USER MOD reduce.3.24.130724 H: found=0, std=0, add=813, rem=0, adj=24 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 14 SER OG : rot 6:sc= 1.56 USER MOD Set 1.2: A 16 HIS :FLIP+bothHN:sc= -3.89 F(o=-1.2!,f=0.49) USER MOD Set 1.3: A 90 THR OG1 : rot -116:sc= 0.537 USER MOD Set 1.4: A 108 CYS SG : rot 80:sc= 1.08 USER MOD Set 1.5: A 110 ASN : amide:sc= 1.2 K(o=0.49,f=-1.9) USER MOD Set 2.1: A 35 TYR OH : rot -93:sc= 2.65 USER MOD Set 2.2: A 83 GLN : amide:sc= 0.642 K(o=3.3,f=1) USER MOD Set 3.1: A 80 SER OG : rot 43:sc= 1.87 USER MOD Set 3.2: A 82 ASN : amide:sc= 0.895 K(o=2.8,f=0.88) USER MOD Set 4.1: A 73 SER OG : rot -81:sc= 1.2 USER MOD Set 4.2: A 91 SER OG : rot 180:sc= 1.06 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -0.178 K(o=-0.18,f=-5.4!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HD1:sc= -0.146 X(o=-0.15,f=-0.16) USER MOD Single : A 29 CYS SG : rot -80:sc= -0.401 USER MOD Single : A 32 THR OG1 : rot 82:sc= 1.13 USER MOD Single : A 36 GLN :FLIP amide:sc= -0.886 F(o=-1.6,f=-0.89) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -1.53! C(o=-1.5!,f=-13!) USER MOD Single : A 49 CYS SG : rot 3:sc= -2.11 USER MOD Single : A 50 HIS : no HD1:sc= -7.01! C(o=-7!,f=-8!) USER MOD Single : A 54 GLN : amide:sc= -0.261 K(o=-0.26,f=-1.3) USER MOD Single : A 55 GLN : amide:sc= -0.1 K(o=-0.1,f=-0.73) USER MOD Single : A 60 SER OG : rot -78:sc= 0.809 USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 GLN : amide:sc= 0.583 K(o=0.58,f=-0.66) 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= -0.0185 X(o=-0.019,f=-0.025) USER MOD Single : A 75 MET CE :methyl -111:sc= -0.031 (180deg=-2.33!) USER MOD Single : A 81 LYS NZ :NH3+ 168:sc=-0.00708 (180deg=-0.155) USER MOD Single : A 88 MET CE :methyl -115:sc= -0.453 (180deg=-1.74) USER MOD Single : A 92 SER OG : rot 120:sc= -3.07! USER MOD Single : A 94 THR OG1 : rot -128:sc= -1.46! USER MOD Single : A 96 GLN : amide:sc= -2.12! C(o=-2.1!,f=-2.3!) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 THR OG1 : rot -78:sc= 1.18 USER MOD Single : A 112 ASN :FLIP amide:sc= -0.0564 F(o=-1.1,f=-0.056) USER MOD ----------------------------------------------------------------- ATOM 107 N PRO A 9 -2.494 11.065 -10.297 1.00 0.00 N ATOM 108 CA PRO A 9 -2.567 9.710 -10.863 1.00 0.00 C ATOM 109 C PRO A 9 -3.107 8.699 -9.847 1.00 0.00 C ATOM 110 O PRO A 9 -3.016 8.920 -8.637 1.00 0.00 O ATOM 111 CB PRO A 9 -1.111 9.376 -11.202 1.00 0.00 C ATOM 112 CG PRO A 9 -0.417 10.690 -11.301 1.00 0.00 C ATOM 113 CD PRO A 9 -1.135 11.622 -10.365 1.00 0.00 C ATOM 0 HA PRO A 9 -3.238 9.665 -11.720 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -0.661 8.751 -10.430 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -1.042 8.824 -12.139 1.00 0.00 H new ATOM 0 HG2 PRO A 9 0.633 10.596 -11.025 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -0.446 11.068 -12.323 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -0.662 11.647 -9.383 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -1.139 12.645 -10.743 1.00 0.00 H new ATOM 121 N THR A 10 -3.648 7.587 -10.336 1.00 0.00 N ATOM 122 CA THR A 10 -4.213 6.563 -9.466 1.00 0.00 C ATOM 123 C THR A 10 -3.155 5.543 -9.056 1.00 0.00 C ATOM 124 O THR A 10 -3.439 4.358 -8.888 1.00 0.00 O ATOM 125 CB THR A 10 -5.389 5.840 -10.145 1.00 0.00 C ATOM 126 OG1 THR A 10 -4.999 5.373 -11.446 1.00 0.00 O ATOM 127 CG2 THR A 10 -6.591 6.763 -10.268 1.00 0.00 C ATOM 0 H THR A 10 -3.707 7.373 -11.332 1.00 0.00 H new ATOM 0 HA THR A 10 -4.580 7.069 -8.573 1.00 0.00 H new ATOM 0 HB THR A 10 -5.667 4.987 -9.526 1.00 0.00 H new ATOM 0 HG1 THR A 10 -5.754 4.913 -11.868 1.00 0.00 H new ATOM 0 HG21 THR A 10 -7.411 6.231 -10.751 1.00 0.00 H new ATOM 0 HG22 THR A 10 -6.904 7.087 -9.275 1.00 0.00 H new ATOM 0 HG23 THR A 10 -6.322 7.634 -10.866 1.00 0.00 H new ATOM 135 N GLU A 11 -1.927 6.009 -8.945 1.00 0.00 N ATOM 136 CA GLU A 11 -0.842 5.194 -8.437 1.00 0.00 C ATOM 137 C GLU A 11 0.037 6.046 -7.543 1.00 0.00 C ATOM 138 O GLU A 11 0.387 7.166 -7.907 1.00 0.00 O ATOM 139 CB GLU A 11 -0.022 4.633 -9.601 1.00 0.00 C ATOM 140 CG GLU A 11 1.173 3.801 -9.175 1.00 0.00 C ATOM 141 CD GLU A 11 2.029 3.399 -10.347 1.00 0.00 C ATOM 142 OE1 GLU A 11 2.918 4.185 -10.733 1.00 0.00 O ATOM 143 OE2 GLU A 11 1.807 2.304 -10.905 1.00 0.00 O ATOM 0 H GLU A 11 -1.654 6.957 -9.203 1.00 0.00 H new ATOM 0 HA GLU A 11 -1.246 4.360 -7.863 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -0.672 4.022 -10.227 1.00 0.00 H new ATOM 0 HB3 GLU A 11 0.327 5.461 -10.217 1.00 0.00 H new ATOM 0 HG2 GLU A 11 1.775 4.368 -8.465 1.00 0.00 H new ATOM 0 HG3 GLU A 11 0.826 2.907 -8.657 1.00 0.00 H new ATOM 150 N PHE A 12 0.402 5.524 -6.384 1.00 0.00 N ATOM 151 CA PHE A 12 1.225 6.283 -5.456 1.00 0.00 C ATOM 152 C PHE A 12 2.282 5.403 -4.810 1.00 0.00 C ATOM 153 O PHE A 12 2.038 4.235 -4.493 1.00 0.00 O ATOM 154 CB PHE A 12 0.365 6.973 -4.381 1.00 0.00 C ATOM 155 CG PHE A 12 -0.413 6.046 -3.484 1.00 0.00 C ATOM 156 CD1 PHE A 12 -1.589 5.451 -3.916 1.00 0.00 C ATOM 157 CD2 PHE A 12 0.028 5.788 -2.196 1.00 0.00 C ATOM 158 CE1 PHE A 12 -2.307 4.616 -3.084 1.00 0.00 C ATOM 159 CE2 PHE A 12 -0.688 4.955 -1.357 1.00 0.00 C ATOM 160 CZ PHE A 12 -1.856 4.366 -1.802 1.00 0.00 C ATOM 0 H PHE A 12 0.146 4.590 -6.065 1.00 0.00 H new ATOM 0 HA PHE A 12 1.733 7.057 -6.031 1.00 0.00 H new ATOM 0 HB2 PHE A 12 1.015 7.591 -3.761 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -0.336 7.645 -4.876 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -1.948 5.644 -4.916 1.00 0.00 H new ATOM 0 HD2 PHE A 12 0.942 6.243 -1.844 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -3.220 4.159 -3.435 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -0.335 4.765 -0.354 1.00 0.00 H new ATOM 0 HZ PHE A 12 -2.415 3.712 -1.149 1.00 0.00 H new ATOM 170 N ILE A 13 3.464 5.973 -4.634 1.00 0.00 N ATOM 171 CA ILE A 13 4.560 5.284 -3.983 1.00 0.00 C ATOM 172 C ILE A 13 4.556 5.627 -2.500 1.00 0.00 C ATOM 173 O ILE A 13 4.314 6.775 -2.123 1.00 0.00 O ATOM 174 CB ILE A 13 5.921 5.672 -4.604 1.00 0.00 C ATOM 175 CG1 ILE A 13 5.901 5.423 -6.115 1.00 0.00 C ATOM 176 CG2 ILE A 13 7.051 4.889 -3.949 1.00 0.00 C ATOM 177 CD1 ILE A 13 7.166 5.864 -6.824 1.00 0.00 C ATOM 0 H ILE A 13 3.687 6.921 -4.938 1.00 0.00 H new ATOM 0 HA ILE A 13 4.423 4.212 -4.122 1.00 0.00 H new ATOM 0 HB ILE A 13 6.094 6.733 -4.427 1.00 0.00 H new ATOM 0 HG12 ILE A 13 5.746 4.360 -6.297 1.00 0.00 H new ATOM 0 HG13 ILE A 13 5.050 5.948 -6.549 1.00 0.00 H new ATOM 0 HG21 ILE A 13 8.001 5.176 -4.399 1.00 0.00 H new ATOM 0 HG22 ILE A 13 7.075 5.108 -2.882 1.00 0.00 H new ATOM 0 HG23 ILE A 13 6.887 3.822 -4.096 1.00 0.00 H new ATOM 0 HD11 ILE A 13 7.077 5.656 -7.890 1.00 0.00 H new ATOM 0 HD12 ILE A 13 7.313 6.934 -6.674 1.00 0.00 H new ATOM 0 HD13 ILE A 13 8.019 5.320 -6.418 1.00 0.00 H new ATOM 189 N SER A 14 4.790 4.635 -1.665 1.00 0.00 N ATOM 190 CA SER A 14 4.748 4.834 -0.230 1.00 0.00 C ATOM 191 C SER A 14 5.806 4.003 0.487 1.00 0.00 C ATOM 192 O SER A 14 6.161 2.913 0.050 1.00 0.00 O ATOM 193 CB SER A 14 3.350 4.499 0.293 1.00 0.00 C ATOM 194 OG SER A 14 2.847 3.326 -0.332 1.00 0.00 O ATOM 0 H SER A 14 5.011 3.683 -1.955 1.00 0.00 H new ATOM 0 HA SER A 14 4.970 5.881 -0.023 1.00 0.00 H new ATOM 0 HB2 SER A 14 3.385 4.355 1.373 1.00 0.00 H new ATOM 0 HB3 SER A 14 2.676 5.335 0.105 1.00 0.00 H new ATOM 0 HG SER A 14 3.544 2.932 -0.897 1.00 0.00 H new ATOM 200 N ARG A 15 6.302 4.538 1.587 1.00 0.00 N ATOM 201 CA ARG A 15 7.251 3.845 2.437 1.00 0.00 C ATOM 202 C ARG A 15 6.557 3.492 3.742 1.00 0.00 C ATOM 203 O ARG A 15 6.043 4.374 4.436 1.00 0.00 O ATOM 204 CB ARG A 15 8.468 4.736 2.705 1.00 0.00 C ATOM 205 CG ARG A 15 9.393 4.878 1.509 1.00 0.00 C ATOM 206 CD ARG A 15 10.066 6.242 1.465 1.00 0.00 C ATOM 207 NE ARG A 15 10.550 6.682 2.778 1.00 0.00 N ATOM 208 CZ ARG A 15 11.676 7.373 2.962 1.00 0.00 C ATOM 209 NH1 ARG A 15 12.498 7.604 1.947 1.00 0.00 N ATOM 210 NH2 ARG A 15 11.984 7.821 4.168 1.00 0.00 N ATOM 0 H ARG A 15 6.056 5.471 1.918 1.00 0.00 H new ATOM 0 HA ARG A 15 7.599 2.936 1.945 1.00 0.00 H new ATOM 0 HB2 ARG A 15 8.124 5.725 3.007 1.00 0.00 H new ATOM 0 HB3 ARG A 15 9.031 4.325 3.543 1.00 0.00 H new ATOM 0 HG2 ARG A 15 10.155 4.099 1.546 1.00 0.00 H new ATOM 0 HG3 ARG A 15 8.825 4.725 0.592 1.00 0.00 H new ATOM 0 HD2 ARG A 15 10.903 6.206 0.768 1.00 0.00 H new ATOM 0 HD3 ARG A 15 9.361 6.977 1.078 1.00 0.00 H new ATOM 0 HE ARG A 15 9.993 6.446 3.599 1.00 0.00 H new ATOM 0 HH11 ARG A 15 12.271 7.252 1.017 1.00 0.00 H new ATOM 0 HH12 ARG A 15 13.357 8.133 2.097 1.00 0.00 H new ATOM 0 HH21 ARG A 15 11.361 7.638 4.955 1.00 0.00 H new ATOM 0 HH22 ARG A 15 12.844 8.350 4.311 1.00 0.00 H new ATOM 224 N HIS A 16 6.505 2.212 4.072 1.00 0.00 N ATOM 225 CA HIS A 16 5.731 1.789 5.227 1.00 0.00 C ATOM 226 C HIS A 16 6.469 0.775 6.086 1.00 0.00 C ATOM 227 O HIS A 16 7.380 0.079 5.627 1.00 0.00 O ATOM 228 CB HIS A 16 4.351 1.238 4.810 1.00 0.00 C ATOM 229 CG HIS A 16 4.355 -0.044 4.030 1.00 0.00 C ATOM 230 ND1 HIS A 16 5.290 -0.611 3.235 1.00 0.00 N flip ATOM 231 CD2 HIS A 16 3.269 -0.894 4.001 1.00 0.00 C flip ATOM 232 CE1 HIS A 16 4.757 -1.778 2.744 1.00 0.00 C flip ATOM 233 NE2 HIS A 16 3.537 -1.926 3.224 1.00 0.00 N flip ATOM 0 H HIS A 16 6.979 1.462 3.569 1.00 0.00 H new ATOM 0 HA HIS A 16 5.580 2.681 5.835 1.00 0.00 H new ATOM 0 HB2 HIS A 16 3.756 1.088 5.711 1.00 0.00 H new ATOM 0 HB3 HIS A 16 3.844 1.998 4.216 1.00 0.00 H new ATOM 0 HD1 HIS A 16 6.219 -0.241 3.036 1.00 0.00 H new ATOM 0 HD2 HIS A 16 2.342 -0.739 4.533 1.00 0.00 H new ATOM 0 HE1 HIS A 16 5.256 -2.463 2.074 1.00 0.00 H new ATOM 0 HE2 HIS A 16 2.908 -2.705 3.028 1.00 0.00 H new ATOM 242 N ASN A 17 6.037 0.718 7.334 1.00 0.00 N ATOM 243 CA ASN A 17 6.543 -0.218 8.322 1.00 0.00 C ATOM 244 C ASN A 17 6.111 -1.632 7.960 1.00 0.00 C ATOM 245 O ASN A 17 5.034 -1.824 7.392 1.00 0.00 O ATOM 246 CB ASN A 17 6.000 0.184 9.700 1.00 0.00 C ATOM 247 CG ASN A 17 5.900 -0.973 10.672 1.00 0.00 C ATOM 248 OD1 ASN A 17 4.891 -1.671 10.717 1.00 0.00 O ATOM 249 ND2 ASN A 17 6.937 -1.184 11.454 1.00 0.00 N ATOM 0 H ASN A 17 5.309 1.334 7.696 1.00 0.00 H new ATOM 0 HA ASN A 17 7.632 -0.193 8.345 1.00 0.00 H new ATOM 0 HB2 ASN A 17 6.646 0.951 10.126 1.00 0.00 H new ATOM 0 HB3 ASN A 17 5.013 0.631 9.577 1.00 0.00 H new ATOM 0 HD21 ASN A 17 6.920 -1.950 12.128 1.00 0.00 H new ATOM 0 HD22 ASN A 17 7.758 -0.582 11.387 1.00 0.00 H new ATOM 256 N ILE A 18 6.965 -2.600 8.314 1.00 0.00 N ATOM 257 CA ILE A 18 6.844 -4.003 7.891 1.00 0.00 C ATOM 258 C ILE A 18 5.452 -4.595 8.091 1.00 0.00 C ATOM 259 O ILE A 18 5.048 -5.489 7.350 1.00 0.00 O ATOM 260 CB ILE A 18 7.857 -4.898 8.637 1.00 0.00 C ATOM 261 CG1 ILE A 18 7.660 -4.791 10.155 1.00 0.00 C ATOM 262 CG2 ILE A 18 9.277 -4.521 8.254 1.00 0.00 C ATOM 263 CD1 ILE A 18 8.565 -5.704 10.955 1.00 0.00 C ATOM 0 H ILE A 18 7.773 -2.429 8.912 1.00 0.00 H new ATOM 0 HA ILE A 18 7.050 -3.987 6.821 1.00 0.00 H new ATOM 0 HB ILE A 18 7.683 -5.933 8.344 1.00 0.00 H new ATOM 0 HG12 ILE A 18 7.836 -3.760 10.463 1.00 0.00 H new ATOM 0 HG13 ILE A 18 6.622 -5.023 10.394 1.00 0.00 H new ATOM 0 HG21 ILE A 18 9.980 -5.161 8.788 1.00 0.00 H new ATOM 0 HG22 ILE A 18 9.411 -4.652 7.180 1.00 0.00 H new ATOM 0 HG23 ILE A 18 9.461 -3.480 8.519 1.00 0.00 H new ATOM 0 HD11 ILE A 18 8.367 -5.572 12.019 1.00 0.00 H new ATOM 0 HD12 ILE A 18 8.374 -6.740 10.677 1.00 0.00 H new ATOM 0 HD13 ILE A 18 9.606 -5.458 10.746 1.00 0.00 H new ATOM 275 N GLU A 19 4.734 -4.110 9.087 1.00 0.00 N ATOM 276 CA GLU A 19 3.409 -4.622 9.397 1.00 0.00 C ATOM 277 C GLU A 19 2.349 -4.005 8.497 1.00 0.00 C ATOM 278 O GLU A 19 1.189 -4.412 8.523 1.00 0.00 O ATOM 279 CB GLU A 19 3.094 -4.352 10.863 1.00 0.00 C ATOM 280 CG GLU A 19 3.892 -5.232 11.805 1.00 0.00 C ATOM 281 CD GLU A 19 3.279 -6.609 11.944 1.00 0.00 C ATOM 282 OE1 GLU A 19 3.450 -7.439 11.025 1.00 0.00 O ATOM 283 OE2 GLU A 19 2.615 -6.865 12.971 1.00 0.00 O ATOM 0 H GLU A 19 5.048 -3.357 9.700 1.00 0.00 H new ATOM 0 HA GLU A 19 3.400 -5.697 9.216 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.300 -3.306 11.088 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.030 -4.512 11.037 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.914 -5.325 11.437 1.00 0.00 H new ATOM 0 HG3 GLU A 19 3.948 -4.758 12.785 1.00 0.00 H new ATOM 290 N GLY A 20 2.760 -3.038 7.689 1.00 0.00 N ATOM 291 CA GLY A 20 1.845 -2.388 6.782 1.00 0.00 C ATOM 292 C GLY A 20 1.504 -0.976 7.208 1.00 0.00 C ATOM 293 O GLY A 20 0.613 -0.353 6.630 1.00 0.00 O ATOM 0 H GLY A 20 3.719 -2.692 7.648 1.00 0.00 H new ATOM 0 HA2 GLY A 20 2.283 -2.366 5.784 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.929 -2.974 6.715 1.00 0.00 H new ATOM 297 N ILE A 21 2.228 -0.451 8.190 1.00 0.00 N ATOM 298 CA ILE A 21 1.906 0.863 8.753 1.00 0.00 C ATOM 299 C ILE A 21 2.460 1.974 7.872 1.00 0.00 C ATOM 300 O ILE A 21 3.657 2.020 7.620 1.00 0.00 O ATOM 301 CB ILE A 21 2.479 1.036 10.182 1.00 0.00 C ATOM 302 CG1 ILE A 21 2.011 -0.092 11.106 1.00 0.00 C ATOM 303 CG2 ILE A 21 2.085 2.389 10.760 1.00 0.00 C ATOM 304 CD1 ILE A 21 0.506 -0.212 11.213 1.00 0.00 C ATOM 0 H ILE A 21 3.036 -0.908 8.613 1.00 0.00 H new ATOM 0 HA ILE A 21 0.819 0.926 8.799 1.00 0.00 H new ATOM 0 HB ILE A 21 3.566 0.989 10.112 1.00 0.00 H new ATOM 0 HG12 ILE A 21 2.416 -1.037 10.744 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.424 0.072 12.101 1.00 0.00 H new ATOM 0 HG21 ILE A 21 2.498 2.490 11.764 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.477 3.184 10.125 1.00 0.00 H new ATOM 0 HG23 ILE A 21 0.998 2.463 10.805 1.00 0.00 H new ATOM 0 HD11 ILE A 21 0.253 -1.033 11.885 1.00 0.00 H new ATOM 0 HD12 ILE A 21 0.094 0.718 11.605 1.00 0.00 H new ATOM 0 HD13 ILE A 21 0.086 -0.408 10.227 1.00 0.00 H new ATOM 316 N PHE A 22 1.598 2.872 7.410 1.00 0.00 N ATOM 317 CA PHE A 22 2.039 3.951 6.535 1.00 0.00 C ATOM 318 C PHE A 22 2.796 5.019 7.307 1.00 0.00 C ATOM 319 O PHE A 22 2.256 5.653 8.214 1.00 0.00 O ATOM 320 CB PHE A 22 0.860 4.570 5.792 1.00 0.00 C ATOM 321 CG PHE A 22 0.367 3.714 4.664 1.00 0.00 C ATOM 322 CD1 PHE A 22 0.897 3.855 3.392 1.00 0.00 C ATOM 323 CD2 PHE A 22 -0.612 2.764 4.879 1.00 0.00 C ATOM 324 CE1 PHE A 22 0.455 3.058 2.352 1.00 0.00 C ATOM 325 CE2 PHE A 22 -1.061 1.969 3.848 1.00 0.00 C ATOM 326 CZ PHE A 22 -0.527 2.112 2.582 1.00 0.00 C ATOM 0 H PHE A 22 0.601 2.875 7.624 1.00 0.00 H new ATOM 0 HA PHE A 22 2.720 3.517 5.803 1.00 0.00 H new ATOM 0 HB2 PHE A 22 0.044 4.742 6.494 1.00 0.00 H new ATOM 0 HB3 PHE A 22 1.154 5.544 5.401 1.00 0.00 H new ATOM 0 HD1 PHE A 22 1.663 4.595 3.211 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -1.030 2.643 5.867 1.00 0.00 H new ATOM 0 HE1 PHE A 22 0.875 3.174 1.364 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -1.831 1.234 4.029 1.00 0.00 H new ATOM 0 HZ PHE A 22 -0.876 1.486 1.774 1.00 0.00 H new ATOM 336 N THR A 23 4.052 5.192 6.935 1.00 0.00 N ATOM 337 CA THR A 23 4.916 6.187 7.540 1.00 0.00 C ATOM 338 C THR A 23 5.158 7.340 6.561 1.00 0.00 C ATOM 339 O THR A 23 5.324 8.491 6.960 1.00 0.00 O ATOM 340 CB THR A 23 6.259 5.550 7.948 1.00 0.00 C ATOM 341 OG1 THR A 23 6.015 4.378 8.740 1.00 0.00 O ATOM 342 CG2 THR A 23 7.115 6.524 8.737 1.00 0.00 C ATOM 0 H THR A 23 4.502 4.644 6.202 1.00 0.00 H new ATOM 0 HA THR A 23 4.427 6.578 8.432 1.00 0.00 H new ATOM 0 HB THR A 23 6.797 5.281 7.039 1.00 0.00 H new ATOM 0 HG1 THR A 23 6.870 3.973 8.997 1.00 0.00 H new ATOM 0 HG21 THR A 23 8.055 6.044 9.010 1.00 0.00 H new ATOM 0 HG22 THR A 23 7.320 7.404 8.128 1.00 0.00 H new ATOM 0 HG23 THR A 23 6.585 6.824 9.641 1.00 0.00 H new ATOM 350 N PHE A 24 5.164 7.016 5.270 1.00 0.00 N ATOM 351 CA PHE A 24 5.298 8.020 4.220 1.00 0.00 C ATOM 352 C PHE A 24 4.482 7.612 2.996 1.00 0.00 C ATOM 353 O PHE A 24 4.636 6.508 2.487 1.00 0.00 O ATOM 354 CB PHE A 24 6.775 8.192 3.838 1.00 0.00 C ATOM 355 CG PHE A 24 7.006 9.196 2.741 1.00 0.00 C ATOM 356 CD1 PHE A 24 7.030 10.553 3.020 1.00 0.00 C ATOM 357 CD2 PHE A 24 7.196 8.782 1.431 1.00 0.00 C ATOM 358 CE1 PHE A 24 7.241 11.478 2.015 1.00 0.00 C ATOM 359 CE2 PHE A 24 7.406 9.701 0.423 1.00 0.00 C ATOM 360 CZ PHE A 24 7.429 11.051 0.714 1.00 0.00 C ATOM 0 H PHE A 24 5.077 6.060 4.926 1.00 0.00 H new ATOM 0 HA PHE A 24 4.919 8.971 4.593 1.00 0.00 H new ATOM 0 HB2 PHE A 24 7.336 8.498 4.721 1.00 0.00 H new ATOM 0 HB3 PHE A 24 7.174 7.227 3.525 1.00 0.00 H new ATOM 0 HD1 PHE A 24 6.882 10.892 4.035 1.00 0.00 H new ATOM 0 HD2 PHE A 24 7.179 7.728 1.197 1.00 0.00 H new ATOM 0 HE1 PHE A 24 7.259 12.533 2.246 1.00 0.00 H new ATOM 0 HE2 PHE A 24 7.552 9.365 -0.593 1.00 0.00 H new ATOM 0 HZ PHE A 24 7.594 11.772 -0.074 1.00 0.00 H new ATOM 370 N VAL A 25 3.606 8.494 2.537 1.00 0.00 N ATOM 371 CA VAL A 25 2.780 8.219 1.364 1.00 0.00 C ATOM 372 C VAL A 25 2.700 9.443 0.453 1.00 0.00 C ATOM 373 O VAL A 25 2.561 10.573 0.926 1.00 0.00 O ATOM 374 CB VAL A 25 1.359 7.749 1.766 1.00 0.00 C ATOM 375 CG1 VAL A 25 0.958 8.341 3.094 1.00 0.00 C ATOM 376 CG2 VAL A 25 0.330 8.096 0.698 1.00 0.00 C ATOM 0 H VAL A 25 3.447 9.409 2.958 1.00 0.00 H new ATOM 0 HA VAL A 25 3.257 7.408 0.813 1.00 0.00 H new ATOM 0 HB VAL A 25 1.388 6.663 1.860 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.043 7.999 3.358 1.00 0.00 H new ATOM 0 HG12 VAL A 25 1.664 8.024 3.862 1.00 0.00 H new ATOM 0 HG13 VAL A 25 0.962 9.429 3.024 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.654 7.751 1.015 1.00 0.00 H new ATOM 0 HG22 VAL A 25 0.306 9.176 0.553 1.00 0.00 H new ATOM 0 HG23 VAL A 25 0.600 7.610 -0.239 1.00 0.00 H new ATOM 386 N ASP A 26 2.806 9.205 -0.853 1.00 0.00 N ATOM 387 CA ASP A 26 2.744 10.266 -1.853 1.00 0.00 C ATOM 388 C ASP A 26 1.320 10.800 -2.010 1.00 0.00 C ATOM 389 O ASP A 26 0.339 10.078 -1.828 1.00 0.00 O ATOM 390 CB ASP A 26 3.250 9.745 -3.205 1.00 0.00 C ATOM 391 CG ASP A 26 3.398 10.850 -4.234 1.00 0.00 C ATOM 392 OD1 ASP A 26 2.382 11.273 -4.818 1.00 0.00 O ATOM 393 OD2 ASP A 26 4.537 11.310 -4.455 1.00 0.00 O ATOM 0 H ASP A 26 2.937 8.273 -1.246 1.00 0.00 H new ATOM 0 HA ASP A 26 3.381 11.083 -1.513 1.00 0.00 H new ATOM 0 HB2 ASP A 26 4.212 9.253 -3.064 1.00 0.00 H new ATOM 0 HB3 ASP A 26 2.559 8.992 -3.582 1.00 0.00 H new ATOM 398 N HIS A 27 1.248 12.086 -2.354 1.00 0.00 N ATOM 399 CA HIS A 27 -0.009 12.834 -2.511 1.00 0.00 C ATOM 400 C HIS A 27 -1.022 12.118 -3.398 1.00 0.00 C ATOM 401 O HIS A 27 -2.224 12.356 -3.277 1.00 0.00 O ATOM 402 CB HIS A 27 0.267 14.197 -3.149 1.00 0.00 C ATOM 403 CG HIS A 27 1.396 14.983 -2.549 1.00 0.00 C ATOM 404 ND1 HIS A 27 2.559 15.253 -3.237 1.00 0.00 N ATOM 405 CD2 HIS A 27 1.526 15.585 -1.343 1.00 0.00 C ATOM 406 CE1 HIS A 27 3.356 15.985 -2.484 1.00 0.00 C ATOM 407 NE2 HIS A 27 2.753 16.203 -1.330 1.00 0.00 N ATOM 0 H HIS A 27 2.076 12.653 -2.536 1.00 0.00 H new ATOM 0 HA HIS A 27 -0.426 12.932 -1.508 1.00 0.00 H new ATOM 0 HB2 HIS A 27 0.477 14.045 -4.208 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -0.641 14.797 -3.087 1.00 0.00 H new ATOM 0 HD2 HIS A 27 0.801 15.580 -0.542 1.00 0.00 H new ATOM 0 HE1 HIS A 27 4.335 16.345 -2.764 1.00 0.00 H new ATOM 0 HE2 HIS A 27 3.136 16.743 -0.554 1.00 0.00 H new ATOM 416 N ARG A 28 -0.537 11.267 -4.293 1.00 0.00 N ATOM 417 CA ARG A 28 -1.393 10.582 -5.261 1.00 0.00 C ATOM 418 C ARG A 28 -2.394 9.645 -4.581 1.00 0.00 C ATOM 419 O ARG A 28 -3.344 9.179 -5.212 1.00 0.00 O ATOM 420 CB ARG A 28 -0.530 9.809 -6.258 1.00 0.00 C ATOM 421 CG ARG A 28 0.486 10.687 -6.970 1.00 0.00 C ATOM 422 CD ARG A 28 1.488 9.868 -7.764 1.00 0.00 C ATOM 423 NE ARG A 28 2.660 10.658 -8.139 1.00 0.00 N ATOM 424 CZ ARG A 28 3.276 10.568 -9.314 1.00 0.00 C ATOM 425 NH1 ARG A 28 2.859 9.693 -10.223 1.00 0.00 N ATOM 426 NH2 ARG A 28 4.331 11.331 -9.562 1.00 0.00 N ATOM 0 H ARG A 28 0.452 11.031 -4.371 1.00 0.00 H new ATOM 0 HA ARG A 28 -1.971 11.339 -5.790 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -0.007 9.009 -5.734 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -1.175 9.336 -6.998 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -0.033 11.373 -7.639 1.00 0.00 H new ATOM 0 HG3 ARG A 28 1.015 11.296 -6.237 1.00 0.00 H new ATOM 0 HD2 ARG A 28 1.803 9.008 -7.174 1.00 0.00 H new ATOM 0 HD3 ARG A 28 1.009 9.479 -8.663 1.00 0.00 H new ATOM 0 HE ARG A 28 3.028 11.320 -7.456 1.00 0.00 H new ATOM 0 HH11 ARG A 28 2.064 9.087 -10.021 1.00 0.00 H new ATOM 0 HH12 ARG A 28 3.334 9.627 -11.123 1.00 0.00 H new ATOM 0 HH21 ARG A 28 4.667 11.983 -8.853 1.00 0.00 H new ATOM 0 HH22 ARG A 28 4.807 11.266 -10.462 1.00 0.00 H new ATOM 440 N CYS A 29 -2.187 9.388 -3.292 1.00 0.00 N ATOM 441 CA CYS A 29 -3.093 8.554 -2.505 1.00 0.00 C ATOM 442 C CYS A 29 -4.526 9.081 -2.548 1.00 0.00 C ATOM 443 O CYS A 29 -5.487 8.307 -2.597 1.00 0.00 O ATOM 444 CB CYS A 29 -2.607 8.489 -1.058 1.00 0.00 C ATOM 445 SG CYS A 29 -3.634 7.478 0.030 1.00 0.00 S ATOM 0 H CYS A 29 -1.392 9.749 -2.766 1.00 0.00 H new ATOM 0 HA CYS A 29 -3.093 7.555 -2.940 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -1.590 8.096 -1.046 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -2.562 9.502 -0.657 1.00 0.00 H new ATOM 0 HG CYS A 29 -4.673 8.163 0.406 1.00 0.00 H new ATOM 451 N VAL A 30 -4.663 10.399 -2.557 1.00 0.00 N ATOM 452 CA VAL A 30 -5.971 11.033 -2.495 1.00 0.00 C ATOM 453 C VAL A 30 -6.792 10.717 -3.731 1.00 0.00 C ATOM 454 O VAL A 30 -7.993 10.490 -3.641 1.00 0.00 O ATOM 455 CB VAL A 30 -5.843 12.562 -2.316 1.00 0.00 C ATOM 456 CG1 VAL A 30 -4.885 12.858 -1.187 1.00 0.00 C ATOM 457 CG2 VAL A 30 -5.384 13.260 -3.589 1.00 0.00 C ATOM 0 H VAL A 30 -3.881 11.052 -2.607 1.00 0.00 H new ATOM 0 HA VAL A 30 -6.488 10.627 -1.625 1.00 0.00 H new ATOM 0 HB VAL A 30 -6.833 12.951 -2.079 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.794 13.937 -1.060 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -5.261 12.415 -0.265 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.907 12.437 -1.420 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.310 14.333 -3.409 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.409 12.874 -3.884 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -6.104 13.074 -4.386 1.00 0.00 H new ATOM 467 N ALA A 31 -6.134 10.673 -4.874 1.00 0.00 N ATOM 468 CA ALA A 31 -6.820 10.390 -6.121 1.00 0.00 C ATOM 469 C ALA A 31 -7.072 8.899 -6.259 1.00 0.00 C ATOM 470 O ALA A 31 -8.171 8.479 -6.617 1.00 0.00 O ATOM 471 CB ALA A 31 -6.020 10.907 -7.298 1.00 0.00 C ATOM 0 H ALA A 31 -5.130 10.829 -4.965 1.00 0.00 H new ATOM 0 HA ALA A 31 -7.782 10.903 -6.111 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -6.551 10.685 -8.224 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -5.889 11.985 -7.204 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -5.043 10.423 -7.315 1.00 0.00 H new ATOM 477 N THR A 32 -6.034 8.117 -5.992 1.00 0.00 N ATOM 478 CA THR A 32 -6.117 6.665 -6.028 1.00 0.00 C ATOM 479 C THR A 32 -7.294 6.125 -5.211 1.00 0.00 C ATOM 480 O THR A 32 -8.078 5.315 -5.709 1.00 0.00 O ATOM 481 CB THR A 32 -4.812 6.040 -5.500 1.00 0.00 C ATOM 482 OG1 THR A 32 -3.684 6.658 -6.135 1.00 0.00 O ATOM 483 CG2 THR A 32 -4.784 4.546 -5.770 1.00 0.00 C ATOM 0 H THR A 32 -5.111 8.473 -5.744 1.00 0.00 H new ATOM 0 HA THR A 32 -6.274 6.388 -7.070 1.00 0.00 H new ATOM 0 HB THR A 32 -4.765 6.205 -4.424 1.00 0.00 H new ATOM 0 HG1 THR A 32 -3.477 7.503 -5.684 1.00 0.00 H new ATOM 0 HG21 THR A 32 -3.854 4.125 -5.389 1.00 0.00 H new ATOM 0 HG22 THR A 32 -5.629 4.070 -5.272 1.00 0.00 H new ATOM 0 HG23 THR A 32 -4.850 4.369 -6.844 1.00 0.00 H new ATOM 491 N VAL A 33 -7.426 6.568 -3.963 1.00 0.00 N ATOM 492 CA VAL A 33 -8.450 6.013 -3.086 1.00 0.00 C ATOM 493 C VAL A 33 -9.258 7.090 -2.362 1.00 0.00 C ATOM 494 O VAL A 33 -10.438 6.888 -2.079 1.00 0.00 O ATOM 495 CB VAL A 33 -7.851 5.035 -2.049 1.00 0.00 C ATOM 496 CG1 VAL A 33 -7.340 3.782 -2.739 1.00 0.00 C ATOM 497 CG2 VAL A 33 -6.734 5.695 -1.257 1.00 0.00 C ATOM 0 H VAL A 33 -6.848 7.296 -3.543 1.00 0.00 H new ATOM 0 HA VAL A 33 -9.128 5.466 -3.742 1.00 0.00 H new ATOM 0 HB VAL A 33 -8.641 4.756 -1.352 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -6.921 3.103 -1.996 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -8.163 3.290 -3.257 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -6.568 4.052 -3.460 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -6.331 4.985 -0.535 