USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 610 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 46 SER OG : rot 116:sc= 1.42 USER MOD Set 1.2: A 48 THR OG1 : rot 144:sc= 1.44 USER MOD Set 1.3: A 49 SER OG : rot 105:sc= 1.21 USER MOD Set 1.4: A 105 GLN : amide:sc= 0.788 K(o=4.9,f=1.7) USER MOD Single : A 44 ASN :FLIP amide:sc= -2 F(o=-5.4!,f=-2) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 157:sc= 0 (180deg=-0.555) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= -3.29! C(o=-3.3!,f=-7.6!) USER MOD Single : A 69 TYR OH : rot 165:sc= -0.757 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.111 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 91 HIS : no HD1:sc= -2.89! X(o=-2.9!,f=-2.9) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 GLN :FLIP amide:sc= -2.82 F(o=-5.7!,f=-2.8) USER MOD Single : A 108 MET CE :methyl 147:sc= -3.03! (180deg=-6.23!) USER MOD Single : A 110 HIS : no HD1:sc= -0.179 X(o=-0.18,f=-0.5) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 77 N GLY A 38 -0.596 15.849 -1.232 1.00 0.00 N ATOM 78 CA GLY A 38 -1.053 14.586 -1.784 1.00 0.00 C ATOM 79 C GLY A 38 -0.738 13.411 -0.881 1.00 0.00 C ATOM 80 O GLY A 38 -0.347 12.343 -1.354 1.00 0.00 O ATOM 0 HA2 GLY A 38 -2.129 14.634 -1.951 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -0.587 14.428 -2.756 1.00 0.00 H new ATOM 84 N ARG A 39 -0.906 13.606 0.423 1.00 0.00 N ATOM 85 CA ARG A 39 -0.633 12.554 1.394 1.00 0.00 C ATOM 86 C ARG A 39 -1.776 11.543 1.436 1.00 0.00 C ATOM 87 O ARG A 39 -2.948 11.911 1.342 1.00 0.00 O ATOM 88 CB ARG A 39 -0.421 13.157 2.784 1.00 0.00 C ATOM 89 CG ARG A 39 0.117 12.165 3.803 1.00 0.00 C ATOM 90 CD ARG A 39 0.671 12.872 5.030 1.00 0.00 C ATOM 91 NE ARG A 39 1.512 11.991 5.836 1.00 0.00 N ATOM 92 CZ ARG A 39 2.396 12.431 6.725 1.00 0.00 C ATOM 93 NH1 ARG A 39 2.552 13.733 6.922 1.00 0.00 N ATOM 94 NH2 ARG A 39 3.125 11.567 7.420 1.00 0.00 N ATOM 0 H ARG A 39 -1.230 14.483 0.831 1.00 0.00 H new ATOM 0 HA ARG A 39 0.276 12.037 1.086 1.00 0.00 H new ATOM 0 HB2 ARG A 39 0.271 13.995 2.705 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -1.368 13.558 3.145 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -0.678 11.483 4.103 1.00 0.00 H new ATOM 0 HG3 ARG A 39 0.900 11.560 3.346 1.00 0.00 H new ATOM 0 HD2 ARG A 39 1.251 13.740 4.717 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -0.154 13.242 5.639 1.00 0.00 H new ATOM 0 HE ARG A 39 1.415 10.983 5.710 1.00 0.00 H new ATOM 0 HH11 ARG A 39 1.993 14.400 6.390 1.00 0.00 H new ATOM 0 HH12 ARG A 39 3.231 14.068 7.605 1.00 0.00 H new ATOM 0 HH21 ARG A 39 3.007 10.565 7.272 1.00 0.00 H new ATOM 0 HH22 ARG A 39 3.804 11.905 8.102 1.00 0.00 H new ATOM 108 N LEU A 40 -1.426 10.269 1.575 1.00 0.00 N ATOM 109 CA LEU A 40 -2.422 9.205 1.629 1.00 0.00 C ATOM 110 C LEU A 40 -1.967 8.079 2.552 1.00 0.00 C ATOM 111 O LEU A 40 -0.799 7.691 2.546 1.00 0.00 O ATOM 112 CB LEU A 40 -2.684 8.654 0.226 1.00 0.00 C ATOM 113 CG LEU A 40 -3.242 9.649 -0.792 1.00 0.00 C ATOM 114 CD1 LEU A 40 -3.071 9.117 -2.207 1.00 0.00 C ATOM 115 CD2 LEU A 40 -4.708 9.940 -0.504 1.00 0.00 C ATOM 0 H LEU A 40 -0.461 9.948 1.652 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.346 