31.05 H new ATOM 0 HB2 GLU A 82 16.773 8.246 3.811 1.00 51.11 H new ATOM 0 HB3 GLU A 82 15.852 9.059 5.061 1.00 51.11 H new ATOM 0 HG2 GLU A 82 18.410 7.475 5.476 1.00 63.43 H new ATOM 0 HG3 GLU A 82 18.266 9.221 5.481 1.00 63.43 H new ATOM 1230 N GLY A 83 13.526 7.328 5.889 1.00 64.44 N ATOM 1231 CA GLY A 83 12.126 7.591 5.901 1.00 33.13 C ATOM 1232 C GLY A 83 11.828 8.302 7.185 1.00 0.05 C ATOM 1233 O GLY A 83 10.979 7.890 7.956 1.00 10.25 O ATOM 0 H GLY A 83 13.946 7.373 6.817 1.00 64.44 H new ATOM 0 HA2 GLY A 83 11.841 8.203 5.045 1.00 33.13 H new ATOM 0 HA3 GLY A 83 11.558 6.663 5.833 1.00 33.13 H new ATOM 1237 N ASN A 84 12.559 9.380 7.405 1.00 11.31 N ATOM 1238 CA ASN A 84 12.566 10.124 8.672 1.00 33.00 C ATOM 1239 C ASN A 84 11.212 10.725 9.016 1.00 51.31 C ATOM 1240 O ASN A 84 10.762 10.648 10.156 1.00 24.03 O ATOM 1241 CB ASN A 84 13.647 11.213 8.619 1.00 64.13 C ATOM 1242 CG ASN A 84 13.823 11.970 9.926 1.00 11.43 C ATOM 1243 OD1 ASN A 84 13.196 13.014 10.161 1.00 43.52 O ATOM 1244 ND2 ASN A 84 14.674 11.455 10.777 1.00 34.11 N ATOM 0 H ASN A 84 13.180 9.778 6.700 1.00 11.31 H new ATOM 0 HA ASN A 84 12.793 9.414 9.468 1.00 33.00 H new ATOM 0 HB2 ASN A 84 14.597 10.755 8.345 1.00 64.13 H new ATOM 0 HB3 ASN A 84 13.396 11.922 7.830 1.00 64.13 H new ATOM 0 HD21 ASN A 84 14.842 11.915 11.672 1.00 34.11 H new ATOM 0 HD22 ASN A 84 15.170 10.594 10.545 1.00 34.11 H new ATOM 1251 N ASP A 85 10.553 11.288 8.038 1.00 11.13 N ATOM 1252 CA ASP A 85 9.247 11.914 8.258 1.00 2.53 C ATOM 1253 C ASP A 85 8.151 10.974 7.816 1.00 1.04 C ATOM 1254 O ASP A 85 6.985 11.366 7.639 1.00 20.32 O ATOM 1255 CB ASP A 85 9.136 13.208 7.463 1.00 53.15 C ATOM 1256 CG ASP A 85 10.107 14.275 7.864 1.00 15.04 C ATOM 1257 OD1 ASP A 85 11.238 14.279 7.368 1.00 53.52 O ATOM 1258 OD2 ASP A 85 9.741 15.148 8.672 1.00 61.34 O ATOM 0 H ASP A 85 10.887 11.333 7.075 1.00 11.13 H new ATOM 0 HA ASP A 85 9.145 12.134 9.321 1.00 2.53 H new ATOM 0 HB2 ASP A 85 9.281 12.983 6.406 1.00 53.15 H new ATOM 0 HB3 ASP A 85 8.124 13.598 7.570 1.00 53.15 H new ATOM 1263 N TYR A 86 8.508 9.738 7.658 1.00 44.14 N ATOM 1264 CA TYR A 86 7.604 8.754 7.181 1.00 72.43 C ATOM 1265 C TYR A 86 7.481 7.646 8.221 1.00 44.10 C ATOM 1266 O TYR A 86 8.356 7.497 9.081 1.00 42.51 O ATOM 1267 CB TYR A 86 8.118 8.170 5.861 1.00 44.41 C ATOM 1268 CG TYR A 86 8.322 9.184 4.778 1.00 30.24 C ATOM 1269 CD1 TYR A 86 9.517 9.886 4.691 1.00 72.31 C ATOM 1270 CD2 TYR A 86 7.336 9.452 3.853 1.00 71.12 C ATOM 1271 CE1 TYR A 86 9.718 10.821 3.719 1.00 41.41 C ATOM 1272 CE2 TYR A 86 7.533 10.393 2.872 1.00 53.35 C ATOM 1273 CZ TYR A 86 8.727 11.074 2.812 1.00 31.54 C ATOM 1274 OH TYR A 86 8.923 12.017 1.852 1.00 14.23 O ATOM 0 H TYR A 86 9.444 9.386 7.860 1.00 44.14 H new ATOM 0 HA TYR A 86 6.628 9.207 7.009 1.00 72.43 H new ATOM 0 HB2 TYR A 86 9.062 7.658 6.047 1.00 44.41 H new ATOM 0 HB3 TYR A 86 7.412 7.418 5.510 1.00 44.41 H new ATOM 0 HD1 TYR A 86 10.302 9.688 5.406 1.00 72.31 H new ATOM 0 HD2 TYR A 86 6.399 8.917 3.900 1.00 71.12 H new ATOM 0 HE1 TYR A 86 10.654 11.358 3.666 1.00 41.41 H new ATOM 0 HE2 TYR A 86 6.755 10.597 2.152 1.00 53.35 H new ATOM 0 HH TYR A 86 8.123 12.578 1.777 1.00 14.23 H new ATOM 1284 N GLU A 87 6.423 6.892 8.165 1.00 61.02 N ATOM 1285 CA GLU A 87 6.230 5.791 9.090 1.00 63.23 C ATOM 1286 C GLU A 87 5.926 4.505 8.330 1.00 4.32 C ATOM 1287 O GLU A 87 5.475 4.547 7.169 1.00 3.25 O ATOM 1288 CB GLU A 87 5.139 6.121 10.123 1.00 33.14 C ATOM 1289 CG GLU A 87 3.772 6.387 9.526 1.00 30.21 C ATOM 1290 CD GLU A 87 2.736 6.770 10.551 1.00 2.31 C ATOM 1291 OE1 GLU A 87 2.647 7.966 10.891 1.00 31.51 O ATOM 1292 OE2 GLU A 87 1.960 5.907 10.995 1.00 51.31 O ATOM 0 H GLU A 87 5.670 7.013 7.487 1.00 61.02 H new ATOM 0 HA GLU A 87 7.156 5.636 9.644 1.00 63.23 H new ATOM 0 HB2 GLU A 87 5.060 5.293 10.827 1.00 33.14 H new ATOM 0 HB3 GLU A 87 5.449 6.996 10.694 1.00 33.14 H new ATOM 0 HG2 GLU A 87 3.855 7.185 8.788 1.00 30.21 H new ATOM 0 HG3 GLU A 87 3.436 5.496 8.996 1.00 30.21 H new ATOM 1299 N ARG A 88 6.172 3.383 8.974 1.00 42.42 N ATOM 1300 CA ARG A 88 5.994 2.079 8.363 1.00 42.34 C ATOM 1301 C ARG A 88 4.548 1.629 8.499 1.00 53.15 C ATOM 1302 O ARG A 88 4.069 1.378 9.609 1.00 54.54 O ATOM 1303 CB ARG A 88 6.900 1.049 9.050 1.00 23.03 C ATOM 1304 CG ARG A 88 6.858 -0.345 8.437 1.00 22.45 C ATOM 1305 CD ARG A 88 7.528 -0.377 7.081 1.00 35.10 C ATOM 1306 NE ARG A 88 8.946 -0.009 7.169 1.00 3.14 N ATOM 1307 CZ ARG A 88 9.839 -0.165 6.199 1.00 1.41 C ATOM 1308 NH1 ARG A 88 9.482 -0.708 5.034 1.00 73.33 N ATOM 1309 NH2 ARG A 88 11.089 0.223 6.394 1.00 1.23 N ATOM 0 H ARG A 88 6.502 3.348 9.939 1.00 42.42 H new ATOM 0 HA ARG A 88 6.256 2.155 7.308 1.00 42.34 H new ATOM 0 HB2 ARG A 88 7.927 1.413 9.022 1.00 23.03 H new ATOM 0 HB3 ARG A 88 6.616 0.978 10.100 1.00 23.03 H new ATOM 0 HG2 ARG A 88 7.352 -1.052 9.104 1.00 22.45 H new ATOM 0 HG3 ARG A 88 5.822 -0.669 8.339 1.00 22.45 H new ATOM 0 HD2 ARG A 88 7.437 -1.375 6.653 1.00 35.10 H new ATOM 0 HD3 ARG A 88 7.015 0.308 6.405 1.00 35.10 H new ATOM 0 HE ARG A 88 9.271 0.399 8.045 1.00 3.14 H new ATOM 0 HH11 ARG A 88 8.518 -1.006 4.884 1.00 73.33 H new ATOM 0 HH12 ARG A 88 10.173 -0.825 4.293 1.00 73.33 H new ATOM 0 HH21 ARG A 88 11.361 0.639 7.285 1.00 1.23 H new ATOM 0 HH22 ARG A 88 11.781 0.106 5.653 1.00 1.23 H new ATOM 1323 N VAL A 89 3.861 1.540 7.394 1.00 30.41 N ATOM 1324 CA VAL A 89 2.490 1.066 7.384 1.00 52.11 C ATOM 1325 C VAL A 89 2.316 -0.017 6.359 1.00 31.21 C ATOM 1326 O VAL A 89 3.129 -0.152 5.438 1.00 61.21 O ATOM 1327 CB VAL A 89 1.451 2.178 7.131 1.00 34.11 C ATOM 1328 CG1 VAL A 89 1.461 3.193 8.259 1.00 63.23 C ATOM 1329 CG2 VAL A 89 1.693 2.850 5.792 1.00 4.15 C ATOM 0 H VAL A 89 4.226 1.791 6.475 1.00 30.41 H new ATOM 0 HA VAL A 89 2.304 0.677 8.385 1.00 52.11 H new ATOM 0 HB VAL A 89 0.463 1.718 7.102 1.00 34.11 H new ATOM 0 HG11 VAL A 89 0.720 3.967 8.058 1.00 63.23 H new ATOM 0 HG12 VAL A 89 1.220 2.695 9.198 1.00 63.23 H new ATOM 0 HG13 VAL A 89 2.449 3.647 8.332 1.00 63.23 H new ATOM 0 HG21 VAL A 89 0.948 3.630 5.637 1.00 4.15 H new ATOM 0 HG22 VAL A 89 2.689 3.292 5.782 1.00 4.15 H new ATOM 0 HG23 VAL A 89 1.616 2.111 4.995 1.00 4.15 H new ATOM 1339 N THR A 90 1.289 -0.785 6.519 1.00 21.15 N ATOM 1340 CA THR A 90 0.997 -1.850 5.629 1.00 31.20 C ATOM 1341 C THR A 90 -0.214 -1.452 4.751 1.00 73.34 C ATOM 1342 O THR A 90 -1.290 -1.132 5.259 1.00 14.43 O ATOM 1343 CB THR A 90 0.692 -3.112 6.446 1.00 0.22 C ATOM 1344 OG1 THR A 90 1.720 -3.265 7.448 1.00 52.03 O ATOM 1345 CG2 THR A 90 0.711 -4.336 5.564 1.00 11.23 C ATOM 0 H THR A 90 0.622 -0.685 7.284 1.00 21.15 H new ATOM 0 HA THR A 90 1.848 -2.053 4.979 1.00 31.20 H new ATOM 0 HB THR A 90 -0.295 -3.011 6.898 1.00 0.22 H new ATOM 0 HG1 THR A 90 1.540 -4.067 7.982 1.00 52.03 H new ATOM 0 HG21 THR A 90 0.492 -5.220 6.163 1.00 11.23 H new ATOM 0 HG22 THR A 90 -0.041 -4.233 4.782 1.00 11.23 H new ATOM 0 HG23 THR A 90 1.696 -4.441 5.109 1.00 11.23 H new ATOM 1353 N VAL A 91 -0.015 -1.469 3.462 1.00 23.53 N ATOM 1354 CA VAL A 91 -0.996 -1.029 2.469 1.00 20.12 C ATOM 1355 C VAL A 91 -1.159 -2.138 1.451 1.00 1.41 C ATOM 1356 O VAL A 91 -0.312 -3.025 1.383 1.00 74.04 O ATOM 1357 CB VAL A 91 -0.465 0.259 1.767 1.00 5.43 C ATOM 1358 CG1 VAL A 91 -0.280 1.368 2.784 1.00 62.43 C ATOM 1359 CG2 VAL A 91 0.855 -0.041 1.063 1.00 22.13 C ATOM 0 H VAL A 91 0.857 -1.797 3.046 1.00 23.53 H new ATOM 0 HA VAL A 91 -1.954 -0.809 2.940 1.00 20.12 H new ATOM 0 HB VAL A 91 -1.193 0.586 1.025 1.00 5.43 H new ATOM 0 HG11 VAL A 91 0.091 2.262 2.284 1.00 62.43 H new ATOM 0 HG12 VAL A 91 -1.236 1.588 3.260 1.00 62.43 H new ATOM 0 HG13 VAL A 91 0.438 1.052 3.541 1.00 62.43 H new ATOM 0 HG21 VAL A 91 1.220 0.862 0.575 1.00 22.13 H new ATOM 0 HG22 VAL A 91 1.589 -0.380 1.794 1.00 22.13 H new ATOM 0 HG23 VAL A 91 0.700 -0.820 0.316 1.00 22.13 H new ATOM 1369 N GLU A 92 -2.217 -2.142 0.681 1.00 45.24 N ATOM 1370 CA GLU A 92 -2.336 -3.186 -0.299 1.00 20.12 C ATOM 1371 C GLU A 92 -2.124 -2.584 -1.660 1.00 23.14 C ATOM 1372 O GLU A 92 -2.647 -1.508 -1.961 1.00 70.34 O ATOM 1373 CB GLU A 92 -3.687 -3.920 -0.341 1.00 31.35 C ATOM 1374 CG GLU A 92 -4.489 -4.046 0.910 1.00 63.32 C ATOM 1375 CD GLU A 92 -5.059 -2.750 1.405 1.00 32.12 C ATOM 1376 OE1 GLU A 92 -5.973 -2.195 0.748 1.00 62.34 O ATOM 1377 OE2 GLU A 92 -4.637 -2.296 2.475 1.00 44.15 O ATOM 0 H GLU A 92 -2.979 -1.464 0.710 1.00 45.24 H new ATOM 0 HA GLU A 92 -1.590 -3.927 -0.013 1.00 20.12 H new ATOM 0 HB2 GLU A 92 -4.310 -3.417 -1.080 1.00 31.35 H new ATOM 0 HB3 GLU A 92 -3.501 -4.927 -0.714 1.00 31.35 H new ATOM 0 HG2 GLU A 92 -5.306 -4.747 0.736 1.00 63.32 H new ATOM 0 HG3 GLU A 92 -3.861 -4.476 1.690 1.00 63.32 H new ATOM 1384 N VAL A 93 -1.418 -3.268 -2.486 1.00 44.13 N ATOM 1385 CA VAL A 93 -1.153 -2.794 -3.803 1.00 25.23 C ATOM 1386 C VAL A 93 -1.557 -3.846 -4.790 1.00 1.22 C ATOM 1387 O VAL A 93 -1.725 -5.014 -4.441 1.00 10.13 O ATOM 1388 CB VAL A 93 0.345 -2.452 -4.033 1.00 14.22 C ATOM 1389 CG1 VAL A 93 0.829 -1.412 -3.055 1.00 20.23 C ATOM 1390 CG2 VAL A 93 1.209 -3.689 -3.956 1.00 14.44 C ATOM 0 H VAL A 93 -1.005 -4.175 -2.271 1.00 44.13 H new ATOM 0 HA VAL A 93 -1.726 -1.876 -3.935 1.00 25.23 H new ATOM 0 HB VAL A 93 0.429 -2.038 -5.038 1.00 14.22 H new ATOM 0 HG11 VAL A 93 1.881 -1.196 -3.244 1.00 20.23 H new ATOM 0 HG12 VAL A 93 0.244 -0.500 -3.175 1.00 20.23 H new ATOM 0 HG13 VAL A 93 0.713 -1.787 -2.038 1.00 20.23 H new ATOM 0 HG21 VAL A 93 2.251 -3.416 -4.121 1.00 14.44 H new ATOM 0 HG22 VAL A 93 1.105 -4.145 -2.971 1.00 14.44 H new ATOM 0 HG23 VAL A 93 0.895 -4.400 -4.720 1.00 14.44 H new ATOM 1400 N VAL A 94 -1.733 -3.443 -5.986 1.00 63.30 N ATOM 1401 CA VAL A 94 -2.087 -4.334 -7.033 1.00 21.14 C ATOM 1402 C VAL A 94 -0.899 -4.595 -7.911 1.00 22.01 C ATOM 1403 O VAL A 94 -0.376 -3.669 -8.520 1.00 54.44 O ATOM 1404 CB VAL A 94 -3.247 -3.765 -7.869 1.00 44.15 C ATOM 1405 CG1 VAL A 94 -3.510 -4.615 -9.106 1.00 74.54 C ATOM 1406 CG2 VAL A 94 -4.489 -3.687 -7.011 1.00 41.31 C ATOM 0 H VAL A 94 -1.635 -2.470 -6.278 1.00 63.30 H new ATOM 0 HA VAL A 94 -2.415 -5.273 -6.587 1.00 21.14 H new ATOM 0 HB VAL A 94 -2.973 -2.767 -8.210 1.00 44.15 H new ATOM 0 HG11 VAL A 94 -4.335 -4.185 -9.674 1.00 74.54 H new ATOM 0 HG12 VAL A 94 -2.615 -4.639 -9.728 1.00 74.54 H new ATOM 0 HG13 VAL A 94 -3.768 -5.629 -8.802 1.00 74.54 H new ATOM 0 HG21 VAL A 94 -5.313 -3.284 -7.600 1.00 41.31 H new ATOM 0 HG22 VAL A 94 -4.750 -4.684 -6.657 1.00 41.31 H new ATOM 0 HG23 VAL A 94 -4.301 -3.036 -6.157 1.00 41.31 H new ATOM 1416 N ARG A 95 -0.460 -5.845 -7.953 1.00 22.11 N ATOM 1417 CA ARG A 95 0.625 -6.235 -8.815 1.00 41.31 C ATOM 1418 C ARG A 95 0.091 -6.113 -10.245 1.00 61.20 C ATOM 1419 O ARG A 95 -0.782 -6.875 -10.674 1.00 10.41 O ATOM 1420 CB ARG A 95 1.109 -7.655 -8.498 1.00 12.10 C ATOM 1421 CG ARG A 95 2.357 -8.050 -9.254 1.00 41.51 C ATOM 1422 CD ARG A 95 2.756 -9.514 -9.020 1.00 51.35 C ATOM 1423 NE ARG A 95 3.090 -9.819 -7.610 1.00 20.15 N ATOM 1424 CZ ARG A 95 4.089 -10.642 -7.230 1.00 54.34 C ATOM 1425 NH1 ARG A 95 4.869 -11.205 -8.144 1.00 4.13 N ATOM 1426 NH2 ARG A 95 4.302 -10.897 -5.941 1.00 33.13 N ATOM 0 H ARG A 95 -0.847 -6.604 -7.393 1.00 22.11 H new ATOM 0 HA ARG A 95 1.497 -5.597 -8.673 1.00 41.31 H new ATOM 0 HB2 ARG A 95 1.302 -7.734 -7.428 1.00 12.10 H new ATOM 0 HB3 ARG A 95 0.313 -8.362 -8.732 1.00 12.10 H new ATOM 0 HG2 ARG A 95 2.197 -7.888 -10.320 1.00 41.51 H new ATOM 0 HG3 ARG A 95 3.180 -7.401 -8.953 1.00 41.51 H new ATOM 0 HD2 ARG A 95 1.938 -10.160 -9.339 1.00 51.35 H new ATOM 0 HD3 ARG A 95 3.614 -9.753 -9.648 1.00 51.35 H new ATOM 0 HE ARG A 95 2.529 -9.379 -6.880 1.00 20.15 H new ATOM 0 HH11 ARG A 95 4.713 -11.015 -9.134 1.00 4.13 H new ATOM 0 HH12 ARG A 95 5.624 -11.827 -7.857 1.00 4.13 H new ATOM 0 HH21 ARG A 95 3.707 -10.469 -5.231 1.00 33.13 H new ATOM 0 HH22 ARG A 95 5.060 -11.521 -5.663 1.00 33.13 H new ATOM 1440 N MET A 96 0.622 -5.149 -10.931 1.00 73.41 N ATOM 1441 CA MET A 96 0.090 -4.610 -12.173 1.00 44.25 C ATOM 1442 C MET A 96 -0.110 -5.641 -13.289 1.00 54.25 C ATOM 1443 O MET A 96 -1.225 -5.775 -13.810 1.00 3.44 O ATOM 1444 CB MET A 96 0.977 -3.427 -12.619 1.00 14.44 C ATOM 1445 CG MET A 96 0.421 -2.534 -13.732 1.00 62.14 C ATOM 1446 SD MET A 96 0.282 -3.327 -15.359 1.00 41.41 S ATOM 1447 CE MET A 96 -0.404 -1.979 -16.322 1.00 10.34 C ATOM 0 H MET A 96 1.481 -4.684 -10.637 1.00 73.41 H new ATOM 0 HA MET A 96 -0.923 -4.263 -11.969 1.00 44.25 H new ATOM 0 HB2 MET A 96 1.175 -2.802 -11.748 1.00 14.44 H new ATOM 0 HB3 MET A 96 1.936 -3.826 -12.950 1.00 14.44 H new ATOM 0 HG2 MET A 96 -0.565 -2.179 -13.433 1.00 62.14 H new ATOM 0 HG3 MET A 96 1.061 -1.657 -13.826 1.00 62.14 H new ATOM 0 HE1 MET A 96 -0.550 -2.305 -17.352 1.00 10.34 H new ATOM 0 HE2 MET A 96 -1.362 -1.679 -15.897 1.00 10.34 H new ATOM 0 HE3 MET A 96 0.282 -1.133 -16.304 1.00 10.34 H new ATOM 1457 N ASP A 97 0.930 -6.389 -13.631 1.00 45.13 N ATOM 1458 CA ASP A 97 0.868 -7.297 -14.804 1.00 31.13 C ATOM 1459 C ASP A 97 -0.093 -8.475 -14.636 1.00 41.31 C ATOM 1460 O ASP A 97 -0.413 -9.163 -15.615 1.00 45.33 O ATOM 1461 CB ASP A 97 2.256 -7.797 -15.251 1.00 43.25 C ATOM 1462 CG ASP A 97 3.167 -6.697 -15.748 1.00 15.41 C ATOM 1463 OD1 ASP A 97 3.863 -6.062 -14.923 1.00 63.45 O ATOM 1464 OD2 ASP A 97 3.222 -6.459 -16.981 1.00 71.01 O ATOM 0 H ASP A 97 1.820 -6.397 -13.132 1.00 45.13 H new ATOM 0 HA ASP A 97 0.460 -6.670 -15.597 1.00 31.13 H new ATOM 0 HB2 ASP A 97 2.736 -8.304 -14.414 1.00 43.25 H new ATOM 0 HB3 ASP A 97 2.129 -8.536 -16.042 1.00 43.25 H new ATOM 1469 N ASN A 98 -0.556 -8.720 -13.426 1.00 2.31 N ATOM 1470 CA ASN A 98 -1.513 -9.807 -13.199 1.00 2.30 C ATOM 1471 C ASN A 98 -2.828 -9.261 -12.612 1.00 64.13 C ATOM 1472 O ASN A 98 -3.807 -9.992 -12.451 1.00 70.53 O ATOM 1473 CB ASN A 98 -0.911 -10.883 -12.275 1.00 4.13 C ATOM 1474 CG ASN A 98 -1.787 -12.132 -12.143 1.00 51.34 C ATOM 1475 OD1 ASN A 98 -2.506 -12.513 -13.076 1.00 55.22 O ATOM 1476 ND2 ASN A 98 -1.727 -12.772 -11.011 1.00 72.53 N ATOM 0 H ASN A 98 -0.296 -8.195 -12.591 1.00 2.31 H new ATOM 0 HA ASN A 98 -1.734 -10.270 -14.161 1.00 2.30 H new ATOM 0 HB2 ASN A 98 0.067 -11.174 -12.658 1.00 4.13 H new ATOM 0 HB3 ASN A 98 -0.752 -10.454 -11.286 1.00 4.13 H new ATOM 0 HD21 ASN A 98 -2.283 -13.616 -10.872 1.00 72.53 H new ATOM 0 HD22 ASN A 98 -1.124 -12.430 -10.263 1.00 72.53 H new ATOM 1483 N SER A 99 -2.835 -7.962 -12.294 1.00 74.44 N ATOM 1484 CA SER A 99 -4.013 -7.276 -11.727 1.00 12.23 C ATOM 1485 C SER A 99 -4.420 -7.891 -10.361 1.00 41.24 C ATOM 1486 O SER A 99 -5.578 -7.770 -9.921 1.00 74.53 O ATOM 1487 CB SER A 99 -5.187 -7.330 -12.729 1.00 25.31 C ATOM 1488 OG SER A 99 -4.819 -6.746 -13.980 1.00 13.34 O ATOM 0 H SER A 99 -2.027 -7.352 -12.420 1.00 74.44 