USER MOD reduce.3.24.130724 H: found=0, std=0, add=813, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 814 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 16 HIS : no HE2:sc= -6.56! C(o=-6.7!,f=-9.7!) USER MOD Set 1.2: A 108 CYS SG : rot 39:sc= -0.118 USER MOD Set 2.1: A 88 MET CE :methyl 180:sc= -1.01 (180deg=-0.991) USER MOD Set 2.2: A 90 THR OG1 : rot -91:sc= -0.407 USER MOD Set 2.3: A 110 ASN : amide:sc= -0.028 K(o=-1.4,f=-5.5) USER MOD Set 3.1: A 35 TYR OH : rot -139:sc= 1.05 USER MOD Set 3.2: A 83 GLN : amide:sc= -0.816 X(o=0.24,f=0.058) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 96:sc= 0.275 USER MOD Single : A 17 ASN : amide:sc= 0.659 K(o=0.66,f=-5.7!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 29 CYS SG : rot 84:sc= -0.133 USER MOD Single : A 32 THR OG1 : rot 84:sc= 0.884 USER MOD Single : A 36 GLN : amide:sc= -0.646 K(o=-0.65,f=-0.11) USER MOD Single : A 38 GLN : amide:sc= -1.5! C(o=-1.5!,f=-5.2!) USER MOD Single : A 43 LYS NZ :NH3+ 166:sc= 1.21 (180deg=1.06) USER MOD Single : A 44 ASN : amide:sc= 0.807 K(o=0.81,f=0.19) USER MOD Single : A 49 CYS SG : rot 73:sc= -2.91! USER MOD Single : A 50 HIS : no HE2:sc= -0.13 K(o=-0.13,f=-6.9!) USER MOD Single : A 54 GLN : amide:sc= 0.109 K(o=0.11,f=-1.6) USER MOD Single : A 55 GLN : amide:sc= -0.183 K(o=-0.18,f=-3.6!) USER MOD Single : A 60 SER OG : rot 89:sc= 0.213 USER MOD Single : A 62 GLN : amide:sc= -1.02 K(o=-1,f=-0.057) USER MOD Single : A 63 GLN : amide:sc= -1.02! K(o=-1!,f=-0.09) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN : amide:sc= 0.133 K(o=0.13,f=-5.8!) USER MOD Single : A 73 SER OG : rot 35:sc= 0.0851 USER MOD Single : A 75 MET CE :methyl 150:sc= 0 (180deg=-0.394) USER MOD Single : A 80 SER OG : rot 180:sc= -0.237 USER MOD Single : A 81 LYS NZ :NH3+ -153:sc= 1.13 (180deg=0.672) USER MOD Single : A 82 ASN : amide:sc= 1.21 K(o=1.2,f=-0.22) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 75:sc= 0.596 USER MOD Single : A 94 THR OG1 : rot 41:sc= -0.352 USER MOD Single : A 96 GLN : amide:sc= -2.92! C(o=-2.9!,f=-3.7!) USER MOD Single : A 105 TYR OH : rot -54:sc= 0.019 USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 THR OG1 : rot -103:sc= 1.28 USER MOD Single : A 112 ASN : amide:sc= -1.81 K(o=-1.8,f=-0.39) USER MOD ----------------------------------------------------------------- ATOM 107 N PRO A 9 -2.038 11.030 -10.539 1.00 0.00 N ATOM 108 CA PRO A 9 -2.189 9.729 -11.204 1.00 0.00 C ATOM 109 C PRO A 9 -2.808 8.681 -10.272 1.00 0.00 C ATOM 110 O PRO A 9 -2.825 8.857 -9.051 1.00 0.00 O ATOM 111 CB PRO A 9 -0.750 9.329 -11.553 1.00 0.00 C ATOM 112 CG PRO A 9 0.034 10.595 -11.518 1.00 0.00 C ATOM 113 CD PRO A 9 -0.637 11.476 -10.504 1.00 0.00 C ATOM 0 HA PRO A 9 -2.850 9.790 -12.068 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -0.359 8.605 -10.838 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.700 8.863 -12.537 1.00 0.00 H new ATOM 0 HG2 PRO A 9 1.071 10.403 -11.242 1.00 0.00 H new ATOM 0 HG3 PRO A 9 0.048 11.071 -12.498 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -0.201 11.352 -9.513 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -0.544 12.531 -10.764 1.00 0.00 H new ATOM 121 N THR A 10 -3.280 7.582 -10.849 1.00 0.00 N ATOM 122 CA THR A 10 -3.980 6.547 -10.091 1.00 0.00 C ATOM 123 C THR A 10 -3.007 5.482 -9.559 1.00 0.00 C ATOM 124 O THR A 10 -3.375 4.323 -9.349 1.00 0.00 O ATOM 125 CB THR A 10 -5.062 5.883 -10.967 1.00 0.00 C ATOM 126 OG1 THR A 10 -5.651 6.872 -11.822 1.00 0.00 O ATOM 127 CG2 THR A 10 -6.154 5.262 -10.108 1.00 0.00 C ATOM 0 H THR A 10 -3.191 7.382 -11.845 1.00 0.00 H new ATOM 0 HA THR A 10 -4.454 7.027 -9.235 1.00 0.00 H new ATOM 0 HB THR A 10 -4.591 5.098 -11.558 1.00 0.00 H new ATOM 0 HG1 THR A 10 -6.338 6.453 -12.382 1.00 0.00 H new ATOM 0 HG21 THR A 10 -6.904 4.801 -10.750 1.00 0.00 H new ATOM 0 HG22 THR A 10 -5.718 4.504 -9.457 1.00 0.00 H new ATOM 0 HG23 THR A 10 -6.623 6.036 -9.500 1.00 0.00 H new ATOM 135 N GLU A 11 -1.760 5.884 -9.375 1.00 0.00 N ATOM 136 CA GLU A 11 -0.761 5.050 -8.725 1.00 0.00 C ATOM 137 C GLU A 11 0.010 5.895 -7.721 1.00 0.00 C ATOM 138 O GLU A 11 0.410 7.012 -8.042 1.00 0.00 O ATOM 139 CB GLU A 11 0.204 4.461 -9.761 1.00 0.00 C ATOM 140 CG GLU A 11 1.320 3.622 -9.155 1.00 0.00 C ATOM 141 CD GLU A 11 2.293 3.106 -10.191 1.00 0.00 C ATOM 142 OE1 GLU A 11 1.979 2.097 -10.852 1.00 0.00 O ATOM 143 OE2 GLU A 11 3.376 3.705 -10.347 1.00 0.00 O ATOM 0 H GLU A 11 -1.412 6.796 -9.671 1.00 0.00 H new ATOM 0 HA GLU A 11 -1.258 4.226 -8.213 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -0.361 3.846 -10.461 1.00 0.00 H new ATOM 0 HB3 GLU A 11 0.646 5.275 -10.336 1.00 0.00 H new ATOM 0 HG2 GLU A 11 1.861 4.220 -8.421 1.00 0.00 H new ATOM 0 HG3 GLU A 11 0.885 2.778 -8.620 1.00 0.00 H new ATOM 150 N PHE A 12 0.229 5.377 -6.520 1.00 0.00 N ATOM 151 CA PHE A 12 0.933 6.141 -5.499 1.00 0.00 C ATOM 152 C PHE A 12 2.035 5.321 -4.845 1.00 0.00 C ATOM 153 O PHE A 12 2.032 4.091 -4.899 1.00 0.00 O ATOM 154 CB PHE A 12 -0.032 6.695 -4.438 1.00 0.00 C ATOM 155 CG PHE A 12 -0.685 5.675 -3.538 1.00 0.00 C ATOM 156 CD1 PHE A 12 -1.899 5.103 -3.878 1.00 0.00 C ATOM 157 CD2 PHE A 12 -0.095 5.317 -2.336 1.00 0.00 C ATOM 158 CE1 PHE A 12 -2.509 4.190 -3.038 1.00 0.00 C ATOM 159 CE2 PHE A 12 -0.704 4.408 -1.491 1.00 0.00 C ATOM 160 CZ PHE A 12 -1.913 3.843 -1.842 1.00 0.00 C ATOM 0 H PHE A 12 -0.066 4.444 -6.231 1.00 0.00 H new ATOM 0 HA PHE A 12 1.399 6.988 -6.004 1.00 0.00 H new ATOM 0 HB2 PHE A 12 0.513 7.404 -3.815 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -0.816 7.256 -4.947 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -2.375 5.373 -4.809 1.00 0.00 H new ATOM 0 HD2 PHE A 12 0.852 5.754 -2.056 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -3.454 3.747 -3.318 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -0.234 4.140 -0.556 1.00 0.00 H new ATOM 0 HZ PHE A 12 -2.391 3.132 -1.184 1.00 0.00 H new ATOM 170 N ILE A 13 2.979 6.030 -4.237 1.00 0.00 N ATOM 171 CA ILE A 13 4.105 5.411 -3.555 1.00 0.00 C ATOM 172 C ILE A 13 4.063 5.772 -2.076 1.00 0.00 C ATOM 173 O ILE A 13 3.797 6.921 -1.717 1.00 0.00 O ATOM 174 CB ILE A 13 5.455 5.883 -4.150 1.00 0.00 C ATOM 175 CG1 ILE A 13 5.502 5.628 -5.660 1.00 0.00 C ATOM 176 CG2 ILE A 13 6.623 5.191 -3.457 1.00 0.00 C ATOM 177 CD1 ILE A 13 5.410 4.165 -6.041 1.00 0.00 C ATOM 0 H ILE A 13 2.984 7.049 -4.204 1.00 0.00 H new ATOM 0 HA ILE A 13 4.027 4.332 -3.687 1.00 0.00 H new ATOM 0 HB ILE A 13 5.542 6.956 -3.980 1.00 0.00 H new ATOM 0 HG12 ILE A 13 4.683 6.169 -6.135 1.00 0.00 H new ATOM 0 HG13 ILE A 13 6.429 6.039 -6.059 1.00 0.00 H new ATOM 0 HG21 ILE A 13 7.561 5.538 -3.891 1.00 0.00 H new ATOM 0 HG22 ILE A 13 6.606 5.427 -2.393 1.00 0.00 H new ATOM 0 HG23 ILE A 13 6.538 4.113 -3.591 1.00 0.00 H new ATOM 0 HD11 ILE A 13 5.450 4.068 -7.126 1.00 0.00 H new ATOM 0 HD12 ILE A 13 6.243 3.620 -5.597 1.00 0.00 H new ATOM 0 HD13 ILE A 13 4.470 3.752 -5.675 1.00 0.00 H new ATOM 189 N SER A 14 4.294 4.794 -1.221 1.00 0.00 N ATOM 190 CA SER A 14 4.302 5.039 0.211 1.00 0.00 C ATOM 191 C SER A 14 5.406 4.252 0.904 1.00 0.00 C ATOM 192 O SER A 14 5.704 3.116 0.532 1.00 0.00 O ATOM 193 CB SER A 14 2.943 4.680 0.812 1.00 0.00 C ATOM 194 OG SER A 14 1.913 5.452 0.223 1.00 0.00 O ATOM 0 H SER A 14 4.478 3.827 -1.490 1.00 0.00 H new ATOM 0 HA SER A 14 4.497 6.100 0.369 1.00 0.00 H new ATOM 0 HB2 SER A 14 2.742 3.620 0.659 1.00 0.00 H new ATOM 0 HB3 SER A 14 2.960 4.849 1.889 1.00 0.00 H new ATOM 0 HG SER A 14 1.493 4.940 -0.500 1.00 0.00 H new ATOM 200 N ARG A 15 6.010 4.866 1.908 1.00 0.00 N ATOM 201 CA ARG A 15 6.993 4.201 2.745 1.00 0.00 C ATOM 202 C ARG A 15 6.305 3.768 4.023 1.00 0.00 C ATOM 203 O ARG A 15 5.677 4.590 4.693 1.00 0.00 O ATOM 204 CB ARG A 15 8.144 5.148 3.087 1.00 0.00 C ATOM 205 CG ARG A 15 9.025 5.520 1.909 1.00 0.00 C ATOM 206 CD ARG A 15 10.046 6.570 2.308 1.00 0.00 C ATOM 207 NE ARG A 15 11.120 6.697 1.328 1.00 0.00 N ATOM 208 CZ ARG A 15 11.821 7.808 1.128 1.00 0.00 C ATOM 209 NH1 ARG A 15 11.537 8.913 1.808 1.00 0.00 N ATOM 210 NH2 ARG A 15 12.816 7.817 0.258 1.00 0.00 N ATOM 0 H ARG A 15 5.833 5.837 2.165 1.00 0.00 H new ATOM 0 HA ARG A 15 7.403 3.343 2.213 1.00 0.00 H new ATOM 0 HB2 ARG A 15 7.731 6.060 3.518 1.00 0.00 H new ATOM 0 HB3 ARG A 15 8.763 4.684 3.855 1.00 0.00 H new ATOM 0 HG2 ARG A 15 9.536 4.632 1.537 1.00 0.00 H new ATOM 0 HG3 ARG A 15 8.408 5.898 1.093 1.00 0.00 H new ATOM 0 HD2 ARG A 15 9.548 7.532 2.425 1.00 0.00 H new ATOM 0 HD3 ARG A 15 10.471 6.311 3.278 1.00 0.00 H new ATOM 0 HE ARG A 15 11.347 5.881 0.760 1.00 0.00 H new ATOM 0 HH11 ARG A 15 10.777 8.912 2.488 1.00 0.00 H new ATOM 0 HH12 ARG A 15 12.079 9.763 1.650 1.00 0.00 H new ATOM 0 HH21 ARG A 15 13.047 6.970 -0.261 1.00 0.00 H new ATOM 0 HH22 ARG A 15 13.353 8.671 0.106 1.00 0.00 H new ATOM 224 N HIS A 16 6.398 2.496 4.369 1.00 0.00 N ATOM 225 CA HIS A 16 5.680 2.020 5.533 1.00 0.00 C ATOM 226 C HIS A 16 6.477 1.014 6.348 1.00 0.00 C ATOM 227 O HIS A 16 7.297 0.256 5.824 1.00 0.00 O ATOM 228 CB HIS A 16 4.304 1.446 5.136 1.00 0.00 C ATOM 229 CG HIS A 16 4.306 0.099 4.485 1.00 0.00 C ATOM 230 ND1 HIS A 16 3.322 -0.832 4.731 1.00 0.00 N ATOM 231 CD2 HIS A 16 5.142 -0.468 3.594 1.00 0.00 C ATOM 232 CE1 HIS A 16 3.557 -1.918 4.024 1.00 0.00 C ATOM 233 NE2 HIS A 16 4.655 -1.725 3.321 1.00 0.00 N ATOM 0 H HIS A 16 6.948 1.793 3.875 1.00 0.00 H new ATOM 0 HA HIS A 16 5.523 2.885 6.177 1.00 0.00 H new ATOM 0 HB2 HIS A 16 3.686 1.391 6.032 1.00 0.00 H new ATOM 0 HB3 HIS A 16 3.822 2.152 4.459 1.00 0.00 H new ATOM 0 HD1 HIS A 16 2.533 -0.701 5.363 1.00 0.00 H new ATOM 0 HD2 HIS A 16 6.029 -0.019 3.173 1.00 0.00 H new ATOM 0 HE1 HIS A 16 2.953 -2.813 4.021 1.00 0.00 H new ATOM 242 N ASN A 17 6.202 1.039 7.639 1.00 0.00 N ATOM 243 CA ASN A 17 6.731 0.092 8.600 1.00 0.00 C ATOM 244 C ASN A 17 6.236 -1.305 8.255 1.00 0.00 C ATOM 245 O ASN A 17 5.112 -1.466 7.767 1.00 0.00 O ATOM 246 CB ASN A 17 6.267 0.503 10.003 1.00 0.00 C ATOM 247 CG ASN A 17 6.291 -0.632 11.006 1.00 0.00 C ATOM 248 OD1 ASN A 17 5.347 -1.413 11.089 1.00 0.00 O ATOM 249 ND2 ASN A 17 7.349 -0.722 11.788 1.00 0.00 N ATOM 0 H ASN A 17 5.588 1.738 8.058 1.00 0.00 H new ATOM 0 HA ASN A 17 7.821 0.088 8.573 1.00 0.00 H new ATOM 0 HB2 ASN A 17 6.903 1.310 10.365 1.00 0.00 H new ATOM 0 HB3 ASN A 17 5.254 0.900 9.940 1.00 0.00 H new ATOM 0 HD21 ASN A 17 7.402 -1.459 12.491 1.00 0.00 H new ATOM 0 HD22 ASN A 17 8.114 -0.055 11.690 1.00 0.00 H new ATOM 256 N ILE A 18 7.081 -2.295 8.533 1.00 0.00 N ATOM 257 CA ILE A 18 6.879 -3.676 8.092 1.00 0.00 C ATOM 258 C ILE A 18 5.547 -4.277 8.543 1.00 0.00 C ATOM 259 O ILE A 18 5.064 -5.233 7.936 1.00 0.00 O ATOM 260 CB ILE A 18 8.028 -4.580 8.585 1.00 0.00 C ATOM 261 CG1 ILE A 18 8.159 -4.494 10.110 1.00 0.00 C ATOM 262 CG2 ILE A 18 9.335 -4.187 7.909 1.00 0.00 C ATOM 263 CD1 ILE A 18 9.250 -5.369 10.681 1.00 0.00 C ATOM 0 H ILE A 18 7.934 -2.161 9.076 1.00 0.00 H new ATOM 0 HA ILE A 18 6.865 -3.634 7.003 1.00 0.00 H new ATOM 0 HB ILE A 18 7.800 -5.612 8.320 1.00 0.00 H new ATOM 0 HG12 ILE A 18 8.353 -3.459 10.390 1.00 0.00 H new ATOM 0 HG13 ILE A 18 7.208 -4.774 10.563 1.00 0.00 H new ATOM 0 HG21 ILE A 18 10.138 -4.833 8.266 1.00 0.00 H new ATOM 0 HG22 ILE A 18 9.234 -4.297 6.829 1.00 0.00 H new ATOM 0 HG23 ILE A 18 9.571 -3.150 8.148 1.00 0.00 H new ATOM 0 HD11 ILE A 18 9.280 -5.253 11.764 1.00 0.00 H new ATOM 0 HD12 ILE A 18 9.048 -6.411 10.433 1.00 0.00 H new ATOM 0 HD13 ILE A 18 10.211 -5.075 10.258 1.00 0.00 H new ATOM 275 N GLU A 19 4.954 -3.721 9.590 1.00 0.00 N ATOM 276 CA GLU A 19 3.670 -4.205 10.083 1.00 0.00 C ATOM 277 C GLU A 19 2.527 -3.565 9.303 1.00 0.00 C ATOM 278 O GLU A 19 1.351 -3.796 9.586 1.00 0.00 O ATOM 279 CB GLU A 19 3.536 -3.910 11.576 1.00 0.00 C ATOM 280 CG GLU A 19 4.666 -4.504 12.396 1.00 0.00 C ATOM 281 CD GLU A 19 4.634 -4.086 13.848 1.00 0.00 C ATOM 282 OE1 GLU A 19 5.045 -2.949 14.154 1.00 0.00 O ATOM 283 OE2 GLU A 19 4.234 -4.909 14.699 1.00 0.00 O ATOM 0 H GLU A 19 5.340 -2.936 10.114 1.00 0.00 H new ATOM 0 HA GLU A 19 3.621 -5.284 9.937 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.511 -2.831 11.728 