9.625 2.027 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.750 8.251 -0.165 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -3.381 7.820 0.309 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.683 10.581 -0.706 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.474 9.838 -2.918 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.012 8.959 -2.411 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.605 8.172 -2.307 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -5.089 10.650 -1.238 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -5.281 9.015 -0.563 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.805 10.364 0.495 1.00 0.00 H new ATOM 127 N PHE A 41 -2.898 7.558 3.344 1.00 0.00 N ATOM 128 CA PHE A 41 -2.593 6.476 4.273 1.00 0.00 C ATOM 129 C PHE A 41 -2.759 5.117 3.599 1.00 0.00 C ATOM 130 O PHE A 41 -3.801 4.826 3.011 1.00 0.00 O ATOM 131 CB PHE A 41 -3.498 6.561 5.504 1.00 0.00 C ATOM 132 CG PHE A 41 -3.198 5.518 6.542 1.00 0.00 C ATOM 133 CD1 PHE A 41 -1.922 5.392 7.067 1.00 0.00 C ATOM 134 CD2 PHE A 41 -4.192 4.665 6.993 1.00 0.00 C ATOM 135 CE1 PHE A 41 -1.642 4.434 8.023 1.00 0.00 C ATOM 136 CE2 PHE A 41 -3.918 3.705 7.950 1.00 0.00 C ATOM 137 CZ PHE A 41 -2.642 3.589 8.464 1.00 0.00 C ATOM 0 H PHE A 41 -3.870 7.867 3.361 1.00 0.00 H new ATOM 0 HA PHE A 41 -1.554 6.582 4.586 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -3.395 7.549 5.953 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -4.537 6.460 5.189 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -1.137 6.050 6.725 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -5.192 4.751 6.593 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -0.643 4.346 8.425 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -4.702 3.047 8.295 1.00 0.00 H new ATOM 0 HZ PHE A 41 -2.426 2.839 9.210 1.00 0.00 H new ATOM 147 N VAL A 42 -1.723 4.289 3.687 1.00 0.00 N ATOM 148 CA VAL A 42 -1.753 2.961 3.087 1.00 0.00 C ATOM 149 C VAL A 42 -1.344 1.892 4.094 1.00 0.00 C ATOM 150 O VAL A 42 -0.413 2.086 4.876 1.00 0.00 O ATOM 151 CB VAL A 42 -0.823 2.878 1.862 1.00 0.00 C ATOM 152 CG1 VAL A 42 -0.959 1.525 1.178 1.00 0.00 C ATOM 153 CG2 VAL A 42 -1.122 4.008 0.889 1.00 0.00 C ATOM 0 H VAL A 42 -0.852 4.515 4.168 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.780 2.782 2.768 1.00 0.00 H new ATOM 0 HB VAL A 42 0.207 2.984 2.202 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -0.294 1.485 0.315 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.691 0.734 1.879 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.989 1.385 0.850 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.456 3.934 0.030 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.157 3.935 0.554 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -0.968 4.966 1.386 1.00 0.00 H new ATOM 163 N ARG A 43 -2.047 0.765 4.071 1.00 0.00 N ATOM 164 CA ARG A 43 -1.758 -0.335 4.983 1.00 0.00 C ATOM 165 C ARG A 43 -1.871 -1.679 4.269 1.00 0.00 C ATOM 166 O ARG A 43 -2.148 -1.734 3.072 1.00 0.00 O ATOM 167 CB ARG A 43 -2.712 -0.299 6.179 1.00 0.00 C ATOM 168 CG ARG A 43 -4.166 -0.538 5.805 1.00 0.00 C ATOM 169 CD ARG A 43 -5.099 -0.206 6.958 1.00 0.00 