H new ATOM 0 HA SER A 99 -3.752 -6.233 -11.549 1.00 12.23 H new ATOM 0 HB2 SER A 99 -5.492 -8.365 -12.882 1.00 25.31 H new ATOM 0 HB3 SER A 99 -6.047 -6.802 -12.316 1.00 25.31 H new ATOM 0 HG SER A 99 -5.577 -6.793 -14.599 1.00 13.34 H new ATOM 1494 N GLU A 100 -3.452 -8.488 -9.672 1.00 71.44 N ATOM 1495 CA GLU A 100 -3.713 -9.155 -8.411 1.00 34.12 C ATOM 1496 C GLU A 100 -3.456 -8.199 -7.276 1.00 74.24 C ATOM 1497 O GLU A 100 -2.729 -7.238 -7.424 1.00 21.23 O ATOM 1498 CB GLU A 100 -2.831 -10.390 -8.255 1.00 53.40 C ATOM 1499 CG GLU A 100 -1.371 -10.059 -8.185 1.00 3.11 C ATOM 1500 CD GLU A 100 -0.484 -11.267 -8.087 1.00 74.23 C ATOM 1501 OE1 GLU A 100 -0.084 -11.798 -9.131 1.00 51.04 O ATOM 1502 OE2 GLU A 100 -0.179 -11.703 -6.964 1.00 3.22 O ATOM 0 H GLU A 100 -2.478 -8.521 -9.971 1.00 71.44 H new ATOM 0 HA GLU A 100 -4.755 -9.475 -8.396 1.00 34.12 H new ATOM 0 HB2 GLU A 100 -3.121 -10.925 -7.351 1.00 53.40 H new ATOM 0 HB3 GLU A 100 -3.006 -11.063 -9.094 1.00 53.40 H new ATOM 0 HG2 GLU A 100 -1.094 -9.486 -9.070 1.00 3.11 H new ATOM 0 HG3 GLU A 100 -1.194 -9.417 -7.322 1.00 3.11 H new ATOM 1509 N LYS A 101 -4.023 -8.474 -6.167 1.00 3.33 N ATOM 1510 CA LYS A 101 -3.922 -7.610 -5.032 1.00 33.21 C ATOM 1511 C LYS A 101 -3.058 -8.278 -3.974 1.00 2.30 C ATOM 1512 O LYS A 101 -3.239 -9.462 -3.675 1.00 55.54 O ATOM 1513 CB LYS A 101 -5.317 -7.276 -4.450 1.00 24.11 C ATOM 1514 CG LYS A 101 -6.342 -6.646 -5.418 1.00 62.45 C ATOM 1515 CD LYS A 101 -6.814 -7.578 -6.534 1.00 63.44 C ATOM 1516 CE LYS A 101 -7.770 -6.866 -7.476 1.00 1.24 C ATOM 1517 NZ LYS A 101 -8.248 -7.755 -8.559 1.00 35.40 N ATOM 0 H LYS A 101 -4.580 -9.313 -6.007 1.00 3.33 H new ATOM 0 HA LYS A 101 -3.465 -6.672 -5.347 1.00 33.21 H new ATOM 0 HB2 LYS A 101 -5.747 -8.194 -4.050 1.00 24.11 H new ATOM 0 HB3 LYS A 101 -5.181 -6.596 -3.610 1.00 24.11 H new ATOM 0 HG2 LYS A 101 -7.209 -6.317 -4.845 1.00 62.45 H new ATOM 0 HG3 LYS A 101 -5.900 -5.757 -5.867 1.00 62.45 H new ATOM 0 HD2 LYS A 101 -5.953 -7.945 -7.094 1.00 63.44 H new ATOM 0 HD3 LYS A 101 -7.307 -8.448 -6.101 1.00 63.44 H new ATOM 0 HE2 LYS A 101 -8.624 -6.492 -6.911 1.00 1.24 H new ATOM 0 HE3 LYS A 101 -7.272 -6.000 -7.912 1.00 1.24 H new ATOM 0 HZ1 LYS A 101 -9.054 -7.310 -9.043 1.00 35.40 H new ATOM 0 HZ2 LYS A 101 -7.480 -7.915 -9.241 1.00 35.40 H new ATOM 0 HZ3 LYS A 101 -8.547 -8.665 -8.154 1.00 35.40 H new ATOM 1531 N VAL A 102 -2.118 -7.539 -3.431 1.00 42.00 N ATOM 1532 CA VAL A 102 -1.202 -8.048 -2.436 1.00 70.33 C ATOM 1533 C VAL A 102 -0.995 -7.008 -1.350 1.00 20.42 C ATOM 1534 O VAL A 102 -1.026 -5.808 -1.616 1.00 74.24 O ATOM 1535 CB VAL A 102 0.195 -8.437 -3.044 1.00 51.44 C ATOM 1536 CG1 VAL A 102 0.070 -9.568 -4.048 1.00 21.22 C ATOM 1537 CG2 VAL A 102 0.868 -7.240 -3.696 1.00 12.31 C ATOM 0 H VAL A 102 -1.966 -6.559 -3.670 1.00 42.00 H new ATOM 0 HA VAL A 102 -1.650 -8.953 -2.024 1.00 70.33 H new ATOM 0 HB VAL A 102 0.816 -8.778 -2.216 1.00 51.44 H new ATOM 0 HG11 VAL A 102 1.055 -9.810 -4.448 1.00 21.22 H new ATOM 0 HG12 VAL A 102 -0.348 -10.446 -3.556 1.00 21.22 H new ATOM 0 HG13 VAL A 102 -0.586 -9.261 -4.862 1.00 21.22 H new ATOM 0 HG21 VAL A 102 1.831 -7.543 -4.106 1.00 12.31 H new ATOM 0 HG22 VAL A 102 0.236 -6.859 -4.498 1.00 12.31 H new ATOM 0 HG23 VAL A 102 1.020 -6.458 -2.952 1.00 12.31 H new ATOM 1547 N LYS A 103 -0.803 -7.454 -0.149 1.00 32.15 N ATOM 1548 CA LYS A 103 -0.562 -6.557 0.951 1.00 43.43 C ATOM 1549 C LYS A 103 0.957 -6.354 1.096 1.00 45.55 C ATOM 1550 O LYS A 103 1.719 -7.328 1.057 1.00 74.13 O ATOM 1551 CB LYS A 103 -1.142 -7.145 2.230 1.00 21.33 C ATOM 1552 CG LYS A 103 -1.065 -6.203 3.395 1.00 21.05 C ATOM 1553 CD LYS A 103 -2.097 -5.082 3.342 1.00 74.44 C ATOM 1554 CE LYS A 103 -3.481 -5.599 3.712 1.00 2.15 C ATOM 1555 NZ LYS A 103 -4.426 -4.496 4.045 1.00 11.32 N ATOM 0 H LYS A 103 -0.807 -8.443 0.102 1.00 32.15 H new ATOM 0 HA LYS A 103 -1.042 -5.596 0.765 1.00 43.43 H new ATOM 0 HB2 LYS A 103 -2.183 -7.418 2.058 1.00 21.33 H new ATOM 0 HB3 LYS A 103 -0.608 -8.063 2.476 1.00 21.33 H new ATOM 0 HG2 LYS A 103 -1.201 -6.767 4.318 1.00 21.05 H new ATOM 0 HG3 LYS A 103 -0.067 -5.766 3.433 1.00 21.05 H new ATOM 0 HD2 LYS A 103 -1.808 -4.284 4.026 1.00 74.44 H new ATOM 0 HD3 LYS A 103 -2.121 -4.651 2.341 1.00 74.44 H new ATOM 0 HE2 LYS A 103 -3.883 -6.181 2.882 1.00 2.15 H new ATOM 0 HE3 LYS A 103 -3.399 -6.274 4.564 1.00 2.15 H new ATOM 0 HZ1 LYS A 103 -5.378 -4.740 3.705 1.00 11.32 H new ATOM 0 HZ2 LYS A 103 -4.451 -4.359 5.076 1.00 11.32 H new ATOM 0 HZ3 LYS A 103 -4.110 -3.618 3.587 1.00 11.32 H new ATOM 1569 N VAL A 104 1.392 -5.107 1.232 1.00 65.41 N ATOM 1570 CA VAL A 104 2.818 -4.777 1.316 1.00 74.41 C ATOM 1571 C VAL A 104 3.066 -3.680 2.370 1.00 42.14 C ATOM 1572 O VAL A 104 2.125 -3.108 2.914 1.00 41.32 O ATOM 1573 CB VAL A 104 3.364 -4.261 -0.059 1.00 23.54 C ATOM 1574 CG1 VAL A 104 3.146 -5.276 -1.170 1.00 61.25 C ATOM 1575 CG2 VAL A 104 2.728 -2.933 -0.433 1.00 2.01 C ATOM 0 H VAL A 104 0.774 -4.297 1.287 1.00 65.41 H new ATOM 0 HA VAL A 104 3.338 -5.693 1.598 1.00 74.41 H new ATOM 0 HB VAL A 104 4.438 -4.116 0.058 1.00 23.54 H new ATOM 0 HG11 VAL A 104 3.538 -4.880 -2.107 1.00 61.25 H new ATOM 0 HG12 VAL A 104 3.664 -6.203 -0.923 1.00 61.25 H new ATOM 0 HG13 VAL A 104 2.080 -5.474 -1.278 1.00 61.25 H new ATOM 0 HG21 VAL A 104 3.124 -2.597 -1.391 1.00 2.01 H new ATOM 0 HG22 VAL A 104 1.648 -3.056 -0.510 1.00 2.01 H new ATOM 0 HG23 VAL A 104 2.955 -2.192 0.333 1.00 2.01 H new ATOM 1585 N GLU A 105 4.320 -3.394 2.634 1.00 4.24 N ATOM 1586 CA GLU A 105 4.708 -2.342 3.554 1.00 3.23 C ATOM 1587 C GLU A 105 5.134 -1.126 2.748 1.00 0.45 C ATOM 1588 O GLU A 105 5.653 -1.276 1.639 1.00 74.22 O ATOM 1589 CB GLU A 105 5.886 -2.790 4.421 1.00 13.01 C ATOM 1590 CG GLU A 105 5.632 -4.036 5.246 1.00 20.11 C ATOM 1591 CD GLU A 105 6.794 -4.361 6.160 1.00 31.44 C ATOM 1592 OE1 GLU A 105 6.955 -3.660 7.172 1.00 11.02 O ATOM 1593 OE2 GLU A 105 7.533 -5.335 5.894 1.00 23.34 O ATOM 0 H GLU A 105 5.108 -3.887 2.215 1.00 4.24 H new ATOM 0 HA GLU A 105 3.862 -2.106 4.200 1.00 3.23 H new ATOM 0 HB2 GLU A 105 6.746 -2.968 3.776 1.00 13.01 H new ATOM 0 HB3 GLU A 105 6.155 -1.975 5.093 1.00 13.01 H new ATOM 0 HG2 GLU A 105 4.730 -3.898 5.842 1.00 20.11 H new ATOM 0 HG3 GLU A 105 5.448 -4.879 4.581 1.00 20.11 H new ATOM 1600 N THR A 106 4.926 0.056 3.271 1.00 44.54 N ATOM 1601 CA THR A 106 5.341 1.243 2.579 1.00 31.44 C ATOM 1602 C THR A 106 5.602 2.349 3.595 1.00 22.11 C ATOM 1603 O THR A 106 5.371 2.162 4.811 1.00 31.12 O ATOM 1604 CB THR A 106 4.297 1.711 1.520 1.00 52.12 C ATOM 1605 OG1 THR A 106 4.874 2.720 0.673 1.00 12.22 O ATOM 1606 CG2 THR A 106 3.070 2.298 2.202 1.00 71.53 C ATOM 0 H THR A 106 4.473 0.219 4.170 1.00 44.54 H new ATOM 0 HA THR A 106 6.256 1.012 2.034 1.00 31.44 H new ATOM 0 HB THR A 106 4.006 0.844 0.927 1.00 52.12 H new ATOM 0 HG1 THR A 106 5.565 2.316 0.107 1.00 12.22 H new ATOM 0 HG21 THR A 106 2.353 2.619 1.447 1.00 71.53 H new ATOM 0 HG22 THR A 106 2.612 1.542 2.840 1.00 71.53 H new ATOM 0 HG23 THR A 106 3.366 3.154 2.809 1.00 71.53 H new ATOM 1614 N TYR A 107 6.083 3.464 3.111 1.00 40.22 N ATOM 1615 CA TYR A 107 6.390 4.592 3.935 1.00 20.11 C ATOM 1616 C TYR A 107 5.338 5.645 3.681 1.00 70.04 C ATOM 1617 O TYR A 107 5.190 6.121 2.560 1.00 3.03 O ATOM 1618 CB TYR A 107 7.767 5.156 3.552 1.00 12.41 C ATOM 1619 CG TYR A 107 