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -5.943 6.010 -1.937 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -7.126 6.565 -0.730 1.00 0.00 H new ATOM 507 N GLY A 34 -8.646 8.230 -2.073 1.00 0.00 N ATOM 508 CA GLY A 34 -9.355 9.265 -1.347 1.00 0.00 C ATOM 509 C GLY A 34 -8.663 9.682 -0.068 1.00 0.00 C ATOM 510 O GLY A 34 -8.844 10.801 0.406 1.00 0.00 O ATOM 0 H GLY A 34 -7.684 8.456 -2.324 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.469 10.137 -1.991 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -10.358 8.910 -1.110 1.00 0.00 H new ATOM 514 N TYR A 35 -7.878 8.784 0.508 1.00 0.00 N ATOM 515 CA TYR A 35 -7.160 9.113 1.729 1.00 0.00 C ATOM 516 C TYR A 35 -6.037 10.071 1.415 1.00 0.00 C ATOM 517 O TYR A 35 -5.343 9.920 0.414 1.00 0.00 O ATOM 518 CB TYR A 35 -6.574 7.874 2.409 1.00 0.00 C ATOM 519 CG TYR A 35 -7.601 6.843 2.797 1.00 0.00 C ATOM 520 CD1 TYR A 35 -8.786 7.220 3.412 1.00 0.00 C ATOM 521 CD2 TYR A 35 -7.387 5.492 2.557 1.00 0.00 C ATOM 522 CE1 TYR A 35 -9.729 6.284 3.773 1.00 0.00 C ATOM 523 CE2 TYR A 35 -8.325 4.551 2.915 1.00 0.00 C ATOM 524 CZ TYR A 35 -9.497 4.953 3.521 1.00 0.00 C ATOM 525 OH TYR A 35 -10.441 4.022 3.875 1.00 0.00 O ATOM 0 H TYR A 35 -7.724 7.839 0.157 1.00 0.00 H new ATOM 0 HA TYR A 35 -7.877 9.567 2.412 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -5.848 7.414 1.739 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -6.031 8.185 3.302 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -8.972 8.265 3.611 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -6.470 5.175 2.082 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -10.646 6.594 4.252 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -8.145 3.504 2.723 1.00 0.00 H new ATOM 0 HH TYR A 35 -10.245 3.682 4.773 1.00 0.00 H new ATOM 535 N GLN A 36 -5.852 11.049 2.270 1.00 0.00 N ATOM 536 CA GLN A 36 -4.731 11.946 2.111 1.00 0.00 C ATOM 537 C GLN A 36 -3.520 11.271 2.723 1.00 0.00 C ATOM 538 O GLN A 36 -3.687 10.444 3.619 1.00 0.00 O ATOM 539 CB GLN A 36 -4.965 13.293 2.812 1.00 0.00 C ATOM 540 CG GLN A 36 -6.333 13.931 2.590 1.00 0.00 C ATOM 541 CD GLN A 36 -6.655 14.222 1.138 1.00 0.00 C ATOM 542 OE1 GLN A 36 -7.410 13.336 0.504 1.00 0.00 O flip ATOM 543 NE2 GLN A 36 -6.263 15.259 0.603 1.00 0.00 N flip ATOM 0 H GLN A 36 -6.453 11.243 3.071 1.00 0.00 H new ATOM 0 HA GLN A 36 -4.590 12.153 1.050 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -4.820 13.153 3.883 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -4.200 13.993 2.476 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -7.100 13.270 2.995 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -6.383 14.862 3.155 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -5.683 15.915 1.126 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -6.518 15.462 -0.363 1.00 0.00 H new ATOM 552 N PRO A 37 -2.300 11.581 2.258 1.00 0.00 N ATOM 553 CA PRO A 37 -1.079 11.045 2.864 1.00 0.00 C ATOM 554 C PRO A 37 -1.152 11.113 4.387 1.00 0.00 C ATOM 555 O PRO A 37 -0.978 10.111 5.077 1.00 0.00 O ATOM 556 CB PRO A 37 0.003 11.983 2.334 1.00 0.00 C ATOM 557 CG PRO A 37 -0.505 12.440 1.010 1.00 0.00 C ATOM 558 CD PRO A 37 -2.009 12.457 1.110 1.00 0.00 C ATOM 0 HA PRO A 37 -0.902 9.997 2.622 1.00 0.00 H new ATOM 0 HB2 PRO A 37 0.162 12.824 3.008 1.00 0.00 H new ATOM 0 HB3 PRO A 37 0.959 11.468 2.235 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -0.121 13.431 0.769 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -0.177 11.769 0.216 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -2.387 13.466 1.272 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -2.474 12.086 0.197 1.00 0.00 H new ATOM 566 N GLN A 38 -1.495 12.302 4.876 1.00 0.00 N ATOM 567 CA GLN A 38 -1.648 12.558 6.305 1.00 0.00 C ATOM 568 C GLN A 38 -2.597 11.542 6.934 1.00 0.00 C ATOM 569 O GLN A 38 -2.256 10.876 7.912 1.00 0.00 O ATOM 570 CB GLN A 38 -2.206 13.970 6.514 1.00 0.00 C ATOM 571 CG GLN A 38 -1.501 15.039 5.693 1.00 0.00 C ATOM 572 CD GLN A 38 -0.133 15.406 6.237 1.00 0.00 C ATOM 573 OE1 GLN A 38 -0.003 16.320 7.048 1.00 0.00 O ATOM 574 NE2 GLN A 38 0.900 14.708 5.787 1.00 0.00 N ATOM 0 H GLN A 38 -1.675 13.117 4.290 1.00 0.00 H new ATOM 0 HA GLN A 38 -0.672 12.469 6.782 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -3.266 13.972 6.261 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -2.129 14.228 7.570 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -1.394 14.688 4.667 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -2.124 15.933 5.661 1.00 0.00 H new ATOM 0 HE21 GLN A 38 0.753 13.956 5.114 1.00 0.00 H new ATOM 0 HE22 GLN A 38 1.842 14.923 6.114 1.00 0.00 H new ATOM 583 N GLU A 39 -3.766 11.387 6.319 1.00 0.00 N ATOM 584 CA GLU A 39 -4.826 10.545 6.863 1.00 0.00 C ATOM 585 C GLU A 39 -4.395 9.090 6.950 1.00 0.00 C ATOM 586 O GLU A 39 -4.819 8.356 7.843 1.00 0.00 O ATOM 587 CB GLU A 39 -6.081 10.655 5.999 1.00 0.00 C ATOM 588 CG GLU A 39 -6.877 11.921 6.245 1.00 0.00 C ATOM 589 CD GLU A 39 -7.466 11.950 7.636 1.00 0.00 C ATOM 590 OE1 GLU A 39 -8.553 11.370 7.836 1.00 0.00 O ATOM 591 OE2 GLU A 39 -6.834 12.527 8.546 1.00 0.00 O ATOM 0 H GLU A 39 -4.004 11.838 5.436 1.00 0.00 H new ATOM 0 HA GLU A 39 -5.042 10.898 7.872 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -5.794 10.615 4.948 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -6.719 9.792 6.188 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -6.233 12.789 6.105 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -7.678 11.996 5.509 1.00 0.00 H new ATOM 598 N LEU A 40 -3.549 8.682 6.020 1.00 0.00 N ATOM 599 CA LEU A 40 -3.126 7.300 5.945 1.00 0.00 C ATOM 600 C LEU A 40 -1.982 7.040 6.923 1.00 0.00 C ATOM 601 O LEU A 40 -1.816 5.921 7.408 1.00 0.00 O ATOM 602 CB LEU A 40 -2.714 6.978 4.508 1.00 0.00 C ATOM 603 CG LEU A 40 -2.644 5.493 4.160 1.00 0.00 C ATOM 604 CD1 LEU A 40 -3.956 4.802 4.502 1.00 0.00 C ATOM 605 CD2 LEU A 40 -2.321 5.321 2.684 1.00 0.00 C ATOM 0 H LEU A 40 -3.143 9.290 5.308 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.952 6.647 6.227 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.419 7.459 3.830 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.737 7.423 4.320 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.852 5.031 4.750 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.887 3.744 4.247 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.155 4.906 5.569 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.767 5.260 3.935 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.273 4.259 2.443 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.098 5.794 2.084 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.360 5.787 2.465 1.00 0.00 H new ATOM 617 N LEU A 41 -1.206 8.082 7.218 1.00 0.00 N ATOM 618 CA LEU A 41 -0.098 7.967 8.165 1.00 0.00 C ATOM 619 C LEU A 41 -0.603 7.525 9.530 1.00 0.00 C ATOM 620 O LEU A 41 -1.311 8.267 10.212 1.00 0.00 O ATOM 621 CB LEU A 41 0.652 9.294 8.305 1.00 0.00 C ATOM 622 CG LEU A 41 1.219 9.866 7.010 1.00 0.00 C ATOM 623 CD1 LEU A 41 1.935 11.180 7.277 1.00 0.00 C ATOM 624 CD2 LEU A 41 2.156 8.869 6.353 1.00 0.00 C ATOM 0 H LEU A 41 -1.323 9.012 6.816 1.00 0.00 H new ATOM 0 HA LEU A 41 0.589 7.217 7.774 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.024 10.029 8.742 1.00 0.00 H new ATOM 0 HB3 LEU A 41 1.471 9.156 9.010 1.00 0.00 H new ATOM 0 HG LEU A 41 0.392 10.059 6.327 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.333 11.574 6.342 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.233 11.897 7.703 1.00 0.00 H new ATOM 0 HD13 LEU A 41 2.753 11.013 7.978 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.551 9.294 5.430 1.00 0.00 H new ATOM 0 HD22 LEU A 41 2.980 8.643 7.030 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.611 7.953 6.126 1.00 0.00 H new ATOM 636 N GLY A 42 -0.246 6.313 9.918 1.00 0.00 N ATOM 637 CA GLY A 42 -0.681 5.790 11.196 1.00 0.00 C ATOM 638 C GLY A 42 -1.622 4.613 11.043 1.00 0.00 C ATOM 639 O GLY A 42 -1.765 3.803 11.956 1.00 0.00 O ATOM 0 H GLY A 42 0.338 5.680 9.371 1.00 0.00 H new ATOM 0 HA2 GLY A 42 0.189 5.484 11.776 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.178 6.580 11.759 1.00 0.00 H new ATOM 643 N LYS A 43 -2.260 4.512 9.886 1.00 0.00 N ATOM 644 CA LYS A 43 -3.181 3.424 9.615 1.00 0.00 C ATOM 645 C LYS A 43 -2.468 2.330 8.835 1.00 0.00 C ATOM 646 O LYS A 43 -1.661 2.613 7.947 1.00 0.00 O ATOM 647 CB LYS A 43 -4.382 3.935 8.809 1.00 0.00 C ATOM 648 CG LYS A 43 -5.247 4.953 9.542 1.00 0.00 C ATOM 649 CD LYS A 43 -6.423 4.302 10.265 1.00 0.00 C ATOM 650 CE LYS A 43 -5.978 3.441 11.437 1.00 0.00 C ATOM 651 NZ LYS A 43 -7.136 2.830 12.144 1.00 0.00 N ATOM 0 H LYS A 43 -2.154 5.175 9.118 1.00 0.00 H new ATOM 0 HA LYS A 43 -3.538 3.019 10.562 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -4.019 4.384 7.885 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -5.003 3.085 8.528 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -4.635 5.494 10.263 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -5.623 5.687 8.829 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -7.100 5.077 10.624 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -6.985 3.689 9.560 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -5.314 2.654 11.079 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -5.404 4.048 12.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -6.793 2.251 12.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -7.756 3.581 12.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -7.670 2.230 11.483 1.00 0.00 H new ATOM 665 N ASN A 44 -2.737 1.086 9.194 1.00 0.00 N ATOM 666 CA ASN A 44 -2.202 -0.051 8.466 1.00 0.00 C ATOM 667 C ASN A 44 -2.964 -0.237 7.163 1.00 0.00 C ATOM 668 O ASN A 44 -4.185 -0.084 7.116 1.00 0.00 O ATOM 669 CB ASN A 44 -2.334 -1.314 9.319 1.00 0.00 C ATOM 670 CG ASN A 44 -1.454 -2.453 8.846 1.00 0.00 C ATOM 671 OD1 ASN A 44 -1.222 -2.630 7.654 1.00 0.00 O ATOM 672 ND2 ASN A 44 -0.954 -3.237 9.786 1.00 0.00 N ATOM 0 H ASN A 44 -3.326 0.838 9.989 1.00 0.00 H new ATOM 0 HA ASN A 44 -1.150 0.131 8.244 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -2.082 -1.074 10.352 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -3.374 -1.641 9.313 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -0.353 -4.020 9.530 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -1.169 -3.058 10.767 1.00 0.00 H new ATOM 679 N ILE A 45 -2.234 -0.568 6.108 1.00 0.00 N ATOM 680 CA ILE A 45 -2.830 -0.879 4.814 1.00 0.00 C ATOM 681 C ILE A 45 -3.793 -2.065 4.934 1.00 0.00 C ATOM 682 O ILE A 45 -4.751 -2.175 4.172 1.00 0.00 O ATOM 683 CB ILE A 45 -1.735 -1.193 3.763 1.00 0.00 C ATOM 684 CG1 ILE A 45 -2.354 -1.432 2.381 1.00 0.00 C ATOM 685 CG2 ILE A 45 -0.903 -2.393 4.197 1.00 0.00 C ATOM 686 CD1 ILE A 45 -1.328 -1.660 1.290 1.00 0.00 C ATOM 0 H ILE A 45 -1.216 -0.629 6.123 1.00 0.00 H new ATOM 0 HA ILE A 45 -3.389 -0.003 4.484 1.00 0.00 H new ATOM 0 HB ILE A 45 -1.076 -0.328 3.691 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -3.016 -2.297 2.433 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -2.971 -0.574 2.115 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -0.140 -2.597 3.446 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -0.424 -2.177 5.152 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -1.549 -3.264 4.304 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -1.837 -1.822 0.340 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -0.681 -0.786 1.211 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -0.727 -2.536 1.533 1.00 0.00 H new ATOM 698 N VAL A 46 -3.550 -2.936 5.915 1.00 0.00 N ATOM 699 CA VAL A 46 -4.388 -4.111 6.113 1.00 0.00 C ATOM 700 C VAL A 46 -5.701 -3.736 6.808 1.00 0.00 C ATOM 701 O VAL A 46 -6.666 -4.497 6.788 1.00 0.00 O ATOM 702 CB VAL A 46 -3.653 -5.213 6.916 1.00 0.00 C ATOM 703 CG1 VAL A 46 -3.704 -4.946 8.416 1.00 0.00 C ATOM 704 CG2 VAL A 46 -4.218 -6.585 6.587 1.00 0.00 C ATOM 0 H VAL A 46 -2.782 -2.847 6.580 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.616 -4.512 5.126 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.604 -5.194 6.619 