C ATOM 170 NE ARG A 43 -6.492 -0.507 6.639 1.00 0.00 N ATOM 171 CZ ARG A 43 -7.526 0.035 7.274 1.00 0.00 C ATOM 172 NH1 ARG A 43 -7.324 0.902 8.256 1.00 0.00 N ATOM 173 NH2 ARG A 43 -8.764 -0.290 6.926 1.00 0.00 N ATOM 0 H ARG A 43 -2.821 0.589 3.431 1.00 0.00 H new ATOM 0 HA ARG A 43 -0.735 -0.218 5.339 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -2.403 -1.053 6.902 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -2.627 0.669 6.672 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -4.425 0.071 4.939 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -4.302 -1.580 5.514 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -4.799 -0.770 7.841 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -5.005 0.851 7.208 1.00 0.00 H new ATOM 0 HE ARG A 43 -6.682 -1.170 5.887 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -6.373 1.155 8.526 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -8.119 1.317 8.742 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -8.923 -0.956 6.170 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -9.557 0.127 7.414 1.00 0.00 H new ATOM 187 N ASN A 44 -1.655 -2.759 5.013 1.00 0.00 N ATOM 188 CA ASN A 44 -1.732 -4.102 4.450 1.00 0.00 C ATOM 189 C ASN A 44 -0.598 -4.342 3.459 1.00 0.00 C ATOM 190 O ASN A 44 -0.826 -4.790 2.334 1.00 0.00 O ATOM 191 CB ASN A 44 -3.081 -4.312 3.760 1.00 0.00 C ATOM 192 CG ASN A 44 -3.516 -5.764 3.769 1.00 0.00 C ATOM 193 OD1 ASN A 44 -3.394 -6.425 2.623 1.00 0.00 O flip ATOM 194 ND2 ASN A 44 -3.955 -6.286 4.794 1.00 0.00 N flip ATOM 0 H ASN A 44 -1.425 -2.730 6.006 1.00 0.00 H new ATOM 0 HA ASN A 44 -1.634 -4.817 5.267 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -3.838 -3.706 4.257 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -3.017 -3.961 2.730 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -4.031 -5.740 5.652 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -4.242 -7.265 4.785 1.00 0.00 H new ATOM 201 N LEU A 45 0.625 -4.043 3.883 1.00 0.00 N ATOM 202 CA LEU A 45 1.796 -4.227 3.033 1.00 0.00 C ATOM 203 C LEU A 45 2.434 -5.591 3.273 1.00 0.00 C ATOM 204 O LEU A 45 2.650 -5.994 4.416 1.00 0.00 O ATOM 205 CB LEU A 45 2.819 -3.120 3.295 1.00 0.00 C ATOM 206 CG LEU A 45 2.628 -1.827 2.500 1.00 0.00 C ATOM 207 CD1 LEU A 45 2.899 -2.064 1.023 1.00 0.00 C ATOM 208 CD2 LEU A 45 1.223 -1.278 2.705 1.00 0.00 C ATOM 0 H LEU A 45 0.831 -3.672 4.810 1.00 0.00 H new ATOM 0 HA LEU A 45 1.472 -4.176 1.994 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.797 -2.876 4.357 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.813 -3.512 3.079 1.00 0.00 H new ATOM 0 HG LEU A 45 3.342 -1.089 2.865 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.758 -1.133 0.473 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.924 -2.411 0.892 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.209 -2.818 0.643 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.105 -0.358 2.132 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.492 -2.013 2.367 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.065 -1.070 3.763 1.00 0.00 H new ATOM 220 N SER A 46 2.735 -6.297 2.188 1.00 0.00 N ATOM 221 CA SER A 46 3.347 -7.617 2.280 1.00 0.00 C ATOM 