8.883 4.141 3.612 1.00 21.42 C ATOM 1620 CD1 TYR A 107 9.560 3.900 4.794 1.00 42.03 C ATOM 1621 CD2 TYR A 107 9.245 3.411 2.485 1.00 13.13 C ATOM 1622 CE1 TYR A 107 10.568 2.966 4.851 1.00 22.31 C ATOM 1623 CE2 TYR A 107 10.245 2.469 2.538 1.00 12.43 C ATOM 1624 CZ TYR A 107 10.907 2.250 3.722 1.00 13.42 C ATOM 1625 OH TYR A 107 11.894 1.293 3.787 1.00 60.01 O ATOM 0 H TYR A 107 6.273 3.611 2.120 1.00 40.22 H new ATOM 0 HA TYR A 107 6.406 4.301 4.985 1.00 20.11 H new ATOM 0 HB2 TYR A 107 7.714 5.563 2.542 1.00 12.41 H new ATOM 0 HB3 TYR A 107 8.007 5.985 4.218 1.00 12.41 H new ATOM 0 HD1 TYR A 107 9.294 4.452 5.683 1.00 42.03 H new ATOM 0 HD2 TYR A 107 8.731 3.587 1.551 1.00 13.13 H new ATOM 0 HE1 TYR A 107 11.093 2.793 5.779 1.00 22.31 H new ATOM 0 HE2 TYR A 107 10.508 1.905 1.655 1.00 12.43 H new ATOM 0 HH TYR A 107 12.770 1.729 3.843 1.00 60.01 H new ATOM 1635 N VAL A 108 4.611 5.995 4.698 1.00 1.00 N ATOM 1636 CA VAL A 108 3.573 6.996 4.580 1.00 61.43 C ATOM 1637 C VAL A 108 4.000 8.221 5.380 1.00 42.44 C ATOM 1638 O VAL A 108 4.873 8.123 6.231 1.00 54.14 O ATOM 1639 CB VAL A 108 2.197 6.444 5.078 1.00 21.41 C ATOM 1640 CG1 VAL A 108 2.239 6.114 6.538 1.00 11.41 C ATOM 1641 CG2 VAL A 108 1.038 7.378 4.766 1.00 73.01 C ATOM 0 H VAL A 108 4.713 5.602 5.634 1.00 1.00 H new ATOM 0 HA VAL A 108 3.440 7.269 3.533 1.00 61.43 H new ATOM 0 HB VAL A 108 2.017 5.524 4.522 1.00 21.41 H new ATOM 0 HG11 VAL A 108 1.268 5.733 6.853 1.00 11.41 H new ATOM 0 HG12 VAL A 108 3.002 5.356 6.718 1.00 11.41 H new ATOM 0 HG13 VAL A 108 2.478 7.012 7.107 1.00 11.41 H new ATOM 0 HG21 VAL A 108 0.110 6.942 5.135 1.00 73.01 H new ATOM 0 HG22 VAL A 108 1.205 8.340 5.251 1.00 73.01 H new ATOM 0 HG23 VAL A 108 0.967 7.523 3.688 1.00 73.01 H new ATOM 1651 N TRP A 109 3.389 9.334 5.126 1.00 13.54 N ATOM 1652 CA TRP A 109 3.772 10.575 5.729 1.00 72.34 C ATOM 1653 C TRP A 109 3.234 10.612 7.161 1.00 74.34 C ATOM 1654 O TRP A 109 2.063 10.370 7.377 1.00 73.30 O ATOM 1655 CB TRP A 109 3.168 11.690 4.865 1.00 72.45 C ATOM 1656 CG TRP A 109 3.673 13.063 5.128 1.00 4.25 C ATOM 1657 CD1 TRP A 109 2.944 14.164 5.458 1.00 13.21 C ATOM 1658 CD2 TRP A 109 5.028 13.480 5.062 1.00 54.34 C ATOM 1659 NE1 TRP A 109 3.771 15.250 5.589 1.00 71.12 N ATOM 1660 CE2 TRP A 109 5.059 14.854 5.356 1.00 42.13 C ATOM 1661 CE3 TRP A 109 6.222 12.822 4.781 1.00 33.44 C ATOM 1662 CZ2 TRP A 109 6.243 15.582 5.373 1.00 11.03 C ATOM 1663 CZ3 TRP A 109 7.381 13.532 4.800 1.00 12.34 C ATOM 1664 CH2 TRP A 109 7.395 14.905 5.094 1.00 54.05 C ATOM 0 H TRP A 109 2.599 9.410 4.485 1.00 13.54 H new ATOM 0 HA TRP A 109 4.854 10.699 5.781 1.00 72.34 H new ATOM 0 HB2 TRP A 109 3.352 11.451 3.818 1.00 72.45 H new ATOM 0 HB3 TRP A 109 2.087 11.688 5.007 1.00 72.45 H new ATOM 0 HD1 TRP A 109 1.873 14.180 5.596 1.00 13.21 H new ATOM 0 HE1 TRP A 109 3.474 16.198 5.822 1.00 71.12 H new ATOM 0 HE3 TRP A 109 6.227 11.767 4.552 1.00 33.44 H new ATOM 0 HZ2 TRP A 109 6.251 16.638 5.597 1.00 11.03 H new ATOM 0 HZ3 TRP A 109 8.312 13.029 4.584 1.00 12.34 H new ATOM 0 HH2 TRP A 109 8.336 15.436 5.099 1.00 54.05 H new ATOM 1675 N VAL A 110 4.086 10.885 8.146 1.00 50.34 N ATOM 1676 CA VAL A 110 3.630 10.910 9.529 1.00 23.11 C ATOM 1677 C VAL A 110 2.724 12.099 9.797 1.00 61.12 C ATOM 1678 O VAL A 110 1.892 12.068 10.675 1.00 74.14 O ATOM 1679 CB VAL A 110 4.788 10.885 10.544 1.00 55.52 C ATOM 1680 CG1 VAL A 110 5.557 9.607 10.434 1.00 63.52 C ATOM 1681 CG2 VAL A 110 5.714 12.054 10.377 1.00 61.53 C ATOM 0 H VAL A 110 5.077 11.088 8.015 1.00 50.34 H new ATOM 0 HA VAL A 110 3.057 9.993 9.668 1.00 23.11 H new ATOM 0 HB VAL A 110 4.342 10.955 11.536 1.00 55.52 H new ATOM 0 HG11 VAL A 110 6.371 9.608 11.159 1.00 63.52 H new ATOM 0 HG12 VAL A 110 4.894 8.765 10.634 1.00 63.52 H new ATOM 0 HG13 VAL A 110 5.967 9.515 9.428 1.00 63.52 H new ATOM 0 HG21 VAL A 110 6.514 11.993 11.115 1.00 61.53 H new ATOM 0 HG22 VAL A 110 6.142 12.039 9.375 1.00 61.53 H new ATOM 0 HG23 VAL A 110 5.159 12.981 10.520 1.00 61.53 H new ATOM 1691 N ASN A 111 2.869 13.114 8.991 1.00 44.01 N ATOM 1692 CA ASN A 111 2.088 14.339 9.109 1.00 25.51 C ATOM 1693 C ASN A 111 0.816 14.235 8.228 1.00 12.20 C ATOM 1694 O ASN A 111 0.130 15.216 7.980 1.00 11.12 O ATOM 1695 CB ASN A 111 2.960 15.548 8.719 1.00 34.11 C ATOM 1696 CG ASN A 111 2.307 16.908 8.959 1.00 53.21 C ATOM 1697 OD1 ASN A 111 2.561 17.855 8.223 1.00 11.52 O ATOM 1698 ND2 ASN A 111 1.505 17.026 10.002 1.00 21.22 N ATOM 0 H ASN A 111 3.538 13.125 8.221 1.00 44.01 H new ATOM 0 HA ASN A 111 1.766 14.480 10.141 1.00 25.51 H new ATOM 0 HB2 ASN A 111 3.892 15.503 9.282 1.00 34.11 H new ATOM 0 HB3 ASN A 111 3.220 15.466 7.664 1.00 34.11 H new ATOM 0 HD21 ASN A 111 1.075 17.926 10.216 1.00 21.22 H new ATOM 0 HD22 ASN A 111 1.315 16.217 10.594 1.00 21.22 H new ATOM 1705 N LYS A 112 0.519 12.990 7.792 1.00 71.32 N ATOM 1706 CA LYS A 112 -0.590 12.645 6.856 1.00 52.03 C ATOM 1707 C LYS A 112 -1.954 13.248 7.256 1.00 22.41 C ATOM 1708 O LYS A 112 -2.857 13.321 6.425 1.00 12.53 O ATOM 1709 CB LYS A 112 -0.752 11.124 6.797 1.00 65.41 C ATOM 1710 CG LYS A 112 -1.287 10.532 8.078 1.00 65.25 C ATOM 1711 CD LYS A 112 -1.381 9.034 8.031 1.00 73.33 C ATOM 1712 CE LYS A 112 -0.066 8.376 8.404 1.00 0.12 C ATOM 1713 NZ LYS A 112 0.305 8.681 9.814 1.00 44.23 N ATOM 0 H LYS A 112 1.054 12.172 8.085 1.00 71.32 H new ATOM 0 HA LYS A 112 -0.310 13.068 5.891 1.00 52.03 H new ATOM 0 HB2 LYS A 112 -1.424 10.868 5.978 1.00 65.41 H new ATOM 0 HB3 LYS A 112 0.213 10.671 6.570 1.00 65.41 H new ATOM 0 HG2 LYS A 112 -0.642 10.825 8.906 1.00 65.25 H new ATOM 0 HG3 LYS A 112 -2.274 10.947 8.281 1.00 65.25 H new ATOM 0 HD2 LYS A 112 -2.162 8.697 8.712 1.00 73.33 H new ATOM 0 HD3 LYS A 112 -1.674 8.719 7.029 1.00 73.33 H new ATOM 0 HE2 LYS A 112 -0.145 7.297 8.271 1.00 0.12 H new ATOM 0 HE3 LYS A 112 0.721 8.723 7.734 1.00 0.12 H new ATOM 0 HZ1 LYS A 112 1.341 8.723 9.899 1.00 44.23 H new ATOM 0 HZ2 LYS A 112 -0.102 9.597 10.090 1.00 44.23 H new ATOM 0 HZ3 LYS A 112 -0.064 7.936 10.439 1.00 44.23 H new ATOM 1727 N ASP A 113 -2.096 13.653 8.525 1.00 73.31 N ATOM 1728 CA ASP A 113 -3.337 14.257 9.017 1.00 32.31 C ATOM 1729 C ASP A 113 -3.675 15.470 8.199 1.00 1.42 C ATOM 1730 O ASP A 113 -4.841 15.704 7.870 1.00 54.04 O ATOM 1731 CB ASP A 113 -3.236 14.650 10.491 1.00 11.21 C ATOM 1732 CG ASP A 113 -2.992 13.484 11.400 1.00 5.05 C ATOM 1733 OD1 ASP A 113 -3.958 12.806 11.804 1.00 50.41 O ATOM 1734 OD2 ASP A 113 -1.825 13.227 11.738 1.00 4.45 O ATOM 0 H ASP A 113 -1.363 13.572 9.230 1.00 73.31 H new ATOM 0 HA ASP A 113 -4.125 13.510 8.921 1.00 32.31 H new ATOM 0 HB2 ASP A 113 -2.429 15.372 10.613 1.00 11.21 H new ATOM 0 HB3 ASP A 113 -4.158 15.149 10.791 1.00 11.21 H new ATOM 1739 N ASP A 114 -2.665 16.236 7.850 1.00 41.31 N ATOM 1740 CA ASP A 114 -2.871 17.375 7.009 1.00 31.42 C ATOM 1741 C ASP A 114 -2.180 17.163 5.691 1.00 21.42 C ATOM 1742 O ASP A 114 -0.970 16.911 5.645 1.00 72.24 O ATOM 1743 CB ASP A 114 -2.350 18.677 7.648 1.00 74.12 C ATOM 1744 CG ASP A 114 -3.105 19.087 8.886 1.00 43.42 C ATOM 1745 OD1 ASP A 114 -4.259 19.542 8.760 1.00 12.23 O ATOM 1746 OD2 ASP A 114 -2.561 18.967 9.998 1.00 2.11 O ATOM 0 H ASP A 114 -1.699 16.085 8.139 1.00 41.31 H new ATOM 0 HA ASP A 114 -3.946 17.480 6.866 1.00 31.42 H new ATOM 0 HB2 ASP A 114 -1.297 18.552 7.900 1.00 74.12 H new ATOM 0 HB3 ASP A 114 -2.409 19.481 