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -3.178 -5.741 8.945 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.228 -3.989 8.632 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.743 -4.917 8.745 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -3.688 -7.344 7.162 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -5.278 -6.612 6.841 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -4.094 -6.784 5.522 1.00 0.00 H new ATOM 714 N GLU A 47 -5.737 -2.549 7.410 1.00 0.00 N ATOM 715 CA GLU A 47 -6.958 -2.047 8.029 1.00 0.00 C ATOM 716 C GLU A 47 -8.003 -1.784 6.960 1.00 0.00 C ATOM 717 O GLU A 47 -9.173 -2.128 7.111 1.00 0.00 O ATOM 718 CB GLU A 47 -6.683 -0.760 8.810 1.00 0.00 C ATOM 719 CG GLU A 47 -5.891 -0.970 10.090 1.00 0.00 C ATOM 720 CD GLU A 47 -6.673 -1.728 11.139 1.00 0.00 C ATOM 721 OE1 GLU A 47 -7.682 -1.185 11.640 1.00 0.00 O ATOM 722 OE2 GLU A 47 -6.281 -2.863 11.481 1.00 0.00 O ATOM 0 H GLU A 47 -4.937 -1.920 7.481 1.00 0.00 H new ATOM 0 HA GLU A 47 -7.328 -2.800 8.725 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -6.139 -0.067 8.168 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -7.633 -0.287 9.057 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -4.975 -1.514 9.861 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -5.594 -0.001 10.492 1.00 0.00 H new ATOM 729 N PHE A 48 -7.557 -1.188 5.863 1.00 0.00 N ATOM 730 CA PHE A 48 -8.437 -0.903 4.746 1.00 0.00 C ATOM 731 C PHE A 48 -8.254 -1.952 3.660 1.00 0.00 C ATOM 732 O PHE A 48 -8.518 -1.700 2.485 1.00 0.00 O ATOM 733 CB PHE A 48 -8.171 0.495 4.185 1.00 0.00 C ATOM 734 CG PHE A 48 -8.144 1.568 5.234 1.00 0.00 C ATOM 735 CD1 PHE A 48 -9.317 2.052 5.804 1.00 0.00 C ATOM 736 CD2 PHE A 48 -6.934 2.093 5.656 1.00 0.00 C ATOM 737 CE1 PHE A 48 -9.272 3.037 6.772 1.00 0.00 C ATOM 738 CE2 PHE A 48 -6.888 3.074 6.621 1.00 0.00 C ATOM 739 CZ PHE A 48 -8.055 3.548 7.179 1.00 0.00 C ATOM 0 H PHE A 48 -6.590 -0.894 5.726 1.00 0.00 H new ATOM 0 HA PHE A 48 -9.467 -0.935 5.101 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -7.217 0.490 3.657 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -8.940 0.735 3.451 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -10.270 1.655 5.488 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -6.015 1.728 5.223 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -10.187 3.407 7.210 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -5.936 3.472 6.941 1.00 0.00 H new ATOM 0 HZ PHE A 48 -8.018 4.319 7.934 1.00 0.00 H new ATOM 749 N CYS A 49 -7.771 -3.120 4.060 1.00 0.00 N ATOM 750 CA CYS A 49 -7.685 -4.255 3.158 1.00 0.00 C ATOM 751 C CYS A 49 -8.893 -5.155 3.363 1.00 0.00 C ATOM 752 O CYS A 49 -9.303 -5.411 4.499 1.00 0.00 O ATOM 753 CB CYS A 49 -6.395 -5.038 3.403 1.00 0.00 C ATOM 754 SG CYS A 49 -6.188 -6.496 2.352 1.00 0.00 S ATOM 0 H CYS A 49 -7.433 -3.304 5.005 1.00 0.00 H new ATOM 0 HA CYS A 49 -7.674 -3.893 2.130 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -5.546 -4.372 3.249 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -6.369 -5.352 4.447 1.00 0.00 H new ATOM 0 HG CYS A 49 -7.185 -6.578 1.522 1.00 0.00 H new ATOM 760 N HIS A 50 -9.489 -5.585 2.260 1.00 0.00 N ATOM 761 CA HIS A 50 -10.644 -6.469 2.301 1.00 0.00 C ATOM 762 C HIS A 50 -10.311 -7.741 3.083 1.00 0.00 C ATOM 763 O HIS A 50 -9.323 -8.413 2.801 1.00 0.00 O ATOM 764 CB HIS A 50 -11.084 -6.811 0.881 1.00 0.00 C ATOM 765 CG HIS A 50 -12.515 -7.227 0.766 1.00 0.00 C ATOM 766 ND1 HIS A 50 -12.934 -8.540 0.759 1.00 0.00 N ATOM 767 CD2 HIS A 50 -13.628 -6.481 0.646 1.00 0.00 C ATOM 768 CE1 HIS A 50 -14.250 -8.577 0.644 1.00 0.00 C ATOM 769 NE2 HIS A 50 -14.691 -7.340 0.574 1.00 0.00 N ATOM 0 H HIS A 50 -9.188 -5.333 1.318 1.00 0.00 H new ATOM 0 HA HIS A 50 -11.464 -5.961 2.809 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -10.917 -5.944 0.242 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -10.452 -7.614 0.500 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -13.674 -5.403 0.613 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -14.858 -9.469 0.613 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -15.669 -7.065 0.481 1.00 0.00 H new ATOM 778 N PRO A 51 -11.149 -8.081 4.077 1.00 0.00 N ATOM 779 CA PRO A 51 -10.887 -9.168 5.039 1.00 0.00 C ATOM 780 C PRO A 51 -10.544 -10.525 4.412 1.00 0.00 C ATOM 781 O PRO A 51 -9.965 -11.380 5.080 1.00 0.00 O ATOM 782 CB PRO A 51 -12.195 -9.274 5.837 1.00 0.00 C ATOM 783 CG PRO A 51 -13.200 -8.488 5.066 1.00 0.00 C ATOM 784 CD PRO A 51 -12.425 -7.417 4.362 1.00 0.00 C ATOM 0 HA PRO A 51 -10.004 -8.930 5.632 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -12.507 -10.313 5.942 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -12.073 -8.874 6.844 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -13.729 -9.121 4.353 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -13.951 -8.057 5.728 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -12.924 -7.089 3.450 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -12.292 -6.535 4.988 1.00 0.00 H new ATOM 792 N GLU A 52 -10.880 -10.735 3.143 1.00 0.00 N ATOM 793 CA GLU A 52 -10.632 -12.028 2.513 1.00 0.00 C ATOM 794 C GLU A 52 -9.282 -12.040 1.801 1.00 0.00 C ATOM 795 O GLU A 52 -8.762 -13.100 1.457 1.00 0.00 O ATOM 796 CB GLU A 52 -11.743 -12.375 1.528 1.00 0.00 C ATOM 797 CG GLU A 52 -11.741 -11.495 0.301 1.00 0.00 C ATOM 798 CD GLU A 52 -12.796 -11.890 -0.704 1.00 0.00 C ATOM 799 OE1 GLU A 52 -12.503 -12.723 -1.587 1.00 0.00 O ATOM 800 OE2 GLU A 52 -13.920 -11.366 -0.620 1.00 0.00 O ATOM 0 H GLU A 52 -11.318 -10.040 2.539 1.00 0.00 H new ATOM 0 HA GLU A 52 -10.616 -12.781 3.301 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -11.637 -13.416 1.222 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -12.707 -12.287 2.030 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -11.902 -10.460 0.602 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -10.760 -11.541 -0.172 1.00 0.00 H new ATOM 807 N ASP A 53 -8.704 -10.862 1.606 1.00 0.00 N ATOM 808 CA ASP A 53 -7.439 -10.741 0.901 1.00 0.00 C ATOM 809 C ASP A 53 -6.396 -10.100 1.803 1.00 0.00 C ATOM 810 O ASP A 53 -5.279 -9.794 1.378 1.00 0.00 O ATOM 811 CB ASP A 53 -7.607 -9.966 -0.414 1.00 0.00 C ATOM 812 CG ASP A 53 -8.558 -8.786 -0.321 1.00 0.00 C ATOM 813 OD1 ASP A 53 -9.780 -8.997 -0.519 1.00 0.00 O ATOM 814 OD2 ASP A 53 -8.098 -7.651 -0.072 1.00 0.00 O ATOM 0 H ASP A 53 -9.094 -9.976 1.928 1.00 0.00 H new ATOM 0 HA ASP A 53 -7.091 -11.740 0.638 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -6.630 -9.607 -0.739 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -7.967 -10.650 -1.183 1.00 0.00 H new ATOM 819 N GLN A 54 -6.759 -9.942 3.072 1.00 0.00 N ATOM 820 CA GLN A 54 -5.822 -9.479 4.090 1.00 0.00 C ATOM 821 C GLN A 54 -4.708 -10.502 4.270 1.00 0.00 C ATOM 822 O GLN A 54 -3.564 -10.154 4.560 1.00 0.00 O ATOM 823 CB GLN A 54 -6.535 -9.249 5.427 1.00 0.00 C ATOM 824 CG GLN A 54 -7.363 -7.976 5.474 1.00 0.00 C ATOM 825 CD GLN A 54 -7.952 -7.712 6.844 1.00 0.00 C ATOM 826 OE1 GLN A 54 -7.396 -8.118 7.860 1.00 0.00 O ATOM 827 NE2 GLN A 54 -9.070 -7.008 6.883 1.00 0.00 N ATOM 0 H GLN A 54 -7.699 -10.129 3.421 1.00 0.00 H new ATOM 0 HA GLN A 54 -5.397 -8.531 3.759 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -7.184 -10.100 5.632 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -5.791 -9.216 6.223 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -6.739 -7.131 5.182 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -8.169 -8.045 4.744 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -9.502 -6.688 6.016 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -9.501 -6.784 7.780 1.00 0.00 H new ATOM 836 N GLN A 55 -5.055 -11.769 4.084 1.00 0.00 N ATOM 837 CA GLN A 55 -4.085 -12.850 4.155 1.00 0.00 C ATOM 838 C GLN A 55 -3.042 -12.692 3.056 1.00 0.00 C ATOM 839 O GLN A 55 -1.868 -12.997 3.255 1.00 0.00 O ATOM 840 CB GLN A 55 -4.790 -14.197 4.020 1.00 0.00 C ATOM 841 CG GLN A 55 -3.865 -15.397 4.171 1.00 0.00 C ATOM 842 CD GLN A 55 -3.150 -15.419 5.508 1.00 0.00 C ATOM 843 OE1 GLN A 55 -3.675 -14.941 6.517 1.00 0.00 O ATOM 844 NE2 GLN A 55 -1.943 -15.958 5.526 1.00 0.00 N ATOM 0 H GLN A 55 -6.007 -12.073 3.882 1.00 0.00 H new ATOM 0 HA GLN A 55 -3.584 -12.810 5.122 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -5.577 -14.261 4.772 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -5.275 -14.246 3.045 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -4.444 -16.314 4.058 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -3.127 -15.385 3.369 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -1.544 -16.343 4.670 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -1.411 -15.989 6.396 1.00 0.00 H new ATOM 853 N LEU A 56 -3.480 -12.196 1.901 1.00 0.00 N ATOM 854 CA LEU A 56 -2.578 -11.941 0.791 1.00 0.00 C ATOM 855 C LEU A 56 -1.559 -10.888 1.172 1.00 0.00 C ATOM 856 O LEU A 56 -0.366 -11.076 0.969 1.00 0.00 O ATOM 857 CB LEU A 56 -3.351 -11.502 -0.454 1.00 0.00 C ATOM 858 CG LEU A 56 -4.122 -12.619 -1.153 1.00 0.00 C ATOM 859 CD1 LEU A 56 -4.957 -12.068 -2.295 1.00 0.00 C ATOM 860 CD2 LEU A 56 -3.158 -13.679 -1.664 1.00 0.00 C ATOM 0 H LEU A 56 -4.455 -11.964 1.714 1.00 0.00 H new ATOM 0 HA LEU A 56 -2.057 -12.870 0.559 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.052 -10.717 -0.172 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -2.650 -11.063 -1.164 1.00 0.00 H new ATOM 0 HG LEU A 56 -4.798 -13.075 -0.430 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -5.497 -12.883 -2.777 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -5.670 -11.340 -1.907 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -4.305 -11.584 -3.022 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -3.718 -14.471 -2.161 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -2.463 -13.228 -2.372 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.601 -14.099 -0.826 1.00 0.00 H new ATOM 872 N LEU A 57 -2.029 -9.787 1.741 1.00 0.00 N ATOM 873 CA LEU A 57 -1.128 -8.742 2.211 1.00 0.00 C ATOM 874 C LEU A 57 -0.203 -9.275 3.292 1.00 0.00 C ATOM 875 O LEU A 57 0.983 -8.968 3.296 1.00 0.00 O ATOM 876 CB LEU A 57 -1.893 -7.523 2.730 1.00 0.00 C ATOM 877 CG LEU A 57 -2.495 -6.626 1.648 1.00 0.00 C ATOM 878 CD1 LEU A 57 -3.019 -5.340 2.261 1.00 0.00 C ATOM 879 CD2 LEU A 57 -1.462 -6.316 0.576 1.00 0.00 C ATOM 0 H LEU A 57 -3.020 -9.594 1.888 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.530 -8.424 1.357 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.695 -7.868 3.382 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.219 -6.924 3.343 1.00 0.00 H new ATOM 0 HG LEU A 57 -3.326 -7.156 1.184 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.445 -4.711 1.479 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.788 -5.575 2.997 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.201 -4.809 2.748 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.909 -5.677 -0.186 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.612 -5.804 1.027 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.124 -7.245 0.117 1.00 0.00 H new ATOM 891 N ARG A 58 -0.739 -10.096 4.189 1.00 0.00 N ATOM 892 CA ARG A 58 0.061 -10.668 5.258 1.00 0.00 C ATOM 893 C ARG A 58 1.199 -11.496 4.688 1.00 0.00 C ATOM 894 O ARG A 58 2.365 -11.187 4.908 1.00 0.00 O ATOM 895 CB ARG A 58 -0.803 -11.527 6.182 1.00 0.00 C ATOM 896 CG ARG A 58 -1.620 -10.716 7.171 1.00 0.00 C ATOM 897 CD ARG A 58 -2.473 -11.611 8.052 1.00 0.00 C ATOM 898 NE ARG A 58 -2.970 -10.897 9.224 1.00 0.00 N ATOM 899 CZ ARG A 58 -4.150 -11.122 9.797 1.00 0.00 C ATOM 900 NH1 ARG A 58 -4.997 -12.004 9.277 1.00 0.00 N ATOM 901 NH2 ARG A 58 -4.478 -10.456 10.894 1.00 0.00 N ATOM 0 H ARG A 58 -1.719 -10.377 4.195 1.00 0.00 H new ATOM 0 HA ARG A 58 0.482 -9.848 5.841 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -1.477 -12.134 5.577 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -0.161 -12.216 6.731 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -0.953 -10.120 7.793 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -2.260 -10.018 6.631 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -3.315 -11.994 7.475 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -1.887 -12.473 8.372 1.00 0.00 H new ATOM 0 HE ARG A 58 -2.373 -10.177 9.631 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -4.745 -12.516 8.431 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -5.899 -12.169 9.724 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -3.829 -9.778 11.292 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -5.380 -10.621 11.340 1.00 0.00 H new ATOM 915 N ASP A 59 0.853 -12.524 3.926 1.00 0.00 N ATOM 916 CA ASP A 59 1.848 -13.432 3.373 1.00 0.00 C ATOM 917 C ASP A 59 2.821 -12.705 2.452 1.00 0.00 C ATOM 918 O ASP A 59 4.024 -12.868 2.581 1.00 0.00 O ATOM 919 CB ASP A 59 1.175 -14.579 2.618 1.00 0.00 C ATOM 920 CG ASP A 59 2.172 -15.484 1.918 1.00 0.00 C ATOM 921 OD1 ASP A 59 2.882 -16.246 2.610 1.00 0.00 O ATOM 922 OD2 ASP A 59 2.236 -15.452 0.672 1.00 0.00 O ATOM 0 H ASP A 59 -0.110 -12.750 3.676 1.00 0.00 H new ATOM 0 HA ASP A 59 2.414 -13.841 4.210 1.00 0.00 H new ATOM 0 HB2 ASP A 59 0.582 -15.170 3.316 1.00 0.00 H new ATOM 0 HB3 ASP A 59 0.484 -14.168 1.882 1.00 0.00 H new ATOM 927 N SER A 60 2.298 -11.869 1.564 1.00 0.00 N ATOM 928 CA SER A 60 3.110 -11.236 0.526 1.00 0.00 C ATOM 929 C SER A 60 4.138 -10.295 1.125 1.00 0.00 C ATOM 930 O SER A 60 5.299 -10.277 0.716 1.00 0.00 O ATOM 931 CB SER A 60 2.214 -10.466 -0.433 1.00 0.00 C ATOM 932 OG SER A 60 1.558 -9.396 0.225 1.00 0.00 O ATOM 0 H SER A 60 1.311 -11.611 1.540 1.00 0.00 H new ATOM 0 HA SER A 60 3.639 -12.022 -0.012 1.00 0.00 H new ATOM 0 HB2 SER A 60 2.810 -10.078 -1.259 1.00 0.00 H new ATOM 0 HB3 SER A 60 1.474 -11.140 -0.864 1.00 0.00 H new ATOM 0 HG SER A 60 0.804 -9.745 0.745 1.00 0.00 H new ATOM 938 N PHE A 61 3.695 -9.511 2.087 1.00 0.00 N ATOM 939 CA PHE A 61 4.577 -8.586 2.784 1.00 0.00 C ATOM 940 C PHE A 61 5.681 -9.349 3.495 1.00 0.00 C ATOM 941 O PHE A 61 6.838 -8.937 3.489 1.00 0.00 O ATOM 942 CB PHE A 61 3.800 -7.727 3.780 1.00 0.00 C ATOM 943 CG PHE A 61 2.989 -6.627 3.141 1.00 0.00 C ATOM 944 CD1 PHE A 61 3.305 -6.150 1.874 1.00 0.00 C ATOM 945 CD2 PHE A 61 1.918 -6.064 3.815 1.00 0.00 C ATOM 946 CE1 PHE A 61 2.564 -5.138 1.295 1.00 0.00 C ATOM 947 CE2 PHE A 61 1.175 -5.051 3.239 1.00 0.00 C ATOM 948 CZ PHE A 61 1.499 -4.588 1.977 1.00 0.00 C ATOM 0 H PHE A 61 2.727 -9.493 2.407 1.00 0.00 H new ATOM 0 HA PHE A 61 5.024 -7.922 2.044 1.00 0.00 H new ATOM 0 HB2 PHE A 61 3.133 -8.369 4.355 1.00 0.00 H new ATOM 0 HB3 PHE A 61 4.502 -7.283 4.486 1.00 0.00 H new ATOM 0 HD1 PHE A 61 4.139 -6.575 1.336 1.00 0.00 H new ATOM 0 HD2 PHE A 61 1.661 -6.421 4.801 1.00 0.00 H new ATOM 0 HE1 PHE A 61 2.819 -4.778 0.309 1.00 0.00 H new ATOM 0 HE2 PHE A 61 0.341 -4.621 3.774 1.00 0.00 H new ATOM 0 HZ PHE A 61 0.919 -3.797 1.526 1.00 0.00 H new ATOM 958 N GLN A 62 5.320 -10.476 4.081 1.00 0.00 N ATOM 959 CA GLN A 62 6.284 -11.340 4.727 1.00 0.00 C ATOM 960 C GLN A 62 7.236 -11.914 3.688 1.00 0.00 C ATOM 961 O GLN A 62 8.444 -11.987 3.905 1.00 0.00 O ATOM 962 CB GLN A 62 5.546 -12.461 5.451 1.00 0.00 C ATOM 963 CG GLN A 62 4.619 -11.964 6.549 1.00 0.00 C ATOM 964 CD GLN A 62 5.318 -11.754 7.878 1.00 0.00 C ATOM 965 OE1 GLN A 62 5.822 -10.670 8.168 1.00 0.00 O ATOM 966 NE2 GLN A 62 5.355 -12.791 8.698 1.00 0.00 N ATOM 0 H GLN A 62 4.358 -10.814 4.121 1.00 0.00 H new ATOM 0 HA GLN A 62 6.865 -10.770 5.452 1.00 0.00 H new ATOM 0 HB2 GLN A 62 4.965 -13.031 4.726 1.00 0.00 H new ATOM 0 HB3 GLN A 62 6.275 -13.146 5.884 1.00 0.00 H new ATOM 0 HG2 GLN A 62 4.165 -11.025 6.233 1.00 0.00 H new ATOM 0 HG3 GLN A 62 3.809 -12.681 6.682 1.00 0.00 H new ATOM 0 HE21 GLN A 62 4.926 -13.674 8.423 1.00 0.00 H new ATOM 0 HE22 GLN A 62 5.813 -12.707 9.606 1.00 0.00 H new ATOM 975 N GLN A 63 6.676 -12.286 2.546 1.00 0.00 N ATOM 976 CA GLN A 63 7.442 -12.863 1.459 1.00 0.00 C ATOM 977 C GLN A 63 8.468 -11.881 0.920 1.00 0.00 C ATOM 978 O GLN A 63 9.616 -12.243 0.726 1.00 0.00 O ATOM 979 CB GLN A 63 6.524 -13.314 0.331 1.00 0.00 C ATOM 980 CG GLN A 63 5.600 -14.446 0.725 1.00 0.00 C ATOM 981 CD GLN A 63 6.342 -15.691 1.158 1.00 0.00 C ATOM 982 OE1 GLN A 63 7.452 -15.965 0.697 1.00 0.00 O ATOM 983 NE2 GLN A 63 5.727 -16.464 2.037 1.00 0.00 N ATOM 0 H GLN A 63 5.679 -12.195 2.350 1.00 0.00 H new ATOM 0 HA GLN A 63 7.970 -13.729 1.859 1.00 0.00 H new ATOM 0 HB2 GLN A 63 5.926 -12.466 -0.002 1.00 0.00 H new ATOM 0 HB3 GLN A 63 7.131 -13.629 -0.518 1.00 0.00 H new ATOM 0 HG2 GLN A 63 4.954 -14.114 1.537 1.00 0.00 H new ATOM 0 HG3 GLN A 63 4.953 -14.690 -0.118 1.00 0.00 H new ATOM 0 HE21 GLN A 63 4.808 -16.200 2.394 1.00 0.00 H new ATOM 0 HE22 GLN A 63 6.171 -17.324 2.359 1.00 0.00 H new ATOM 992 N VAL A 64 8.057 -10.638 0.682 1.00 0.00 N ATOM 993 CA VAL A 64 8.968 -9.638 0.130 1.00 0.00 C ATOM 994 C VAL A 64 10.064 -9.277 1.134 1.00 0.00 C ATOM 995 O VAL A 64 11.157 -8.856 0.751 1.00 0.00 O ATOM 996 CB VAL A 64 8.230 -8.362 -0.333 1.00 0.00 C ATOM 997 CG1 VAL A 64 7.696 -7.567 0.847 1.00 0.00 C ATOM 998 CG2 VAL A 64 9.142 -7.503 -1.196 1.00 0.00 C ATOM 0 H VAL A 64 7.111 -10.301 0.860 1.00 0.00 H new ATOM 0 HA VAL A 64 9.428 -10.090 -0.749 1.00 0.00 H new ATOM 0 HB VAL A 64 7.374 -8.671 -0.933 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.183 -6.677 0.484 1.00 0.00 H new ATOM 0 HG12 VAL A 64 6.997 -8.182 1.414 1.00 0.00 H new ATOM 0 HG13 VAL A 64 8.524 -7.271 1.491 1.00 0.00 H new ATOM 0 HG21 VAL A 64 8.606 -6.608 -1.513 1.00 0.00 H new ATOM 0 HG22 VAL A 64 10.021 -7.214 -0.620 1.00 0.00 H new ATOM 0 HG23 VAL A 64 9.453 -8.070 -2.073 1.00 0.00 H new ATOM 1008 N VAL A 65 9.774 -9.460 2.416 1.00 0.00 N ATOM 1009 CA VAL A 65 10.782 -9.277 3.455 1.00 0.00 C ATOM 1010 C VAL A 65 11.813 -10.394 3.360 1.00 0.00 C ATOM 1011 O VAL A 65 12.994 -10.202 3.631 1.00 0.00 O ATOM 1012 CB VAL A 65 10.158 -9.245 4.874 1.00 0.00 C ATOM 1013 CG1 VAL A 65 11.233 -9.248 5.951 1.00 0.00 C ATOM 1014 CG2 VAL A 65 9.270 -8.023 5.033 1.00 0.00 C ATOM 0 H VAL A 65 8.854 -9.734 2.761 1.00 0.00 H new ATOM 0 HA VAL A 65 11.262 -8.312 3.293 1.00 0.00 H new ATOM 0 HB VAL A 65 9.555 -10.145 4.992 1.00 0.00 H new ATOM 0 HG11 VAL A 65 10.763 -9.225 6.934 1.00 0.00 H new ATOM 0 HG12 VAL A 65 11.838 -10.150 5.859 1.00 0.00 H new ATOM 0 HG13 VAL A 65 11.869 -8.371 5.832 1.00 0.00 H new ATOM 0 HG21 VAL A 65 8.839 -8.014 6.034 1.00 0.00 H new ATOM 0 HG22 VAL A 65 9.863 -7.121 4.885 1.00 0.00 H new ATOM 0 HG23 VAL A 65 8.470 -8.056 4.294 1.00 0.00 H new ATOM 1024 N LYS A 66 11.350 -11.564 2.952 1.00 0.00 N ATOM 1025 CA LYS A 66 12.226 -12.703 2.718 1.00 0.00 C ATOM 1026 C LYS A 66 12.906 -12.578 1.351 1.00 0.00 C ATOM 1027 O LYS A 66 14.057 -12.972 1.170 1.00 0.00 O ATOM 1028 CB LYS A 66 11.411 -13.997 2.805 1.00 0.00 C ATOM 1029 CG LYS A 66 10.632 -14.127 4.108 1.00 0.00 C ATOM 1030 CD LYS A 66 9.730 -15.355 4.128 1.00 0.00 C ATOM 1031 CE LYS A 66 10.537 -16.638 4.157 1.00 0.00 C ATOM 1032 NZ LYS A 66 9.681 -17.843 4.332 1.00 0.00 N ATOM 0 H LYS A 66 10.363 -11.752 2.774 1.00 0.00 H new ATOM 0 HA LYS A 66 13.005 -12.725 3.480 1.00 0.00 H new ATOM 0 HB2 LYS A 66 10.715 -14.038 1.967 1.00 0.00 H new ATOM 0 HB3 LYS A 66 12.082 -14.850 2.704 1.00 0.00 H new ATOM 0 HG2 LYS A 66 11.332 -14.180 4.942 1.00 0.00 H new ATOM 0 HG3 LYS A 66 10.027 -13.233 4.256 1.00 0.00 H new ATOM 0 HD2 LYS A 66 9.078 -15.314 5.001 1.00 0.00 H new ATOM 0 HD3 LYS A 66 9.086 -15.349 3.249 1.00 0.00 H new ATOM 0 HE2 LYS A 66 11.103 -16.729 3.230 1.00 0.00 H new ATOM 0 HE3 LYS A 66 11.262 -16.590 4.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 10.278 -18.694 4.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 9.160 -17.771 5.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 9.006 -17.907 3.544 1.00 0.00 H new ATOM 1046 N LEU A 67 12.184 -11.998 0.398 1.00 0.00 N ATOM 1047 CA LEU A 67 12.670 -11.810 -0.968 1.00 0.00 C ATOM 1048 C LEU A 67 13.474 -10.523 -1.108 1.00 0.00 C ATOM 1049 O LEU A 67 13.447 -9.896 -2.162 1.00 0.00 O ATOM 1050 CB LEU A 67 11.504 -11.797 -1.965 1.00 0.00 C ATOM 1051 CG LEU A 67 10.683 -13.089 -2.020 1.00 0.00 C ATOM 1052 CD1 LEU A 67 9.646 -13.014 -3.123 1.00 0.00 C ATOM 1053 CD2 LEU A 67 11.585 -14.296 -2.227 1.00 0.00 C ATOM 0 H LEU A 67 11.240 -11.643 0.550 1.00 0.00 H new ATOM 0 HA LEU A 67 13.326 -12.651 -1.192 1.00 0.00 H new ATOM 0 HB2 LEU A 67 10.838 -10.972 -1.711 1.00 0.00 H new ATOM 0 HB3 LEU A 67 11.899 -11.593 -2.960 1.00 0.00 H new ATOM 0 HG LEU A 67 10.170 -13.204 -1.065 1.00 0.00 H new ATOM 0 HD11 LEU A 67 9.073 -13.941 -3.147 1.00 0.00 H new ATOM 0 HD12 LEU A 67 8.974 -12.176 -2.935 1.00 0.00 H new ATOM 0 HD13 LEU A 67 10.144 -12.871 -4.082 1.00 0.00 H new ATOM 0 HD21 LEU A 67 10.979 -15.201 -2.263 1.00 0.00 H new ATOM 0 HD22 LEU A 67 12.130 -14.187 -3.165 1.00 0.00 H new ATOM 0 HD23 LEU A 67 12.294 -14.366 -1.402 1.00 0.00 H new ATOM 1065 N LYS A 68 14.134 -10.129 -0.022 1.00 0.00 N ATOM 1066 CA LYS A 68 14.944 -8.906 0.047 1.00 0.00 C ATOM 1067 C LYS A 68 15.534 -8.476 -1.294 1.00 0.00 C ATOM 1068 O LYS A 68 16.439 -9.116 -1.833 1.00 0.00 O ATOM 1069 CB LYS A 68 16.070 -9.103 1.050 1.00 0.00 C ATOM 1070 CG LYS A 68 15.565 -9.353 2.447 1.00 0.00 C ATOM 1071 CD LYS A 68 16.687 -9.624 3.427 1.00 0.00 C ATOM 1072 CE LYS A 68 16.118 -9.889 4.804 1.00 0.00 C ATOM 1073 NZ LYS A 68 17.158 -10.328 5.769 1.00 0.00 N ATOM 0 H LYS A 68 14.124 -10.656 0.851 1.00 0.00 H new ATOM 0 HA LYS A 68 14.270 -8.108 0.358 1.00 0.00 H new ATOM 0 HB2 LYS A 68 16.689 -9.944 0.736 1.00 0.00 H new ATOM 0 HB3 LYS A 68 16.709 -8.220 1.051 1.00 0.00 H new ATOM 0 HG2 LYS A 68 14.993 -8.488 2.784 1.00 0.00 H new ATOM 0 HG3 LYS A 68 14.882 -10.202 2.437 1.00 0.00 H new ATOM 0 HD2 LYS A 68 17.272 -10.482 3.095 1.00 0.00 H new ATOM 0 HD3 LYS A 68 17.364 -8.771 3.462 1.00 0.00 H new ATOM 0 HE2 LYS A 68 15.639 -8.984 5.177 1.00 0.00 H new ATOM 0 HE3 LYS A 68 15.345 -10.654 4.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 16.721 -10.497 6.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 17.599 -11.206 5.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 17.884 -9.588 5.858 1.00 0.00 H new ATOM 1087 N GLY A 69 14.991 -7.391 -1.823 1.00 0.00 N ATOM 1088 CA GLY A 69 15.520 -6.803 -3.037 1.00 0.00 C ATOM 1089 C GLY A 69 14.637 -7.046 -4.241 1.00 0.00 C ATOM 1090 O GLY A 69 14.697 -6.303 -5.224 1.00 0.00 O ATOM 0 H GLY A 69 14.186 -6.903 -1.430 1.00 0.00 H new ATOM 0 HA2 GLY A 69 15.641 -5.729 -2.892 1.00 0.00 H new ATOM 0 HA3 GLY A 69 16.511 -7.212 -3.231 1.00 0.00 H new ATOM 1094 N GLN A 70 13.805 -8.075 -4.165 1.00 0.00 N ATOM 1095 CA GLN A 70 12.967 -8.467 -5.281 1.00 0.00 C ATOM 1096 C GLN A 70 11.621 -7.759 -5.209 1.00 0.00 C ATOM 1097 O GLN A 70 11.039 -7.624 -4.131 1.00 0.00 O ATOM 1098 CB GLN A 70 12.762 -9.983 -5.273 1.00 0.00 C ATOM 1099 CG GLN A 70 14.059 -10.778 -5.254 1.00 0.00 C ATOM 1100 CD GLN A 70 14.914 -10.537 -6.484 1.00 0.00 C ATOM 1101 OE1 GLN A 70 15.728 -9.614 -6.519 1.00 0.00 O ATOM 1102 NE2 GLN A 70 14.754 -11.382 -7.489 1.00 0.00 N ATOM 0 H GLN A 70 13.695 -8.655 -3.333 1.00 0.00 H new ATOM 0 HA GLN A 70 13.463 -8.179 -6.208 1.00 0.00 H new ATOM 0 HB2 GLN A 70 12.167 -10.255 -4.401 1.00 0.00 H new ATOM 0 HB3 GLN A 70 12.186 -10.267 -6.153 1.00 0.00 H new ATOM 0 HG2 GLN A 70 14.629 -10.514 -4.363 1.00 0.00 H new ATOM 0 HG3 GLN A 70 13.828 -11.841 -5.180 1.00 0.00 H new ATOM 0 HE21 GLN A 70 14.068 -12.134 -7.419 1.00 0.00 H new ATOM 0 HE22 GLN A 70 15.317 -11.282 -8.334 1.00 0.00 H new ATOM 1111 N VAL A 71 11.139 -7.293 -6.353 1.00 0.00 N ATOM 1112 CA VAL A 71 9.838 -6.649 -6.422 1.00 0.00 C ATOM 1113 C VAL A 71 8.727 -7.697 -6.396 1.00 0.00 C ATOM 1114 O VAL A 71 8.706 -8.625 -7.210 1.00 0.00 O ATOM 1115 CB VAL A 71 9.710 -5.748 -7.681 1.00 0.00 C ATOM 1116 CG1 VAL A 71 9.973 -6.533 -8.958 1.00 0.00 C ATOM 1117 CG2 VAL A 71 8.341 -5.082 -7.735 1.00 0.00 C ATOM 0 H VAL A 71 11.631 -7.350 -7.245 1.00 0.00 H new ATOM 0 HA VAL A 71 9.738 -6.005 -5.548 1.00 0.00 H new ATOM 0 HB VAL A 71 10.470 -4.970 -7.605 1.00 0.00 H new ATOM 0 HG11 VAL A 71 9.875 -5.871 -9.819 1.00 0.00 H new ATOM 0 HG12 VAL A 71 10.982 -6.945 -8.930 1.00 0.00 H new ATOM 0 HG13 VAL A 71 9.251 -7.345 -9.041 1.00 0.00 H