222 C SER A 46 4.792 -7.514 2.760 1.00 0.00 C ATOM 223 O SER A 46 5.643 -6.938 2.083 1.00 0.00 O ATOM 224 CB SER A 46 3.298 -8.321 0.922 1.00 0.00 C ATOM 225 OG SER A 46 4.229 -7.752 0.019 1.00 0.00 O ATOM 0 H SER A 46 2.565 -5.977 1.235 1.00 0.00 H new ATOM 0 HA SER A 46 2.782 -8.202 3.006 1.00 0.00 H new ATOM 0 HB2 SER A 46 3.513 -9.382 1.051 1.00 0.00 H new ATOM 0 HB3 SER A 46 2.293 -8.248 0.507 1.00 0.00 H new ATOM 0 HG SER A 46 4.910 -8.418 -0.211 1.00 0.00 H new ATOM 231 N TYR A 47 5.060 -8.077 3.933 1.00 0.00 N ATOM 232 CA TYR A 47 6.400 -8.046 4.507 1.00 0.00 C ATOM 233 C TYR A 47 7.452 -8.371 3.450 1.00 0.00 C ATOM 234 O TYR A 47 8.607 -7.958 3.559 1.00 0.00 O ATOM 235 CB TYR A 47 6.503 -9.038 5.667 1.00 0.00 C ATOM 236 CG TYR A 47 5.218 -9.193 6.447 1.00 0.00 C ATOM 237 CD1 TYR A 47 4.722 -8.151 7.221 1.00 0.00 C ATOM 238 CD2 TYR A 47 4.499 -10.382 6.411 1.00 0.00 C ATOM 239 CE1 TYR A 47 3.548 -8.289 7.936 1.00 0.00 C ATOM 240 CE2 TYR A 47 3.323 -10.528 7.121 1.00 0.00 C ATOM 241 CZ TYR A 47 2.852 -9.479 7.883 1.00 0.00 C ATOM 242 OH TYR A 47 1.682 -9.619 8.593 1.00 0.00 O ATOM 0 H TYR A 47 4.367 -8.560 4.505 1.00 0.00 H new ATOM 0 HA TYR A 47 6.585 -7.039 4.881 1.00 0.00 H new ATOM 0 HB2 TYR A 47 6.801 -10.011 5.276 1.00 0.00 H new ATOM 0 HB3 TYR A 47 7.292 -8.711 6.344 1.00 0.00 H new ATOM 0 HD1 TYR A 47 5.263 -7.218 7.264 1.00 0.00 H new ATOM 0 HD2 TYR A 47 4.866 -11.206 5.818 1.00 0.00 H new ATOM 0 HE1 TYR A 47 3.177 -7.469 8.533 1.00 0.00 H new ATOM 0 HE2 TYR A 47 2.776 -11.458 7.080 1.00 0.00 H new ATOM 0 HH TYR A 47 1.316 -10.516 8.447 1.00 0.00 H new ATOM 252 N THR A 48 7.044 -9.114 2.426 1.00 0.00 N ATOM 253 CA THR A 48 7.949 -9.495 1.349 1.00 0.00 C ATOM 254 C THR A 48 8.364 -8.282 0.525 1.00 0.00 C ATOM 255 O THR A 48 9.523 -8.157 0.129 1.00 0.00 O ATOM 256 CB THR A 48 7.305 -10.539 0.417 1.00 0.00 C ATOM 257 OG1 THR A 48 6.185 -9.962 -0.265 1.00 0.00 O ATOM 258 CG2 THR A 48 6.852 -11.760 1.203 1.00 0.00 C ATOM 0 H THR A 48 6.092 -9.464 2.320 1.00 0.00 H new ATOM 0 HA THR A 48 8.831 -9.932 1.817 1.00 0.00 H new ATOM 0 HB THR A 48 8.052 -10.853 -0.312 1.00 0.00 H new ATOM 0 HG1 THR A 48 6.134 -10.324 -1.174 1.00 0.00 H new ATOM 0 HG21 THR A 48 6.401 -12.483 0.524 1.00 0.00 H new ATOM 0 HG22 THR A 48 7.711 -12.214 1.697 1.00 0.00 H new ATOM 0 HG23 THR A 48 6.119 -11.459 1.952 1.00 0.00 H new ATOM 266 N SER A 49 7.412 -7.391 0.271 1.00 0.00 N ATOM 267 CA SER A 49 7.679 -6.188 -0.510 1.00 0.00 C ATOM 268 C SER A 49 8.680 -5.287 0.207 1.00 0.00 C ATOM 269 O SER A 49 8.784 -5.308 1.433 1.00 0.00 O ATOM 270 CB SER A 49 6.380 -5.423 -0.768 1.00 0.00 C ATOM 271 OG SER A 49 5.483 -6.191 -1.551 1.00 0.00 O ATOM 0 H SER A 49 6.449 -7.479 0.594 1.00 0.00 H new ATOM 0 HA SER A 49 8.108 -6.492 -1.465 1.00 0.00 H new ATOM 0 HB2 SER A 49 5.911 -5.166 0.182 1.00 0.00 H new ATOM 0 HB3 SER A 49 6.602 -4.485 -1.278 1.00 0.00 H new ATOM 0 HG SER A 49 4.762 -6.532 -0.982 1.00 0.00 H new ATOM 277 N SER A 50 9.414 -4.495 -0.568 1.00 0.00 N ATOM 278 CA SER A 50 10.410 -3.588 -0.009 1.00 0.00 C ATOM 279 C SER A 50 10.061 -2.137 -0.325 1.00 0.00 C ATOM 280 O SER A 50 9.322 -1.857 -1.268 1.00 0.00 O ATOM 281 CB SER A 50 11.799 -3.921 -0.558 1.00 0.00 C ATOM 282 OG SER A 50 12.278 -5.144 -0.025 1.00 0.00 O ATOM 0 H SER A 50 9.338 -4.463 -1.585 1.00 0.00 H new ATOM 0 HA SER A 50 10.415 -3.715 1.074 1.00 0.00 H new ATOM 0 HB2 SER A 50 11.758 -3.986 -1.645 1.00 0.00 H new ATOM 0 HB3 SER A 50 12.493 -3.117 -0.313 1.00 0.00 H new ATOM 0 HG SER A 50 13.166 -5.335 -0.392 1.00 0.00 H new ATOM 288 N GLU A 51 10.599 -1.219 0.472 1.00 0.00 N ATOM 289 CA GLU A 51 10.344 0.204 0.279 1.00 0.00 C ATOM 290 C GLU A 51 10.405 0.571 -1.201 1.00 0.00 C ATOM 291 O GLU A 51 9.594 1.357 -1.689 1.00 0.00 O ATOM 292 CB GLU A 51 11.357 1.038 1.065 1.00 0.00 C ATOM 293 CG GLU A 51 10.952 2.494 1.226 1.00 0.00 C ATOM 294 CD GLU A 51 11.853 3.247 2.186 1.00 0.00 C ATOM 295 OE1 GLU A 51 11.684 3.082 3.412 1.00 0.00 O ATOM 296 OE2 GLU A 51 12.728 4.000 1.710 1.00 0.00 O ATOM 0 H GLU A 51 11.214 -1.435 1.257 1.00 0.00 H new ATOM 0 HA GLU A 51 9.342 0.421 0.649 1.00 0.00 H new ATOM 0 HB2 GLU A 51 11.491 0.596 2.052 1.00 0.00 H new ATOM 0 HB3 GLU A 51 12.322 0.992 0.561 1.00 0.00 H new ATOM 0 HG2 GLU A 51 10.975 2.983 0.252 1.00 0.00 H new ATOM 0 HG3 GLU A 51 9.924 2.544 1.584 1.00 0.00 H new ATOM 303 N GLU A 52 11.373 -0.004 -1.908 1.00 0.00 N ATOM 304 CA GLU A 52 11.541 0.265 -3.331 1.00 0.00 C ATOM 305 C GLU A 52 10.283 -0.113 -4.108 1.00 0.00 C ATOM 306 O GLU A 52 9.698 0.718 -4.804 1.00 0.00 O ATOM 307 CB GLU A 52 12.743 -0.507 -3.880 1.00 0.00 C ATOM 308 CG GLU A 52 13.241 0.012 -5.218 1.00 0.00 C ATOM 309 CD GLU A 52 14.613 -0.522 -5.578 1.00 0.00 C ATOM 310 OE1 GLU A 52 14.690 -1.638 -6.133 1.00 0.00 O ATOM 311 OE2 GLU A 52 15.612 0.176 -5.304 1.00 0.00 O ATOM 0 H GLU A 52 12.052 -0.658 -1.519 1.00 0.00 H new ATOM 0 HA GLU A 52 11.717 1.334 -3.454 1.00 0.00 H new ATOM 0 HB2 GLU A 52 13.556 -0.459 -3.156 1.00 0.00 H new ATOM 0 HB3 GLU A 52 12.472 -1.557 -3.986 1.00 0.00 H new ATOM 0 HG2 GLU A 52 12.532 -0.265 -5.998 1.00 0.00 H new ATOM 0 HG3 GLU A 52 13.275 1.101 -5.191 1.00 0.00 H new ATOM 318 N ASP A 53 9.874 -1.370 -3.985 1.00 0.00 N ATOM 319 CA ASP A 53 8.685 -1.859 -4.674 1.00 0.00 C ATOM 320 C ASP A 53 7.550 -0.843 -4.586 1.00 0.00 C ATOM 321 O ASP A 53 6.895 -0.540 -5.584 1.00 0.00 O ATOM 322 CB ASP A 53 8.238 -3.195 -4.081 1.00 0.00 C ATOM 323 CG ASP A 53 9.219 -4.315 -4.371 1.00 0.00 C ATOM 324 OD1 ASP A 53 10.360 -4.250 -3.867 1.00 0.00 O ATOM 325 OD2 ASP A 53 8.845 -5.256 -5.101 1.00 0.00 O ATOM 0 H ASP A 53 10.348 -2.070 -3.414 1.00 0.00 H new ATOM 0 HA ASP A 53 8.938 -2.004 -5.724 1.00 0.00 H new ATOM 0 HB2 ASP A 53 8.120 -3.089 -3.003 1.00 0.00 H new ATOM 0 HB3 ASP A 53 7.260 -3.459 -4.484 1.00 0.00 H new ATOM 330 N LEU A 54 7.322 -0.322 -3.386 1.00 0.00 N ATOM 331 CA LEU A 54 6.265 0.659 -3.166 1.00 0.00 C ATOM 332 C LEU A 54 6.488 1.901 -4.023 1.00 0.00 C ATOM 333 O LEU A 54 5.592 2.337 -4.744 1.00 0.00 O ATOM 334 CB LEU A 54 6.203 1.049 -1.688 1.00 0.00 C ATOM 335 CG LEU A 54 5.497 0.059 -0.761 1.00 0.00 C ATOM 336 CD1 LEU A 54 5.615 0.506 0.687 1.00 0.00 C ATOM 337 CD2 LEU A 54 4.036 -0.093 -1.157 1.00 0.00 C ATOM 0 H LEU A 54 7.855 -0.562 -2.550 1.00 0.00 H new ATOM 0 HA LEU A 54 5.317 0.206 -3.455 1.00 0.00 H new ATOM 0 HB2 LEU A 54 7.222 1.190 -1.327 