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.586 -4.304 11.936 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.616 -5.591 12.337 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.619 -4.204 11.960 1.00 0.00 H new ATOM 290 N GLY A 20 2.881 -2.748 8.323 1.00 0.00 N ATOM 291 CA GLY A 20 1.892 -2.143 7.467 1.00 0.00 C ATOM 292 C GLY A 20 1.643 -0.689 7.796 1.00 0.00 C ATOM 293 O GLY A 20 0.783 -0.063 7.180 1.00 0.00 O ATOM 0 H GLY A 20 3.845 -2.494 8.107 1.00 0.00 H new ATOM 0 HA2 GLY A 20 2.217 -2.226 6.430 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.956 -2.696 7.553 1.00 0.00 H new ATOM 297 N ILE A 21 2.418 -0.142 8.731 1.00 0.00 N ATOM 298 CA ILE A 21 2.180 1.213 9.234 1.00 0.00 C ATOM 299 C ILE A 21 2.711 2.256 8.262 1.00 0.00 C ATOM 300 O ILE A 21 3.910 2.339 8.047 1.00 0.00 O ATOM 301 CB ILE A 21 2.868 1.452 10.600 1.00 0.00 C ATOM 302 CG1 ILE A 21 2.483 0.371 11.616 1.00 0.00 C ATOM 303 CG2 ILE A 21 2.507 2.832 11.135 1.00 0.00 C ATOM 304 CD1 ILE A 21 0.994 0.275 11.859 1.00 0.00 C ATOM 0 H ILE A 21 3.216 -0.614 9.156 1.00 0.00 H new ATOM 0 HA ILE A 21 1.100 1.309 9.347 1.00 0.00 H new ATOM 0 HB ILE A 21 3.946 1.399 10.448 1.00 0.00 H new ATOM 0 HG12 ILE A 21 2.849 -0.594 11.264 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.985 0.577 12.561 1.00 0.00 H new ATOM 0 HG21 ILE A 21 2.996 2.989 12.096 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.839 3.594 10.430 1.00 0.00 H new ATOM 0 HG23 ILE A 21 1.427 2.902 11.262 1.00 0.00 H new ATOM 0 HD11 ILE A 21 0.794 -0.510 12.588 1.00 0.00 H new ATOM 0 HD12 ILE A 21 0.625 1.227 12.241 1.00 0.00 H new ATOM 0 HD13 ILE A 21 0.487 0.038 10.923 1.00 0.00 H new ATOM 316 N PHE A 22 1.836 3.057 7.681 1.00 0.00 N ATOM 317 CA PHE A 22 2.278 4.082 6.746 1.00 0.00 C ATOM 318 C PHE A 22 3.033 5.193 7.466 1.00 0.00 C ATOM 319 O PHE A 22 2.505 5.830 8.378 1.00 0.00 O ATOM 320 CB PHE A 22 1.101 4.646 5.965 1.00 0.00 C ATOM 321 CG PHE A 22 0.505 3.655 5.014 1.00 0.00 C ATOM 322 CD1 PHE A 22 1.041 3.486 3.748 1.00 0.00 C ATOM 323 CD2 PHE A 22 -0.582 2.887 5.388 1.00 0.00 C ATOM 324 CE1 PHE A 22 0.502 2.569 2.872 1.00 0.00 C ATOM 325 CE2 PHE A 22 -1.125 1.968 4.516 1.00 0.00 C ATOM 326 CZ PHE A 22 -0.583 1.807 3.255 1.00 0.00 C ATOM 0 H PHE A 22 0.828 3.021 7.835 1.00 0.00 H new ATOM 0 HA PHE A 22 2.963 3.616 6.038 1.00 0.00 H new ATOM 0 HB2 PHE A 22 0.333 4.978 6.664 1.00 0.00 H new ATOM 0 HB3 PHE A 22 1.428 5.525 5.409 1.00 0.00 H new ATOM 0 HD1 PHE A 22 1.891 4.079 3.444 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -1.010 3.008 6.372 1.00 0.00 H new ATOM 0 HE1 PHE A 22 0.928 2.447 1.887 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -1.974 1.373 4.818 1.00 0.00 H new ATOM 0 HZ PHE A 22 -1.007 1.087 2.571 1.00 0.00 H new ATOM 336 N THR A 23 4.273 5.402 7.048 1.00 0.00 N ATOM 337 CA THR A 23 5.140 6.399 7.652 1.00 0.00 C ATOM 338 C THR A 23 5.176 7.666 6.793 1.00 0.00 C ATOM 339 O THR A 23 5.197 8.785 7.310 1.00 0.00 O ATOM 340 CB THR A 23 6.572 5.845 7.814 1.00 0.00 C ATOM 341 OG1 THR A 23 6.524 4.515 8.356 1.00 0.00 O ATOM 342 CG2 THR A 23 7.399 6.734 8.731 1.00 0.00 C ATOM 0 H THR A 23 4.704 4.885 6.282 1.00 0.00 H new ATOM 0 HA THR A 23 4.740 6.645 8.636 1.00 0.00 H new ATOM 0 HB THR A 23 7.041 5.825 6.830 1.00 0.00 H new ATOM 0 HG1 THR A 23 7.436 4.169 8.455 1.00 0.00 H new ATOM 0 HG21 THR A 23 8.403 6.322 8.829 1.00 0.00 H new ATOM 0 HG22 THR A 23 7.458 7.737 8.309 1.00 0.00 H new ATOM 0 HG23 THR A 23 6.929 6.781 9.713 1.00 0.00 H new ATOM 350 N PHE A 24 5.176 7.477 5.475 1.00 0.00 N ATOM 351 CA PHE A 24 5.160 8.591 4.534 1.00 0.00 C ATOM 352 C PHE A 24 4.382 8.209 3.279 1.00 0.00 C ATOM 353 O PHE A 24 4.648 7.176 2.666 1.00 0.00 O ATOM 354 CB PHE A 24 6.590 9.005 4.167 1.00 0.00 C ATOM 355 CG PHE A 24 6.659 10.071 3.110 1.00 0.00 C ATOM 356 CD1 PHE A 24 6.268 11.370 3.391 1.00 0.00 C ATOM 357 CD2 PHE A 24 7.113 9.773 1.833 1.00 0.00 C ATOM 358 CE1 PHE A 24 6.324 12.351 2.422 1.00 0.00 C ATOM 359 CE2 PHE A 24 7.173 10.752 0.859 1.00 0.00 C ATOM 360 CZ PHE A 24 6.777 12.043 1.154 1.00 0.00 C ATOM 0 H PHE A 24 5.187 6.557 5.034 1.00 0.00 H new ATOM 0 HA PHE A 24 4.666 9.439 5.009 1.00 0.00 H new ATOM 0 HB2 PHE A 24 7.097 9.362 5.064 1.00 0.00 H new ATOM 0 HB3 PHE A 24 7.135 8.127 3.821 1.00 0.00 H new ATOM 0 HD1 PHE A 24 5.915 11.618 4.381 1.00 0.00 H new ATOM 0 HD2 PHE A 24 7.423 8.765 1.598 1.00 0.00 H new ATOM 0 HE1 PHE A 24 6.014 13.359 2.655 1.00 0.00 H new ATOM 0 HE2 PHE A 24 7.529 10.508 -0.131 1.00 0.00 H new ATOM 0 HZ PHE A 24 6.822 12.809 0.394 1.00 0.00 H new ATOM 370 N VAL A 25 3.426 9.047 2.903 1.00 0.00 N ATOM 371 CA VAL A 25 2.580 8.779 1.748 1.00 0.00 C ATOM 372 C VAL A 25 2.633 9.941 0.764 1.00 0.00 C ATOM 373 O VAL A 25 2.599 11.107 1.164 1.00 0.00 O ATOM 374 CB VAL A 25 1.113 8.548 2.172 1.00 0.00 C ATOM 375 CG1 VAL A 25 0.217 8.331 0.958 1.00 0.00 C ATOM 376 CG2 VAL A 25 1.008 7.366 3.125 1.00 0.00 C ATOM 0 H VAL A 25 3.216 9.922 3.383 1.00 0.00 H new ATOM 0 HA VAL A 25 2.959 7.876 1.270 1.00 0.00 H new ATOM 0 HB VAL A 25 0.772 9.444 2.690 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.810 8.171 1.287 1.00 0.00 H new ATOM 0 HG12 VAL A 25 0.259 9.209 0.313 1.00 0.00 H new ATOM 0 HG13 VAL A 25 0.560 7.458 0.404 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.034 7.221 3.411 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.377 6.467 2.632 1.00 0.00 H new ATOM 0 HG23 VAL A 25 1.605 7.563 4.016 1.00 0.00 H new ATOM 386 N ASP A 26 2.732 9.623 -0.522 1.00 0.00 N ATOM 387 CA ASP A 26 2.693 10.627 -1.575 1.00 0.00 C ATOM 388 C ASP A 26 1.243 10.984 -1.907 1.00 0.00 C ATOM 389 O ASP A 26 0.351 10.144 -1.807 1.00 0.00 O ATOM 390 CB ASP A 26 3.415 10.102 -2.821 1.00 0.00 C ATOM 391 CG ASP A 26 3.377 11.075 -3.980 1.00 0.00 C ATOM 392 OD1 ASP A 26 4.267 11.943 -4.071 1.00 0.00 O ATOM 393 OD2 ASP A 26 2.460 10.971 -4.816 1.00 0.00 O ATOM 0 H ASP A 26 2.841 8.667 -0.861 1.00 0.00 H new ATOM 0 HA ASP A 26 3.200 11.528 -1.230 1.00 0.00 H new ATOM 0 HB2 ASP A 26 4.453 9.886 -2.569 1.00 0.00 H new ATOM 0 HB3 ASP A 26 2.959 9.161 -3.129 1.00 0.00 H new ATOM 398 N HIS A 27 1.035 12.242 -2.301 1.00 0.00 N ATOM 399 CA HIS A 27 -0.303 12.821 -2.497 1.00 0.00 C ATOM 400 C HIS A 27 -1.169 12.039 -3.487 1.00 0.00 C ATOM 401 O HIS A 27 -2.383 12.235 -3.529 1.00 0.00 O ATOM 402 CB HIS A 27 -0.182 14.264 -2.980 1.00 0.00 C ATOM 403 CG HIS A 27 0.481 15.187 -2.001 1.00 0.00 C ATOM 404 ND1 HIS A 27 1.766 15.645 -2.162 1.00 0.00 N ATOM 405 CD2 HIS A 27 0.025 15.747 -0.856 1.00 0.00 C ATOM 406 CE1 HIS A 27 2.077 16.444 -1.160 1.00 0.00 C ATOM 407 NE2 HIS A 27 1.038 16.524 -0.352 1.00 0.00 N ATOM 0 H HIS A 27 1.794 12.895 -2.495 1.00 0.00 H new ATOM 0 HA HIS A 27 -0.797 12.773 -1.527 1.00 0.00 H new ATOM 0 HB2 HIS A 27 0.381 14.277 -3.913 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -1.178 14.645 -3.204 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -0.953 15.608 -0.420 1.00 0.00 H new ATOM 0 HE1 HIS A 27 3.023 16.948 -1.024 1.00 0.00 H new ATOM 0 HE2 HIS A 27 0.994 17.073 0.506 1.00 0.00 H new ATOM 416 N ARG A 28 -0.556 11.165 -4.277 1.00 0.00 N ATOM 417 CA ARG A 28 -1.292 10.363 -5.257 1.00 0.00 C ATOM 418 C ARG A 28 -2.272 9.393 -4.585 1.00 0.00 C ATOM 419 O ARG A 28 -3.058 8.722 -5.260 1.00 0.00 O ATOM 420 CB ARG A 28 -0.313 9.602 -6.155 1.00 0.00 C ATOM 421 CG ARG A 28 0.377 10.489 -7.177 1.00 0.00 C ATOM 422 CD ARG A 28 1.497 9.761 -7.903 1.00 0.00 C ATOM 423 NE ARG A 28 2.684 9.616 -7.067 1.00 0.00 N ATOM 424 CZ ARG A 28 3.718 8.836 -7.373 1.00 0.00 C ATOM 425 NH1 ARG A 28 3.656 8.017 -8.413 1.00 0.00 N ATOM 426 NH2 ARG A 28 4.805 8.854 -6.614 1.00 0.00 N ATOM 0 H ARG A 28 0.449 10.991 -4.261 1.00 0.00 H new ATOM 0 HA ARG A 28 -1.882 11.046 -5.868 1.00 0.00 H new ATOM 0 HB2 ARG A 28 0.442 9.121 -5.533 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -0.849 8.809 -6.676 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -0.355 10.842 -7.903 1.00 0.00 H new ATOM 0 HG3 ARG A 28 0.781 11.370 -6.678 1.00 0.00 H new ATOM 0 HD2 ARG A 28 1.149 8.776 -8.213 1.00 0.00 H new ATOM 0 HD3 ARG A 28 1.756 10.307 -8.810 1.00 0.00 H new ATOM 0 HE ARG A 28 2.724 10.144 -6.195 1.00 0.00 H new ATOM 0 HH11 ARG A 28 2.812 7.982 -8.985 1.00 0.00 H new ATOM 0 HH12 ARG A 28 4.452 7.422 -8.642 1.00 0.00 H new ATOM 0 HH21 ARG A 28 4.847 9.465 -5.798 1.00 0.00 H new ATOM 0 HH22 ARG A 28 5.599 8.257 -6.846 1.00 0.00 H new ATOM 440 N CYS A 29 -2.226 9.332 -3.260 1.00 0.00 N ATOM 441 CA CYS A 29 -3.152 8.519 -2.481 1.00 0.00 C ATOM 442 C CYS A 29 -4.599 8.966 -2.689 1.00 0.00 C ATOM 443 O CYS A 29 -5.517 8.142 -2.729 1.00 0.00 O ATOM 444 CB CYS A 29 -2.774 8.603 -1.006 1.00 0.00 C ATOM 445 SG CYS A 29 -2.583 10.295 -0.413 1.00 0.00 S ATOM 0 H CYS A 29 -1.547 9.843 -2.696 1.00 0.00 H new ATOM 0 HA CYS A 29 -3.079 7.486 -2.820 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -3.539 8.102 -0.413 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -1.841 8.062 -0.846 1.00 0.00 H new ATOM 0 HG CYS A 29 -3.746 10.773 -0.083 1.00 0.00 H new ATOM 451 N VAL A 30 -4.789 10.269 -2.851 1.00 0.00 N ATOM 452 CA VAL A 30 -6.123 10.846 -2.982 1.00 0.00 C ATOM 453 C VAL A 30 -6.768 10.425 -4.294 1.00 0.00 C ATOM 454 O VAL A 30 -7.953 10.095 -4.344 1.00 0.00 O ATOM 455 CB VAL A 30 -6.067 12.381 -2.937 1.00 0.00 C ATOM 456 CG1 VAL A 30 -7.467 12.972 -2.862 1.00 0.00 C ATOM 457 CG2 VAL A 30 -5.208 12.860 -1.777 1.00 0.00 C ATOM 0 H VAL A 30 -4.032 10.951 -2.895 1.00 0.00 H new ATOM 0 HA VAL A 30 -6.716 10.478 -2.145 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.605 12.730 -3.861 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -7.402 14.060 -2.831 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -8.038 12.668 -3.739 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -7.966 12.613 -1.962 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.185 13.950 -1.767 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -5.629 12.498 -0.839 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.194 12.476 -1.892 1.00 0.00 H new ATOM 467 N ALA A 31 -5.982 10.429 -5.355 1.00 0.00 N ATOM 468 CA ALA A 31 -6.492 10.076 -6.667 1.00 0.00 C ATOM 469 C ALA A 31 -6.798 8.587 -6.735 1.00 0.00 C ATOM 470 O ALA A 31 -7.884 8.186 -7.156 1.00 0.00 O ATOM 471 CB ALA A 31 -5.495 10.464 -7.740 1.00 0.00 C ATOM 0 H ALA A 31 -4.992 10.672 -5.334 1.00 0.00 H new ATOM 0 HA ALA A 31 -7.418 10.625 -6.840 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -5.890 10.193 -8.719 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -5.321 11.539 -7.703 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.555 9.939 -7.570 1.00 0.00 H new ATOM 477 N THR A 32 -5.830 7.779 -6.329 1.00 0.00 N ATOM 478 CA THR A 32 -5.987 6.334 -6.310 1.00 0.00 C ATOM 479 C THR A 32 -7.136 5.874 -5.407 1.00 0.00 C ATOM 480 O THR A 32 -8.043 5.174 -5.861 1.00 0.00 O ATOM 481 CB THR A 32 -4.683 5.658 -5.847 1.00 0.00 C ATOM 482 OG1 THR A 32 -3.557 6.277 -6.489 1.00 0.00 O ATOM 483 CG2 THR A 32 -4.696 4.175 -6.176 1.00 0.00 C ATOM 0 H THR A 32 -4.919 8.105 -6.005 1.00 0.00 H new ATOM 0 HA THR A 32 -6.225 6.037 -7.331 1.00 0.00 H new ATOM 0 HB THR A 32 -4.603 5.777 -4.766 1.00 0.00 H new ATOM 0 HG1 THR A 32 -3.293 7.076 -5.987 1.00 0.00 H new ATOM 0 HG21 THR A 32 -3.765 3.719 -5.839 1.00 0.00 H new ATOM 0 HG22 THR A 32 -5.536 3.698 -5.672 1.00 0.00 H new ATOM 0 HG23 THR A 32 -4.796 4.042 -7.253 1.00 0.00 H new ATOM 491 N VAL A 33 -7.121 6.277 -4.135 1.00 0.00 N ATOM 492 CA VAL A 33 -8.056 5.707 -3.163 1.00 0.00 C ATOM 493 C VAL A 33 -8.659 6.753 -2.232 1.00 0.00 C ATOM 494 O VAL A 33 -9.039 6.436 -1.110 1.00 0.00 O ATOM 495 CB VAL A 33 -7.388 4.609 -2.310 1.00 0.00 C ATOM 496 CG1 VAL A 33 -7.158 3.362 -3.143 1.00 0.00 C ATOM 497 CG2 VAL A 33 -6.074 5.107 -1.723 1.00 0.00 C ATOM 0 H VAL A 33 -6.486 6.981 -3.759 1.00 0.00 H new ATOM 0 HA VAL A 33 -8.861 5.274 -3.758 1.00 0.00 H new ATOM 0 HB VAL A 33 -8.057 4.360 -1.486 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -6.686 2.596 -2.528 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -8.113 2.991 -3.515 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -6.509 