new ATOM 0 HG21 VAL A 71 8.276 -4.456 -8.625 1.00 0.00 H new ATOM 0 HG22 VAL A 71 7.565 -5.847 -7.771 1.00 0.00 H new ATOM 0 HG23 VAL A 71 8.201 -4.465 -6.847 1.00 0.00 H new ATOM 1127 N LEU A 72 7.815 -7.559 -5.449 1.00 0.00 N ATOM 1128 CA LEU A 72 6.751 -8.534 -5.282 1.00 0.00 C ATOM 1129 C LEU A 72 5.397 -7.841 -5.335 1.00 0.00 C ATOM 1130 O LEU A 72 5.065 -7.055 -4.454 1.00 0.00 O ATOM 1131 CB LEU A 72 6.920 -9.265 -3.946 1.00 0.00 C ATOM 1132 CG LEU A 72 6.230 -10.621 -3.863 1.00 0.00 C ATOM 1133 CD1 LEU A 72 6.915 -11.608 -4.792 1.00 0.00 C ATOM 1134 CD2 LEU A 72 6.236 -11.138 -2.434 1.00 0.00 C ATOM 0 H LEU A 72 7.790 -6.784 -4.786 1.00 0.00 H new ATOM 0 HA LEU A 72 6.804 -9.262 -6.092 1.00 0.00 H new ATOM 0 HB2 LEU A 72 7.984 -9.403 -3.757 1.00 0.00 H new ATOM 0 HB3 LEU A 72 6.535 -8.629 -3.149 1.00 0.00 H new ATOM 0 HG LEU A 72 5.192 -10.506 -4.176 1.00 0.00 H new ATOM 0 HD11 LEU A 72 6.416 -12.575 -4.727 1.00 0.00 H new ATOM 0 HD12 LEU A 72 6.862 -11.240 -5.817 1.00 0.00 H new ATOM 0 HD13 LEU A 72 7.959 -11.718 -4.500 1.00 0.00 H new ATOM 0 HD21 LEU A 72 5.739 -12.107 -2.396 1.00 0.00 H new ATOM 0 HD22 LEU A 72 7.265 -11.244 -2.090 1.00 0.00 H new ATOM 0 HD23 LEU A 72 5.709 -10.434 -1.790 1.00 0.00 H new ATOM 1146 N SER A 73 4.611 -8.143 -6.354 1.00 0.00 N ATOM 1147 CA SER A 73 3.339 -7.465 -6.556 1.00 0.00 C ATOM 1148 C SER A 73 2.178 -8.314 -6.048 1.00 0.00 C ATOM 1149 O SER A 73 1.954 -9.433 -6.514 1.00 0.00 O ATOM 1150 CB SER A 73 3.157 -7.143 -8.041 1.00 0.00 C ATOM 1151 OG SER A 73 4.270 -6.422 -8.550 1.00 0.00 O ATOM 0 H SER A 73 4.829 -8.852 -7.054 1.00 0.00 H new ATOM 0 HA SER A 73 3.346 -6.536 -5.986 1.00 0.00 H new ATOM 0 HB2 SER A 73 3.031 -8.068 -8.604 1.00 0.00 H new ATOM 0 HB3 SER A 73 2.247 -6.559 -8.180 1.00 0.00 H new ATOM 0 HG SER A 73 4.177 -5.473 -8.323 1.00 0.00 H new ATOM 1157 N VAL A 74 1.431 -7.754 -5.109 1.00 0.00 N ATOM 1158 CA VAL A 74 0.300 -8.434 -4.504 1.00 0.00 C ATOM 1159 C VAL A 74 -0.977 -7.680 -4.777 1.00 0.00 C ATOM 1160 O VAL A 74 -1.027 -6.450 -4.737 1.00 0.00 O ATOM 1161 CB VAL A 74 0.500 -8.625 -2.979 1.00 0.00 C ATOM 1162 CG1 VAL A 74 0.716 -7.288 -2.284 1.00 0.00 C ATOM 1163 CG2 VAL A 74 -0.677 -9.365 -2.359 1.00 0.00 C ATOM 0 H VAL A 74 1.593 -6.815 -4.746 1.00 0.00 H new ATOM 0 HA VAL A 74 0.228 -9.423 -4.956 1.00 0.00 H new ATOM 0 HB VAL A 74 1.395 -9.231 -2.838 1.00 0.00 H new ATOM 0 HG11 VAL A 74 0.854 -7.452 -1.215 1.00 0.00 H new ATOM 0 HG12 VAL A 74 1.602 -6.804 -2.694 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -0.153 -6.650 -2.444 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -0.509 -9.484 -1.289 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -1.592 -8.795 -2.521 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -0.775 -10.347 -2.823 1.00 0.00 H new ATOM 1173 N MET A 75 -1.999 -8.440 -5.086 1.00 0.00 N ATOM 1174 CA MET A 75 -3.268 -7.889 -5.478 1.00 0.00 C ATOM 1175 C MET A 75 -4.294 -8.049 -4.356 1.00 0.00 C ATOM 1176 O MET A 75 -4.474 -9.139 -3.818 1.00 0.00 O ATOM 1177 CB MET A 75 -3.742 -8.582 -6.748 1.00 0.00 C ATOM 1178 CG MET A 75 -4.880 -7.863 -7.410 1.00 0.00 C ATOM 1179 SD MET A 75 -5.582 -8.783 -8.793 1.00 0.00 S ATOM 1180 CE MET A 75 -6.810 -7.623 -9.390 1.00 0.00 C ATOM 0 H MET A 75 -1.972 -9.460 -5.072 1.00 0.00 H new ATOM 0 HA MET A 75 -3.155 -6.823 -5.673 1.00 0.00 H new ATOM 0 HB2 MET A 75 -2.910 -8.658 -7.448 1.00 0.00 H new ATOM 0 HB3 MET A 75 -4.051 -9.599 -6.508 1.00 0.00 H new ATOM 0 HG2 MET A 75 -5.660 -7.673 -6.673 1.00 0.00 H new ATOM 0 HG3 MET A 75 -4.533 -6.893 -7.765 1.00 0.00 H new ATOM 0 HE1 MET A 75 -7.808 -8.012 -9.187 1.00 0.00 H new ATOM 0 HE2 MET A 75 -6.684 -6.666 -8.883 1.00 0.00 H new ATOM 0 HE3 MET A 75 -6.687 -7.483 -10.464 1.00 0.00 H new ATOM 1190 N PHE A 76 -4.959 -6.953 -4.020 1.00 0.00 N ATOM 1191 CA PHE A 76 -5.923 -6.928 -2.924 1.00 0.00 C ATOM 1192 C PHE A 76 -6.950 -5.831 -3.177 1.00 0.00 C ATOM 1193 O PHE A 76 -6.870 -5.125 -4.188 1.00 0.00 O ATOM 1194 CB PHE A 76 -5.210 -6.693 -1.591 1.00 0.00 C ATOM 1195 CG PHE A 76 -4.551 -5.349 -1.484 1.00 0.00 C ATOM 1196 CD1 PHE A 76 -3.355 -5.093 -2.133 1.00 0.00 C ATOM 1197 CD2 PHE A 76 -5.130 -4.343 -0.732 1.00 0.00 C ATOM 1198 CE1 PHE A 76 -2.752 -3.859 -2.037 1.00 0.00 C ATOM 1199 CE2 PHE A 76 -4.530 -3.105 -0.631 1.00 0.00 C ATOM 1200 CZ PHE A 76 -3.339 -2.863 -1.284 1.00 0.00 C ATOM 0 H PHE A 76 -4.848 -6.058 -4.496 1.00 0.00 H new ATOM 0 HA PHE A 76 -6.432 -7.891 -2.873 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -5.931 -6.799 -0.781 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -4.457 -7.468 -1.451 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -2.890 -5.870 -2.721 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -6.062 -4.529 -0.218 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -1.821 -3.671 -2.550 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -4.992 -2.327 -0.042 1.00 0.00 H new ATOM 0 HZ PHE A 76 -2.867 -1.895 -1.206 1.00 0.00 H new ATOM 1210 N ARG A 77 -7.920 -5.687 -2.280 1.00 0.00 N ATOM 1211 CA ARG A 77 -8.935 -4.661 -2.432 1.00 0.00 C ATOM 1212 C ARG A 77 -8.692 -3.521 -1.450 1.00 0.00 C ATOM 1213 O ARG A 77 -8.858 -3.688 -0.240 1.00 0.00 O ATOM 1214 CB ARG A 77 -10.325 -5.255 -2.210 1.00 0.00 C ATOM 1215 CG ARG A 77 -10.531 -6.587 -2.905 1.00 0.00 C ATOM 1216 CD ARG A 77 -11.910 -7.154 -2.624 1.00 0.00 C ATOM 1217 NE ARG A 77 -11.951 -8.601 -2.796 1.00 0.00 N ATOM 1218 CZ ARG A 77 -12.829 -9.233 -3.576 1.00 0.00 C ATOM 1219 NH1 ARG A 77 -13.719 -8.547 -4.283 1.00 0.00 N ATOM 1220 NH2 ARG A 77 -12.819 -10.555 -3.654 1.00 0.00 N ATOM 0 H ARG A 77 -8.021 -6.266 -1.446 1.00 0.00 H new ATOM 0 HA ARG A 77 -8.877 -4.266 -3.446 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -10.490 -5.383 -1.140 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -11.075 -4.548 -2.566 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -10.400 -6.462 -3.980 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -9.771 -7.294 -2.572 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -12.205 -6.901 -1.606 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -12.636 -6.689 -3.291 1.00 0.00 H new ATOM 0 HE ARG A 77 -11.267 -9.164 -2.290 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -13.735 -7.528 -4.232 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -14.387 -9.039 -4.877 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -12.139 -11.092 -3.117 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -13.492 -11.036 -4.251 1.00 0.00 H new ATOM 1234 N PHE A 78 -8.297 -2.365 -1.972 1.00 0.00 N ATOM 1235 CA PHE A 78 -8.029 -1.201 -1.138 1.00 0.00 C ATOM 1236 C PHE A 78 -9.326 -0.452 -0.870 1.00 0.00 C ATOM 1237 O PHE A 78 -10.144 -0.266 -1.776 1.00 0.00 O ATOM 1238 CB PHE A 78 -7.040 -0.268 -1.838 1.00 0.00 C ATOM 1239 CG PHE A 78 -6.214 0.583 -0.903 1.00 0.00 C ATOM 1240 CD1 PHE A 78 -6.771 1.663 -0.231 1.00 0.00 C ATOM 1241 CD2 PHE A 78 -4.870 0.306 -0.707 1.00 0.00 C ATOM 1242 CE1 PHE A 78 -6.003 2.444 0.615 1.00 0.00 C ATOM 1243 CE2 PHE A 78 -4.099 1.084 0.135 1.00 0.00 C ATOM 1244 CZ PHE A 78 -4.665 2.153 0.797 1.00 0.00 C ATOM 0 H PHE A 78 -8.155 -2.210 -2.970 1.00 0.00 H new ATOM 0 HA PHE A 78 -7.598 -1.536 -0.194 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -6.368 -0.867 -2.453 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -7.592 0.386 -2.513 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -7.816 1.896 -0.370 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -4.419 -0.530 -1.220 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -6.449 3.280 1.132 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -3.053 0.855 0.275 1.00 0.00 H new ATOM 0 HZ PHE A 78 -4.064 2.761 1.456 1.00 0.00 H new ATOM 1254 N ARG A 79 -9.519 -0.031 0.366 1.00 0.00 N ATOM 1255 CA ARG A 79 -10.712 0.709 0.725 1.00 0.00 C ATOM 1256 C ARG A 79 -10.562 2.190 0.392 1.00 0.00 C ATOM 1257 O ARG A 79 -9.800 2.911 1.028 1.00 0.00 O ATOM 1258 CB ARG A 79 -11.022 0.532 2.206 1.00 0.00 C ATOM 1259 CG ARG A 79 -12.475 0.797 2.559 1.00 0.00 C ATOM 1260 CD ARG A 79 -12.715 0.591 4.041 1.00 0.00 C ATOM 1261 NE ARG A 79 -14.123 0.365 4.374 1.00 0.00 N ATOM 1262 CZ ARG A 79 -14.561 0.159 5.622 1.00 0.00 C ATOM 1263 NH1 ARG A 79 -13.725 0.260 6.646 1.00 0.00 N ATOM 1264 NH2 ARG A 79 -15.838 -0.122 5.848 1.00 0.00 N ATOM 0 H ARG A 79 -8.867 -0.188 1.135 1.00 0.00 H new ATOM 0 HA ARG A 79 -11.542 0.312 0.140 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -10.764 -0.484 2.504 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -10.388 1.204 2.784 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -12.741 1.817 2.281 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -13.120 0.132 1.986 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -12.127 -0.261 4.382 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -12.356 1.465 4.585 1.00 0.00 H new ATOM 0 HE ARG A 79 -14.805 0.365 3.616 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -12.746 0.495 6.484 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -14.061 0.103 7.596 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -16.493 -0.182 5.068 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -16.165 -0.278 6.802 1.00 0.00 H new ATOM 1278 N SER A 80 -11.256 2.605 -0.654 1.00 0.00 N ATOM 1279 CA SER A 80 -11.411 4.014 -1.009 1.00 0.00 C ATOM 1280 C SER A 80 -11.951 4.827 0.177 1.00 0.00 C ATOM 1281 O SER A 80 -12.455 4.263 1.143 1.00 0.00 O ATOM 1282 CB SER A 80 -12.382 4.106 -2.192 1.00 0.00 C ATOM 1283 OG SER A 80 -12.724 5.448 -2.502 1.00 0.00 O ATOM 0 H SER A 80 -11.735 1.969 -1.291 1.00 0.00 H new ATOM 0 HA SER A 80 -10.439 4.428 -1.278 1.00 0.00 H new ATOM 0 HB2 SER A 80 -11.932 3.636 -3.067 1.00 0.00 H new ATOM 0 HB3 SER A 80 -13.288 3.546 -1.960 1.00 0.00 H new ATOM 0 HG SER A 80 -11.921 6.008 -2.462 1.00 0.00 H new ATOM 1289 N LYS A 81 -11.880 6.159 0.084 1.00 0.00 N ATOM 1290 CA LYS A 81 -12.417 7.050 1.119 1.00 0.00 C ATOM 1291 C LYS A 81 -13.941 6.914 1.201 1.00 0.00 C ATOM 1292 O LYS A 81 -14.574 7.377 2.146 1.00 0.00 O ATOM 1293 CB LYS A 81 -12.044 8.508 0.822 1.00 0.00 C ATOM 1294 CG LYS A 81 -12.410 9.478 1.942 1.00 0.00 C ATOM 1295 CD LYS A 81 -11.538 9.266 3.168 1.00 0.00 C ATOM 1296 CE LYS A 81 -12.061 10.028 4.378 1.00 0.00 C ATOM 1297 NZ LYS A 81 -13.329 9.447 4.895 1.00 0.00 N ATOM 0 H LYS A 81 -11.453 6.647 -0.703 1.00 0.00 H new ATOM 0 HA LYS A 81 -11.981 6.762 2.076 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -10.971 8.569 0.638 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -12.543 8.821 -0.095 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -12.299 10.503 1.588 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -13.458 9.346 2.212 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -11.493 8.202 3.401 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -10.520 9.588 2.949 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -11.309 10.017 5.167 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -12.224 11.071 4.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -13.544 9.857 5.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -14.104 9.661 4.