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.700 2.013 -1.608 1.00 0.00 H new ATOM 0 HG LEU A 54 5.983 -0.912 -0.860 1.00 0.00 H new ATOM 0 HD11 LEU A 54 5.107 -0.211 1.332 1.00 0.00 H new ATOM 0 HD12 LEU A 54 6.667 0.562 0.966 1.00 0.00 H new ATOM 0 HD13 LEU A 54 5.156 1.488 0.803 1.00 0.00 H new ATOM 0 HD21 LEU A 54 3.549 -0.801 -0.487 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.538 0.874 -1.087 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.973 -0.461 -2.181 1.00 0.00 H new ATOM 349 N GLU A 55 7.689 2.464 -3.939 1.00 0.00 N ATOM 350 CA GLU A 55 8.030 3.655 -4.708 1.00 0.00 C ATOM 351 C GLU A 55 7.542 3.530 -6.149 1.00 0.00 C ATOM 352 O GLU A 55 6.774 4.363 -6.631 1.00 0.00 O ATOM 353 CB GLU A 55 9.542 3.887 -4.688 1.00 0.00 C ATOM 354 CG GLU A 55 10.020 4.676 -3.480 1.00 0.00 C ATOM 355 CD GLU A 55 11.378 5.314 -3.701 1.00 0.00 C ATOM 356 OE1 GLU A 55 11.711 5.612 -4.867 1.00 0.00 O ATOM 357 OE2 GLU A 55 12.109 5.514 -2.708 1.00 0.00 O ATOM 0 H GLU A 55 8.442 2.115 -3.346 1.00 0.00 H new ATOM 0 HA GLU A 55 7.533 4.509 -4.247 1.00 0.00 H new ATOM 0 HB2 GLU A 55 10.050 2.923 -4.706 1.00 0.00 H new ATOM 0 HB3 GLU A 55 9.832 4.417 -5.595 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.292 5.452 -3.246 1.00 0.00 H new ATOM 0 HG3 GLU A 55 10.070 4.015 -2.615 1.00 0.00 H new ATOM 364 N LYS A 56 7.995 2.484 -6.831 1.00 0.00 N ATOM 365 CA LYS A 56 7.606 2.247 -8.216 1.00 0.00 C ATOM 366 C LYS A 56 6.093 2.095 -8.338 1.00 0.00 C ATOM 367 O LYS A 56 5.450 2.795 -9.121 1.00 0.00 O ATOM 368 CB LYS A 56 8.300 0.994 -8.755 1.00 0.00 C ATOM 369 CG LYS A 56 9.751 1.221 -9.141 1.00 0.00 C ATOM 370 CD LYS A 56 10.609 1.535 -7.927 1.00 0.00 C ATOM 371 CE LYS A 56 12.031 1.897 -8.327 1.00 0.00 C ATOM 372 NZ LYS A 56 12.653 2.849 -7.365 1.00 0.00 N ATOM 0 H LYS A 56 8.632 1.786 -6.447 1.00 0.00 H new ATOM 0 HA LYS A 56 7.916 3.109 -8.807 1.00 0.00 H new ATOM 0 HB2 LYS A 56 8.252 0.209 -8.000 1.00 0.00 H new ATOM 0 HB3 LYS A 56 7.753 0.632 -9.626 1.00 0.00 H new ATOM 0 HG2 LYS A 56 10.138 0.334 -9.642 1.00 0.00 H new ATOM 0 HG3 LYS A 56 9.814 2.043 -9.855 1.00 0.00 H new ATOM 0 HD2 LYS A 56 10.165 2.361 -7.370 1.00 0.00 H new ATOM 0 HD3 LYS A 56 10.626 0.673 -7.260 1.00 0.00 H new ATOM 0 HE2 LYS A 56 12.634 0.991 -8.383 1.00 0.00 H new ATOM 0 HE3 LYS A 56 12.027 2.339 -9.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 13.689 2.776 -7.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 12.360 3.819 -7.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 12.345 2.617 -6.399 1.00 0.00 H new ATOM 386 N LEU A 57 5.530 1.178 -7.559 1.00 0.00 N ATOM 387 CA LEU A 57 4.092 0.936 -7.579 1.00 0.00 C ATOM 388 C LEU A 57 3.321 2.246 -7.699 1.00 0.00 C ATOM 389 O LEU A 57 2.671 2.506 -8.712 1.00 0.00 O ATOM 390 CB LEU A 57 3.663 0.191 -6.313 1.00 0.00 C ATOM 391 CG LEU A 57 2.159 0.137 -6.044 1.00 0.00 C ATOM 392 CD1 LEU A 57 1.459 -0.714 -7.093 1.00 0.00 C ATOM 393 CD2 LEU A 57 1.886 -0.403 -4.648 1.00 0.00 C ATOM 0 H LEU A 57 6.047 0.590 -6.906 1.00 0.00 H new ATOM 0 HA LEU A 57 3.864 0.321 -8.450 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.038 -0.831 -6.372 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.148 0.660 -5.457 1.00 0.00 H new ATOM 0 HG LEU A 57 1.762 1.150 -6.104 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.389 -0.741 -6.885 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.626 -0.284 -8.081 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.859 -1.727 -7.066 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.810 -0.434 -4.474 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.297 -1.409 -4.560 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.354 0.247 -3.909 1.00 0.00 H new ATOM 405 N PHE A 58 3.398 3.069 -6.658 1.00 0.00 N ATOM 406 CA PHE A 58 2.708 4.354 -6.647 1.00 0.00 C ATOM 407 C PHE A 58 3.293 5.294 -7.697 1.00 0.00 C ATOM 408 O PHE A 58 2.568 5.838 -8.531 1.00 0.00 O ATOM 409 CB PHE A 58 2.804 4.996 -5.261 1.00 0.00 C ATOM 410 CG PHE A 58 1.961 4.311 -4.224 1.00 0.00 C ATOM 411 CD1 PHE A 58 0.578 4.370 -4.286 1.00 0.00 C ATOM 412 CD2 PHE A 58 2.551 3.607 -3.187 1.00 0.00 C ATOM 413 CE1 PHE A 58 -0.200 3.741 -3.333 1.00 0.00 C ATOM 414 CE2 PHE A 58 1.779 2.975 -2.230 1.00 0.00 C ATOM 415 CZ PHE A 58 0.401 3.042 -2.304 1.00 0.00 C ATOM 0 H PHE A 58 3.931 2.869 -5.812 1.00 0.00 H new ATOM 0 HA PHE A 58 1.659 4.178 -6.887 1.00 0.00 H new ATOM 0 HB2 PHE A 58 3.844 4.987 -4.936 1.00 0.00 H new ATOM 0 HB3 PHE A 58 2.502 6.041 -5.331 1.00 0.00 H new ATOM 0 HD1 PHE A 58 0.103 4.914 -5.089 1.00 0.00 H new ATOM 0 HD2 PHE A 58 3.628 3.551 -3.125 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -1.277 3.796 -3.392 1.00 0.00 H new ATOM 0 HE2 PHE A 58 2.252 2.430 -1.426 1.00 0.00 H new ATOM 0 HZ PHE A 58 -0.205 2.549 -1.559 1.00 0.00 H new ATOM 425 N SER A 59 4.608 5.482 -7.648 1.00 0.00 N ATOM 426 CA SER A 59 5.290 6.360 -8.592 1.00 0.00 C ATOM 427 C SER A 59 4.641 6.285 -9.971 1.00 0.00 C ATOM 428 O SER A 59 4.493 7.297 -10.655 1.00 0.00 O ATOM 429 CB SER A 59 6.770 5.985 -8.691 1.00 0.00 C ATOM 430 OG SER A 59 7.394 6.657 -9.771 1.00 0.00 O ATOM 0 H SER A 59 5.222 5.038 -6.965 1.00 0.00 H new ATOM 0 HA SER A 59 5.205 7.383 -8.225 1.00 0.00 H new ATOM 0 HB2 SER A 59 7.276 6.239 -7.759 1.00 0.00 H new ATOM 0 HB3 SER A 59 6.868 4.908 -8.824 1.00 0.00 H new ATOM 0 HG SER A 59 8.339 6.402 -9.813 1.00 0.00 H new ATOM 436 N ALA A 60 4.256 5.078 -10.371 1.00 0.00 N ATOM 437 CA ALA A 60 3.621 4.869 -11.667 1.00 0.00 C ATOM 438 C ALA A 60 2.567 5.937 -11.940 1.00 0.00 C ATOM 439 O ALA A 60 2.570 6.571 -12.995 1.00 0.00 O ATOM 440 CB ALA A 60 2.999 3.482 -11.733 1.00 0.00 C ATOM 0 H ALA A 60 4.373 4.230 -9.817 1.00 0.00 H new ATOM 0 HA ALA A 60 4.389 4.948 -12.437 1.00 0.00 H new ATOM 0 HB1 ALA A 60 2.529 3.340 -12.706 1.00 0.00 H new ATOM 0 HB2 ALA A 60 3.774 2.729 -11.591 1.00 0.00 H new ATOM 0 HB3 ALA A 60 2.248 3.382 -10.949 1.00 0.00 H new ATOM 446 N TYR A 61 1.666 6.130 -10.983 1.00 0.00 N ATOM 447 CA TYR A 61 0.604 7.120 -11.122 1.00 0.00 C ATOM 448 C TYR A 61 1.183 8.519 -11.306 1.00 0.00 C ATOM 449 O TYR A 61 0.698 9.302 -12.120 1.00 0.00 O ATOM 450 CB TYR A 61 -0.311 7.091 -9.897 1.00 0.00 C ATOM 451 CG TYR A 61 -1.117 5.818 -9.772 1.00 0.00 C ATOM 452 CD1 TYR A 61 -2.362 5.698 -10.378 1.00 0.00 C ATOM 453 CD2 TYR A 61 -0.634 4.735 -9.048 1.00 0.00 C ATOM 454 CE1 TYR A 61 -3.102 4.537 -10.266 1.00 