3.602 -3.985 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.620 4.317 -1.125 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -5.397 5.385 -2.531 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -6.263 5.976 -1.092 1.00 0.00 H new ATOM 507 N GLY A 34 -8.738 7.992 -2.690 1.00 0.00 N ATOM 508 CA GLY A 34 -9.428 9.033 -1.933 1.00 0.00 C ATOM 509 C GLY A 34 -8.708 9.478 -0.666 1.00 0.00 C ATOM 510 O GLY A 34 -8.925 10.592 -0.185 1.00 0.00 O ATOM 0 H GLY A 34 -8.337 8.303 -3.575 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.570 9.900 -2.578 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -10.420 8.671 -1.663 1.00 0.00 H new ATOM 514 N TYR A 35 -7.854 8.623 -0.128 1.00 0.00 N ATOM 515 CA TYR A 35 -7.231 8.880 1.157 1.00 0.00 C ATOM 516 C TYR A 35 -6.172 9.951 1.036 1.00 0.00 C ATOM 517 O TYR A 35 -5.510 10.079 0.015 1.00 0.00 O ATOM 518 CB TYR A 35 -6.609 7.610 1.745 1.00 0.00 C ATOM 519 CG TYR A 35 -7.614 6.633 2.316 1.00 0.00 C ATOM 520 CD1 TYR A 35 -8.875 7.058 2.695 1.00 0.00 C ATOM 521 CD2 TYR A 35 -7.293 5.294 2.493 1.00 0.00 C ATOM 522 CE1 TYR A 35 -9.798 6.183 3.230 1.00 0.00 C ATOM 523 CE2 TYR A 35 -8.209 4.406 3.028 1.00 0.00 C ATOM 524 CZ TYR A 35 -9.464 4.857 3.397 1.00 0.00 C ATOM 525 OH TYR A 35 -10.392 3.985 3.930 1.00 0.00 O ATOM 0 H TYR A 35 -7.577 7.743 -0.563 1.00 0.00 H new ATOM 0 HA TYR A 35 -8.016 9.225 1.831 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -6.033 7.108 0.968 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -5.908 7.893 2.530 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -9.143 8.097 2.569 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -6.313 4.940 2.209 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -10.778 6.536 3.516 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -7.946 3.366 3.157 1.00 0.00 H new ATOM 0 HH TYR A 35 -9.949 3.383 4.564 1.00 0.00 H new ATOM 535 N GLN A 36 -6.028 10.722 2.086 1.00 0.00 N ATOM 536 CA GLN A 36 -4.996 11.734 2.140 1.00 0.00 C ATOM 537 C GLN A 36 -3.744 11.102 2.722 1.00 0.00 C ATOM 538 O GLN A 36 -3.847 10.078 3.392 1.00 0.00 O ATOM 539 CB GLN A 36 -5.432 12.901 3.034 1.00 0.00 C ATOM 540 CG GLN A 36 -6.861 13.377 2.819 1.00 0.00 C ATOM 541 CD GLN A 36 -7.029 14.205 1.566 1.00 0.00 C ATOM 542 OE1 GLN A 36 -6.844 15.420 1.590 1.00 0.00 O ATOM 543 NE2 GLN A 36 -7.409 13.570 0.473 1.00 0.00 N ATOM 0 H GLN A 36 -6.614 10.669 2.919 1.00 0.00 H new ATOM 0 HA GLN A 36 -4.809 12.117 1.137 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -5.317 12.603 4.076 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -4.756 13.740 2.866 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -7.522 12.512 2.766 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -7.175 13.966 3.681 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -7.552 12.560 0.493 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -7.559 14.089 -0.392 1.00 0.00 H new ATOM 552 N PRO A 37 -2.554 11.681 2.493 1.00 0.00 N ATOM 553 CA PRO A 37 -1.314 11.134 3.050 1.00 0.00 C ATOM 554 C PRO A 37 -1.452 10.918 4.553 1.00 0.00 C ATOM 555 O PRO A 37 -1.149 9.845 5.080 1.00 0.00 O ATOM 556 CB PRO A 37 -0.283 12.227 2.753 1.00 0.00 C ATOM 557 CG PRO A 37 -0.825 12.956 1.573 1.00 0.00 C ATOM 558 CD PRO A 37 -2.323 12.896 1.693 1.00 0.00 C ATOM 0 HA PRO A 37 -1.044 10.166 2.628 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -0.158 12.894 3.606 1.00 0.00 H new ATOM 0 HB3 PRO A 37 0.696 11.799 2.537 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -0.477 13.989 1.560 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -0.490 12.495 0.644 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -2.722 13.783 2.185 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -2.802 12.831 0.716 1.00 0.00 H new ATOM 566 N GLN A 38 -1.987 11.942 5.203 1.00 0.00 N ATOM 567 CA GLN A 38 -2.213 11.943 6.638 1.00 0.00 C ATOM 568 C GLN A 38 -3.076 10.755 7.071 1.00 0.00 C ATOM 569 O GLN A 38 -2.825 10.146 8.114 1.00 0.00 O ATOM 570 CB GLN A 38 -2.893 13.252 7.060 1.00 0.00 C ATOM 571 CG GLN A 38 -2.092 14.511 6.750 1.00 0.00 C ATOM 572 CD GLN A 38 -2.134 14.908 5.283 1.00 0.00 C ATOM 573 OE1 GLN A 38 -3.093 14.607 4.575 1.00 0.00 O ATOM 574 NE2 GLN A 38 -1.106 15.602 4.820 1.00 0.00 N ATOM 0 H GLN A 38 -2.279 12.804 4.742 1.00 0.00 H new ATOM 0 HA GLN A 38 -1.243 11.856 7.128 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -3.860 13.321 6.562 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -3.088 13.216 8.132 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -2.476 15.334 7.353 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -1.055 14.355 7.047 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -0.328 15.833 5.437 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -1.092 15.905 3.846 1.00 0.00 H new ATOM 583 N GLU A 39 -4.059 10.400 6.237 1.00 0.00 N ATOM 584 CA GLU A 39 -5.054 9.391 6.598 1.00 0.00 C ATOM 585 C GLU A 39 -4.401 8.037 6.815 1.00 0.00 C ATOM 586 O GLU A 39 -4.854 7.248 7.643 1.00 0.00 O ATOM 587 CB GLU A 39 -6.137 9.271 5.518 1.00 0.00 C ATOM 588 CG GLU A 39 -7.087 10.460 5.450 1.00 0.00 C ATOM 589 CD GLU A 39 -8.042 10.525 6.625 1.00 0.00 C ATOM 590 OE1 GLU A 39 -7.648 11.050 7.689 1.00 0.00 O ATOM 591 OE2 GLU A 39 -9.197 10.068 6.484 1.00 0.00 O ATOM 0 H GLU A 39 -4.185 10.799 5.307 1.00 0.00 H new ATOM 0 HA GLU A 39 -5.520 9.713 7.529 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -5.655 9.150 4.548 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -6.717 8.367 5.701 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -6.505 11.381 5.411 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -7.661 10.406 4.525 1.00 0.00 H new ATOM 598 N LEU A 40 -3.339 7.777 6.068 1.00 0.00 N ATOM 599 CA LEU A 40 -2.646 6.502 6.150 1.00 0.00 C ATOM 600 C LEU A 40 -1.612 6.501 7.269 1.00 0.00 C ATOM 601 O LEU A 40 -1.328 5.459 7.857 1.00 0.00 O ATOM 602 CB LEU A 40 -1.943 6.185 4.825 1.00 0.00 C ATOM 603 CG LEU A 40 -2.839 5.769 3.651 1.00 0.00 C ATOM 604 CD1 LEU A 40 -3.863 4.732 4.087 1.00 0.00 C ATOM 605 CD2 LEU A 40 -3.517 6.975 3.031 1.00 0.00 C ATOM 0 H LEU A 40 -2.938 8.433 5.398 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.397 5.741 6.362 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.373 7.064 4.523 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.224 5.385 5.004 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.205 5.314 2.891 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.485 4.455 3.236 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.348 3.848 4.463 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.491 5.149 4.874 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.146 6.652 2.201 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -4.132 7.472 3.781 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.761 7.669 2.664 1.00 0.00 H new ATOM 617 N LEU A 41 -1.046 7.672 7.553 1.00 0.00 N ATOM 618 CA LEU A 41 0.074 7.772 8.488 1.00 0.00 C ATOM 619 C LEU A 41 -0.318 7.302 9.885 1.00 0.00 C ATOM 620 O LEU A 41 -1.045 7.988 10.606 1.00 0.00 O ATOM 621 CB LEU A 41 0.609 9.203 8.552 1.00 0.00 C ATOM 622 CG LEU A 41 0.973 9.823 7.204 1.00 0.00 C ATOM 623 CD1 LEU A 41 1.534 11.220 7.399 1.00 0.00 C ATOM 624 CD2 LEU A 41 1.962 8.943 6.460 1.00 0.00 C ATOM 0 H LEU A 41 -1.342 8.562 7.152 1.00 0.00 H new ATOM 0 HA LEU A 41 0.862 7.117 8.115 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.140 9.832 9.033 1.00 0.00 H new ATOM 0 HB3 LEU A 41 1.493 9.215 9.190 1.00 0.00 H new ATOM 0 HG LEU A 41 0.068 9.898 6.601 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.789 11.648 6.430 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.788 11.847 7.888 1.00 0.00 H new ATOM 0 HD13 LEU A 41 2.429 11.169 8.020 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.209 9.402 5.503 1.00 0.00 H new ATOM 0 HD22 LEU A 41 2.869 8.833 7.054 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.519 7.962 6.289 1.00 0.00 H new ATOM 636 N GLY A 42 0.176 6.129 10.260 1.00 0.00 N ATOM 637 CA GLY A 42 -0.120 5.573 11.567 1.00 0.00 C ATOM 638 C GLY A 42 -1.063 4.391 11.484 1.00 0.00 C ATOM 639 O GLY A 42 -1.348 3.740 12.486 1.00 0.00 O ATOM 0 H GLY A 42 0.780 5.549 9.678 1.00 0.00 H new ATOM 0 HA2 GLY A 42 0.808 5.262 12.047 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -0.562 6.345 12.197 1.00 0.00 H new ATOM 643 N LYS A 43 -1.554 4.120 10.285 1.00 0.00 N ATOM 644 CA LYS A 43 -2.483 3.027 10.064 1.00 0.00 C ATOM 645 C LYS A 43 -1.801 1.875 9.344 1.00 0.00 C ATOM 646 O LYS A 43 -0.812 2.075 8.633 1.00 0.00 O ATOM 647 CB LYS A 43 -3.657 3.514 9.217 1.00 0.00 C ATOM 648 CG LYS A 43 -4.465 4.639 9.845 1.00 0.00 C ATOM 649 CD LYS A 43 -5.460 4.126 10.874 1.00 0.00 C ATOM 650 CE LYS A 43 -4.779 3.659 12.150 1.00 0.00 C ATOM 651 NZ LYS A 43 -5.723 2.952 13.050 1.00 0.00 N ATOM 0 H LYS A 43 -1.321 4.648 9.444 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.838 2.679 11.034 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.277 3.851 8.253 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.321 2.672 9.021 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.788 5.349 10.319 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -4.999 5.180 9.064 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -6.172 4.916 11.113 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -6.030 3.301 10.446 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -3.951 2.996 11.899 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.354 4.517 12.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -5.189 2.447 13.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -6.360 3.642 13.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -6.283 2.270 12.499 1.00 0.00 H new ATOM 665 N ASN A 44 -2.319 0.673 9.543 1.00 0.00 N ATOM 666 CA ASN A 44 -1.900 -0.476 8.783 1.00 0.00 C ATOM 667 C ASN A 44 -2.670 -0.509 7.475 1.00 0.00 C ATOM 668 O ASN A 44 -3.878 -0.275 7.452 1.00 0.00 O ATOM 669 CB ASN A 44 -2.209 -1.765 9.544 1.00 0.00 C ATOM 670 CG ASN A 44 -1.665 -1.797 10.963 1.00 0.00 C ATOM 671 OD1 ASN A 44 -2.308 -1.318 11.894 1.00 0.00 O ATOM 672 ND2 ASN A 44 -0.500 -2.402 11.148 1.00 0.00 N ATOM 0 H ASN A 44 -3.040 0.475 10.237 1.00 0.00 H new ATOM 0 HA ASN A 44 -0.827 -0.404 8.607 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -3.290 -1.903 9.578 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -1.797 -2.608 8.990 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -0.110 -2.481 12.087 1.00 0.00 H new ATOM 0 HD22 ASN A 44 0.006 -2.788 10.351 1.00 0.00 H new ATOM 679 N ILE A 45 -1.974 -0.808 6.388 1.00 0.00 N ATOM 680 CA ILE A 45 -2.621 -1.025 5.098 1.00 0.00 C ATOM 681 C ILE A 45 -3.625 -2.178 5.198 1.00 0.00 C ATOM 682 O ILE A 45 -4.549 -2.287 4.397 1.00 0.00 O ATOM 683 CB ILE A 45 -1.575 -1.334 3.995 1.00 0.00 C ATOM 684 CG1 ILE A 45 -2.251 -1.492 2.628 1.00 0.00 C ATOM 685 CG2 ILE A 45 -0.775 -2.580 4.351 1.00 0.00 C ATOM 686 CD1 ILE A 45 -1.280 -1.728 1.489 1.00 0.00 C ATOM 0 H ILE A 45 -0.959 -0.907 6.372 1.00 0.00 H new ATOM 0 HA ILE A 45 -3.148 -0.110 4.827 1.00 0.00 H new ATOM 0 HB ILE A 45 -0.886 -0.491 3.933 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -2.952 -2.325 2.674 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -2.834 -0.596 2.416 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -0.046 -2.781 3.566 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -0.256 -2.421 5.296 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -1.450 -3.431 4.446 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -1.833 -1.830 0.555 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -0.594 -0.884 1.415 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -0.714 -2.640 1.677 1.00 0.00 H new ATOM 698 N VAL A 46 -3.448 -3.020 6.212 1.00 0.00 N ATOM 699 CA VAL A 46 -4.323 -4.155 6.429 1.00 0.00 C ATOM 700 C VAL A 46 -5.659 -3.711 7.043 1.00 0.00 C ATOM 701 O VAL A 46 -6.635 -4.459 7.035 1.00 0.00 O ATOM 702 CB VAL A 46 -3.637 -5.209 7.330 1.00 0.00 C ATOM 703 CG1 VAL A 46 -3.573 -4.747 8.774 1.00 0.00 C ATOM 704 CG2 VAL A 46 -4.334 -6.555 7.221 1.00 0.00 C ATOM 0 H VAL A 46 -2.699 -2.931 6.898 