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -13.227 8.416 4.986 1.00 0.00 H new ATOM 1311 N ASN A 82 -14.506 6.222 0.222 1.00 0.00 N ATOM 1312 CA ASN A 82 -15.939 5.984 0.156 1.00 0.00 C ATOM 1313 C ASN A 82 -16.220 4.685 0.875 1.00 0.00 C ATOM 1314 O ASN A 82 -17.361 4.234 0.977 1.00 0.00 O ATOM 1315 CB ASN A 82 -16.410 5.877 -1.299 1.00 0.00 C ATOM 1316 CG ASN A 82 -16.146 7.136 -2.103 1.00 0.00 C ATOM 1317 OD1 ASN A 82 -16.985 8.035 -2.163 1.00 0.00 O ATOM 1318 ND2 ASN A 82 -14.983 7.202 -2.743 1.00 0.00 N ATOM 0 H ASN A 82 -13.982 5.809 -0.550 1.00 0.00 H new ATOM 0 HA ASN A 82 -16.472 6.814 0.620 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -15.908 5.036 -1.777 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -17.478 5.661 -1.314 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -14.759 8.020 -3.310 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -14.315 6.435 -2.667 1.00 0.00 H new ATOM 1325 N GLN A 83 -15.126 4.086 1.346 1.00 0.00 N ATOM 1326 CA GLN A 83 -15.141 2.837 2.077 1.00 0.00 C ATOM 1327 C GLN A 83 -15.601 1.695 1.187 1.00 0.00 C ATOM 1328 O GLN A 83 -16.147 0.696 1.651 1.00 0.00 O ATOM 1329 CB GLN A 83 -15.971 2.971 3.344 1.00 0.00 C ATOM 1330 CG GLN A 83 -15.458 4.085 4.251 1.00 0.00 C ATOM 1331 CD GLN A 83 -13.994 3.937 4.616 1.00 0.00 C ATOM 1332 OE1 GLN A 83 -13.653 3.287 5.600 1.00 0.00 O ATOM 1333 NE2 GLN A 83 -13.121 4.567 3.848 1.00 0.00 N ATOM 0 H GLN A 83 -14.189 4.471 1.223 1.00 0.00 H new ATOM 0 HA GLN A 83 -14.125 2.595 2.389 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -17.009 3.170 3.077 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -15.957 2.026 3.888 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -15.606 5.044 3.755 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -16.053 4.103 5.164 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -13.443 5.097 3.038 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -12.125 4.523 4.065 1.00 0.00 H new ATOM 1342 N GLU A 84 -15.348 1.865 -0.103 1.00 0.00 N ATOM 1343 CA GLU A 84 -15.551 0.811 -1.074 1.00 0.00 C ATOM 1344 C GLU A 84 -14.274 0.019 -1.236 1.00 0.00 C ATOM 1345 O GLU A 84 -13.199 0.482 -0.859 1.00 0.00 O ATOM 1346 CB GLU A 84 -15.966 1.380 -2.425 1.00 0.00 C ATOM 1347 CG GLU A 84 -17.424 1.780 -2.505 1.00 0.00 C ATOM 1348 CD GLU A 84 -18.359 0.629 -2.204 1.00 0.00 C ATOM 1349 OE1 GLU A 84 -18.521 -0.250 -3.073 1.00 0.00 O ATOM 1350 OE2 GLU A 84 -18.943 0.602 -1.101 1.00 0.00 O ATOM 0 H GLU A 84 -14.997 2.737 -0.500 1.00 0.00 H new ATOM 0 HA GLU A 84 -16.350 0.164 -0.712 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -15.349 2.251 -2.646 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -15.760 0.639 -3.198 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -17.614 2.591 -1.802 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -17.637 2.166 -3.502 1.00 0.00 H new ATOM 1357 N TRP A 85 -14.388 -1.148 -1.826 1.00 0.00 N ATOM 1358 CA TRP A 85 -13.270 -2.055 -1.921 1.00 0.00 C ATOM 1359 C TRP A 85 -12.909 -2.304 -3.379 1.00 0.00 C ATOM 1360 O TRP A 85 -13.407 -3.241 -4.005 1.00 0.00 O ATOM 1361 CB TRP A 85 -13.631 -3.367 -1.228 1.00 0.00 C ATOM 1362 CG TRP A 85 -14.065 -3.194 0.200 1.00 0.00 C ATOM 1363 CD1 TRP A 85 -15.348 -3.094 0.660 1.00 0.00 C ATOM 1364 CD2 TRP A 85 -13.221 -3.107 1.352 1.00 0.00 C ATOM 1365 NE1 TRP A 85 -15.348 -2.950 2.026 1.00 0.00 N ATOM 1366 CE2 TRP A 85 -14.058 -2.958 2.473 1.00 0.00 C ATOM 1367 CE3 TRP A 85 -11.839 -3.144 1.546 1.00 0.00 C ATOM 1368 CZ2 TRP A 85 -13.560 -2.847 3.766 1.00 0.00 C ATOM 1369 CZ3 TRP A 85 -11.348 -3.032 2.831 1.00 0.00 C ATOM 1370 CH2 TRP A 85 -12.205 -2.887 3.926 1.00 0.00 C ATOM 0 H TRP A 85 -15.250 -1.492 -2.250 1.00 0.00 H new ATOM 0 HA TRP A 85 -12.403 -1.613 -1.430 1.00 0.00 H new ATOM 0 HB2 TRP A 85 -14.431 -3.854 -1.785 1.00 0.00 H new ATOM 0 HB3 TRP A 85 -12.769 -4.033 -1.259 1.00 0.00 H new ATOM 0 HD1 TRP A 85 -16.232 -3.124 0.040 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -16.177 -2.853 2.612 1.00 0.00 H new ATOM 0 HE3 TRP A 85 -11.168 -3.258 0.708 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 -14.221 -2.733 4.613 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 -10.281 -3.057 2.994 1.00 0.00 H new ATOM 0 HH2 TRP A 85 -11.787 -2.805 4.918 1.00 0.00 H new ATOM 1381 N LEU A 86 -12.046 -1.456 -3.917 1.00 0.00 N ATOM 1382 CA LEU A 86 -11.626 -1.567 -5.307 1.00 0.00 C ATOM 1383 C LEU A 86 -10.346 -2.370 -5.410 1.00 0.00 C ATOM 1384 O LEU A 86 -9.689 -2.635 -4.409 1.00 0.00 O ATOM 1385 CB LEU A 86 -11.450 -0.177 -5.929 1.00 0.00 C ATOM 1386 CG LEU A 86 -10.817 0.886 -5.022 1.00 0.00 C ATOM 1387 CD1 LEU A 86 -9.305 0.733 -4.969 1.00 0.00 C ATOM 1388 CD2 LEU A 86 -11.200 2.279 -5.489 1.00 0.00 C ATOM 0 H LEU A 86 -11.621 -0.680 -3.410 1.00 0.00 H new ATOM 0 HA LEU A 86 -12.403 -2.091 -5.863 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -10.836 -0.276 -6.824 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -12.427 0.183 -6.251 1.00 0.00 H new ATOM 0 HG LEU A 86 -11.202 0.741 -4.013 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -8.884 1.500 -4.319 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -9.053 -0.253 -4.578 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -8.893 0.842 -5.972 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -10.742 3.021 -4.834 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -10.849 2.430 -6.510 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -12.284 2.388 -5.459 1.00 0.00 H new ATOM 1400 N TRP A 87 -9.985 -2.742 -6.623 1.00 0.00 N ATOM 1401 CA TRP A 87 -8.824 -3.585 -6.832 1.00 0.00 C ATOM 1402 C TRP A 87 -7.571 -2.749 -6.987 1.00 0.00 C ATOM 1403 O TRP A 87 -7.541 -1.775 -7.742 1.00 0.00 O ATOM 1404 CB TRP A 87 -9.004 -4.480 -8.060 1.00 0.00 C ATOM 1405 CG TRP A 87 -9.992 -5.584 -7.862 1.00 0.00 C ATOM 1406 CD1 TRP A 87 -11.262 -5.645 -8.354 1.00 0.00 C ATOM 1407 CD2 TRP A 87 -9.788 -6.793 -7.121 1.00 0.00 C ATOM 1408 NE1 TRP A 87 -11.858 -6.824 -7.970 1.00 0.00 N ATOM 1409 CE2 TRP A 87 -10.974 -7.542 -7.207 1.00 0.00 C ATOM 1410 CE3 TRP A 87 -8.714 -7.312 -6.389 1.00 0.00 C ATOM 1411 CZ2 TRP A 87 -11.115 -8.785 -6.597 1.00 0.00 C ATOM 1412 CZ3 TRP A 87 -8.854 -8.545 -5.784 1.00 0.00 C ATOM 1413 CH2 TRP A 87 -10.048 -9.269 -5.889 1.00 0.00 C ATOM 0 H TRP A 87 -10.477 -2.475 -7.476 1.00 0.00 H new ATOM 0 HA TRP A 87 -8.719 -4.220 -5.952 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -9.323 -3.866 -8.902 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -8.040 -4.912 -8.328 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -11.731 -4.881 -8.956 1.00 0.00 H new ATOM 0 HE1 TRP A 87 -12.804 -7.116 -8.214 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -7.792 -6.758 -6.299 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -12.033 -9.348 -6.679 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -8.030 -8.958 -5.221 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -10.129 -10.229 -5.401 1.00 0.00 H new ATOM 1424 N MET A 88 -6.546 -3.116 -6.252 1.00 0.00 N ATOM 1425 CA MET A 88 -5.249 -2.493 -6.397 1.00 0.00 C ATOM 1426 C MET A 88 -4.155 -3.539 -6.253 1.00 0.00 C ATOM 1427 O MET A 88 -4.196 -4.365 -5.341 1.00 0.00 O ATOM 1428 CB MET A 88 -5.081 -1.382 -5.354 1.00 0.00 C ATOM 1429 CG MET A 88 -3.666 -0.847 -5.245 1.00 0.00 C ATOM 1430 SD MET A 88 -3.589 0.947 -5.410 1.00 0.00 S ATOM 1431 CE MET A 88 -4.607 1.468 -4.034 1.00 0.00 C ATOM 0 H MET A 88 -6.586 -3.848 -5.543 1.00 0.00 H new ATOM 0 HA MET A 88 -5.172 -2.047 -7.388 1.00 0.00 H new ATOM 0 HB2 MET A 88 -5.751 -0.559 -5.603 1.00 0.00 H new ATOM 0 HB3 MET A 88 -5.391 -1.762 -4.380 1.00 0.00 H new ATOM 0 HG2 MET A 88 -3.244 -1.138 -4.283 1.00 0.00 H new ATOM 0 HG3 MET A 88 -3.047 -1.306 -6.016 1.00 0.00 H new ATOM 0 HE1 MET A 88 -5.498 1.971 -4.410 1.00 0.00 H new ATOM 0 HE2 MET A 88 -4.902 0.597 -3.449 1.00 0.00 H new ATOM 0 HE3 MET A 88 -4.042 2.154 -3.403 1.00 0.00 H new ATOM 1441 N ARG A 89 -3.200 -3.530 -7.167 1.00 0.00 N ATOM 1442 CA ARG A 89 -2.062 -4.419 -7.047 1.00 0.00 C ATOM 1443 C ARG A 89 -0.837 -3.618 -6.664 1.00 0.00 C ATOM 1444 O ARG A 89 -0.335 -2.802 -7.434 1.00 0.00 O ATOM 1445 CB ARG A 89 -1.805 -5.218 -8.325 1.00 0.00 C ATOM 1446 CG ARG A 89 -0.787 -6.331 -8.117 1.00 0.00 C ATOM 1447 CD ARG A 89 -0.652 -7.234 -9.330 1.00 0.00 C ATOM 1448 NE ARG A 89 0.197 -8.395 -9.044 1.00 0.00 N ATOM 1449 CZ ARG A 89 0.971 -9.003 -9.944 1.00 0.00 C ATOM 1450 NH1 ARG A 89 0.978 -8.601 -11.206 1.00 0.00 N ATOM 1451 NH2 ARG A 89 1.729 -10.029 -9.574 1.00 0.00 N ATOM 0 H ARG A 89 -3.190 -2.926 -7.989 1.00 0.00 H new ATOM 0 HA ARG A 89 -2.288 -5.146 -6.267 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -2.743 -5.648 -8.677 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -1.450 -4.545 -9.106 1.00 0.00 H new ATOM 0 HG2 ARG A 89 0.184 -5.892 -7.886 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -1.080 -6.929 -7.254 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -1.639 -7.573 -9.645 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -0.229 -6.669 -10.161 1.00 0.00 H new ATOM 0 HE ARG A 89 0.195 -8.762 -8.092 1.00 0.00 H new ATOM 0 HH11 ARG A 89 0.388 -7.821 -11.496 1.00 0.00 H new ATOM 0 HH12 ARG A 89 1.573 -9.072 -11.888 1.00 0.00 H new ATOM 0 HH21 ARG A 89 1.717 -10.349 -8.605 1.00 0.00 H new ATOM 0 HH22 ARG A 89 2.323 -10.497 -10.258 1.00 0.00 H new ATOM 1465 N THR A 90 -0.390 -3.842 -5.454 1.00 0.00 N ATOM 1466 CA THR A 90 0.732 -3.120 -4.904 1.00 0.00 C ATOM 1467 C THR A 90 2.024 -3.915 -5.065 1.00 0.00 C ATOM 1468 O THR A 90 2.090 -5.096 -4.726 1.00 0.00 O ATOM 1469 CB THR A 90 0.491 -2.809 -3.415 1.00 0.00 C ATOM 1470 OG1 THR A 90 -0.701 -2.026 -3.280 1.00 0.00 O ATOM 1471 CG2 THR A 90 1.668 -2.064 -2.801 1.00 0.00 C ATOM 0 H THR A 90 -0.794 -4.532 -4.820 1.00 0.00 H new ATOM 0 HA THR A 90 0.831 -2.183 -5.453 1.00 0.00 H new ATOM 0 HB THR A 90 0.380 -3.754 -2.883 1.00 0.00 H new ATOM 0 HG1 THR A 90 -0.474 -1.145 -2.916 1.00 0.00 H new ATOM 0 HG21 THR A 90 1.462 -1.862 -1.750 1.00 0.00 H new ATOM 0 HG22 THR A 90 2.568 -2.674 -2.884 1.00 0.00 H new ATOM 0 HG23 THR A 90 1.818 -1.122 -3.329 1.00 0.00 H new ATOM 1479 N SER A 91 3.045 -3.256 -5.585 1.00 0.00 N ATOM 1480 CA SER A 91 4.352 -3.864 -5.739 1.00 0.00 C ATOM 1481 C SER A 91 5.216 -3.505 -4.542 1.00 0.00 C ATOM 1482 O SER A 91 5.332 -2.332 -4.179 1.00 0.00 O ATOM 1483 CB SER A 91 5.006 -3.393 -7.038 1.00 0.00 C ATOM 1484 OG SER A 91 4.191 -3.706 -8.156 1.00 0.00 O ATOM 0 H SER A 91 2.991 -2.291 -5.910 1.00 0.00 H new ATOM 0 HA SER A 91 4.245 -4.948 -5.789 1.00 0.00 H new ATOM 0 HB2 SER A 91 5.175 -2.317 -6.996 1.00 0.00 H new ATOM 0 HB3 SER A 91 5.982 -3.865 -7.151 1.00 0.00 H new ATOM 0 HG SER A 91 4.627 -3.395 -8.976 1.00 0.00 H new ATOM 1490 N SER A 92 5.799 -4.510 -3.918 1.00 0.00 N ATOM 1491 CA SER A 92 6.581 -4.301 -2.722 1.00 0.00 C ATOM 1492 C SER A 92 8.063 -4.361 -3.034 1.00 0.00 C ATOM 1493 O SER A 92 8.489 -4.964 -4.021 1.00 0.00 O ATOM 1494 CB SER A 92 6.241 -5.342 -1.653 1.00 0.00 C ATOM 1495 OG SER A 92 6.774 -4.971 -0.400 1.00 0.00 O ATOM 0 H SER A 92 5.744 -5.482 -4.223 1.00 0.00 H new ATOM 0 HA SER A 92 6.336 -3.311 -2.338 1.00 0.00 H new ATOM 0 HB2 SER A 92 5.159 -5.449 -1.575 1.00 0.00 H new ATOM 0 HB3 SER A 92 6.637 -6.314 -1.948 1.00 0.00 H new ATOM 0 HG SER A 92 6.046 -4.871 0.249 1.00 0.00 H new ATOM 1501 N PHE A 93 8.823 -3.729 -2.174 1.00 0.00 N ATOM 1502 CA PHE A 93 10.267 -3.727 -2.246 1.00 0.00 C ATOM 1503 C PHE A 93 10.814 -3.550 -0.844 1.00 0.00 C ATOM 1504 O PHE A 93 10.314 -2.726 -0.084 1.00 0.00 O ATOM 1505 CB PHE A 93 10.758 -2.594 -3.149 1.00 0.00 C ATOM 1506 CG PHE A 93 12.250 -2.385 -3.109 1.00 0.00 C ATOM 1507 CD1 PHE A 93 13.095 -3.167 -3.877 1.00 0.00 C ATOM 1508 CD2 PHE A 93 12.806 -1.414 -2.288 1.00 0.00 C ATOM 1509 CE1 PHE A 93 14.465 -2.983 -3.832 1.00 0.00 C ATOM 1510 CE2 PHE A 93 14.174 -1.227 -2.237 1.00 0.00 C ATOM 1511 CZ PHE A 93 15.004 -2.012 -3.011 1.00 0.00 C ATOM 0 H PHE A 93 8.451 -3.192 -1.391 1.00 0.00 H new ATOM 0 HA PHE A 93 10.616 -4.669 -2.669 1.00 0.00 H new ATOM 0 HB2 PHE A 93 10.458 -2.804 -4.175 1.00 0.00 H new ATOM 0 HB3 PHE A 93 10.263 -1.668 -2.856 1.00 0.00 H new ATOM 0 HD1 PHE A 93 12.680 -3.930 -4.519 1.00 0.00 H new ATOM 0 HD2 PHE A 93 12.161 -0.796 -1.681 1.00 0.00 H new ATOM 0 HE1 PHE A 93 15.113 -3.598 -4.439 1.00 0.00 H new ATOM 0 HE2 PHE A 93 14.593 -0.468 -1.593 1.00 0.00 H new ATOM 0 HZ PHE A 93 16.074 -1.867 -2.975 1.00 0.00 H new ATOM 1521 N THR A 94 11.809 -4.323 -0.486 1.00 0.00 N ATOM 1522 CA THR A 94 12.428 -4.175 0.808 1.00 0.00 C ATOM 1523 C THR A 94 13.753 -3.435 0.679 1.00 0.00 C ATOM 1524 O THR A 94 14.736 -3.978 0.174 1.00 0.00 O ATOM 1525 CB THR A 94 12.619 -5.542 1.474 1.00 0.00 C ATOM 1526 OG1 THR A 94 12.939 -6.534 0.484 1.00 0.00 O ATOM 1527 CG2 THR A 94 11.358 -5.947 2.221 1.00 0.00 C ATOM 0 H THR A 94 12.207 -5.059 -1.070 1.00 0.00 H new ATOM 0 HA THR A 94 11.770 -3.583 1.445 1.00 0.00 H new ATOM 0 HB THR A 94 13.442 -5.469 2.185 1.00 0.00 H new ATOM 0 HG1 THR A 94 12.329 -7.296 0.575 1.00 0.00 H new ATOM 0 HG21 THR A 94 11.509 -6.920 2.689 1.00 0.00 H new ATOM 0 