6.914 1.00 74.12 H new ATOM 1751 N PRO A 115 -2.917 17.257 4.591 1.00 14.53 N ATOM 1752 CA PRO A 115 -2.340 17.180 3.271 1.00 1.10 C ATOM 1753 C PRO A 115 -1.622 18.473 2.956 1.00 22.33 C ATOM 1754 O PRO A 115 -2.239 19.546 2.927 1.00 1.35 O ATOM 1755 CB PRO A 115 -3.555 17.009 2.337 1.00 22.30 C ATOM 1756 CG PRO A 115 -4.711 16.742 3.236 1.00 33.23 C ATOM 1757 CD PRO A 115 -4.380 17.394 4.537 1.00 53.23 C ATOM 0 HA PRO A 115 -1.617 16.371 3.169 1.00 1.10 H new ATOM 0 HB2 PRO A 115 -3.721 17.906 1.740 1.00 22.30 H new ATOM 0 HB3 PRO A 115 -3.401 16.186 1.640 1.00 22.30 H new ATOM 0 HG2 PRO A 115 -5.632 17.149 2.819 1.00 33.23 H new ATOM 0 HG3 PRO A 115 -4.866 15.671 3.365 1.00 33.23 H new ATOM 0 HD2 PRO A 115 -4.692 18.438 4.560 1.00 53.23 H new ATOM 0 HD3 PRO A 115 -4.867 16.897 5.377 1.00 53.23 H new ATOM 1765 N ARG A 116 -0.334 18.398 2.774 1.00 21.41 N ATOM 1766 CA ARG A 116 0.424 19.573 2.449 1.00 64.13 C ATOM 1767 C ARG A 116 0.400 19.753 0.954 1.00 64.53 C ATOM 1768 O ARG A 116 0.934 18.911 0.226 1.00 21.31 O ATOM 1769 CB ARG A 116 1.870 19.438 2.940 1.00 65.13 C ATOM 1770 CG ARG A 116 2.005 19.150 4.431 1.00 54.34 C ATOM 1771 CD ARG A 116 1.322 20.212 5.282 1.00 44.10 C ATOM 1772 NE ARG A 116 1.509 19.955 6.701 1.00 61.15 N ATOM 1773 CZ ARG A 116 0.915 20.600 7.700 1.00 24.52 C ATOM 1774 NH1 ARG A 116 0.016 21.560 7.462 1.00 14.14 N ATOM 1775 NH2 ARG A 116 1.222 20.282 8.929 1.00 3.41 N ATOM 0 H ARG A 116 0.212 17.539 2.845 1.00 21.41 H new ATOM 0 HA ARG A 116 -0.016 20.441 2.941 1.00 64.13 H new ATOM 0 HB2 ARG A 116 2.357 18.638 2.382 1.00 65.13 H new ATOM 0 HB3 ARG A 116 2.406 20.359 2.710 1.00 65.13 H new ATOM 0 HG2 ARG A 116 1.572 18.175 4.652 1.00 54.34 H new ATOM 0 HG3 ARG A 116 3.061 19.097 4.696 1.00 54.34 H new ATOM 0 HD2 ARG A 116 1.723 21.194 5.032 1.00 44.10 H new ATOM 0 HD3 ARG A 116 0.257 20.235 5.052 1.00 44.10 H new ATOM 0 HE ARG A 116 2.157 19.209 6.954 1.00 61.15 H new ATOM 0 HH11 ARG A 116 -0.224 21.808 6.502 1.00 14.14 H new ATOM 0 HH12 ARG A 116 -0.430 22.045 8.240 1.00 14.14 H new ATOM 0 HH21 ARG A 116 1.908 19.549 9.110 1.00 3.41 H new ATOM 0 HH22 ARG A 116 0.776 20.767 9.708 1.00 3.41 H new ATOM 1789 N MET A 117 -0.249 20.832 0.498 1.00 1.20 N ATOM 1790 CA MET A 117 -0.403 21.176 -0.941 1.00 52.22 C ATOM 1791 C MET A 117 -1.335 20.226 -1.684 1.00 51.55 C ATOM 1792 O MET A 117 -2.237 20.667 -2.404 1.00 72.42 O ATOM 1793 CB MET A 117 0.960 21.289 -1.695 1.00 63.52 C ATOM 1794 CG MET A 117 1.875 22.458 -1.286 1.00 65.14 C ATOM 1795 SD MET A 117 2.482 22.381 0.420 1.00 44.12 S ATOM 1796 CE MET A 117 3.516 23.846 0.460 1.00 34.33 C ATOM 0 H MET A 117 -0.693 21.508 1.120 1.00 1.20 H new ATOM 0 HA MET A 117 -0.864 22.164 -0.937 1.00 52.22 H new ATOM 0 HB2 MET A 117 1.509 20.359 -1.549 1.00 63.52 H new ATOM 0 HB3 MET A 117 0.754 21.374 -2.762 1.00 63.52 H new ATOM 0 HG2 MET A 117 2.730 22.486 -1.961 1.00 65.14 H new ATOM 0 HG3 MET A 117 1.331 23.393 -1.422 1.00 65.14 H new ATOM 0 HE1 MET A 117 3.968 23.946 1.447 1.00 34.33 H new ATOM 0 HE2 MET A 117 4.301 23.758 -0.291 1.00 34.33 H new ATOM 0 HE3 MET A 117 2.909 24.726 0.248 1.00 34.33 H new ATOM 1920 N GLU A 125 -1.293 10.605 -14.024 1.00 14.12 N ATOM 1921 CA GLU A 125 -1.894 10.503 -12.721 1.00 23.25 C ATOM 1922 C GLU A 125 -3.266 11.160 -12.737 1.00 15.22 C ATOM 1923 O GLU A 125 -4.246 10.550 -12.347 1.00 54.11 O ATOM 1924 CB GLU A 125 -1.001 11.176 -11.697 1.00 0.30 C ATOM 1925 CG GLU A 125 -1.542 11.184 -10.294 1.00 24.14 C ATOM 1926 CD GLU A 125 -0.582 11.807 -9.339 1.00 22.40 C ATOM 1927 OE1 GLU A 125 -0.608 13.053 -9.154 1.00 30.51 O ATOM 1928 OE2 GLU A 125 0.203 11.065 -8.745 1.00 61.40 O ATOM 0 HA GLU A 125 -2.010 9.453 -12.454 1.00 23.25 H new ATOM 0 HB2 GLU A 125 -0.033 10.675 -11.695 1.00 0.30 H new ATOM 0 HB3 GLU A 125 -0.826 12.206 -12.009 1.00 0.30 H new ATOM 0 HG2 GLU A 125 -2.485 11.730 -10.270 1.00 24.14 H new ATOM 0 HG3 GLU A 125 -1.757 10.162 -9.980 1.00 24.14 H new ATOM 1935 N TRP A 126 -3.318 12.397 -13.228 1.00 30.35 N ATOM 1936 CA TRP A 126 -4.570 13.162 -13.346 1.00 74.22 C ATOM 1937 C TRP A 126 -5.603 12.309 -14.104 1.00 41.42 C ATOM 1938 O TRP A 126 -6.760 12.165 -13.680 1.00 61.24 O ATOM 1939 CB TRP A 126 -4.294 14.468 -14.131 1.00 64.42 C ATOM 1940 CG TRP A 126 -5.427 15.474 -14.149 1.00 41.32 C ATOM 1941 CD1 TRP A 126 -6.709 15.287 -14.594 1.00 72.41 C ATOM 1942 CD2 TRP A 126 -5.350 16.848 -13.740 1.00 42.05 C ATOM 1943 NE1 TRP A 126 -7.431 16.442 -14.450 1.00 14.41 N ATOM 1944 CE2 TRP A 126 -6.620 17.417 -13.937 1.00 41.02 C ATOM 1945 CE3 TRP A 126 -4.329 17.649 -13.217 1.00 63.05 C ATOM 1946 CZ2 TRP A 126 -6.899 18.749 -13.629 1.00 43.45 C ATOM 1947 CZ3 TRP A 126 -4.607 18.970 -12.915 1.00 55.15 C ATOM 1948 CH2 TRP A 126 -5.881 19.506 -13.122 1.00 51.24 C ATOM 0 H TRP A 126 -2.495 12.903 -13.557 1.00 30.35 H new ATOM 0 HA TRP A 126 -4.955 13.410 -12.357 1.00 74.22 H new ATOM 0 HB2 TRP A 126 -3.413 14.948 -13.704 1.00 64.42 H new ATOM 0 HB3 TRP A 126 -4.048 14.207 -15.160 1.00 64.42 H new ATOM 0 HD1 TRP A 126 -7.094 14.363 -14.999 1.00 72.41 H new ATOM 0 HE1 TRP A 126 -8.416 16.557 -14.687 1.00 14.41 H new ATOM 0 HE3 TRP A 126 -3.342 17.243 -13.052 1.00 63.05 H new ATOM 0 HZ2 TRP A 126 -7.883 19.166 -13.786 1.00 43.45 H new ATOM 0 HZ3 TRP A 126 -3.826 19.598 -12.512 1.00 55.15 H new ATOM 0 HH2 TRP A 126 -6.065 20.541 -12.876 1.00 51.24 H new ATOM 1959 N ARG A 127 -5.153 11.728 -15.201 1.00 3.45 N ATOM 1960 CA ARG A 127 -5.975 10.885 -16.047 1.00 61.42 C ATOM 1961 C ARG A 127 -6.507 9.665 -15.286 1.00 5.14 C ATOM 1962 O ARG A 127 -7.717 9.384 -15.319 1.00 34.34 O ATOM 1963 CB ARG A 127 -5.151 10.415 -17.246 1.00 34.53 C ATOM 1964 CG ARG A 127 -5.894 9.508 -18.218 1.00 14.04 C ATOM 1965 CD ARG A 127 -4.968 9.031 -19.323 1.00 32.34 C ATOM 1966 NE ARG A 127 -4.396 10.150 -20.079 1.00 1.23 N ATOM 1967 CZ ARG A 127 -3.146 10.196 -20.553 1.00 54.53 C ATOM 1968 NH1 ARG A 127 -2.300 9.192 -20.325 1.00 30.12 N ATOM 1969 NH2 ARG A 127 -2.743 11.243 -21.253 1.00 3.30 N ATOM 0 H ARG A 127 -4.194 11.830 -15.533 1.00 3.45 H new ATOM 0 HA ARG A 127 -6.830 11.473 -16.380 1.00 61.42 H new ATOM 0 HB2 ARG A 127 -4.794 11.290 -17.789 1.00 34.53 H new ATOM 0 HB3 ARG A 127 -4.271 9.887 -16.879 1.00 34.53 H new ATOM 0 HG2 ARG A 127 -6.302 8.650 -17.683 1.00 14.04 H new ATOM 0 HG3 ARG A 127 -6.738 10.045 -18.651 1.00 14.04 H new ATOM 0 HD2 ARG A 127 -4.163 8.436 -18.891 1.00 32.34 H new ATOM 0 HD3 ARG A 127 -5.518 8.378 -20.001 1.00 32.34 H new ATOM 0 HE ARG A 127 -4.997 10.955 -20.257 1.00 1.23 H new ATOM 0 HH11 ARG A 127 -2.604 8.381 -19.786 1.00 30.12 H new ATOM 0 HH12 ARG A 127 -1.348 9.234 -20.690 1.00 30.12 H new ATOM 0 HH21 ARG A 127 -3.385 12.015 -21.431 1.00 3.30 H new ATOM 0 HH22 ARG A 127 -1.790 11.278 -21.615 1.00 3.30 H new ATOM 1983 N VAL A 128 -5.620 8.960 -14.581 1.00 70.32 N ATOM 1984 CA VAL A 128 -6.011 7.739 -13.893 1.00 33.31 C ATOM 1985 C VAL A 128 -6.837 8.008 -12.645 1.00 31.22 C ATOM 1986 O VAL A 128 -7.712 7.235 -12.320 1.00 72.32 O ATOM 1987 CB VAL A 128 -4.824 6.776 -13.580 1.00 63.42 C ATOM 1988 CG1 VAL A 128 -4.093 6.383 -14.853 1.00 44.31 C ATOM 1989 CG2 VAL A 128 -3.868 7.369 -12.569 1.00 21.00 C ATOM 0 H VAL A 128 -4.638 9.214 -14.475 1.00 70.32 H new ATOM 0 HA VAL A 128 -6.646 7.218 -14.609 1.00 33.31 H new ATOM 0 HB VAL A 128 -5.247 5.875 -13.136 1.00 63.42 H new ATOM 0 HG11 VAL A 