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.529 -4.610 5.460 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.613 -5.328 6.976 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -3.085 -5.511 9.379 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.005 -3.819 8.834 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.583 -4.579 9.147 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -3.832 -7.278 7.864 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -5.374 -6.453 7.532 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -4.297 -6.901 6.188 1.00 0.00 H new ATOM 714 N GLU A 47 -5.702 -2.485 7.567 1.00 0.00 N ATOM 715 CA GLU A 47 -6.944 -1.928 8.101 1.00 0.00 C ATOM 716 C GLU A 47 -7.869 -1.541 6.962 1.00 0.00 C ATOM 717 O GLU A 47 -9.089 -1.662 7.060 1.00 0.00 O ATOM 718 CB GLU A 47 -6.674 -0.694 8.965 1.00 0.00 C ATOM 719 CG GLU A 47 -5.878 -0.982 10.222 1.00 0.00 C ATOM 720 CD GLU A 47 -5.662 0.250 11.076 1.00 0.00 C ATOM 721 OE1 GLU A 47 -6.629 0.726 11.707 1.00 0.00 O ATOM 722 OE2 GLU A 47 -4.518 0.741 11.136 1.00 0.00 O ATOM 0 H GLU A 47 -4.896 -1.863 7.633 1.00 0.00 H new ATOM 0 HA GLU A 47 -7.412 -2.693 8.721 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -6.137 0.044 8.369 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -7.627 -0.245 9.246 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -6.397 -1.739 10.810 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -4.910 -1.401 9.946 1.00 0.00 H new ATOM 729 N PHE A 48 -7.270 -1.077 5.876 1.00 0.00 N ATOM 730 CA PHE A 48 -8.020 -0.635 4.712 1.00 0.00 C ATOM 731 C PHE A 48 -8.000 -1.707 3.636 1.00 0.00 C ATOM 732 O PHE A 48 -8.374 -1.464 2.489 1.00 0.00 O ATOM 733 CB PHE A 48 -7.438 0.671 4.175 1.00 0.00 C ATOM 734 CG PHE A 48 -7.300 1.733 5.230 1.00 0.00 C ATOM 735 CD1 PHE A 48 -8.423 2.302 5.808 1.00 0.00 C ATOM 736 CD2 PHE A 48 -6.050 2.157 5.646 1.00 0.00 C ATOM 737 CE1 PHE A 48 -8.302 3.274 6.781 1.00 0.00 C ATOM 738 CE2 PHE A 48 -5.924 3.130 6.618 1.00 0.00 C ATOM 739 CZ PHE A 48 -7.052 3.687 7.185 1.00 0.00 C ATOM 0 H PHE A 48 -6.258 -0.997 5.777 1.00 0.00 H new ATOM 0 HA PHE A 48 -9.055 -0.459 5.007 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -6.460 0.473 3.737 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -8.076 1.044 3.374 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -9.405 1.981 5.494 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -5.164 1.723 5.206 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -9.185 3.709 7.224 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -4.944 3.455 6.934 1.00 0.00 H new ATOM 0 HZ PHE A 48 -6.954 4.447 7.946 1.00 0.00 H new ATOM 749 N CYS A 49 -7.548 -2.892 4.012 1.00 0.00 N ATOM 750 CA CYS A 49 -7.524 -4.017 3.094 1.00 0.00 C ATOM 751 C CYS A 49 -8.834 -4.790 3.167 1.00 0.00 C ATOM 752 O CYS A 49 -9.402 -4.963 4.247 1.00 0.00 O ATOM 753 CB CYS A 49 -6.355 -4.945 3.418 1.00 0.00 C ATOM 754 SG CYS A 49 -6.238 -6.380 2.325 1.00 0.00 S ATOM 0 H CYS A 49 -7.193 -3.099 4.946 1.00 0.00 H new ATOM 0 HA CYS A 49 -7.398 -3.631 2.083 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -5.426 -4.378 3.359 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -6.452 -5.291 4.447 1.00 0.00 H new ATOM 0 HG CYS A 49 -5.817 -6.001 1.155 1.00 0.00 H new ATOM 760 N HIS A 50 -9.323 -5.207 2.002 1.00 0.00 N ATOM 761 CA HIS A 50 -10.505 -6.061 1.902 1.00 0.00 C ATOM 762 C HIS A 50 -10.387 -7.249 2.855 1.00 0.00 C ATOM 763 O HIS A 50 -9.422 -8.001 2.788 1.00 0.00 O ATOM 764 CB HIS A 50 -10.660 -6.547 0.457 1.00 0.00 C ATOM 765 CG HIS A 50 -11.944 -7.264 0.173 1.00 0.00 C ATOM 766 ND1 HIS A 50 -11.987 -8.542 -0.332 1.00 0.00 N ATOM 767 CD2 HIS A 50 -13.231 -6.863 0.283 1.00 0.00 C ATOM 768 CE1 HIS A 50 -13.240 -8.901 -0.518 1.00 0.00 C ATOM 769 NE2 HIS A 50 -14.016 -7.898 -0.153 1.00 0.00 N ATOM 0 H HIS A 50 -8.912 -4.963 1.101 1.00 0.00 H new ATOM 0 HA HIS A 50 -11.388 -5.487 2.184 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -10.583 -5.689 -0.211 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -9.829 -7.211 0.220 1.00 0.00 H new ATOM 0 HD1 HIS A 50 -11.173 -9.123 -0.532 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -13.575 -5.906 0.646 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -13.575 -9.853 -0.903 1.00 0.00 H new ATOM 778 N PRO A 51 -11.378 -7.424 3.752 1.00 0.00 N ATOM 779 CA PRO A 51 -11.344 -8.434 4.830 1.00 0.00 C ATOM 780 C PRO A 51 -11.046 -9.863 4.359 1.00 0.00 C ATOM 781 O PRO A 51 -10.643 -10.707 5.156 1.00 0.00 O ATOM 782 CB PRO A 51 -12.747 -8.363 5.453 1.00 0.00 C ATOM 783 CG PRO A 51 -13.569 -7.533 4.526 1.00 0.00 C ATOM 784 CD PRO A 51 -12.613 -6.628 3.808 1.00 0.00 C ATOM 0 HA PRO A 51 -10.531 -8.213 5.522 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -13.174 -9.359 5.567 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -12.710 -7.917 6.447 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -14.113 -8.161 3.821 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -14.311 -6.955 5.077 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -12.972 -6.371 2.812 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -12.465 -5.691 4.345 1.00 0.00 H new ATOM 792 N GLU A 52 -11.230 -10.136 3.077 1.00 0.00 N ATOM 793 CA GLU A 52 -10.957 -11.465 2.539 1.00 0.00 C ATOM 794 C GLU A 52 -9.549 -11.553 1.964 1.00 0.00 C ATOM 795 O GLU A 52 -9.089 -12.630 1.590 1.00 0.00 O ATOM 796 CB GLU A 52 -11.976 -11.821 1.464 1.00 0.00 C ATOM 797 CG GLU A 52 -13.379 -12.025 2.000 1.00 0.00 C ATOM 798 CD GLU A 52 -14.392 -12.250 0.900 1.00 0.00 C ATOM 799 OE1 GLU A 52 -14.383 -13.337 0.290 1.00 0.00 O ATOM 800 OE2 GLU A 52 -15.212 -11.343 0.649 1.00 0.00 O ATOM 0 H GLU A 52 -11.566 -9.461 2.390 1.00 0.00 H new ATOM 0 HA GLU A 52 -11.036 -12.177 3.361 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -11.994 -11.029 0.716 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -11.654 -12.731 0.957 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -13.385 -12.880 2.676 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -13.671 -11.153 2.586 1.00 0.00 H new ATOM 807 N ASP A 53 -8.854 -10.424 1.913 1.00 0.00 N ATOM 808 CA ASP A 53 -7.538 -10.365 1.290 1.00 0.00 C ATOM 809 C ASP A 53 -6.513 -9.824 2.273 1.00 0.00 C ATOM 810 O ASP A 53 -5.343 -9.638 1.929 1.00 0.00 O ATOM 811 CB ASP A 53 -7.563 -9.472 0.044 1.00 0.00 C ATOM 812 CG ASP A 53 -8.566 -9.930 -0.992 1.00 0.00 C ATOM 813 OD1 ASP A 53 -8.235 -10.819 -1.797 1.00 0.00 O ATOM 814 OD2 ASP A 53 -9.695 -9.395 -1.001 1.00 0.00 O ATOM 0 H ASP A 53 -9.180 -9.536 2.296 1.00 0.00 H new ATOM 0 HA ASP A 53 -7.262 -11.377 0.995 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -7.797 -8.450 0.341 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.569 -9.454 -0.403 1.00 0.00 H new ATOM 819 N GLN A 54 -6.952 -9.580 3.506 1.00 0.00 N ATOM 820 CA GLN A 54 -6.082 -9.003 4.524 1.00 0.00 C ATOM 821 C GLN A 54 -4.925 -9.948 4.841 1.00 0.00 C ATOM 822 O GLN A 54 -3.783 -9.520 5.007 1.00 0.00 O ATOM 823 CB GLN A 54 -6.876 -8.672 5.796 1.00 0.00 C ATOM 824 CG GLN A 54 -8.029 -7.701 5.564 1.00 0.00 C ATOM 825 CD GLN A 54 -8.665 -7.215 6.836 1.00 0.00 C ATOM 826 OE1 GLN A 54 -8.661 -7.902 7.858 1.00 0.00 O ATOM 827 NE2 GLN A 54 -9.234 -6.025 6.773 1.00 0.00 N ATOM 0 H GLN A 54 -7.902 -9.773 3.822 1.00 0.00 H new ATOM 0 HA GLN A 54 -5.668 -8.074 4.131 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -7.270 -9.596 6.218 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -6.198 -8.247 6.536 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -7.664 -6.844 4.998 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -8.787 -8.188 4.951 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -9.211 -5.494 5.902 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -9.697 -5.637 7.595 1.00 0.00 H new ATOM 836 N GLN A 55 -5.227 -11.240 4.893 1.00 0.00 N ATOM 837 CA GLN A 55 -4.207 -12.260 5.117 1.00 0.00 C ATOM 838 C GLN A 55 -3.334 -12.423 3.876 1.00 0.00 C ATOM 839 O GLN A 55 -2.142 -12.709 3.977 1.00 0.00 O ATOM 840 CB GLN A 55 -4.870 -13.588 5.482 1.00 0.00 C ATOM 841 CG GLN A 55 -3.901 -14.749 5.672 1.00 0.00 C ATOM 842 CD GLN A 55 -2.858 -14.496 6.748 1.00 0.00 C ATOM 843 OE1 GLN A 55 -3.092 -13.762 7.707 1.00 0.00 O ATOM 844 NE2 GLN A 55 -1.701 -15.118 6.595 1.00 0.00 N ATOM 0 H GLN A 55 -6.172 -11.608 4.783 1.00 0.00 H new ATOM 0 HA GLN A 55 -3.570 -11.945 5.944 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -5.441 -13.454 6.401 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -5.582 -13.851 4.700 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -4.466 -15.646 5.928 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -3.396 -14.949 4.727 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -1.548 -15.718 5.785 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -0.962 -14.998 7.287 1.00 0.00 H new ATOM 853 N LEU A 56 -3.940 -12.228 2.709 1.00 0.00 N ATOM 854 CA LEU A 56 -3.223 -12.308 1.440 1.00 0.00 C ATOM 855 C LEU A 56 -2.093 -11.288 1.407 1.00 0.00 C ATOM 856 O LEU A 56 -0.969 -11.598 0.997 1.00 0.00 O ATOM 857 CB LEU A 56 -4.190 -12.074 0.276 1.00 0.00 C ATOM 858 CG LEU A 56 -3.562 -12.086 -1.120 1.00 0.00 C ATOM 859 CD1 LEU A 56 -2.925 -13.432 -1.420 1.00 0.00 C ATOM 860 CD2 LEU A 56 -4.609 -11.749 -2.170 1.00 0.00 C ATOM 0 H LEU A 56 -4.932 -12.012 2.616 1.00 0.00 H new ATOM 0 HA LEU A 56 -2.791 -13.304 1.341 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.965 -12.839 0.312 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.683 -11.113 0.425 1.00 0.00 H new ATOM 0 HG LEU A 56 -2.778 -11.329 -1.148 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -2.487 -13.413 -2.418 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.146 -13.638 -0.685 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -3.684 -14.213 -1.372 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -4.150 -11.761 -3.159 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -5.411 -12.486 -2.134 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -5.018 -10.758 -1.972 1.00 0.00 H new ATOM 872 N LEU A 57 -2.394 -10.073 1.852 1.00 0.00 N ATOM 873 CA LEU A 57 -1.379 -9.037 1.977 1.00 0.00 C ATOM 874 C LEU A 57 -0.307 -9.458 2.965 1.00 0.00 C ATOM 875 O LEU A 57 0.879 -9.343 2.678 1.00 0.00 O ATOM 876 CB LEU A 57 -1.981 -7.704 2.423 1.00 0.00 C ATOM 877 CG LEU A 57 -2.605 -6.856 1.316 1.00 0.00 C ATOM 878 CD1 LEU A 57 -3.040 -5.511 1.871 1.00 0.00 C ATOM 879 CD2 LEU A 57 -1.622 -6.656 0.178 1.00 0.00 C ATOM 0 H LEU A 57 -3.331 -9.783 2.131 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.936 -8.902 0.990 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.744 -7.904 3.176 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.200 -7.118 2.908 1.00 0.00 H new ATOM 0 HG LEU A 57 -3.479 -7.381 0.930 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.483 -4.915 1.074 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.775 -5.664 2.661 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.174 -4.988 2.277 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.085 -6.050 -0.600 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.732 -6.150 0.551 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.342 -7.625 -0.235 1.00 0.00 H new ATOM 891 N ARG A 58 -0.733 -9.969 4.116 1.00 0.00 N ATOM 892 CA ARG A 58 0.197 -10.368 5.166 1.00 0.00 C ATOM 893 C ARG A 58 1.193 -11.394 4.635 1.00 0.00 C ATOM 894 O ARG A 58 2.404 -11.196 4.715 1.00 0.00 O ATOM 895 CB ARG A 58 -0.564 -10.958 6.355 1.00 0.00 C ATOM 896 CG ARG A 58 0.324 -11.283 7.546 1.00 0.00 C ATOM 897 CD ARG A 58 -0.472 -11.903 8.681 1.00 0.00 C ATOM 898 NE ARG A 58 0.366 -12.177 9.846 1.00 0.00 N ATOM 899 CZ ARG A 58 0.071 -13.086 10.776 1.00 0.00 C ATOM 900 NH1 ARG A 58 -1.032 -13.819 10.662 1.00 0.00 N ATOM 901 NH2 ARG A 58 0.884 -13.271 11.815 1.00 0.00 N ATOM 0 H ARG A 58 -1.716 -10.116 4.345 1.00 0.00 H new ATOM 0 HA ARG A 58 0.741 -9.482 5.494 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -1.334 -10.253 6.668 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -1.074 -11.866 6.034 1.00 0.00 H new ATOM 0 HG2 ARG A 58 1.113 -11.969 7.237 1.00 0.00 H new ATOM 0 HG3 ARG A 58 0.812 -10.373 