HG22 THR A 94 11.136 -5.206 2.989 1.00 0.00 H new ATOM 0 HG23 THR A 94 10.524 -6.006 1.522 1.00 0.00 H new ATOM 1535 N PHE A 95 13.760 -2.180 1.108 1.00 0.00 N ATOM 1536 CA PHE A 95 14.930 -1.332 0.956 1.00 0.00 C ATOM 1537 C PHE A 95 16.042 -1.806 1.875 1.00 0.00 C ATOM 1538 O PHE A 95 15.929 -1.715 3.098 1.00 0.00 O ATOM 1539 CB PHE A 95 14.578 0.128 1.250 1.00 0.00 C ATOM 1540 CG PHE A 95 15.608 1.109 0.759 1.00 0.00 C ATOM 1541 CD1 PHE A 95 16.785 1.318 1.459 1.00 0.00 C ATOM 1542 CD2 PHE A 95 15.399 1.822 -0.409 1.00 0.00 C ATOM 1543 CE1 PHE A 95 17.730 2.215 1.007 1.00 0.00 C ATOM 1544 CE2 PHE A 95 16.341 2.722 -0.867 1.00 0.00 C ATOM 1545 CZ PHE A 95 17.509 2.919 -0.158 1.00 0.00 C ATOM 0 H PHE A 95 12.967 -1.728 1.564 1.00 0.00 H new ATOM 0 HA PHE A 95 15.276 -1.399 -0.075 1.00 0.00 H new ATOM 0 HB2 PHE A 95 13.618 0.361 0.789 1.00 0.00 H new ATOM 0 HB3 PHE A 95 14.454 0.253 2.326 1.00 0.00 H new ATOM 0 HD1 PHE A 95 16.965 0.770 2.372 1.00 0.00 H new ATOM 0 HD2 PHE A 95 14.488 1.673 -0.969 1.00 0.00 H new ATOM 0 HE1 PHE A 95 18.642 2.366 1.565 1.00 0.00 H new ATOM 0 HE2 PHE A 95 16.164 3.272 -1.780 1.00 0.00 H new ATOM 0 HZ PHE A 95 18.247 3.622 -0.515 1.00 0.00 H new ATOM 1555 N GLN A 96 17.102 -2.323 1.279 1.00 0.00 N ATOM 1556 CA GLN A 96 18.235 -2.816 2.040 1.00 0.00 C ATOM 1557 C GLN A 96 19.353 -1.791 2.080 1.00 0.00 C ATOM 1558 O GLN A 96 19.603 -1.088 1.101 1.00 0.00 O ATOM 1559 CB GLN A 96 18.772 -4.116 1.447 1.00 0.00 C ATOM 1560 CG GLN A 96 17.815 -5.287 1.552 1.00 0.00 C ATOM 1561 CD GLN A 96 18.474 -6.593 1.167 1.00 0.00 C ATOM 1562 OE1 GLN A 96 18.460 -6.996 0.003 1.00 0.00 O ATOM 1563 NE2 GLN A 96 19.065 -7.262 2.144 1.00 0.00 N ATOM 0 H GLN A 96 17.201 -2.412 0.268 1.00 0.00 H new ATOM 0 HA GLN A 96 17.883 -3.003 3.054 1.00 0.00 H new ATOM 0 HB2 GLN A 96 19.013 -3.951 0.397 1.00 0.00 H new ATOM 0 HB3 GLN A 96 19.703 -4.375 1.951 1.00 0.00 H new ATOM 0 HG2 GLN A 96 17.439 -5.358 2.573 1.00 0.00 H new ATOM 0 HG3 GLN A 96 16.954 -5.111 0.907 1.00 0.00 H new ATOM 0 HE21 GLN A 96 19.053 -6.893 3.095 1.00 0.00 H new ATOM 0 HE22 GLN A 96 19.532 -8.147 1.946 1.00 0.00 H new ATOM 1659 N ILE A 103 17.128 -4.125 6.396 1.00 0.00 N ATOM 1660 CA ILE A 103 15.957 -3.561 5.758 1.00 0.00 C ATOM 1661 C ILE A 103 15.477 -2.357 6.532 1.00 0.00 C ATOM 1662 O ILE A 103 15.050 -2.460 7.685 1.00 0.00 O ATOM 1663 CB ILE A 103 14.815 -4.581 5.612 1.00 0.00 C ATOM 1664 CG1 ILE A 103 15.220 -5.638 4.600 1.00 0.00 C ATOM 1665 CG2 ILE A 103 13.520 -3.894 5.183 1.00 0.00 C ATOM 1666 CD1 ILE A 103 14.177 -6.704 4.402 1.00 0.00 C ATOM 0 HA ILE A 103 16.252 -3.262 4.752 1.00 0.00 H new ATOM 0 HB ILE A 103 14.632 -5.053 6.577 1.00 0.00 H new ATOM 0 HG12 ILE A 103 15.423 -5.156 3.644 1.00 0.00 H new ATOM 0 HG13 ILE A 103 16.150 -6.105 4.925 1.00 0.00 H new ATOM 0 HG21 ILE A 103 12.728 -4.637 5.087 1.00 0.00 H new ATOM 0 HG22 ILE A 103 13.235 -3.155 5.932 1.00 0.00 H new ATOM 0 HG23 ILE A 103 13.671 -3.399 4.224 1.00 0.00 H new ATOM 0 HD11 ILE A 103 14.530 -7.427 3.667 1.00 0.00 H new ATOM 0 HD12 ILE A 103 13.991 -7.211 5.349 1.00 0.00 H new ATOM 0 HD13 ILE A 103 13.253 -6.248 4.047 1.00 0.00 H new ATOM 1678 N GLU A 104 15.566 -1.222 5.873 1.00 0.00 N ATOM 1679 CA GLU A 104 15.199 0.048 6.459 1.00 0.00 C ATOM 1680 C GLU A 104 13.692 0.102 6.645 1.00 0.00 C ATOM 1681 O GLU A 104 13.188 0.456 7.708 1.00 0.00 O ATOM 1682 CB GLU A 104 15.637 1.185 5.532 1.00 0.00 C ATOM 1683 CG GLU A 104 16.897 0.872 4.742 1.00 0.00 C ATOM 1684 CD GLU A 104 18.132 0.771 5.616 1.00 0.00 C ATOM 1685 OE1 GLU A 104 18.379 -0.305 6.195 1.00 0.00 O ATOM 1686 OE2 GLU A 104 18.864 1.779 5.729 1.00 0.00 O ATOM 0 H GLU A 104 15.897 -1.154 4.911 1.00 0.00 H new ATOM 0 HA GLU A 104 15.691 0.157 7.426 1.00 0.00 H new ATOM 0 HB2 GLU A 104 14.828 1.408 4.837 1.00 0.00 H new ATOM 0 HB3 GLU A 104 15.804 2.084 6.126 1.00 0.00 H new ATOM 0 HG2 GLU A 104 16.760 -0.067 4.206 1.00 0.00 H new ATOM 0 HG3 GLU A 104 17.051 1.648 3.992 1.00 0.00 H new ATOM 1693 N TYR A 105 12.994 -0.260 5.580 1.00 0.00 N ATOM 1694 CA TYR A 105 11.542 -0.215 5.534 1.00 0.00 C ATOM 1695 C TYR A 105 11.061 -0.858 4.242 1.00 0.00 C ATOM 1696 O TYR A 105 11.871 -1.207 3.377 1.00 0.00 O ATOM 1697 CB TYR A 105 11.043 1.242 5.619 1.00 0.00 C ATOM 1698 CG TYR A 105 11.789 2.214 4.719 1.00 0.00 C ATOM 1699 CD1 TYR A 105 11.646 2.175 3.337 1.00 0.00 C ATOM 1700 CD2 TYR A 105 12.645 3.167 5.261 1.00 0.00 C ATOM 1701 CE1 TYR A 105 12.334 3.057 2.525 1.00 0.00 C ATOM 1702 CE2 TYR A 105 13.334 4.050 4.453 1.00 0.00 C ATOM 1703 CZ TYR A 105 13.176 3.988 3.085 1.00 0.00 C ATOM 1704 OH TYR A 105 13.859 4.864 2.273 1.00 0.00 O ATOM 0 H TYR A 105 13.423 -0.596 4.717 1.00 0.00 H new ATOM 0 HA TYR A 105 11.141 -0.764 6.386 1.00 0.00 H new ATOM 0 HB2 TYR A 105 9.984 1.266 5.361 1.00 0.00 H new ATOM 0 HB3 TYR A 105 11.128 1.583 6.651 1.00 0.00 H new ATOM 0 HD1 TYR A 105 10.987 1.445 2.891 1.00 0.00 H new ATOM 0 HD2 TYR A 105 12.773 3.217 6.332 1.00 0.00 H new ATOM 0 HE1 TYR A 105 12.210 3.015 1.453 1.00 0.00 H new ATOM 0 HE2 TYR A 105 13.993 4.785 4.891 1.00 0.00 H new ATOM 0 HH TYR A 105 14.411 5.458 2.824 1.00 0.00 H new ATOM 1714 N ILE A 106 9.758 -1.018 4.109 1.00 0.00 N ATOM 1715 CA ILE A 106 9.188 -1.555 2.889 1.00 0.00 C ATOM 1716 C ILE A 106 8.699 -0.414 2.011 1.00 0.00 C ATOM 1717 O ILE A 106 8.121 0.553 2.506 1.00 0.00 O ATOM 1718 CB ILE A 106 8.011 -2.515 3.172 1.00 0.00 C ATOM 1719 CG1 ILE A 106 8.414 -3.587 4.186 1.00 0.00 C ATOM 1720 CG2 ILE A 106 7.537 -3.169 1.877 1.00 0.00 C ATOM 1721 CD1 ILE A 106 7.289 -4.537 4.537 1.00 0.00 C ATOM 0 H ILE A 106 9.075 -0.784 4.830 1.00 0.00 H new ATOM 0 HA ILE A 106 9.970 -2.121 2.382 1.00 0.00 H new ATOM 0 HB ILE A 106 7.192 -1.933 3.595 1.00 0.00 H new ATOM 0 HG12 ILE A 106 9.251 -4.159 3.785 1.00 0.00 H new ATOM 0 HG13 ILE A 106 8.767 -3.101 5.096 1.00 0.00 H new ATOM 0 HG21 ILE A 106 6.708 -3.843 2.092 1.00 0.00 H new ATOM 0 HG22 ILE A 106 7.208 -2.399 1.180 1.00 0.00 H new ATOM 0 HG23 ILE A 106 8.357 -3.733 1.433 1.00 0.00 H new ATOM 0 HD11 ILE A 106 7.645 -5.271 5.260 1.00 0.00 H new ATOM 0 HD12 ILE A 106 6.460 -3.976 4.967 1.00 0.00 H new ATOM 0 HD13 ILE A 106 6.951 -5.050 3.636 1.00 0.00 H new ATOM 1733 N ILE A 107 8.913 -0.536 0.715 1.00 0.00 N ATOM 1734 CA ILE A 107 8.475 0.471 -0.233 1.00 0.00 C ATOM 1735 C ILE A 107 7.378 -0.118 -1.105 1.00 0.00 C ATOM 1736 O ILE A 107 7.630 -0.998 -1.927 1.00 0.00 O ATOM 1737 CB ILE A 107 9.631 0.968 -1.128 1.00 0.00 C ATOM 1738 CG1 ILE A 107 10.748 1.565 -0.269 1.00 0.00 C ATOM 1739 CG2 ILE A 107 9.126 1.994 -2.136 1.00 0.00 C ATOM 1740 CD1 ILE A 107 11.922 2.087 -1.070 1.00 0.00 C ATOM 0 H ILE A 107 9.392 -1.331 0.291 1.00 0.00 H new ATOM 0 HA ILE A 107 8.104 1.327 0.330 1.00 0.00 H new ATOM 0 HB ILE A 107 10.033 0.117 -1.678 1.00 0.00 H new ATOM 0 HG12 ILE A 107 10.338 2.379 0.329 1.00 0.00 H new ATOM 0 HG13 ILE A 107 11.104 0.805 0.427 1.00 0.00 H new ATOM 0 HG21 ILE A 107 9.955 2.332 -2.757 1.00 0.00 H new ATOM 0 HG22 ILE A 107 8.362 1.539 -2.767 1.00 0.00 H new ATOM 0 HG23 ILE A 107 8.699 2.845 -1.606 1.00 0.00 H new ATOM 0 HD11 ILE A 107 12.672 2.494 -0.392 1.00 0.00 H new ATOM 0 HD12 ILE A 107 12.359 1.273 -1.648 1.00 0.00 H new ATOM 0 HD13 ILE A 107 11.581 2.870 -1.747 1.00 0.00 H new ATOM 1752 N CYS A 108 6.161 0.339 -0.898 1.00 0.00 N ATOM 1753 CA CYS A 108 5.025 -0.196 -1.616 1.00 0.00 C ATOM 1754 C CYS A 108 4.529 0.781 -2.674 1.00 0.00 C ATOM 1755 O CYS A 108 4.116 1.903 -2.366 1.00 0.00 O ATOM 1756 CB CYS A 108 3.908 -0.555 -0.636 1.00 0.00 C ATOM 1757 SG CYS A 108 3.644 0.662 0.673 1.00 0.00 S ATOM 0 H CYS A 108 5.933 1.081 -0.237 1.00 0.00 H new ATOM 0 HA CYS A 108 5.341 -1.102 -2.133 1.00 0.00 H new ATOM 0 HB2 CYS A 108 2.979 -0.679 -1.193 1.00 0.00 H new ATOM 0 HB3 CYS A 108 4.137 -1.518 -0.179 1.00 0.00 H new ATOM 0 HG CYS A 108 2.949 1.657 0.207 1.00 0.00 H new ATOM 1763 N THR A 109 4.603 0.355 -3.923 1.00 0.00 N ATOM 1764 CA THR A 109 4.043 1.109 -5.025 1.00 0.00 C ATOM 1765 C THR A 109 2.634 0.605 -5.291 1.00 0.00 C ATOM 1766 O THR A 109 2.440 -0.570 -5.591 1.00 0.00 O ATOM 1767 CB THR A 109 4.905 0.962 -6.293 1.00 0.00 C ATOM 1768 OG1 THR A 109 6.276 1.243 -5.978 1.00 0.00 O ATOM 1769 CG2 THR A 109 4.431 1.905 -7.388 1.00 0.00 C ATOM 0 H THR A 109 5.051 -0.519 -4.198 1.00 0.00 H new ATOM 0 HA THR A 109 4.021 2.166 -4.760 1.00 0.00 H new ATOM 0 HB THR A 109 4.810 -0.062 -6.656 1.00 0.00 H new ATOM 0 HG1 THR A 109 6.823 1.147 -6.785 1.00 0.00 H new ATOM 0 HG21 THR A 109 5.057 1.780 -8.272 1.00 0.00 H new ATOM 0 HG22 THR A 109 3.396 1.677 -7.642 1.00 0.00 H new ATOM 0 HG23 THR A 109 4.500 2.935 -7.037 1.00 0.00 H new ATOM 1777 N ASN A 110 1.658 1.482 -5.185 1.00 0.00 N ATOM 1778 CA ASN A 110 0.267 1.059 -5.217 1.00 0.00 C ATOM 1779 C ASN A 110 -0.350 1.407 -6.554 1.00 0.00 C ATOM 1780 O ASN A 110 -0.553 2.581 -6.861 1.00 0.00 O ATOM 1781 CB ASN A 110 -0.527 1.718 -4.085 1.00 0.00 C ATOM 1782 CG ASN A 110 0.020 1.392 -2.709 1.00 0.00 C ATOM 1783 OD1 ASN A 110 -0.365 0.405 -2.088 1.00 0.00 O ATOM 1784 ND2 ASN A 110 0.926 2.227 -2.222 1.00 0.00 N ATOM 0 H ASN A 110 1.797 2.487 -5.076 1.00 0.00 H new ATOM 0 HA ASN A 110 0.233 -0.022 -5.078 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -0.520 2.799 -4.226 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -1.567 1.395 -4.142 1.00 0.00 H new ATOM 0 HD21 ASN A 110 1.330 2.061 -1.300 1.00 0.00 H new ATOM 0 HD22 ASN A 110 1.220 3.036 -2.769 1.00 0.00 H new ATOM 1791 N THR A 111 -0.634 0.389 -7.348 1.00 0.00 N ATOM 1792 CA THR A 111 -1.223 0.588 -8.653 1.00 0.00 C ATOM 1793 C THR A 111 -2.706 0.242 -8.626 1.00 0.00 C ATOM 1794 O THR A 111 -3.086 -0.917 -8.430 1.00 0.00 O ATOM 1795 CB THR A 111 -0.518 -0.278 -9.716 1.00 0.00 C ATOM 1796 OG1 THR A 111 0.895 -0.012 -9.720 1.00 0.00 O ATOM 1797 CG2 THR A 111 -1.092 -0.014 -11.100 1.00 0.00 C ATOM 0 H THR A 111 -0.464 -0.587 -7.106 1.00 0.00 H new ATOM 0 HA THR A 111 -1.099 1.639 -8.915 1.00 0.00 H new ATOM 0 HB THR A 111 -0.687 -1.325 -9.462 1.00 0.00 H new ATOM 0 HG1 THR A 111 1.068 0.832 -10.188 1.00 0.00 H new ATOM 0 HG21 THR A 111 -0.578 -0.637 -11.832 1.00 0.00 H new ATOM 0 HG22 THR A 111 -2.156 -0.252 -11.104 1.00 0.00 H new ATOM 0 HG23 THR A 111 -0.954 1.036 -11.357 1.00 0.00 H new ATOM 1805 N ASN A 112 -3.541 1.249 -8.822 1.00 0.00 N ATOM 1806 CA ASN A 112 -4.979 1.041 -8.859 1.00 0.00 C ATOM 1807 C ASN A 112 -5.354 0.386 -10.173 1.00 0.00 C ATOM 1808 O ASN A 112 -5.249 0.999 -11.235 1.00 0.00 O ATOM 1809 CB ASN A 112 -5.718 2.370 -8.711 1.00 0.00 C ATOM 1810 CG ASN A 112 -7.232 2.221 -8.716 1.00 0.00 C ATOM 1811 OD1 ASN A 112 -7.736 1.120 -8.173 1.00 0.00 O flip ATOM 1812 ND2 ASN A 112 -7.947 3.100 -9.190 1.00 0.00 N flip ATOM 0 H ASN A 112 -3.249 2.217 -8.958 1.00 0.00 H new ATOM 0 HA ASN A 112 -5.266 0.395 -8.030 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -5.410 2.847 -7.781 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -5.423 3.034 -9.523 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -7.526 3.934 -9.600 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -8.962 2.996 -9.174 1.00 0.00 H new ATOM 1819 N VAL A 113 -5.766 -0.868 -10.104 1.00 0.00 N ATOM 1820 CA VAL A 113 -6.125 -1.604 -11.290 1.00 0.00 C ATOM 1821 C VAL A 113 -7.589 -1.376 -11.647 1.00 0.00 C ATOM 1822 O VAL A 113 -7.975 -0.272 -12.032 1.00 0.00 O ATOM 1823 CB VAL A 113 -5.832 -3.117 -11.148 1.00 0.00 C ATOM 1824 CG1 VAL A 113 -4.399 -3.423 -11.552 1.00 0.00 C ATOM 1825 CG2 VAL A 113 -6.062 -3.609 -9.733 1.00 0.00 C ATOM 0 H VAL A 113 -5.858 -1.393 -9.234 1.00 0.00 H new ATOM 0 HA VAL A 113 -5.503 -1.226 -12.101 1.00 0.00 H new ATOM 0 HB VAL A 113 -6.524 -3.637 -11.811 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -4.211 -4.491 -11.446 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -4.243 -3.129 -12.590 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -3.714 -2.869 -10.911 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -5.845 -4.676 -9.679 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -5.406 -3.070 -9.049 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -7.101 -3.436 -9.452 1.00 0.00 H new