128 -3.270 5.712 -14.608 1.00 44.31 H new ATOM 0 HG12 VAL A 128 -4.784 5.878 -15.528 1.00 44.31 H new ATOM 0 HG13 VAL A 128 -3.700 7.277 -15.337 1.00 44.31 H new ATOM 0 HG21 VAL A 128 -3.057 6.666 -12.380 1.00 21.00 H new ATOM 0 HG22 VAL A 128 -3.458 8.300 -12.959 1.00 21.00 H new ATOM 0 HG23 VAL A 128 -4.400 7.568 -11.639 1.00 21.00 H new ATOM 1999 N VAL A 129 -6.587 9.130 -11.975 1.00 0.41 N ATOM 2000 CA VAL A 129 -7.362 9.487 -10.783 1.00 45.14 C ATOM 2001 C VAL A 129 -8.789 9.795 -11.195 1.00 61.14 C ATOM 2002 O VAL A 129 -9.744 9.385 -10.538 1.00 30.52 O ATOM 2003 CB VAL A 129 -6.744 10.713 -10.027 1.00 71.53 C ATOM 2004 CG1 VAL A 129 -7.628 11.153 -8.862 1.00 63.13 C ATOM 2005 CG2 VAL A 129 -5.357 10.368 -9.512 1.00 21.43 C ATOM 0 H VAL A 129 -5.864 9.802 -12.230 1.00 0.41 H new ATOM 0 HA VAL A 129 -7.342 8.641 -10.096 1.00 45.14 H new ATOM 0 HB VAL A 129 -6.675 11.538 -10.736 1.00 71.53 H new ATOM 0 HG11 VAL A 129 -7.170 12.005 -8.359 1.00 63.13 H new ATOM 0 HG12 VAL A 129 -8.610 11.439 -9.238 1.00 63.13 H new ATOM 0 HG13 VAL A 129 -7.735 10.330 -8.156 1.00 63.13 H new ATOM 0 HG21 VAL A 129 -4.939 11.228 -8.989 1.00 21.43 H new ATOM 0 HG22 VAL A 129 -5.423 9.523 -8.826 1.00 21.43 H new ATOM 0 HG23 VAL A 129 -4.712 10.105 -10.351 1.00 21.43 H new ATOM 2015 N HIS A 130 -8.925 10.480 -12.315 1.00 52.34 N ATOM 2016 CA HIS A 130 -10.232 10.791 -12.858 1.00 62.01 C ATOM 2017 C HIS A 130 -10.919 9.498 -13.282 1.00 11.22 C ATOM 2018 O HIS A 130 -12.081 9.299 -13.006 1.00 42.01 O ATOM 2019 CB HIS A 130 -10.102 11.772 -14.037 1.00 51.53 C ATOM 2020 CG HIS A 130 -11.390 12.240 -14.651 1.00 63.04 C ATOM 2021 ND1 HIS A 130 -12.029 13.390 -14.260 1.00 72.32 N ATOM 2022 CD2 HIS A 130 -12.130 11.733 -15.666 1.00 33.10 C ATOM 2023 CE1 HIS A 130 -13.099 13.572 -15.001 1.00 45.44 C ATOM 2024 NE2 HIS A 130 -13.181 12.583 -15.860 1.00 25.22 N ATOM 0 H HIS A 130 -8.143 10.832 -12.867 1.00 52.34 H new ATOM 0 HA HIS A 130 -10.842 11.276 -12.096 1.00 62.01 H new ATOM 0 HB2 HIS A 130 -9.546 12.646 -13.697 1.00 51.53 H new ATOM 0 HB3 HIS A 130 -9.504 11.297 -14.815 1.00 51.53 H new ATOM 0 HD2 HIS A 130 -11.927 10.827 -16.218 1.00 33.10 H new ATOM 0 HE1 HIS A 130 -13.793 14.395 -14.917 1.00 45.44 H new ATOM 0 HE2 HIS A 130 -13.913 12.468 -16.561 1.00 25.22 H new ATOM 2033 N ALA A 131 -10.174 8.614 -13.920 1.00 21.32 N ATOM 2034 CA ALA A 131 -10.716 7.339 -14.367 1.00 72.24 C ATOM 2035 C ALA A 131 -11.182 6.494 -13.194 1.00 45.15 C ATOM 2036 O ALA A 131 -12.343 6.061 -13.157 1.00 73.43 O ATOM 2037 CB ALA A 131 -9.707 6.585 -15.214 1.00 22.31 C ATOM 0 H ALA A 131 -9.188 8.754 -14.142 1.00 21.32 H new ATOM 0 HA ALA A 131 -11.586 7.550 -14.988 1.00 72.24 H new ATOM 0 HB1 ALA A 131 -10.138 5.636 -15.535 1.00 22.31 H new ATOM 0 HB2 ALA A 131 -9.449 7.181 -16.090 1.00 22.31 H new ATOM 0 HB3 ALA A 131 -8.808 6.396 -14.627 1.00 22.31 H new ATOM 2043 N GLU A 132 -10.304 6.300 -12.224 1.00 73.32 N ATOM 2044 CA GLU A 132 -10.603 5.478 -11.060 1.00 62.14 C ATOM 2045 C GLU A 132 -11.753 6.055 -10.255 1.00 21.12 C ATOM 2046 O GLU A 132 -12.521 5.318 -9.685 1.00 31.03 O ATOM 2047 CB GLU A 132 -9.370 5.293 -10.174 1.00 54.55 C ATOM 2048 CG GLU A 132 -8.222 4.549 -10.845 1.00 62.25 C ATOM 2049 CD GLU A 132 -8.568 3.123 -11.224 1.00 3.33 C ATOM 2050 OE1 GLU A 132 -8.350 2.208 -10.399 1.00 52.31 O ATOM 2051 OE2 GLU A 132 -9.026 2.880 -12.356 1.00 35.21 O ATOM 0 H GLU A 132 -9.368 6.705 -12.219 1.00 73.32 H new ATOM 0 HA GLU A 132 -10.905 4.498 -11.429 1.00 62.14 H new ATOM 0 HB2 GLU A 132 -9.015 6.273 -9.856 1.00 54.55 H new ATOM 0 HB3 GLU A 132 -9.662 4.752 -9.274 1.00 54.55 H new ATOM 0 HG2 GLU A 132 -7.921 5.092 -11.741 1.00 62.25 H new ATOM 0 HG3 GLU A 132 -7.363 4.540 -10.174 1.00 62.25 H new ATOM 2058 N LYS A 133 -11.879 7.384 -10.257 1.00 11.33 N ATOM 2059 CA LYS A 133 -12.945 8.080 -9.535 1.00 33.52 C ATOM 2060 C LYS A 133 -14.321 7.610 -10.060 1.00 4.12 C ATOM 2061 O LYS A 133 -15.272 7.399 -9.295 1.00 41.15 O ATOM 2062 CB LYS A 133 -12.795 9.600 -9.749 1.00 2.34 C ATOM 2063 CG LYS A 133 -13.272 10.422 -8.581 1.00 75.52 C ATOM 2064 CD LYS A 133 -14.714 10.170 -8.268 1.00 13.14 C ATOM 2065 CE LYS A 133 -15.089 10.793 -6.983 1.00 32.53 C ATOM 2066 NZ LYS A 133 -14.346 10.210 -5.840 1.00 22.51 N ATOM 0 H LYS A 133 -11.246 8.007 -10.759 1.00 11.33 H new ATOM 0 HA LYS A 133 -12.874 7.854 -8.471 1.00 33.52 H new ATOM 0 HB2 LYS A 133 -11.747 9.830 -9.941 1.00 2.34 H new ATOM 0 HB3 LYS A 133 -13.353 9.890 -10.639 1.00 2.34 H new ATOM 0 HG2 LYS A 133 -12.666 10.193 -7.705 1.00 75.52 H new ATOM 0 HG3 LYS A 133 -13.128 11.480 -8.800 1.00 75.52 H new ATOM 0 HD2 LYS A 133 -15.339 10.569 -9.067 1.00 13.14 H new ATOM 0 HD3 LYS A 133 -14.899 9.097 -8.224 1.00 13.14 H new ATOM 0 HE2 LYS A 133 -14.896 11.865 -7.031 1.00 32.53 H new ATOM 0 HE3 LYS A 133 -16.160 10.669 -6.820 1.00 32.53 H new ATOM 0 HZ1 LYS A 133 -14.048 10.970 -5.196 1.00 22.51 H new ATOM 0 HZ2 LYS A 133 -14.961 9.545 -5.329 1.00 22.51 H new ATOM 0 HZ3 LYS A 133 -13.507 9.706 -6.192 1.00 22.51 H new ATOM 2080 N PHE A 134 -14.429 7.441 -11.339 1.00 2.03 N ATOM 2081 CA PHE A 134 -15.675 6.984 -11.906 1.00 53.03 C ATOM 2082 C PHE A 134 -15.794 5.466 -11.804 1.00 41.42 C ATOM 2083 O PHE A 134 -16.886 4.937 -11.543 1.00 53.52 O ATOM 2084 CB PHE A 134 -15.865 7.493 -13.336 1.00 21.42 C ATOM 2085 CG PHE A 134 -15.992 8.998 -13.424 1.00 25.52 C ATOM 2086 CD1 PHE A 134 -14.872 9.795 -13.417 1.00 24.44 C ATOM 2087 CD2 PHE A 134 -17.233 9.606 -13.512 1.00 34.35 C ATOM 2088 CE1 PHE A 134 -14.964 11.160 -13.489 1.00 0.15 C ATOM 2089 CE2 PHE A 134 -17.342 10.982 -13.590 1.00 1.43 C ATOM 2090 CZ PHE A 134 -16.202 11.761 -13.576 1.00 52.14 C ATOM 0 H PHE A 134 -13.682 7.608 -12.013 1.00 2.03 H new ATOM 0 HA PHE A 134 -16.490 7.410 -11.320 1.00 53.03 H new ATOM 0 HB2 PHE A 134 -15.020 7.171 -13.944 1.00 21.42 H new ATOM 0 HB3 PHE A 134 -16.758 7.035 -13.762 1.00 21.42 H new ATOM 0 HD1 PHE A 134 -13.897 9.335 -13.353 1.00 24.44 H new ATOM 0 HD2 PHE A 134 -18.126 8.998 -13.520 1.00 34.35 H new ATOM 0 HE1 PHE A 134 -14.069 11.764 -13.478 1.00 0.15 H new ATOM 0 HE2 PHE A 134 -18.315 11.446 -13.662 1.00 1.43 H new ATOM 0 HZ PHE A 134 -16.280 12.837 -13.633 1.00 52.14 H new ATOM 2100 N VAL A 135 -14.666 4.769 -11.963 1.00 42.32 N ATOM 2101 CA VAL A 135 -14.640 3.308 -11.842 1.00 31.24 C ATOM 2102 C VAL A 135 -15.040 2.857 -10.421 1.00 24.13 C ATOM 2103 O VAL A 135 -15.853 1.933 -10.261 1.00 2.44 O ATOM 2104 CB VAL A 135 -13.254 2.701 -12.225 1.00 72.53 C ATOM 2105 CG1 VAL A 135 -13.253 1.194 -12.052 1.00 33.01 C ATOM 2106 CG2 VAL A 135 -12.894 3.046 -13.658 1.00 15.42 C ATOM 0 H VAL A 135 -13.762 5.190 -12.175 1.00 42.32 H new ATOM 0 HA VAL A 135 -15.374 2.929 -12.554 1.00 31.24 H new ATOM 0 HB VAL A 135 -12.510 3.133 -11.555 1.00 72.53 H new ATOM 0 HG11 VAL A 135 -12.275 0.797 -12.326 1.00 33.01 H new ATOM 0 HG12 VAL A 135 -13.467 0.947 -11.012 1.00 33.01 H new ATOM 0 HG13 VAL A 135 -14.016 0.754 -12.694 1.00 33.01 H new ATOM 0 HG21 VAL A 135 -11.924 2.613 -13.904 1.00 15.42 H new ATOM 0 HG22 VAL A 135 -13.652 2.644 -14.330 1.00 15.42 H new ATOM 0 HG23 VAL A 135 -12.847 4.129 -13.771 1.00 15.42 H new ATOM 2116 N GLU A 136 -14.491 3.525 -9.395 1.00 34.12 N ATOM 2117 CA GLU A 136 -14.817 3.209 -8.002 1.00 1.13 C ATOM 2118 C GLU A 136 -16.297 3.401 -7.756 1.00 11.03 C ATOM 2119 O GLU A 136 -16.910 2.628 -7.052 1.00 2.25 O ATOM 2120 CB GLU A 136 -14.025 4.073 -7.005 1.00 51.43 C ATOM 2121 CG GLU A 136 -14.280 5.542 -7.180 1.00 13.23 C ATOM 2122 CD GLU A 136 -13.628 6.420 -6.165 1.00 14.10 C ATOM 2123 OE1 GLU A 136 -12.415 6.608 -6.221 1.00 72.34 O ATOM 2124 OE2 GLU A 136 -14.352 6.961 -5.295 1.00 1.21 O ATOM 0 H GLU A 136 -13.821 4.286 -9.507 1.00 34.12 H new ATOM 0 HA GLU A 136 -14.539 2.167 -7.840 1.00 1.13 H new ATOM 0 HB2 GLU A 136 -14.289 3.781 -5.988 1.00 51.43 H new ATOM 0 HB3 GLU A 136 -12.960 3.876 -7.127 1.00 51.43 H new ATOM 0 HG2 GLU A 136 -13.936 5.840 -8.171 1.00 13.23 H new ATOM 0 HG3 GLU A 136 -15.356 5.715 -7.151 1.00 13.23 H new ATOM 2131 N THR A 137 -16.871 4.427 -8.376 1.00 73.40 N ATOM 2132 CA THR A 137 -18.261 4.722 -8.203 1.00 33.22 C ATOM 2133 C THR A 137 -19.105 3.576 -8.760 1.00 34.14 C ATOM 2134 O THR A 137 -20.044 3.116 -8.107 1.00 31.54 O ATOM 2135 CB THR A 137 -18.643 6.063 -8.866 1.00 2.53 C ATOM 2136 OG1 THR A 137 -17.797 7.121 -8.328 1.00 13.32 O ATOM 2137 CG2 THR A 137 -20.106 6.397 -8.579 1.00 4.10 C ATOM 0 H THR A 137 -16.379 5.063 -9.003 1.00 73.40 H new ATOM 0 HA THR A 137 -18.461 4.824 -7.136 1.00 33.22 H new ATOM 0 HB THR A 137 -18.501 5.980 -9.944 1.00 2.53 H new ATOM 0 HG1 THR A 137 -16.907 7.066 -8.734 1.00 13.32 H new ATOM 0 HG21 THR A 137 -20.362 7.345 -9.052 1.00 4.10 H new ATOM 0 HG22 THR A 137 -20.744 5.608 -8.977 1.00 4.10 H new ATOM 0 HG23 THR A 137 -20.257 6.476 -7.502 1.00 4.10 H new ATOM 2145 N PHE A 138 -18.734 3.090 -9.945 1.00 3.43 N ATOM 2146 CA PHE A 138 -19.407 1.959 -10.553 1.00 23.21 C ATOM 2147 C PHE A 138 -19.295 0.746 -9.642 1.00 52.40 C ATOM 2148 O PHE A 138 -20.286 0.062 -9.377 1.00 1.44 O ATOM 2149 CB PHE A 138 -18.794 1.649 -11.926 1.00 44.04 C ATOM 2150 CG PHE A 138 -19.412 0.466 -12.624 1.00 22.44 C ATOM 2151 CD1 PHE A 138 -20.591 0.606 -13.333 1.00 42.01 C ATOM 2152 CD2 PHE A 138 -18.812 -0.783 -12.568 1.00 23.45 C ATOM 2153 CE1 PHE A 138 -21.164 -0.475 -13.974 1.00 22.14 C ATOM 2154 CE2 PHE A 138 -19.378 -1.870 -13.208 1.00 64.34 C ATOM 2155 CZ PHE A 138 -20.557 -1.715 -13.910 1.00 33.22 C ATOM 0 H PHE A 138 -17.966 3.469 -10.499 1.00 3.43 H new ATOM 0 HA PHE A 138 -20.460 2.205 -10.692 1.00 23.21 H new ATOM 0 HB2 PHE A 138 -18.896 2.527 -12.564 1.00 44.04 H new ATOM 0 HB3 PHE A 138 -17.726 1.467 -11.802 1.00 44.04 H new ATOM 0 HD1 PHE A 138 -21.070 1.573 -13.386 1.00 42.01 H new ATOM 0 HD2 PHE A 138 -17.891 -0.908 -12.018 1.00 23.45 H new ATOM 0 HE1 PHE A 138 -22.085 -0.351 -14.524 1.00 22.14 H new ATOM 0 HE2 PHE A 138 -18.900 -2.837 -13.159 1.00 64.34 H new ATOM 0 HZ PHE A 138 -21.004 -2.562 -14.409 1.00 33.22 H new ATOM 2165 N ARG A 139 -18.089 0.513 -9.146 1.00 15.51 N ATOM 2166 CA ARG A 139 -17.808 -0.611 -8.272 1.00 74.41 C ATOM 2167 C ARG A 139 -18.562 -0.531 -6.952 1.00 73.33 C ATOM 2168 O ARG A 139 -19.186 -1.498 -6.553 1.00 64.41 O ATOM 2169 CB ARG A 139 -16.312 -0.777 -8.032 1.00 72.21 C ATOM 2170 CG ARG A 139 -15.536 -1.198 -9.262 1.00 44.53 C ATOM 2171 CD ARG A 139 -14.053 -1.313 -8.967 1.00 11.55 C ATOM 2172 NE ARG A 139 -13.309 -1.811 -10.129 1.00 44.21 N ATOM 2173 CZ ARG A 139 -11.987 -1.695 -10.317 1.00 21.34 C ATOM 2174 NH1 ARG A 139 -11.227 -1.096 -9.402 1.00 43.25 N ATOM 2175 NH2 ARG A 139 -11.433 -2.191 -11.424 1.00 53.35 N ATOM 0 H ARG A 139 -17.278 1.100 -9.340 1.00 15.51 H new ATOM 0 HA ARG A 139 -18.169 -1.497 -8.793 1.00 74.41 H new ATOM 0 HB2 ARG A 139 -15.906 0.165 -7.664 1.00 72.21 H new ATOM 0 HB3 ARG A 139 -16.160 -1.518 -7.247 1.00 72.21 H new ATOM 0 HG2 ARG A 139 -15.912 -2.156 -9.622 1.00 44.53 H new ATOM 0 HG3 ARG A 139 -15.695 -0.473 -10.060 1.00 44.53 H new ATOM 0 HD2 ARG A 139 -13.663 -0.338 -8.675 1.00 11.55 H new ATOM 0 HD3 ARG A 139 -13.900 -1.984 -8.122 1.00 11.55 H new ATOM 0 HE ARG A 139 -13.843 -2.286 -10.856 1.00 44.21 H new ATOM 0 HH11 ARG A 139 -11.650 -0.723 -8.553 1.00 43.25 H new ATOM 0 HH12 ARG A 139 -10.222 -1.011 -9.551 1.00 43.25 H new ATOM 0 HH21 ARG A 139 -12.015 -2.655 -12.121 1.00 53.35 H new ATOM 0 HH22 ARG A 139 -10.428 -2.106 -11.573 1.00 53.35 H new ATOM 2189 N LYS A 140 -18.504 0.615 -6.285 1.00 32.01 N ATOM 2190 CA LYS A 140 -19.206 0.802 -5.012 1.00 21.42 C ATOM 2191 C LYS A 140 -20.710 0.618 -5.190 1.00 74.44 C ATOM 2192 O LYS A 140 -21.346 -0.102 -4.415 1.00 72.23 O ATOM 2193 CB LYS A 140 -18.929 2.182 -4.404 1.00 70.53 C ATOM 2194 CG LYS A 140 -17.473 2.469 -4.014 1.00 53.12 C ATOM 2195 CD LYS A 140 -16.974 1.552 -2.902 1.00 74.23 C ATOM 2196 CE LYS A 140 -15.532 1.876 -2.528 1.00 12.11 C ATOM 2197 NZ LYS A 140 -15.011 0.990 -1.458 1.00 43.04 N ATOM 0 H LYS A 140 -17.980 1.431 -6.600 1.00 32.01 H new ATOM 0 HA LYS A 140 -18.827 0.044 -4.327 1.00 21.42 H new ATOM 0 HB2 LYS A 140 -19.249 2.941 -5.117 1.00 70.53 H new ATOM 0 HB3 LYS A 140 -19.551 2.297 -3.516 1.00 70.53 H new ATOM 0 HG2 LYS A 140 -16.836 2.352 -4.890 1.00 53.12 H new ATOM 0 HG3 LYS A 140 -17.384 3.507 -3.692 1.00 53.12 H new ATOM 0 HD2 LYS A 140 -17.613 1.658 -2.025 1.00 74.23 H new ATOM 0 HD3 LYS A 140 -17.045 0.513 -3.224 1.00 74.23 H new ATOM 0 HE2 LYS A 140 -14.901 1.783 -3.412 1.00 12.11 H new ATOM 0 HE3 LYS A 140 -15.469 2.913 -2.199 1.00 12.11 H new ATOM 0 HZ1 LYS A 140 -14.028 1.250 -1.240 1.00 43.04 H new ATOM 0 HZ2 LYS A 140 -15.595 1.096 -0.604 1.00 43.04 H new ATOM 0 HZ3 LYS A 140 -15.044 0.001 -1.779 1.00 43.04 H new ATOM 2211 N MET A 141 -21.274 1.254 -6.230 1.00 60.40 N ATOM 2212 CA MET A 141 -22.713 1.133 -6.511 1.00 61.45 C ATOM 2213 C MET A 141 -23.057 -0.301 -6.847 1.00 51.42 C ATOM 2214 O MET A 141 -24.143 -0.780 -6.533 1.00 63.21 O ATOM 2215 CB MET A 141 -23.173 2.064 -7.648 1.00 14.42 C ATOM 2216 CG MET A 141 -23.005 3.547 -7.373 1.00 21.45 C ATOM 2217 SD MET A 141 -23.664 4.590 -8.708 1.00 62.35 S ATOM 2218 CE MET A 141 -22.765 3.966 -10.137 1.00 62.11 C ATOM 0 H MET A 141 -20.763 1.849 -6.882 1.00 60.40 H new ATOM 0 HA MET A 141 -23.243 1.439 -5.609 1.00 61.45 H new ATOM 0 HB2 MET A 141 -22.616 1.812 -8.551 1.00 14.42 H new ATOM 0 HB3 MET A 141 -24.224 1.866 -7.856 1.00 14.42 H new ATOM 0 HG2 MET A 141 -23.509 3.798 -6.440 1.00 21.45 H new ATOM 0 HG3 MET A 141 -21.947 3.768 -7.234 1.00 21.45 H new ATOM 0 HE1 MET A 141 -22.831 4.687 -10.952 1.00 62.11 H new ATOM 0 HE2 MET A 141 -21.719 3.814 -9.871 1.00 62.11 H new ATOM 0 HE3 MET A 141 -23.200 3.019 -10.455 1.00 62.11 H new ATOM 2228 N LEU A 142 -22.114 -0.986 -7.476 1.00 41.41 N ATOM 2229 CA LEU A 142 -22.271 -2.386 -7.806 1.00 3.13 C ATOM 2230 C LEU A 142 -22.410 -3.183 -6.533 1.00 61.13 C ATOM 2231 O LEU A 142 -23.310 -3.979 -6.407 1.00 44.53 O ATOM 2232 CB LEU A 142 -21.071 -2.892 -8.624 1.00 23.44 C ATOM 2233 CG LEU A 142 -21.084 -4.366 -9.036 1.00 11.23 C ATOM 2234 CD1 LEU A 142 -22.253 -4.663 -9.957 1.00 21.23 C ATOM 2235 CD2 LEU A 142 -19.767 -4.748 -9.696 1.00 12.00 C ATOM 0 H LEU A 142 -21.223 -0.585 -7.769 1.00 41.41 H new ATOM 0 HA LEU A 142 -23.167 -2.510 -8.414 1.00 3.13 H new ATOM 0 HB2 LEU A 142 -20.998 -2.288 -9.528 1.00 23.44 H new ATOM 0 HB3 LEU A 142 -20.165 -2.710 -8.045 1.00 23.44 H new ATOM 0 HG LEU A 142 -21.205 -4.969 -8.136 1.00 11.23 H new ATOM 0 HD11 LEU A 142 -22.239 -5.717 -10.235 1.00 21.23 H new ATOM 0 HD12 LEU A 142 -23.187 -4.436 -9.444 1.00 21.23 H new ATOM 0 HD13 LEU A 142 -22.174 -4.050 -10.855 1.00 21.23 H new ATOM 0 HD21 LEU A 142 -19.795 -5.799 -9.982 1.00 12.00 H new ATOM 0 HD22 LEU A 