7.897 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -1.282 -11.231 8.966 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -0.932 -12.830 8.338 1.00 0.00 H new ATOM 0 HE ARG A 58 1.227 -11.642 9.954 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -1.652 -13.686 9.863 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -1.258 -14.514 11.373 1.00 0.00 H new ATOM 0 HH21 ARG A 58 1.736 -12.716 11.901 1.00 0.00 H new ATOM 0 HH22 ARG A 58 0.655 -13.967 12.524 1.00 0.00 H new ATOM 915 N ASP A 59 0.665 -12.467 4.062 1.00 0.00 N ATOM 916 CA ASP A 59 1.480 -13.564 3.538 1.00 0.00 C ATOM 917 C ASP A 59 2.504 -13.059 2.528 1.00 0.00 C ATOM 918 O ASP A 59 3.680 -13.426 2.575 1.00 0.00 O ATOM 919 CB ASP A 59 0.576 -14.603 2.875 1.00 0.00 C ATOM 920 CG ASP A 59 1.325 -15.854 2.454 1.00 0.00 C ATOM 921 OD1 ASP A 59 1.904 -16.530 3.334 1.00 0.00 O ATOM 922 OD2 ASP A 59 1.318 -16.186 1.247 1.00 0.00 O ATOM 0 H ASP A 59 -0.339 -12.605 3.946 1.00 0.00 H new ATOM 0 HA ASP A 59 2.018 -14.017 4.371 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -0.221 -14.878 3.566 1.00 0.00 H new ATOM 0 HB3 ASP A 59 0.100 -14.159 2.001 1.00 0.00 H new ATOM 927 N SER A 60 2.057 -12.200 1.632 1.00 0.00 N ATOM 928 CA SER A 60 2.905 -11.698 0.561 1.00 0.00 C ATOM 929 C SER A 60 3.929 -10.694 1.088 1.00 0.00 C ATOM 930 O SER A 60 5.068 -10.655 0.621 1.00 0.00 O ATOM 931 CB SER A 60 2.040 -11.072 -0.529 1.00 0.00 C ATOM 932 OG SER A 60 1.189 -12.039 -1.124 1.00 0.00 O ATOM 0 H SER A 60 1.106 -11.832 1.623 1.00 0.00 H new ATOM 0 HA SER A 60 3.460 -12.535 0.137 1.00 0.00 H new ATOM 0 HB2 SER A 60 1.440 -10.267 -0.104 1.00 0.00 H new ATOM 0 HB3 SER A 60 2.678 -10.625 -1.292 1.00 0.00 H new ATOM 0 HG SER A 60 0.347 -12.085 -0.624 1.00 0.00 H new ATOM 938 N PHE A 61 3.535 -9.900 2.077 1.00 0.00 N ATOM 939 CA PHE A 61 4.444 -8.939 2.689 1.00 0.00 C ATOM 940 C PHE A 61 5.552 -9.675 3.425 1.00 0.00 C ATOM 941 O PHE A 61 6.699 -9.237 3.454 1.00 0.00 O ATOM 942 CB PHE A 61 3.694 -8.011 3.652 1.00 0.00 C ATOM 943 CG PHE A 61 2.887 -6.930 2.976 1.00 0.00 C ATOM 944 CD1 PHE A 61 2.579 -6.999 1.624 1.00 0.00 C ATOM 945 CD2 PHE A 61 2.438 -5.838 3.703 1.00 0.00 C ATOM 946 CE1 PHE A 61 1.841 -6.003 1.014 1.00 0.00 C ATOM 947 CE2 PHE A 61 1.701 -4.841 3.096 1.00 0.00 C ATOM 948 CZ PHE A 61 1.402 -4.924 1.752 1.00 0.00 C ATOM 0 H PHE A 61 2.594 -9.903 2.471 1.00 0.00 H new ATOM 0 HA PHE A 61 4.881 -8.326 1.901 1.00 0.00 H new ATOM 0 HB2 PHE A 61 3.027 -8.612 4.271 1.00 0.00 H new ATOM 0 HB3 PHE A 61 4.415 -7.543 4.322 1.00 0.00 H new ATOM 0 HD1 PHE A 61 2.921 -7.842 1.042 1.00 0.00 H new ATOM 0 HD2 PHE A 61 2.667 -5.767 4.756 1.00 0.00 H new ATOM 0 HE1 PHE A 61 1.608 -6.069 -0.039 1.00 0.00 H new ATOM 0 HE2 PHE A 61 1.358 -3.995 3.674 1.00 0.00 H new ATOM 0 HZ PHE A 61 0.824 -4.144 1.278 1.00 0.00 H new ATOM 958 N GLN A 62 5.200 -10.812 3.997 1.00 0.00 N ATOM 959 CA GLN A 62 6.170 -11.659 4.666 1.00 0.00 C ATOM 960 C GLN A 62 7.162 -12.203 3.652 1.00 0.00 C ATOM 961 O GLN A 62 8.352 -12.328 3.932 1.00 0.00 O ATOM 962 CB GLN A 62 5.461 -12.810 5.384 1.00 0.00 C ATOM 963 CG GLN A 62 4.516 -12.350 6.483 1.00 0.00 C ATOM 964 CD GLN A 62 5.238 -11.670 7.634 1.00 0.00 C ATOM 965 OE1 GLN A 62 4.705 -10.755 8.263 1.00 0.00 O ATOM 966 NE2 GLN A 62 6.446 -12.126 7.934 1.00 0.00 N ATOM 0 H GLN A 62 4.245 -11.171 4.011 1.00 0.00 H new ATOM 0 HA GLN A 62 6.708 -11.068 5.407 1.00 0.00 H new ATOM 0 HB2 GLN A 62 4.900 -13.392 4.653 1.00 0.00 H new ATOM 0 HB3 GLN A 62 6.210 -13.475 5.814 1.00 0.00 H new ATOM 0 HG2 GLN A 62 3.784 -11.661 6.062 1.00 0.00 H new ATOM 0 HG3 GLN A 62 3.963 -13.209 6.864 1.00 0.00 H new ATOM 0 HE21 GLN A 62 6.854 -12.886 7.389 1.00 0.00 H new ATOM 0 HE22 GLN A 62 6.967 -11.717 8.710 1.00 0.00 H new ATOM 975 N GLN A 63 6.664 -12.494 2.462 1.00 0.00 N ATOM 976 CA GLN A 63 7.480 -13.063 1.403 1.00 0.00 C ATOM 977 C GLN A 63 8.426 -12.044 0.781 1.00 0.00 C ATOM 978 O GLN A 63 9.514 -12.406 0.356 1.00 0.00 O ATOM 979 CB GLN A 63 6.590 -13.672 0.336 1.00 0.00 C ATOM 980 CG GLN A 63 5.964 -14.982 0.759 1.00 0.00 C ATOM 981 CD GLN A 63 4.840 -15.391 -0.149 1.00 0.00 C ATOM 982 OE1 GLN A 63 5.040 -16.057 -1.163 1.00 0.00 O ATOM 983 NE2 GLN A 63 3.644 -14.999 0.221 1.00 0.00 N ATOM 0 H GLN A 63 5.689 -12.344 2.204 1.00 0.00 H new ATOM 0 HA GLN A 63 8.100 -13.838 1.853 1.00 0.00 H new ATOM 0 HB2 GLN A 63 5.800 -12.964 0.083 1.00 0.00 H new ATOM 0 HB3 GLN A 63 7.176 -13.832 -0.569 1.00 0.00 H new ATOM 0 HG2 GLN A 63 6.726 -15.762 0.766 1.00 0.00 H new ATOM 0 HG3 GLN A 63 5.591 -14.892 1.779 1.00 0.00 H new ATOM 0 HE21 GLN A 63 3.528 -14.448 1.071 1.00 0.00 H new ATOM 0 HE22 GLN A 63 2.830 -15.246 -0.342 1.00 0.00 H new ATOM 992 N VAL A 64 8.031 -10.777 0.709 1.00 0.00 N ATOM 993 CA VAL A 64 8.951 -9.763 0.204 1.00 0.00 C ATOM 994 C VAL A 64 10.077 -9.550 1.210 1.00 0.00 C ATOM 995 O VAL A 64 11.203 -9.230 0.837 1.00 0.00 O ATOM 996 CB VAL A 64 8.273 -8.414 -0.142 1.00 0.00 C ATOM 997 CG1 VAL A 64 7.752 -7.697 1.093 1.00 0.00 C ATOM 998 CG2 VAL A 64 9.244 -7.523 -0.903 1.00 0.00 C ATOM 0 H VAL A 64 7.110 -10.434 0.984 1.00 0.00 H new ATOM 0 HA VAL A 64 9.348 -10.143 -0.737 1.00 0.00 H new ATOM 0 HB VAL A 64 7.411 -8.633 -0.772 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.286 -6.757 0.798 1.00 0.00 H new ATOM 0 HG12 VAL A 64 7.016 -8.325 1.595 1.00 0.00 H new ATOM 0 HG13 VAL A 64 8.580 -7.494 1.772 1.00 0.00 H new ATOM 0 HG21 VAL A 64 8.759 -6.577 -1.142 1.00 0.00 H new ATOM 0 HG22 VAL A 64 10.124 -7.334 -0.287 1.00 0.00 H new ATOM 0 HG23 VAL A 64 9.546 -8.019 -1.825 1.00 0.00 H new ATOM 1008 N VAL A 65 9.772 -9.770 2.485 1.00 0.00 N ATOM 1009 CA VAL A 65 10.796 -9.741 3.523 1.00 0.00 C ATOM 1010 C VAL A 65 11.645 -11.013 3.449 1.00 0.00 C ATOM 1011 O VAL A 65 12.773 -11.058 3.933 1.00 0.00 O ATOM 1012 CB VAL A 65 10.180 -9.600 4.936 1.00 0.00 C ATOM 1013 CG1 VAL A 65 11.261 -9.521 6.003 1.00 0.00 C ATOM 1014 CG2 VAL A 65 9.284 -8.374 5.004 1.00 0.00 C ATOM 0 H VAL A 65 8.830 -9.969 2.823 1.00 0.00 H new ATOM 0 HA VAL A 65 11.424 -8.867 3.347 1.00 0.00 H new ATOM 0 HB VAL A 65 9.579 -10.489 5.129 1.00 0.00 H new ATOM 0 HG11 VAL A 65 10.797 -9.422 6.984 1.00 0.00 H new ATOM 0 HG12 VAL A 65 11.865 -10.428 5.977 1.00 0.00 H new ATOM 0 HG13 VAL A 65 11.897 -8.656 5.814 1.00 0.00 H new ATOM 0 HG21 VAL A 65 8.859 -8.289 6.004 1.00 0.00 H new ATOM 0 HG22 VAL A 65 9.870 -7.482 4.782 1.00 0.00 H new ATOM 0 HG23 VAL A 65 8.480 -8.470 4.275 1.00 0.00 H new ATOM 1024 N LYS A 66 11.088 -12.050 2.839 1.00 0.00 N ATOM 1025 CA LYS A 66 11.827 -13.282 2.595 1.00 0.00 C ATOM 1026 C LYS A 66 12.738 -13.129 1.375 1.00 0.00 C ATOM 1027 O LYS A 66 13.909 -13.516 1.408 1.00 0.00 O ATOM 1028 CB LYS A 66 10.863 -14.457 2.384 1.00 0.00 C ATOM 1029 CG LYS A 66 10.074 -14.847 3.626 1.00 0.00 C ATOM 1030 CD LYS A 66 9.197 -16.064 3.368 1.00 0.00 C ATOM 1031 CE LYS A 66 10.037 -17.279 2.996 1.00 0.00 C ATOM 1032 NZ LYS A 66 9.206 -18.488 2.774 1.00 0.00 N ATOM 0 H LYS A 66 10.125 -12.063 2.503 1.00 0.00 H new ATOM 0 HA LYS A 66 12.443 -13.487 3.470 1.00 0.00 H new ATOM 0 HB2 LYS A 66 10.163 -14.200 1.589 1.00 0.00 H new ATOM 0 HB3 LYS A 66 11.431 -15.322 2.042 1.00 0.00 H new ATOM 0 HG2 LYS A 66 10.762 -15.060 4.444 1.00 0.00 H new ATOM 0 HG3 LYS A 66 9.452 -14.009 3.942 1.00 0.00 H new ATOM 0 HD2 LYS A 66 8.607 -16.285 4.257 1.00 0.00 H new ATOM 0 HD3 LYS A 66 8.494 -15.845 2.565 1.00 0.00 H new ATOM 0 HE2 LYS A 66 10.608 -17.062 2.093 1.00 0.00 H new ATOM 0 HE3 LYS A 66 10.758 -17.477 3.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 9.819 -19.290 2.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 8.681 -18.713 3.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 8.535 -18.310 2.000 1.00 0.00 H new ATOM 1046 N LEU A 67 12.189 -12.560 0.308 1.00 0.00 N ATOM 1047 CA LEU A 67 12.928 -12.340 -0.931 1.00 0.00 C ATOM 1048 C LEU A 67 14.012 -11.283 -0.741 1.00 0.00 C ATOM 1049 O LEU A 67 15.174 -11.515 -1.080 1.00 0.00 O ATOM 1050 CB LEU A 67 11.968 -11.913 -2.047 1.00 0.00 C ATOM 1051 CG LEU A 67 10.965 -12.983 -2.479 1.00 0.00 C ATOM 1052 CD1 LEU A 67 10.096 -12.465 -3.612 1.00 0.00 C ATOM 1053 CD2 LEU A 67 11.686 -14.256 -2.896 1.00 0.00 C ATOM 0 H LEU A 67 11.221 -12.239 0.277 1.00 0.00 H new ATOM 0 HA LEU A 67 13.410 -13.277 -1.211 1.00 0.00 H new ATOM 0 HB2 LEU A 67 11.417 -11.033 -1.715 1.00 0.00 H new ATOM 0 HB3 LEU A 67 12.554 -11.614 -2.916 1.00 0.00 H new ATOM 0 HG LEU A 67 10.323 -13.218 -1.630 1.00 0.00 H new ATOM 0 HD11 LEU A 67 9.387 -13.238 -3.909 1.00 0.00 H new ATOM 0 HD12 LEU A 67 9.552 -11.582 -3.278 1.00 0.00 H new ATOM 0 HD13 LEU A 67 10.725 -12.204 -4.463 1.00 0.00 H new ATOM 0 HD21 LEU A 67 10.955 -15.005 -3.200 1.00 0.00 H new ATOM 0 HD22 LEU A 67 12.353 -14.040 -3.731 1.00 0.00 H new ATOM 0 HD23 LEU A 67 12.268 -14.636 -2.056 1.00 0.00 H new ATOM 1065 N LYS A 68 13.613 -10.142 -0.188 1.00 0.00 N ATOM 1066 CA LYS A 68 14.524 -9.029 0.080 1.00 0.00 C ATOM 1067 C LYS A 68 15.152 -8.476 -1.194 1.00 0.00 C ATOM 1068 O LYS A 68 16.127 -9.020 -1.725 1.00 0.00 O ATOM 1069 CB LYS A 68 15.606 -9.437 1.079 1.00 0.00 C ATOM 1070 CG LYS A 68 15.090 -9.534 2.498 1.00 0.00 C ATOM 1071 CD LYS A 68 16.166 -9.990 3.463 1.00 0.00 C ATOM 1072 CE LYS A 68 15.646 -9.989 4.886 1.00 0.00 C ATOM 1073 NZ LYS A 68 16.634 -10.554 5.844 1.00 0.00 N ATOM 0 H LYS A 68 12.648 -9.960 0.088 1.00 0.00 H new ATOM 0 HA LYS A 68 13.926 -8.230 0.519 1.00 0.00 H new ATOM 0 HB2 LYS A 68 16.023 -10.400 0.783 1.00 0.00 H new ATOM 0 HB3 LYS A 68 16.419 -8.712 1.042 1.00 0.00 H new ATOM 0 HG2 LYS A 68 14.709 -8.562 2.812 1.00 0.00 H new ATOM 0 HG3 LYS A 68 14.253 -10.231 2.533 1.00 0.00 H new ATOM 0 HD2 LYS A 68 16.502 -10.992 3.194 1.00 0.00 H new ATOM 0 HD3 LYS A 68 17.032 -9.332 3.387 1.00 0.00 H new ATOM 0 HE2 LYS A 68 15.399 -8.969 5.180 1.00 0.00 H new ATOM 0 HE3 LYS A 68 14.723 -10.567 4.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 16.237 -10.534 6.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 16.851 -11.536 5.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 17.506 -9.988 5.818 1.00 0.00 H new ATOM 1087 N GLY A 69 14.576 -7.391 -1.683 1.00 0.00 N ATOM 1088 CA GLY A 69 15.120 -6.718 -2.842 1.00 0.00 C ATOM 1089 C GLY A 69 14.350 -7.035 -4.102 1.00 0.00 C ATOM 1090 O GLY A 69 14.447 -6.316 -5.095 1.00 0.00 O ATOM 0 H GLY A 69 13.736 -6.962 -1.295 1.00 0.00 H new ATOM 0 HA2 GLY A 69 15.109 -5.641 -2.673 1.00 0.00 H new ATOM 0 HA3 GLY A 69 16.162 -7.009 -2.973 1.00 0.00 H new ATOM 1094 N GLN A 70 13.576 -8.106 -4.064 1.00 0.00 N ATOM 1095 CA GLN A 70 12.798 -8.509 -5.216 1.00 0.00 C ATOM 1096 C GLN A 70 11.417 -7.883 -5.146 1.00 0.00 C ATOM 1097 O GLN A 70 10.801 -7.840 -4.081 1.00 0.00 O ATOM 1098 CB GLN A 70 12.689 -10.034 -5.283 1.00 0.00 C ATOM 1099 CG GLN A 70 11.826 -10.529 -6.431 1.00 0.00 C ATOM 1100 CD GLN A 70 12.393 -10.157 -7.789 1.00 0.00 C ATOM 1101 OE1 GLN A 70 12.115 -9.078 -8.316 1.00 0.00 O ATOM 1102 NE2 GLN A 70 13.171 -11.051 -8.372 1.00 0.00 N ATOM 0 H GLN A 70 13.472 -8.709 -3.248 1.00 0.00 H new ATOM 0 HA GLN A 70 13.300 -8.163 -6.120 1.00 0.00 H new ATOM 0 HB2 GLN A 70 13.688 -10.458 -5.381 1.00 0.00 H new ATOM 0 HB3 GLN A 70 12.277 -10.403 -4.344 1.00 0.00 H new ATOM 0 HG2 GLN A 70 11.728 -11.613 -6.366 1.00 0.00 H new ATOM 0 HG3 GLN A 70 10.824 -10.112 -6.333 1.00 0.00 H new ATOM 0 HE21 GLN A 70 13.377 -11.932 -7.902 1.00 0.00 H new ATOM 0 HE22 GLN A 70 13.566 -10.860 -9.293 1.00 0.00 H new ATOM 1111 N VAL A 71 10.941 -7.395 -6.280 1.00 0.00 N ATOM 1112 CA VAL A 71 9.627 -6.792 -6.347 1.00 0.00 C ATOM 1113 C VAL A 71 8.558 -7.882 -6.351 1.00 0.00 C ATOM 1114 O VAL A 71 8.541 -8.763 -7.213 1.00 0.00 O ATOM 1115 CB VAL A 71 9.483 -5.878 -7.591 1.00 0.00 C ATOM 1116 CG1 VAL A 71 9.843 -6.622 -8.870 1.00 0.00 C ATOM 1117 CG2 VAL A 71 8.078 -5.301 -7.679 1.00 0.00 C ATOM 0 H VAL A 71 11.448 -7.406 -7.165 1.00 0.00 H new ATOM 0 HA VAL A 71 9.494 -6.164 -5.466 1.00 0.00 H new ATOM 0 HB VAL A 71 10.185 -5.052 -7.478 1.00 0.00 H new ATOM 0 HG11 VAL A 71 9.732 -5.953 -9.724 1.00 0.00 H new ATOM 0 HG12 VAL A 71 10.875 -6.967 -8.812 1.00 0.00 H new ATOM 0 HG13 VAL A 71 9.180 -7.479 -8.991 1.00 0.00 H new ATOM 0 HG21 VAL A 71 8.001 -4.663 -8.560 1.00 0.00 H new ATOM 0 HG22 VAL A 71 7.355 -6.113 -7.755 1.00 0.00 H new ATOM 0 HG23 VAL A 71 7.870 -4.713 -6.785 1.00 0.00 H new ATOM 1127 N LEU A 72 7.687 -7.837 -5.358 1.00 0.00 N ATOM 1128 CA LEU A 72 6.686 -8.880 -5.191 1.00 0.00 C ATOM 1129 C LEU A 72 5.286 -8.300 -5.331 1.00 0.00 C ATOM 1130 O LEU A 72 4.866 -7.476 -4.524 1.00 0.00 O ATOM 1131 CB LEU A 72 6.844 -9.547 -3.825 1.00 0.00 C ATOM 1132 CG LEU A 72 6.149 -10.897 -3.691 1.00 0.00 C ATOM 1133 CD1 LEU A 72 6.810 -11.912 -4.606 1.00 0.00 C ATOM 1134 CD2 LEU A 72 6.179 -11.373 -2.253 1.00 0.00 C ATOM 0 H LEU A 72 7.651 -7.095 -4.659 1.00 0.00 H new ATOM 0 HA LEU A 72 6.832 -9.629 -5.969 1.00 0.00 H new ATOM 0 HB2 LEU A 72 7.907 -9.679 -3.621 1.00 0.00 H new ATOM 0 HB3 LEU A 72 6.454 -8.875 -3.061 1.00 0.00 H new ATOM 0 HG LEU A 72 5.106 -10.786 -3.987 1.00 0.00 H new ATOM 0 HD11 LEU A 72 6.308 -12.874 -4.505 1.00 0.00 H new ATOM 0 HD12 LEU A 72 6.738 -11.572 -5.639 1.00 0.00 H new ATOM 0 HD13 LEU A 72 7.859 -12.020 -4.332 1.00 0.00 H new ATOM 0 HD21 LEU A 72 5.678 -12.338 -2.179 1.00 0.00 H new ATOM 0 HD22 LEU A 72 7.213 -11.475 -1.925 1.00 0.00 H new ATOM 0 HD23 LEU A 72 5.667 -10.649 -1.619 1.00 0.00 H new ATOM 1146 N SER A 73 4.560 -8.733 -6.347 1.00 0.00 N ATOM 1147 CA SER A 73 3.255 -8.166 -6.633 1.00 0.00 C ATOM 1148 C SER A 73 2.155 -8.912 -5.882 1.00 0.00 C ATOM 1149 O SER A 73 2.046 -10.137 -5.965 1.00 0.00 O ATOM 1150 CB SER A 73 2.992 -8.194 -8.140 1.00 0.00 C ATOM 1151 OG SER A 73 3.113 -9.508 -8.660 1.00 0.00 O ATOM 0 H SER A 73 4.851 -9.473 -6.986 1.00 0.00 H new ATOM 0 HA SER A 73 3.247 -7.131 -6.292 1.00 0.00 H new ATOM 0 HB2 SER A 73 1.992 -7.811 -8.344 1.00 0.00 H new ATOM 0 HB3 SER A 73 3.696 -7.534 -8.647 1.00 0.00 H new ATOM 0 HG SER A 73 2.789 -10.153 -7.997 1.00 0.00 H new ATOM 1157 N VAL A 74 1.365 -8.174 -5.120 1.00 0.00 N ATOM 1158 CA VAL A 74 0.207 -8.739 -4.449 1.00 0.00 C ATOM 1159 C VAL A 74 -1.029 -7.944 -4.798 1.00 0.00 C ATOM 1160 O VAL A 74 -1.027 -6.714 -4.787 1.00 0.00 O ATOM 1161 CB VAL A 74 0.405 -8.810 -2.916 1.00 0.00 C ATOM 1162 CG1 VAL A 74 0.768 -7.447 -2.345 1.00 0.00 C ATOM 1163 CG2 VAL A 74 -0.836 -9.369 -2.227 1.00 0.00 C ATOM 0 H VAL A 74 1.506 -7.178 -4.950 1.00 0.00 H new ATOM 0 HA VAL A 74 0.081 -9.763 -4.800 1.00 0.00 H new ATOM 0 HB VAL A 74 1.235 -9.489 -2.722 1.00 0.00 H new ATOM 0 HG11 VAL A 74 0.901 -7.528 -1.266 1.00 0.00 H new ATOM 0 HG12 VAL A 74 1.695 -7.097 -2.799 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -0.031 -6.738 -2.560 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -0.668 -9.408 -1.151 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -1.690 -8.726 -2.438 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -1.037 -10.374 -2.599 1.00 0.00 H new ATOM 1173 N MET A 75 -2.074 -8.660 -5.137 1.00 0.00 N ATOM 1174 CA MET A 75 -3.269 -8.038 -5.634 1.00 0.00 C ATOM 1175 C MET A 75 -4.408 -8.212 -4.640 1.00 0.00 C ATOM 1176 O MET A 75 -4.713 -9.325 -4.218 1.00 0.00 O ATOM 1177 CB MET A 75 -3.639 -8.629 -6.987 1.00 0.00 C ATOM 1178 CG MET A 75 -4.586 -7.745 -7.753 1.00 0.00 C ATOM 1179 SD MET A 75 -5.274 -8.539 -9.220 1.00 0.00 S ATOM 1180 CE MET A 75 -6.296 -7.216 -9.871 1.00 0.00 C ATOM 0 H MET A 75 -2.117 -9.677 -5.076 1.00 0.00 H new ATOM 0 HA MET A 75 -3.087 -6.971 -5.760 1.00 0.00 H new ATOM 0 HB2 MET A 75 -2.734 -8.784 -7.574 1.00 0.00 H new ATOM 0 HB3 MET A 75 -4.096 -9.608 -6.841 1.00 0.00 H new ATOM 0 HG2 MET A 75 -5.401 -7.442 -7.096 1.00 0.00 H new ATOM 0 HG3 MET A 75 -4.063 -6.836 -8.052 1.00 0.00 H new ATOM 0 HE1 MET A 75 -6.355 -7.302 -10.956 1.00 0.00 H new ATOM 0 HE2 MET A 75 -7.297 -7.287 -9.447 1.00 0.00 H new ATOM 0 HE3 MET A 75 -5.858 -6.254 -9.606 1.00 0.00 H new ATOM 1190 N PHE A 76 -5.033 -7.104 -4.289 1.00 0.00 N ATOM 1191 CA PHE A 76 -6.046 -7.082 -3.245 1.00 0.00 C ATOM 1192 C PHE A 76 -7.024 -5.945 -3.516 1.00 0.00 C ATOM 1193 O PHE A 76 -6.870 -5.211 -4.496 1.00 0.00 O ATOM 1194 CB PHE A 76 -5.391 -6.900 -1.871 1.00 0.00 C ATOM 1195 CG PHE A 76 -4.765 -5.547 -1.668 1.00 0.00 C ATOM 1196 CD1 PHE A 76 -3.618 -5.187 -2.355 1.00 0.00 C ATOM 1197 CD2 PHE A 76 -5.332 -4.633 -0.793 1.00 0.00 C ATOM 1198 CE1 PHE A 76 -3.047 -3.944 -2.173 1.00 0.00 C ATOM 1199 CE2 PHE A 76 -4.767 -3.388 -0.608 1.00 0.00 C ATOM 1200 CZ PHE A 76 -3.623 -3.044 -1.299 1.00 0.00 C ATOM 0 H PHE A 76 -4.855 -6.195 -4.717 1.00 0.00 H new ATOM 0 HA PHE A 76 -6.584 -8.030 -3.246 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -6.142 -7.062 -1.097 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -4.627 -7.666 -1.739 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -3.165 -5.887 -3.041 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -6.227 -4.899 -0.250 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -2.151 -3.676 -2.713 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -5.219 -2.685 0.076 1.00 0.00 H new ATOM 0 HZ PHE A 76 -3.178 -2.070 -1.156 1.00 0.00 H new ATOM 1210 N ARG A 77 -8.024 -5.796 -2.661 1.00 0.00 N ATOM 1211 CA ARG A 77 -8.966 -4.698 -2.794 1.00 0.00 C ATOM 1212 C ARG A 77 -8.675 -3.642 -1.737 1.00 0.00 C ATOM 1213 O ARG A 77 -8.786 -3.911 -0.539 1.00 0.00 O ATOM 1214 CB ARG A 77 -10.411 -5.183 -2.652 1.00 0.00 C ATOM 1215 CG ARG A 77 -10.780 -6.339 -3.562 1.00 0.00 C ATOM 1216 CD ARG A 77 -12.265 -6.640 -3.473 1.00 0.00 C ATOM 1217 NE ARG A 77 -12.608 -7.938 -4.041 1.00 0.00 N ATOM 1218 CZ ARG A 77 -13.845 -8.292 -4.386 1.00 0.00 C ATOM 1219 NH1 ARG A 77 -14.846 -7.430 -4.249 1.00 0.00 N ATOM 1220 NH2 ARG A 77 -14.079 -9.503 -4.873 1.00 0.00 N ATOM 0 H ARG A 77 -8.203 -6.418 -1.873 1.00 0.00 H new ATOM 0 HA ARG A 77 -8.848 -4.269 -3.789 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -10.580 -5.483 -1.618 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -11.082 -4.349 -2.855 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -10.514 -6.097 -4.591 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -10.207 -7.224 -3.284 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -12.576 -6.611 -2.429 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -12.822 -5.861 -3.994 1.00 0.00 H new ATOM 0 HE ARG A 77 -11.858 -8.614 -4.182 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -14.668 -6.496 -3.879 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -15.793 -7.702 -4.513 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -13.311 -10.165 -4.984 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -15.027 -9.772 -5.137 1.00 0.00 H new ATOM 1234 N PHE A 78 -8.298 -2.453 -2.184 1.00 0.00 N ATOM 1235 CA PHE A 78 -7.987 -1.355 -1.281 1.00 0.00 C ATOM 1236 C PHE A 78 -9.250 -0.551 -1.016 1.00 0.00 C ATOM 1237 O PHE A 78 -10.022 -0.284 -1.939 1.00 0.00 O ATOM 1238 CB PHE A 78 -6.921 -0.450 -1.911 1.00 0.00 C ATOM 1239 CG PHE A 78 -6.155 0.401 -0.931 1.00 0.00 C ATOM 1240 CD1 PHE A 78 -6.715 1.540 -0.372 1.00 0.00 C ATOM 1241 CD2 PHE A 78 -4.856 0.062 -0.583 1.00 0.00 C ATOM 1242 CE1 PHE A 78 -5.995 2.321 0.515 1.00 0.00 C ATOM 1243 CE2 PHE A 78 -4.135 0.837 0.302 1.00 0.00 C ATOM 1244 CZ PHE A 78 -4.702 1.968 0.851 1.00 0.00 C ATOM 0 H PHE A 78 -8.200 -2.223 -3.173 1.00 0.00 H new ATOM 0 HA PHE A 78 -7.604 -1.754 -0.342 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -6.214 -1.072 -2.460 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -7.403 0.203 -2.639 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -7.725 1.821 -0.632 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -4.403 -0.820 -1.010 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -6.443 3.205 0.944 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -3.125 0.558 0.565 1.00 0.00 H new ATOM 0 HZ PHE A 78 -4.137 2.576 1.542 1.00 0.00 H new ATOM 1254 N ARG A 79 -9.473 -0.185 0.232 1.00 0.00 N ATOM 1255 CA ARG A 79 -10.639 0.602 0.570 1.00 0.00 C ATOM 1256 C ARG A 79 -10.387 2.080 0.312 1.00 0.00 C ATOM 1257 O ARG A 79 -9.692 2.747 1.071 1.00 0.00 O ATOM 1258 CB ARG A 79 -11.041 0.386 2.023 1.00 0.00 C ATOM 1259 CG ARG A 79 -12.484 0.763 2.301 1.00 0.00 C ATOM 1260 CD ARG A 79 -12.837 0.569 3.760 1.00 0.00 C ATOM 1261 NE ARG A 79 -12.101 1.480 4.636 1.00 0.00 N ATOM 1262 CZ ARG A 79 -12.245 1.514 5.959 1.00 0.00 C ATOM 1263 NH1 ARG A 79 -13.043 0.643 6.567 1.00 0.00 N ATOM 1264 NH2 ARG A 79 -11.580 2.416 6.670 1.00 0.00 N ATOM 0 H ARG A 79 -8.868 -0.418 1.020 1.00 0.00 H new ATOM 0 HA ARG A 79 -11.459 0.271 -0.068 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -10.888 -0.661 2.285 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -10.387 0.974 2.667 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -12.650 1.803 2.021 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -13.145 0.157 1.682 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -13.907 0.724 3.896 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -12.624 -0.460 4.049 1.00 0.00 H new ATOM 0 HE ARG A 79 -11.439 2.127 4.208 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -13.548 -0.055 6.020 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -13.151 0.672 7.581 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -10.962 3.079 6.203 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -11.687 2.446 7.684 1.00 0.00 H new ATOM 1278 N SER A 80 -10.930 2.569 -0.790 1.00 0.00 N ATOM 1279 CA SER A 80 -10.887 3.988 -1.119 1.00 0.00 C ATOM 1280 C SER A 80 -11.638 4.818 -0.064 1.00 0.00 C ATOM 1281 O SER A 80 -12.277 4.266 0.837 1.00 0.00 O ATOM 1282 CB SER A 80 -11.503 4.192 -2.506 1.00 0.00 C ATOM 1283 OG SER A 80 -11.510 5.552 -2.897 1.00 0.00 O ATOM 0 H SER A 80 -11.413 1.996 -1.482 1.00 0.00 H new ATOM 0 HA SER A 80 -9.851 4.327 -1.126 1.00 0.00 H new ATOM 0 HB2 SER A 80 -10.945 3.609 -3.238 1.00 0.00 H new ATOM 0 HB3 SER A 80 -12.524 3.811 -2.507 1.00 0.00 H new ATOM 0 HG SER A 80 -11.910 5.634 -3.788 1.00 0.00 H new ATOM 1289 N LYS A 81 -11.585 6.148 -0.201 1.00 0.00 N ATOM 1290 CA LYS A 81 -12.222 7.071 0.743 1.00 0.00 C ATOM 1291 C LYS A 81 -13.740 7.017 0.611 1.00 0.00 C ATOM 1292 O LYS A 81 -14.468 7.746 1.281 1.00 0.00 O ATOM 1293 CB LYS A 81 -11.737 8.505 0.493 1.00 0.00 C ATOM 1294 CG LYS A 81 -12.111 9.489 1.595 1.00 0.00 C ATOM 1295 CD LYS A 81 -11.675 8.990 2.966 1.00 0.00 C ATOM 1296 CE LYS A 81 -12.131 9.918 4.076 1.00 0.00 C ATOM 1297 NZ LYS A 81 -11.731 9.425 5.424 1.00 0.00 N ATOM 0 H LYS A 81 -11.100 6.613 -0.968 1.00 0.00 H new ATOM 0 HA LYS A 81 -11.945 6.766 1.752 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -10.653 8.496 0.381 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -12.152 8.858 -0.451 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -11.646 10.454 1.394 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -13.189 9.647 1.591 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -12.082 7.993 3.136 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -10.589 8.900 2.991 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -11.709 10.910 3.914 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -13.215 10.023 4.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -12.400 9.781 6.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -11.739 8.385 5.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -10.774 9.765 5.648 1.00 0.00 H new ATOM 1311 N ASN A 82 -14.205 6.136 -0.250 1.00 0.00 N ATOM 1312 CA ASN A 82 -15.624 5.947 -0.467 1.00 0.00 C ATOM 1313 C ASN A 82 -16.023 4.638 0.167 1.00 0.00 C ATOM 1314 O ASN A 82 -17.147 4.162 0.007 1.00 0.00 O ATOM 1315 CB ASN A 82 -15.933 5.932 -1.966 1.00 0.00 C ATOM 1316 CG ASN A 82 -15.444 7.182 -2.671 1.00 0.00 C ATOM 1317 OD1 ASN A 82 -15.576 8.295 -2.165 1.00 0.00 O ATOM 1318 ND2 ASN A 82 -14.838 7.005 -3.834 1.00 0.00 N ATOM 0 H ASN A 82 -13.611 5.532 -0.818 1.00 0.00 H new ATOM 0 HA ASN A 82 -16.187 6.766 -0.019 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -15.469 5.057 -2.421 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -17.009 5.834 -2.111 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -14.462 7.807 -4.341 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -14.747 6.067 -4.224 1.00 0.00 H new ATOM 1325 N GLN A 83 -15.055 4.060 0.881 1.00 0.00 N ATOM 1326 CA GLN A 83 -15.253 2.834 1.623 1.00 0.00 C ATOM 1327 C GLN A 83 -15.622 1.710 0.671 1.00 0.00 C ATOM 1328 O GLN A 83 -16.361 0.786 1.007 1.00 0.00 O ATOM 1329 CB GLN A 83 -16.291 3.061 2.720 1.00 0.00 C ATOM 1330 CG GLN A 83 -15.720 3.776 3.946 1.00 0.00 C ATOM 1331 CD GLN A 83 -14.691 4.852 3.616 1.00 0.00 C ATOM 1332 OE1 GLN A 83 -13.490 4.579 3.554 1.00 0.00 O ATOM 1333 NE2 GLN A 83 -15.140 6.080 3.416 1.00 0.00 N ATOM 0 H GLN A 83 -14.111 4.439 0.955 1.00 0.00 H new ATOM 0 HA GLN A 83 -14.330 2.533 2.118 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -17.116 3.648 2.316 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -16.704 2.100 3.026 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -16.540 4.231 4.503 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -15.260 3.037 4.602 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -16.140 6.273 3.474 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -14.486 6.834 3.203 1.00 0.00 H new ATOM 1342 N GLU A 84 -15.074 1.826 -0.529 1.00 0.00 N ATOM 1343 CA GLU A 84 -15.251 0.854 -1.579 1.00 0.00 C ATOM 1344 C GLU A 84 -14.026 -0.045 -1.645 1.00 0.00 C ATOM 1345 O GLU A 84 -12.958 0.328 -1.158 1.00 0.00 O ATOM 1346 CB GLU A 84 -15.433 1.589 -2.905 1.00 0.00 C ATOM 1347 CG GLU A 84 -14.215 2.415 -3.295 1.00 0.00 C ATOM 1348 CD GLU A 84 -14.395 3.192 -4.584 1.00 0.00 C ATOM 1349 OE1 GLU A 84 -14.486 2.562 -5.655 1.00 0.00 O ATOM 1350 OE2 GLU A 84 -14.416 4.439 -4.528 1.00 0.00 O ATOM 0 H GLU A 84 -14.485 2.614 -0.798 1.00 0.00 H new ATOM 0 HA GLU A 84 -16.130 0.241 -1.380 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -15.641 0.864 -3.691 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -16.303 2.243 -2.836 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -13.987 3.113 -2.489 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -13.355 1.753 -3.397 1.00 0.00 H new ATOM 1357 N TRP A 85 -14.162 -1.213 -2.247 1.00 0.00 N ATOM 1358 CA TRP A 85 -13.071 -2.157 -2.296 1.00 0.00 C ATOM 1359 C TRP A 85 -12.641 -2.396 -3.743 1.00 0.00 C ATOM 1360 O TRP A 85 -13.070 -3.354 -4.390 1.00 0.00 O ATOM 1361 CB TRP A 85 -13.507 -3.456 -1.628 1.00 0.00 C ATOM 1362 CG TRP A 85 -14.066 -3.236 -0.250 1.00 0.00 C ATOM 1363 CD1 TRP A 85 -15.382 -3.090 0.083 1.00 0.00 C ATOM 1364 CD2 TRP A 85 -13.327 -3.114 0.971 1.00 0.00 C ATOM 1365 NE1 TRP A 85 -15.503 -2.887 1.436 1.00 0.00 N ATOM 1366 CE2 TRP A 85 -14.261 -2.903 2.003 1.00 0.00 C ATOM 1367 CE3 TRP A 85 -11.971 -3.164 1.298 1.00 0.00 C ATOM 1368 CZ2 TRP A 85 -13.886 -2.745 3.332 1.00 0.00 C ATOM 1369 CZ3 TRP A 85 -11.599 -3.007 2.619 1.00 0.00 C ATOM 1370 CH2 TRP A 85 -12.553 -2.801 3.622 1.00 0.00 C ATOM 0 H TRP A 85 -15.017 -1.526 -2.707 1.00 0.00 H new ATOM 0 HA TRP A 85 -12.211 -1.756 -1.759 1.00 0.00 H new ATOM 0 HB2 TRP A 85 -14.259 -3.945 -2.248 1.00 0.00 H new ATOM 0 HB3 TRP A 85 -12.655 -4.133 -1.567 1.00 0.00 H new ATOM 0 HD1 TRP A 85 -16.206 -3.128 -0.614 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -16.380 -2.747 1.937 1.00 0.00 H new ATOM 0 HE3 TRP A 85 -11.226 -3.323 0.532 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 -14.621 -2.584 4.106 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 -10.552 -3.044 2.883 1.00 0.00 H new ATOM 0 HH2 TRP A 85 -12.228 -2.684 4.645 1.00 0.00 H new ATOM 1381 N LEU A 86 -11.785 -1.511 -4.236 1.00 0.00 N ATOM 1382 CA LEU A 86 -11.337 -1.542 -5.625 1.00 0.00 C ATOM 1383 C LEU A 86 -10.075 -2.390 -5.779 1.00 0.00 C ATOM 1384 O LEU A 86 -9.358 -2.633 -4.810 1.00 0.00 O ATOM 1385 CB LEU A 86 -11.107 -0.109 -6.131 1.00 0.00 C ATOM 1386 CG LEU A 86 -10.511 0.877 -5.112 1.00 0.00 C ATOM 1387 CD1 LEU A 86 -9.049 0.569 -4.831 1.00 0.00 C ATOM 1388 CD2 LEU A 86 -10.665 2.307 -5.605 1.00 0.00 C ATOM 0 H LEU A 86 -11.381 -0.752 -3.687 1.00 0.00 H new ATOM 0 HA LEU A 86 -12.115 -2.006 -6.232 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -10.445 -0.152 -6.996 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -12.060 0.290 -6.479 1.00 0.00 H new ATOM 0 HG LEU A 86 -11.062 0.764 -4.178 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -8.659 1.285 -4.107 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -8.961 -0.440 -4.428 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -8.478 0.641 -5.756 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -10.238 2.992 -4.873 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -10.145 2.422 -6.556 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -11.723 2.533 -5.740 1.00 0.00 H new ATOM 1400 N TRP A 87 -9.797 -2.821 -7.002 1.00 0.00 N ATOM 1401 CA TRP A 87 -8.699 -3.744 -7.254 1.00 0.00 C ATOM 1402 C TRP A 87 -7.383 -3.014 -7.436 1.00 0.00 C ATOM 1403 O TRP A 87 -7.178 -2.302 -8.418 1.00 0.00 O ATOM 1404 CB TRP A 87 -8.988 -4.603 -8.482 1.00 0.00 C ATOM 1405 CG TRP A 87 -10.011 -5.658 -8.225 1.00 0.00 C ATOM 1406 CD1 TRP A 87 -11.321 -5.644 -8.601 1.00 0.00 C ATOM 1407 CD2 TRP A 87 -9.807 -6.886 -7.519 1.00 0.00 C ATOM 1408 NE1 TRP A 87 -11.943 -6.793 -8.180 1.00 0.00 N ATOM 1409 CE2 TRP A 87 -11.033 -7.572 -7.511 1.00 0.00 C ATOM 1410 CE3 TRP A 87 -8.699 -7.472 -6.895 1.00 0.00 C ATOM 1411 CZ2 TRP A 87 -11.183 -8.817 -6.905 1.00 0.00 C ATOM 1412 CZ3 TRP A 87 -8.852 -8.704 -6.292 1.00 0.00 C ATOM 1413 CH2 TRP A 87 -10.083 -9.365 -6.301 1.00 0.00 C ATOM 0 H TRP A 87 -10.317 -2.546 -7.835 1.00 0.00 H new ATOM 0 HA TRP A 87 -8.611 -4.388 -6.379 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -9.330 -3.962 -9.295 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -8.063 -5.074 -8.815 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -11.799 -4.846 -9.150 1.00 0.00 H new ATOM 0 HE1 TRP A 87 -12.922 -7.029 -8.339 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -7.743 -6.970 -6.886 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -12.133 -9.332 -6.911 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -8.006 -9.165 -5.805 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -10.169 -10.329 -5.821 1.00 0.00 H new ATOM 1424 N MET A 88 -6.490 -3.206 -6.484 1.00 0.00 N ATOM 1425 CA MET A 88 -5.176 -2.595 -6.527 1.00 0.00 C ATOM 1426 C MET A 88 -4.091 -3.652 -6.383 1.00 0.00 C ATOM 1427 O MET A 88 -4.224 -4.596 -5.603 1.00 0.00 O ATOM 1428 CB MET A 88 -5.047 -1.548 -5.419 1.00 0.00 C ATOM 1429 CG MET A 88 -3.638 -0.998 -5.257 1.00 0.00 C ATOM 1430 SD MET A 88 -3.575 0.794 -5.424 1.00 0.00 S ATOM 1431 CE MET A 88 -4.571 1.290 -4.027 1.00 0.00 C ATOM 0 H MET A 88 -6.654 -3.788 -5.662 1.00 0.00 H new ATOM 0 HA MET A 88 -5.052 -2.104 -7.492 1.00 0.00 H new ATOM 0 HB2 MET A 88 -5.727 -0.723 -5.630 1.00 0.00 H new ATOM 0 HB3 MET A 88 -5.366 -1.990 -4.475 1.00 0.00 H new ATOM 0 HG2 MET A 88 -3.250 -1.283 -4.279 1.00 0.00 H new ATOM 0 HG3 MET A 88 -2.986 -1.453 -6.003 1.00 0.00 H new ATOM 0 HE1 MET A 88 -4.630 2.378 -3.990 1.00 0.00 H new ATOM 0 HE2 MET A 88 -5.574 0.876 -4.130 1.00 0.00 H new ATOM 0 HE3 MET A 88 -4.118 0.920 -3.107 1.00 0.00 H new ATOM 1441 N ARG A 89 -3.033 -3.502 -7.157 1.00 0.00 N ATOM 1442 CA ARG A 89 -1.882 -4.376 -7.051 1.00 0.00 C ATOM 1443 C ARG A 89 -0.719 -3.624 -6.427 1.00 0.00 C ATOM 1444 O ARG A 89 -0.251 -2.620 -6.971 1.00 0.00 O ATOM 1445 CB ARG A 89 -1.472 -4.906 -8.424 1.00 0.00 C ATOM 1446 CG ARG A 89 -0.349 -5.929 -8.363 1.00 0.00 C ATOM 1447 CD ARG A 89 0.296 -6.131 -9.722 1.00 0.00 C ATOM 1448 NE ARG A 89 1.135 -4.993 -10.110 1.00 0.00 N ATOM 1449 CZ ARG A 89 1.703 -4.862 -11.311 1.00 0.00 C ATOM 1450 NH1 ARG A 89 1.466 -5.762 -12.261 1.00 0.00 N ATOM 1451 NH2 ARG A 89 2.502 -3.832 -11.562 1.00 0.00 N ATOM 0 H ARG A 89 -2.948 -2.778 -7.870 1.00 0.00 H new ATOM 0 HA ARG A 89 -2.152 -5.222 -6.419 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -2.340 -5.357 -8.905 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -1.159 -4.070 -9.050 1.00 0.00 H new ATOM 0 HG2 ARG A 89 0.405 -5.601 -7.647 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -0.741 -6.879 -8.001 1.00 0.00 H new ATOM 0 HD2 ARG A 89 0.901 -7.037 -9.704 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -0.480 -6.281 -10.472 1.00 0.00 H new ATOM 0 HE ARG A 89 1.294 -4.258 -9.421 1.00 0.00 H new ATOM 0 HH11 ARG A 89 0.850 -6.553 -12.072 1.00 0.00 H new ATOM 0 HH12 ARG A 89 1.900 -5.661 -13.178 1.00 0.00 H new ATOM 0 HH21 ARG A 89 2.683 -3.138 -10.836 1.00 0.00 H new ATOM 0 HH22 ARG A 89 2.935 -3.734 -12.480 1.00 0.00 H new ATOM 1465 N THR A 90 -0.272 -4.096 -5.284 1.00 0.00 N ATOM 1466 CA THR A 90 0.883 -3.524 -4.626 1.00 0.00 C ATOM 1467 C THR A 90 2.144 -4.297 -4.994 1.00 0.00 C ATOM 1468 O THR A 90 2.210 -5.518 -4.841 1.00 0.00 O ATOM 1469 CB THR A 90 0.707 -3.509 -3.093 1.00 0.00 C ATOM 1470 OG1 THR A 90 -0.370 -2.632 -2.738 1.00 0.00 O ATOM 1471 CG2 THR A 90 1.981 -3.054 -2.390 1.00 0.00 C ATOM 0 H THR A 90 -0.694 -4.881 -4.788 1.00 0.00 H new ATOM 0 HA THR A 90 0.981 -2.494 -4.969 1.00 0.00 H new ATOM 0 HB THR A 90 0.483 -4.526 -2.771 1.00 0.00 H new ATOM 0 HG1 THR A 90 -0.019 -1.730 -2.581 1.00 0.00 H new ATOM 0 HG21 THR A 90 1.822 -3.055 -1.312 1.00 0.00 H new ATOM 0 HG22 THR A 90 2.796 -3.734 -2.637 1.00 0.00 H new ATOM 0 HG23 THR A 90 2.237 -2.047 -2.718 1.00 0.00 H new ATOM 1479 N SER A 91 3.124 -3.581 -5.510 1.00 0.00 N ATOM 1480 CA SER A 91 4.430 -4.149 -5.757 1.00 0.00 C ATOM 1481 C SER A 91 5.301 -3.910 -4.529 1.00 0.00 C ATOM 1482 O SER A 91 5.539 -2.765 -4.135 1.00 0.00 O ATOM 1483 CB SER A 91 5.058 -3.539 -7.014 1.00 0.00 C ATOM 1484 OG SER A 91 4.272 -3.819 -8.164 1.00 0.00 O ATOM 0 H SER A 91 3.037 -2.598 -5.767 1.00 0.00 H new ATOM 0 HA SER A 91 4.342 -5.221 -5.933 1.00 0.00 H new ATOM 0 HB2 SER A 91 5.155 -2.460 -6.889 1.00 0.00 H new ATOM 0 HB3 SER A 91 6.064 -3.936 -7.151 1.00 0.00 H new ATOM 0 HG SER A 91 4.692 -3.418 -8.953 1.00 0.00 H new ATOM 1490 N SER A 92 5.746 -4.994 -3.920 1.00 0.00 N ATOM 1491 CA SER A 92 6.437 -4.936 -2.647 1.00 0.00 C ATOM 1492 C SER A 92 7.937 -4.824 -2.850 1.00 0.00 C ATOM 1493 O SER A 92 8.521 -5.549 -3.656 1.00 0.00 O ATOM 1494 CB SER A 92 6.120 -6.186 -1.820 1.00 0.00 C ATOM 1495 OG SER A 92 4.728 -6.458 -1.828 1.00 0.00 O ATOM 0 H SER A 92 5.638 -5.937 -4.294 1.00 0.00 H new ATOM 0 HA SER A 92 6.092 -4.051 -2.113 1.00 0.00 H new ATOM 0 HB2 SER A 92 6.664 -7.041 -2.222 1.00 0.00 H new ATOM 0 HB3 SER A 92 6.461 -6.045 -0.794 1.00 0.00 H new ATOM 0 HG SER A 92 4.474 -6.841 -2.694 1.00 0.00 H new ATOM 1501 N PHE A 93 8.544 -3.902 -2.129 1.00 0.00 N ATOM 1502 CA PHE A 93 9.985 -3.745 -2.130 1.00 0.00 C ATOM 1503 C PHE A 93 10.464 -3.479 -0.712 1.00 0.00 C ATOM 1504 O PHE A 93 9.860 -2.694 0.015 1.00 0.00 O ATOM 1505 CB PHE A 93 10.392 -2.592 -3.051 1.00 0.00 C ATOM 1506 CG PHE A 93 11.849 -2.212 -2.952 1.00 0.00 C ATOM 1507 CD1 PHE A 93 12.793 -2.825 -3.758 1.00 0.00 C ATOM 1508 CD2 PHE A 93 12.270 -1.246 -2.047 1.00 0.00 C ATOM 1509 CE1 PHE A 93 14.129 -2.483 -3.667 1.00 0.00 C ATOM 1510 CE2 PHE A 93 13.605 -0.899 -1.949 1.00 0.00 C ATOM 1511 CZ PHE A 93 14.536 -1.520 -2.761 1.00 0.00 C ATOM 0 H PHE A 93 8.053 -3.241 -1.527 1.00 0.00 H new ATOM 0 HA PHE A 93 10.446 -4.660 -2.501 1.00 0.00 H new ATOM 0 HB2 PHE A 93 10.168 -2.868 -4.082 1.00 0.00 H new ATOM 0 HB3 PHE A 93 9.783 -1.720 -2.815 1.00 0.00 H new ATOM 0 HD1 PHE A 93 12.482 -3.579 -4.466 1.00 0.00 H new ATOM 0 HD2 PHE A 93 11.545 -0.759 -1.411 1.00 0.00 H new ATOM 0 HE1 PHE A 93 14.855 -2.967 -4.303 1.00 0.00 H new ATOM 0 HE2 PHE A 93 13.919 -0.146 -1.241 1.00 0.00 H new ATOM 0 HZ PHE A 93 15.580 -1.254 -2.688 1.00 0.00 H new ATOM 1521 N THR A 94 11.532 -4.141 -0.320 1.00 0.00 N ATOM 1522 CA THR A 94 12.121 -3.922 0.983 1.00 0.00 C ATOM 1523 C THR A 94 13.407 -3.119 0.844 1.00 0.00 C ATOM 1524 O THR A 94 14.365 -3.582 0.222 1.00 0.00 O ATOM 1525 CB THR A 94 12.420 -5.262 1.670 1.00 0.00 C ATOM 1526 OG1 THR A 94 13.176 -6.101 0.787 1.00 0.00 O ATOM 1527 CG2 THR A 94 11.135 -5.965 2.078 1.00 0.00 C ATOM 0 H THR A 94 12.012 -4.839 -0.889 1.00 0.00 H new ATOM 0 HA THR A 94 11.411 -3.364 1.594 1.00 0.00 H new ATOM 0 HB THR A 94 13.001 -5.064 2.571 1.00 0.00 H new ATOM 0 HG1 THR A 94 13.848 -5.562 0.320 1.00 0.00 H new ATOM 0 HG21 THR A 94 11.376 -6.911 2.562 1.00 0.00 H new ATOM 0 HG22 THR