142 -19.613 -4.134 -10.584 1.00 12.00 H new ATOM 0 HD23 LEU A 142 -18.948 -4.584 -8.996 1.00 12.00 H new ATOM 2247 N GLU A 143 -21.534 -2.917 -5.579 1.00 54.40 N ATOM 2248 CA GLU A 143 -21.547 -3.612 -4.303 1.00 32.41 C ATOM 2249 C GLU A 143 -22.865 -3.372 -3.586 1.00 11.24 C ATOM 2250 O GLU A 143 -23.498 -4.305 -3.114 1.00 43.33 O ATOM 2251 CB GLU A 143 -20.399 -3.139 -3.418 1.00 71.45 C ATOM 2252 CG GLU A 143 -19.045 -3.230 -4.083 1.00 4.01 C ATOM 2253 CD GLU A 143 -17.923 -2.854 -3.173 1.00 13.13 C ATOM 2254 OE1 GLU A 143 -17.676 -1.658 -2.976 1.00 42.32 O ATOM 2255 OE2 GLU A 143 -17.250 -3.756 -2.647 1.00 25.41 O ATOM 0 H GLU A 143 -20.797 -2.217 -5.666 1.00 54.40 H new ATOM 0 HA GLU A 143 -21.428 -4.678 -4.499 1.00 32.41 H new ATOM 0 HB2 GLU A 143 -20.581 -2.106 -3.123 1.00 71.45 H new ATOM 0 HB3 GLU A 143 -20.387 -3.734 -2.505 1.00 71.45 H new ATOM 0 HG2 GLU A 143 -18.890 -4.248 -4.441 1.00 4.01 H new ATOM 0 HG3 GLU A 143 -19.031 -2.579 -4.957 1.00 4.01 H new ATOM 2262 N TRP A 144 -23.288 -2.119 -3.541 1.00 5.12 N ATOM 2263 CA TRP A 144 -24.513 -1.759 -2.850 1.00 4.33 C ATOM 2264 C TRP A 144 -25.759 -2.341 -3.514 1.00 13.04 C ATOM 2265 O TRP A 144 -26.697 -2.764 -2.827 1.00 61.25 O ATOM 2266 CB TRP A 144 -24.643 -0.240 -2.677 1.00 65.53 C ATOM 2267 CG TRP A 144 -23.562 0.353 -1.828 1.00 50.42 C ATOM 2268 CD1 TRP A 144 -23.106 -0.130 -0.641 1.00 23.23 C ATOM 2269 CD2 TRP A 144 -22.834 1.559 -2.078 1.00 41.05 C ATOM 2270 NE1 TRP A 144 -22.108 0.669 -0.162 1.00 51.55 N ATOM 2271 CE2 TRP A 144 -21.927 1.719 -1.018 1.00 42.41 C ATOM 2272 CE3 TRP A 144 -22.852 2.510 -3.102 1.00 1.41 C ATOM 2273 CZ2 TRP A 144 -21.044 2.792 -0.952 1.00 35.34 C ATOM 2274 CZ3 TRP A 144 -21.979 3.572 -3.032 1.00 11.32 C ATOM 2275 CH2 TRP A 144 -21.085 3.704 -1.965 1.00 34.30 C ATOM 0 H TRP A 144 -22.800 -1.335 -3.975 1.00 5.12 H new ATOM 0 HA TRP A 144 -24.442 -2.207 -1.859 1.00 4.33 H new ATOM 0 HB2 TRP A 144 -24.626 0.233 -3.659 1.00 65.53 H new ATOM 0 HB3 TRP A 144 -25.611 -0.013 -2.231 1.00 65.53 H new ATOM 0 HD1 TRP A 144 -23.479 -1.016 -0.149 1.00 23.23 H new ATOM 0 HE1 TRP A 144 -21.582 0.508 0.697 1.00 51.55 H new ATOM 0 HE3 TRP A 144 -23.537 2.414 -3.931 1.00 1.41 H new ATOM 0 HZ2 TRP A 144 -20.352 2.899 -0.130 1.00 35.34 H new ATOM 0 HZ3 TRP A 144 -21.985 4.316 -3.815 1.00 11.32 H new ATOM 0 HH2 TRP A 144 -20.411 4.548 -1.943 1.00 34.30 H new ATOM 2286 N ASN A 145 -25.761 -2.392 -4.825 1.00 60.50 N ATOM 2287 CA ASN A 145 -26.918 -2.883 -5.567 1.00 15.44 C ATOM 2288 C ASN A 145 -26.920 -4.420 -5.653 1.00 54.13 C ATOM 2289 O ASN A 145 -27.977 -5.051 -5.753 1.00 42.23 O ATOM 2290 CB ASN A 145 -26.942 -2.252 -6.969 1.00 13.25 C ATOM 2291 CG ASN A 145 -28.194 -2.573 -7.764 1.00 35.21 C ATOM 2292 OD1 ASN A 145 -29.191 -1.856 -7.676 1.00 70.12 O ATOM 2293 ND2 ASN A 145 -28.155 -3.615 -8.557 1.00 3.41 N ATOM 0 H ASN A 145 -24.977 -2.101 -5.409 1.00 60.50 H new ATOM 0 HA ASN A 145 -27.821 -2.590 -5.032 1.00 15.44 H new ATOM 0 HB2 ASN A 145 -26.852 -1.170 -6.872 1.00 13.25 H new ATOM 0 HB3 ASN A 145 -26.071 -2.595 -7.527 1.00 13.25 H new ATOM 0 HD21 ASN A 145 -28.967 -3.854 -9.126 1.00 3.41 H new ATOM 0 HD22 ASN A 145 -27.312 -4.188 -8.605 1.00 3.41 H new ATOM 2300 N LYS A 146 -25.742 -5.012 -5.615 1.00 74.22 N ATOM 2301 CA LYS A 146 -25.603 -6.464 -5.674 1.00 34.12 C ATOM 2302 C LYS A 146 -25.887 -7.077 -4.304 1.00 23.04 C ATOM 2303 O LYS A 146 -26.433 -8.170 -4.210 1.00 72.41 O ATOM 2304 CB LYS A 146 -24.174 -6.816 -6.215 1.00 44.54 C ATOM 2305 CG LYS A 146 -23.791 -8.303 -6.363 1.00 31.42 C ATOM 2306 CD LYS A 146 -23.524 -8.983 -5.029 1.00 22.43 C ATOM 2307 CE LYS A 146 -23.090 -10.414 -5.221 1.00 12.23 C ATOM 2308 NZ LYS A 146 -22.823 -11.089 -3.936 1.00 31.51 N ATOM 0 H LYS A 146 -24.857 -4.509 -5.543 1.00 74.22 H new ATOM 0 HA LYS A 146 -26.334 -6.892 -6.361 1.00 34.12 H new ATOM 0 HB2 LYS A 146 -24.064 -6.346 -7.192 1.00 44.54 H new ATOM 0 HB3 LYS A 146 -23.444 -6.350 -5.553 1.00 44.54 H new ATOM 0 HG2 LYS A 146 -24.594 -8.830 -6.879 1.00 31.42 H new ATOM 0 HG3 LYS A 146 -22.903 -8.383 -6.990 1.00 31.42 H new ATOM 0 HD2 LYS A 146 -22.752 -8.436 -4.488 1.00 22.43 H new ATOM 0 HD3 LYS A 146 -24.425 -8.953 -4.416 1.00 22.43 H new ATOM 0 HE2 LYS A 146 -23.864 -10.958 -5.762 1.00 12.23 H new ATOM 0 HE3 LYS A 146 -22.192 -10.441 -5.838 1.00 12.23 H new ATOM 0 HZ1 LYS A 146 -22.528 -12.070 -4.114 1.00 31.51 H new ATOM 0 HZ2 LYS A 146 -22.066 -10.586 -3.430 1.00 31.51 H new ATOM 0 HZ3 LYS A 146 -23.687 -11.087 -3.357 1.00 31.51 H new ATOM 2322 N ASN A 147 -25.555 -6.349 -3.261 1.00 71.43 N ATOM 2323 CA ASN A 147 -25.766 -6.807 -1.892 1.00 54.31 C ATOM 2324 C ASN A 147 -27.261 -6.841 -1.546 1.00 60.33 C ATOM 2325 O ASN A 147 -27.933 -5.807 -1.556 1.00 55.12 O ATOM 2326 CB ASN A 147 -25.000 -5.905 -0.917 1.00 51.51 C ATOM 2327 CG ASN A 147 -25.228 -6.231 0.552 1.00 71.15 C ATOM 2328 OD1 ASN A 147 -25.480 -7.373 0.936 1.00 45.32 O ATOM 2329 ND2 ASN A 147 -25.158 -5.222 1.381 1.00 22.41 N ATOM 0 H ASN A 147 -25.132 -5.424 -3.330 1.00 71.43 H new ATOM 0 HA ASN A 147 -25.385 -7.824 -1.803 1.00 54.31 H new ATOM 0 HB2 ASN A 147 -23.934 -5.980 -1.132 1.00 51.51 H new ATOM 0 HB3 ASN A 147 -25.289 -4.869 -1.096 1.00 51.51 H new ATOM 0 HD21 ASN A 147 -25.314 -5.369 2.378 1.00 22.41 H new ATOM 0 HD22 ASN A 147 -24.947 -4.288 1.030 1.00 22.41 H new ATOM 2336 N PRO A 148 -27.789 -8.039 -1.218 1.00 24.31 N ATOM 2337 CA PRO A 148 -29.216 -8.249 -0.903 1.00 72.22 C ATOM 2338 C PRO A 148 -29.660 -7.545 0.385 1.00 2.04 C ATOM 2339 O PRO A 148 -30.854 -7.411 0.654 1.00 41.04 O ATOM 2340 CB PRO A 148 -29.340 -9.771 -0.755 1.00 21.42 C ATOM 2341 CG PRO A 148 -27.969 -10.232 -0.416 1.00 12.20 C ATOM 2342 CD PRO A 148 -27.027 -9.307 -1.129 1.00 42.25 C ATOM 0 HA PRO A 148 -29.856 -7.830 -1.679 1.00 72.22 H new ATOM 0 HB2 PRO A 148 -30.051 -10.036 0.027 1.00 21.42 H new ATOM 0 HB3 PRO A 148 -29.695 -10.231 -1.677 1.00 21.42 H new ATOM 0 HG2 PRO A 148 -27.803 -10.202 0.661 1.00 12.20 H new ATOM 0 HG3 PRO A 148 -27.816 -11.264 -0.733 1.00 12.20 H new ATOM 0 HD2 PRO A 148 -26.096 -9.178 -0.577 1.00 42.25 H new ATOM 0 HD3 PRO A 148 -26.762 -9.686 -2.116 1.00 42.25 H new ATOM 2350 N ASN A 149 -28.694 -7.117 1.186 1.00 32.14 N ATOM 2351 CA ASN A 149 -28.984 -6.467 2.464 1.00 21.21 C ATOM 2352 C ASN A 149 -29.579 -5.064 2.255 1.00 11.51 C ATOM 2353 O ASN A 149 -30.321 -4.554 3.103 1.00 31.20 O ATOM 2354 CB ASN A 149 -27.728 -6.434 3.333 1.00 4.50 C ATOM 2355 CG ASN A 149 -27.958 -5.839 4.702 1.00 51.42 C ATOM 2356 OD1 ASN A 149 -27.793 -4.641 4.907 1.00 75.41 O ATOM 2357 ND2 ASN A 149 -28.320 -6.664 5.643 1.00 41.13 N ATOM 0 H ASN A 149 -27.700 -7.207 0.976 1.00 32.14 H new ATOM 0 HA ASN A 149 -29.740 -7.051 2.990 1.00 21.21 H new ATOM 0 HB2 ASN A 149 -27.347 -7.449 3.446 1.00 4.50 H new ATOM 0 HB3 ASN A 149 -26.956 -5.859 2.821 1.00 4.50 H new ATOM 0 HD21 ASN A 149 -28.477 -6.320 6.590 1.00 41.13 H new ATOM 0 HD22 ASN A 149 -28.447 -7.654 5.432 1.00 41.13 H new ATOM 2364 N GLY A 150 -29.275 -4.465 1.119 1.00 4.43 N ATOM 2365 CA GLY A 150 -29.903 -3.214 0.751 1.00 34.14 C ATOM 2366 C GLY A 150 -29.331 -1.975 1.412 1.00 1.02 C ATOM 2367 O GLY A 150 -30.061 -1.038 1.681 1.00 51.33 O ATOM 0 H GLY A 150 -28.602 -4.822 0.441 1.00 4.43 H new ATOM 0 HA2 GLY A 150 -29.828 -3.095 -0.330 1.00 34.14 H new ATOM 0 HA3 GLY A 150 -30.964 -3.276 0.992 1.00 34.14 H new