A 94 10.579 -5.334 2.771 1.00 0.00 H new ATOM 0 HG23 THR A 94 10.527 -6.155 1.193 1.00 0.00 H new ATOM 1535 N PHE A 95 13.424 -1.913 1.397 1.00 0.00 N ATOM 1536 CA PHE A 95 14.590 -1.054 1.269 1.00 0.00 C ATOM 1537 C PHE A 95 15.676 -1.505 2.236 1.00 0.00 C ATOM 1538 O PHE A 95 15.578 -1.291 3.446 1.00 0.00 O ATOM 1539 CB PHE A 95 14.228 0.412 1.520 1.00 0.00 C ATOM 1540 CG PHE A 95 15.212 1.376 0.916 1.00 0.00 C ATOM 1541 CD1 PHE A 95 16.494 1.499 1.428 1.00 0.00 C ATOM 1542 CD2 PHE A 95 14.854 2.154 -0.173 1.00 0.00 C ATOM 1543 CE1 PHE A 95 17.399 2.381 0.865 1.00 0.00 C ATOM 1544 CE2 PHE A 95 15.753 3.038 -0.738 1.00 0.00 C ATOM 1545 CZ PHE A 95 17.029 3.151 -0.219 1.00 0.00 C ATOM 0 H PHE A 95 12.653 -1.513 1.932 1.00 0.00 H new ATOM 0 HA PHE A 95 14.964 -1.135 0.248 1.00 0.00 H new ATOM 0 HB2 PHE A 95 13.237 0.610 1.111 1.00 0.00 H new ATOM 0 HB3 PHE A 95 14.170 0.587 2.594 1.00 0.00 H new ATOM 0 HD1 PHE A 95 16.790 0.899 2.276 1.00 0.00 H new ATOM 0 HD2 PHE A 95 13.860 2.068 -0.586 1.00 0.00 H new ATOM 0 HE1 PHE A 95 18.395 2.467 1.274 1.00 0.00 H new ATOM 0 HE2 PHE A 95 15.459 3.640 -1.585 1.00 0.00 H new ATOM 0 HZ PHE A 95 17.734 3.840 -0.660 1.00 0.00 H new ATOM 1555 N GLN A 96 16.697 -2.145 1.689 1.00 0.00 N ATOM 1556 CA GLN A 96 17.792 -2.669 2.482 1.00 0.00 C ATOM 1557 C GLN A 96 19.020 -1.788 2.368 1.00 0.00 C ATOM 1558 O GLN A 96 19.305 -1.236 1.305 1.00 0.00 O ATOM 1559 CB GLN A 96 18.159 -4.078 2.026 1.00 0.00 C ATOM 1560 CG GLN A 96 17.065 -5.103 2.237 1.00 0.00 C ATOM 1561 CD GLN A 96 17.493 -6.476 1.784 1.00 0.00 C ATOM 1562 OE1 GLN A 96 17.290 -6.852 0.633 1.00 0.00 O ATOM 1563 NE2 GLN A 96 18.092 -7.230 2.690 1.00 0.00 N ATOM 0 H GLN A 96 16.788 -2.314 0.687 1.00 0.00 H new ATOM 0 HA GLN A 96 17.459 -2.691 3.520 1.00 0.00 H new ATOM 0 HB2 GLN A 96 18.416 -4.050 0.967 1.00 0.00 H new ATOM 0 HB3 GLN A 96 19.052 -4.400 2.562 1.00 0.00 H new ATOM 0 HG2 GLN A 96 16.795 -5.136 3.293 1.00 0.00 H new ATOM 0 HG3 GLN A 96 16.172 -4.801 1.689 1.00 0.00 H new ATOM 0 HE21 GLN A 96 18.238 -6.873 3.634 1.00 0.00 H new ATOM 0 HE22 GLN A 96 18.408 -8.168 2.445 1.00 0.00 H new ATOM 1659 N ILE A 103 16.633 -3.646 6.885 1.00 0.00 N ATOM 1660 CA ILE A 103 15.558 -2.959 6.190 1.00 0.00 C ATOM 1661 C ILE A 103 15.045 -1.811 7.034 1.00 0.00 C ATOM 1662 O ILE A 103 14.697 -1.996 8.204 1.00 0.00 O ATOM 1663 CB ILE A 103 14.388 -3.909 5.870 1.00 0.00 C ATOM 1664 CG1 ILE A 103 14.844 -4.989 4.899 1.00 0.00 C ATOM 1665 CG2 ILE A 103 13.203 -3.144 5.296 1.00 0.00 C ATOM 1666 CD1 ILE A 103 13.798 -6.045 4.641 1.00 0.00 C ATOM 0 HA ILE A 103 15.964 -2.583 5.251 1.00 0.00 H new ATOM 0 HB ILE A 103 14.065 -4.380 6.798 1.00 0.00 H new ATOM 0 HG12 ILE A 103 15.120 -4.523 3.953 1.00 0.00 H new ATOM 0 HG13 ILE A 103 15.741 -5.466 5.293 1.00 0.00 H new ATOM 0 HG21 ILE A 103 12.392 -3.839 5.079 1.00 0.00 H new ATOM 0 HG22 ILE A 103 12.863 -2.403 6.020 1.00 0.00 H new ATOM 0 HG23 ILE A 103 13.505 -2.641 4.377 1.00 0.00 H new ATOM 0 HD11 ILE A 103 14.190 -6.782 3.941 1.00 0.00 H new ATOM 0 HD12 ILE A 103 13.539 -6.537 5.578 1.00 0.00 H new ATOM 0 HD13 ILE A 103 12.908 -5.580 4.217 1.00 0.00 H new ATOM 1678 N GLU A 104 15.011 -0.632 6.443 1.00 0.00 N ATOM 1679 CA GLU A 104 14.489 0.535 7.118 1.00 0.00 C ATOM 1680 C GLU A 104 12.973 0.591 7.015 1.00 0.00 C ATOM 1681 O GLU A 104 12.286 0.922 7.980 1.00 0.00 O ATOM 1682 CB GLU A 104 15.117 1.806 6.559 1.00 0.00 C ATOM 1683 CG GLU A 104 15.181 1.845 5.050 1.00 0.00 C ATOM 1684 CD GLU A 104 16.145 2.911 4.565 1.00 0.00 C ATOM 1685 OE1 GLU A 104 17.292 2.946 5.062 1.00 0.00 O ATOM 1686 OE2 GLU A 104 15.757 3.738 3.710 1.00 0.00 O ATOM 0 H GLU A 104 15.341 -0.459 5.493 1.00 0.00 H new ATOM 0 HA GLU A 104 14.751 0.460 8.173 1.00 0.00 H new ATOM 0 HB2 GLU A 104 14.547 2.666 6.911 1.00 0.00 H new ATOM 0 HB3 GLU A 104 16.126 1.907 6.958 1.00 0.00 H new ATOM 0 HG2 GLU A 104 15.493 0.871 4.672 1.00 0.00 H new ATOM 0 HG3 GLU A 104 14.187 2.040 4.647 1.00 0.00 H new ATOM 1693 N TYR A 105 12.457 0.261 5.841 1.00 0.00 N ATOM 1694 CA TYR A 105 11.021 0.281 5.608 1.00 0.00 C ATOM 1695 C TYR A 105 10.671 -0.489 4.345 1.00 0.00 C ATOM 1696 O TYR A 105 11.548 -0.845 3.553 1.00 0.00 O ATOM 1697 CB TYR A 105 10.509 1.728 5.492 1.00 0.00 C ATOM 1698 CG TYR A 105 11.250 2.566 4.468 1.00 0.00 C ATOM 1699 CD1 TYR A 105 11.083 2.348 3.107 1.00 0.00 C ATOM 1700 CD2 TYR A 105 12.118 3.571 4.869 1.00 0.00 C ATOM 1701 CE1 TYR A 105 11.768 3.100 2.176 1.00 0.00 C ATOM 1702 CE2 TYR A 105 12.803 4.330 3.942 1.00 0.00 C ATOM 1703 CZ TYR A 105 12.624 4.090 2.597 1.00 0.00 C ATOM 1704 OH TYR A 105 13.317 4.834 1.671 1.00 0.00 O ATOM 0 H TYR A 105 13.012 -0.024 5.034 1.00 0.00 H new ATOM 0 HA TYR A 105 10.537 -0.198 6.459 1.00 0.00 H new ATOM 0 HB2 TYR A 105 9.451 1.708 5.232 1.00 0.00 H new ATOM 0 HB3 TYR A 105 10.589 2.210 6.467 1.00 0.00 H new ATOM 0 HD1 TYR A 105 10.405 1.577 2.772 1.00 0.00 H new ATOM 0 HD2 TYR A 105 12.260 3.762 5.922 1.00 0.00 H new ATOM 0 HE1 TYR A 105 11.633 2.912 1.121 1.00 0.00 H new ATOM 0 HE2 TYR A 105 13.476 5.108 4.269 1.00 0.00 H new ATOM 0 HH TYR A 105 13.808 4.235 1.071 1.00 0.00 H new ATOM 1714 N ILE A 106 9.389 -0.738 4.170 1.00 0.00 N ATOM 1715 CA ILE A 106 8.885 -1.354 2.958 1.00 0.00 C ATOM 1716 C ILE A 106 8.327 -0.262 2.055 1.00 0.00 C ATOM 1717 O ILE A 106 7.790 0.733 2.547 1.00 0.00 O ATOM 1718 CB ILE A 106 7.771 -2.380 3.272 1.00 0.00 C ATOM 1719 CG1 ILE A 106 8.255 -3.406 4.300 1.00 0.00 C ATOM 1720 CG2 ILE A 106 7.309 -3.084 2.002 1.00 0.00 C ATOM 1721 CD1 ILE A 106 7.186 -4.400 4.703 1.00 0.00 C ATOM 0 H ILE A 106 8.670 -0.521 4.860 1.00 0.00 H new ATOM 0 HA ILE A 106 9.701 -1.883 2.465 1.00 0.00 H new ATOM 0 HB ILE A 106 6.924 -1.838 3.694 1.00 0.00 H new ATOM 0 HG12 ILE A 106 9.108 -3.947 3.890 1.00 0.00 H new ATOM 0 HG13 ILE A 106 8.607 -2.882 5.188 1.00 0.00 H new ATOM 0 HG21 ILE A 106 6.525 -3.801 2.248 1.00 0.00 H new ATOM 0 HG22 ILE A 106 6.920 -2.348 1.299 1.00 0.00 H new ATOM 0 HG23 ILE A 106 8.151 -3.608 1.550 1.00 0.00 H new ATOM 0 HD11 ILE A 106 7.595 -5.098 5.433 1.00 0.00 H new ATOM 0 HD12 ILE A 106 6.342 -3.868 5.142 1.00 0.00 H new ATOM 0 HD13 ILE A 106 6.850 -4.950 3.824 1.00 0.00 H new ATOM 1733 N ILE A 107 8.429 -0.444 0.752 1.00 0.00 N ATOM 1734 CA ILE A 107 7.932 0.542 -0.189 1.00 0.00 C ATOM 1735 C ILE A 107 6.704 -0.003 -0.902 1.00 0.00 C ATOM 1736 O ILE A 107 6.779 -1.003 -1.617 1.00 0.00 O ATOM 1737 CB ILE A 107 9.002 0.945 -1.227 1.00 0.00 C ATOM 1738 CG1 ILE A 107 10.184 1.622 -0.528 1.00 0.00 C ATOM 1739 CG2 ILE A 107 8.406 1.866 -2.287 1.00 0.00 C ATOM 1740 CD1 ILE A 107 11.252 2.125 -1.475 1.00 0.00 C ATOM 0 H ILE A 107 8.852 -1.266 0.321 1.00 0.00 H new ATOM 0 HA ILE A 107 7.670 1.436 0.377 1.00 0.00 H new ATOM 0 HB ILE A 107 9.360 0.044 -1.725 1.00 0.00 H new ATOM 0 HG12 ILE A 107 9.813 2.459 0.063 1.00 0.00 H new ATOM 0 HG13 ILE A 107 10.634 0.915 0.169 1.00 0.00 H new ATOM 0 HG21 ILE A 107 9.177 2.138 -3.008 1.00 0.00 H new ATOM 0 HG22 ILE A 107 7.594 1.352 -2.801 1.00 0.00 H new ATOM 0 HG23 ILE A 107 8.021 2.768 -1.811 1.00 0.00 H new ATOM 0 HD11 ILE A 107 12.055 2.591 -0.904 1.00 0.00 H new ATOM 0 HD12 ILE A 107 11.653 1.289 -2.048 1.00 0.00 H new ATOM 0 HD13 ILE A 107 10.819 2.857 -2.156 1.00 0.00 H new ATOM 1752 N CYS A 108 5.574 0.639 -0.676 1.00 0.00 N ATOM 1753 CA CYS A 108 4.337 0.247 -1.317 1.00 0.00 C ATOM 1754 C CYS A 108 4.158 0.976 -2.633 1.00 0.00 C ATOM 1755 O CYS A 108 3.831 2.165 -2.659 1.00 0.00 O ATOM 1756 CB CYS A 108 3.136 0.520 -0.412 1.00 0.00 C ATOM 1757 SG CYS A 108 2.945 -0.664 0.939 1.00 0.00 S ATOM 0 H CYS A 108 5.489 1.439 -0.049 1.00 0.00 H new ATOM 0 HA CYS A 108 4.394 -0.825 -1.509 1.00 0.00 H new ATOM 0 HB2 CYS A 108 3.231 1.521 0.008 1.00 0.00 H new ATOM 0 HB3 CYS A 108 2.230 0.513 -1.017 1.00 0.00 H new ATOM 0 HG CYS A 108 4.116 -0.980 1.408 1.00 0.00 H new ATOM 1763 N THR A 109 4.417 0.273 -3.721 1.00 0.00 N ATOM 1764 CA THR A 109 4.059 0.767 -5.032 1.00 0.00 C ATOM 1765 C THR A 109 2.652 0.281 -5.351 1.00 0.00 C ATOM 1766 O THR A 109 2.431 -0.908 -5.577 1.00 0.00 O ATOM 1767 CB THR A 109 5.053 0.278 -6.102 1.00 0.00 C ATOM 1768 OG1 THR A 109 6.388 0.643 -5.719 1.00 0.00 O ATOM 1769 CG2 THR A 109 4.730 0.871 -7.468 1.00 0.00 C ATOM 0 H THR A 109 4.873 -0.639 -3.720 1.00 0.00 H new ATOM 0 HA THR A 109 4.094 1.856 -5.035 1.00 0.00 H new ATOM 0 HB THR A 109 4.971 -0.806 -6.175 1.00 0.00 H new ATOM 0 HG1 THR A 109 7.021 0.330 -6.399 1.00 0.00 H new ATOM 0 HG21 THR A 109 5.449 0.507 -8.202 1.00 0.00 H new ATOM 0 HG22 THR A 109 3.725 0.572 -7.766 1.00 0.00 H new ATOM 0 HG23 THR A 109 4.785 1.958 -7.415 1.00 0.00 H new ATOM 1777 N ASN A 110 1.703 1.200 -5.363 1.00 0.00 N ATOM 1778 CA ASN A 110 0.304 0.823 -5.423 1.00 0.00 C ATOM 1779 C ASN A 110 -0.310 1.240 -6.740 1.00 0.00 C ATOM 1780 O ASN A 110 -0.512 2.424 -6.997 1.00 0.00 O ATOM 1781 CB ASN A 110 -0.474 1.435 -4.256 1.00 0.00 C ATOM 1782 CG ASN A 110 -0.318 0.648 -2.968 1.00 0.00 C ATOM 1783 OD1 ASN A 110 0.701 0.001 -2.732 1.00 0.00 O ATOM 1784 ND2 ASN A 110 -1.336 0.688 -2.125 1.00 0.00 N ATOM 0 H ASN A 110 1.874 2.205 -5.332 1.00 0.00 H new ATOM 0 HA ASN A 110 0.246 -0.263 -5.345 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -0.133 2.458 -4.095 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -1.531 1.488 -4.518 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -1.291 0.172 -1.246 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -2.166 1.235 -2.353 1.00 0.00 H new ATOM 1791 N THR A 111 -0.625 0.249 -7.556 1.00 0.00 N ATOM 1792 CA THR A 111 -1.178 0.476 -8.868 1.00 0.00 C ATOM 1793 C THR A 111 -2.608 -0.030 -8.894 1.00 0.00 C ATOM 1794 O THR A 111 -2.861 -1.225 -8.731 1.00 0.00 O ATOM 1795 CB THR A 111 -0.357 -0.260 -9.950 1.00 0.00 C ATOM 1796 OG1 THR A 111 1.048 -0.081 -9.715 1.00 0.00 O ATOM 1797 CG2 THR A 111 -0.712 0.245 -11.341 1.00 0.00 C ATOM 0 H THR A 111 -0.502 -0.736 -7.321 1.00 0.00 H new ATOM 0 HA THR A 111 -1.148 1.545 -9.081 1.00 0.00 H new ATOM 0 HB THR A 111 -0.600 -1.321 -9.893 1.00 0.00 H new ATOM 0 HG1 THR A 111 1.401 0.588 -10.338 1.00 0.00 H new ATOM 0 HG21 THR A 111 -0.120 -0.289 -12.084 1.00 0.00 H new ATOM 0 HG22 THR A 111 -1.772 0.075 -11.530 1.00 0.00 H new ATOM 0 HG23 THR A 111 -0.499 1.312 -11.406 1.00 0.00 H new ATOM 1805 N ASN A 112 -3.539 0.877 -9.079 1.00 0.00 N ATOM 1806 CA ASN A 112 -4.942 0.523 -9.080 1.00 0.00 C ATOM 1807 C ASN A 112 -5.352 0.063 -10.470 1.00 0.00 C ATOM 1808 O ASN A 112 -5.131 0.763 -11.458 1.00 0.00 O ATOM 1809 CB ASN A 112 -5.777 1.715 -8.628 1.00 0.00 C ATOM 1810 CG ASN A 112 -7.259 1.545 -8.922 1.00 0.00 C ATOM 1811 OD1 ASN A 112 -7.767 2.025 -9.936 1.00 0.00 O ATOM 1812 ND2 ASN A 112 -7.959 0.839 -8.052 1.00 0.00 N ATOM 0 H ASN A 112 -3.351 1.868 -9.231 1.00 0.00 H new ATOM 0 HA ASN A 112 -5.114 -0.296 -8.382 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -5.639 1.864 -7.557 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -5.414 2.615 -9.124 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -8.954 0.676 -8.210 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -7.505 0.456 -7.223 1.00 0.00 H new ATOM 1819 N VAL A 113 -5.930 -1.125 -10.539 1.00 0.00 N ATOM 1820 CA VAL A 113 -6.290 -1.720 -11.809 1.00 0.00 C ATOM 1821 C VAL A 113 -7.784 -1.562 -12.061 1.00 0.00 C ATOM 1822 O VAL A 113 -8.227 -0.568 -12.633 1.00 0.00 O ATOM 1823 CB VAL A 113 -5.924 -3.222 -11.857 1.00 0.00 C ATOM 1824 CG1 VAL A 113 -6.015 -3.757 -13.279 1.00 0.00 C ATOM 1825 CG2 VAL A 113 -4.539 -3.473 -11.272 1.00 0.00 C ATOM 0 H VAL A 113 -6.159 -1.696 -9.725 1.00 0.00 H new ATOM 0 HA VAL A 113 -5.726 -1.200 -12.584 1.00 0.00 H new ATOM 0 HB VAL A 113 -6.647 -3.759 -11.243 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -5.753 -4.815 -13.287 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -7.032 -3.632 -13.650 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -5.325 -3.208 -13.919 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -4.311 -4.538 -11.320 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -3.796 -2.917 -11.844 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -4.518 -3.144 -10.233 1.00 0.00 H new