0.00 C ATOM 455 CE2 TYR A 61 -1.366 3.569 -8.932 1.00 0.00 C ATOM 456 CZ TYR A 61 -2.599 3.475 -9.542 1.00 0.00 C ATOM 457 OH TYR A 61 -3.333 2.317 -9.428 1.00 0.00 O ATOM 0 H TYR A 61 1.650 5.614 -10.103 1.00 0.00 H new ATOM 0 HA TYR A 61 0.022 6.869 -12.009 1.00 0.00 H new ATOM 0 HB2 TYR A 61 0.294 7.217 -8.999 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -0.993 7.940 -9.944 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -2.758 6.527 -10.946 1.00 0.00 H new ATOM 0 HD2 TYR A 61 0.331 4.806 -8.567 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -4.068 4.461 -10.742 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -0.975 2.736 -8.367 1.00 0.00 H new ATOM 0 HH TYR A 61 -2.837 1.667 -8.887 1.00 0.00 H new ATOM 467 N GLY A 62 2.227 8.825 -10.541 1.00 0.00 N ATOM 468 CA GLY A 62 2.857 10.130 -10.634 1.00 0.00 C ATOM 469 C GLY A 62 4.105 10.233 -9.780 1.00 0.00 C ATOM 470 O GLY A 62 4.503 9.282 -9.107 1.00 0.00 O ATOM 0 H GLY A 62 2.647 8.193 -9.859 1.00 0.00 H new ATOM 0 HA2 GLY A 62 3.114 10.333 -11.674 1.00 0.00 H new ATOM 0 HA3 GLY A 62 2.146 10.896 -10.326 1.00 0.00 H new ATOM 474 N PRO A 63 4.745 11.411 -9.800 1.00 0.00 N ATOM 475 CA PRO A 63 5.965 11.663 -9.028 1.00 0.00 C ATOM 476 C PRO A 63 5.699 11.723 -7.527 1.00 0.00 C ATOM 477 O PRO A 63 4.741 12.355 -7.081 1.00 0.00 O ATOM 478 CB PRO A 63 6.436 13.026 -9.542 1.00 0.00 C ATOM 479 CG PRO A 63 5.199 13.690 -10.042 1.00 0.00 C ATOM 480 CD PRO A 63 4.327 12.589 -10.579 1.00 0.00 C ATOM 0 HA PRO A 63 6.699 10.867 -9.155 1.00 0.00 H new ATOM 0 HB2 PRO A 63 6.905 13.608 -8.748 1.00 0.00 H new ATOM 0 HB3 PRO A 63 7.175 12.916 -10.336 1.00 0.00 H new ATOM 0 HG2 PRO A 63 4.695 14.231 -9.241 1.00 0.00 H new ATOM 0 HG3 PRO A 63 5.433 14.417 -10.820 1.00 0.00 H new ATOM 0 HD2 PRO A 63 3.269 12.809 -10.437 1.00 0.00 H new ATOM 0 HD3 PRO A 63 4.481 12.439 -11.648 1.00 0.00 H new ATOM 488 N LEU A 64 6.552 11.061 -6.753 1.00 0.00 N ATOM 489 CA LEU A 64 6.410 11.039 -5.301 1.00 0.00 C ATOM 490 C LEU A 64 7.289 12.103 -4.652 1.00 0.00 C ATOM 491 O LEU A 64 8.404 12.363 -5.105 1.00 0.00 O ATOM 492 CB LEU A 64 6.773 9.658 -4.754 1.00 0.00 C ATOM 493 CG LEU A 64 5.985 8.480 -5.329 1.00 0.00 C ATOM 494 CD1 LEU A 64 6.582 7.161 -4.864 1.00 0.00 C ATOM 495 CD2 LEU A 64 4.519 8.574 -4.930 1.00 0.00 C ATOM 0 H LEU A 64 7.349 10.532 -7.107 1.00 0.00 H new ATOM 0 HA LEU A 64 5.370 11.256 -5.059 1.00 0.00 H new ATOM 0 HB2 LEU A 64 7.833 9.484 -4.937 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.634 9.669 -3.673 1.00 0.00 H new ATOM 0 HG LEU A 64 6.049 8.521 -6.416 1.00 0.00 H new ATOM 0 HD11 LEU A 64 6.008 6.334 -5.283 1.00 0.00 H new ATOM 0 HD12 LEU A 64 7.617 7.092 -5.200 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.549 7.110 -3.776 1.00 0.00 H new ATOM 0 HD21 LEU A 64 3.973 7.728 -5.348 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.436 8.559 -3.843 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.097 9.503 -5.313 1.00 0.00 H new ATOM 507 N SER A 65 6.781 12.714 -3.586 1.00 0.00 N ATOM 508 CA SER A 65 7.519 13.751 -2.875 1.00 0.00 C ATOM 509 C SER A 65 8.320 13.154 -1.722 1.00 0.00 C ATOM 510 O SER A 65 9.500 13.458 -1.550 1.00 0.00 O ATOM 511 CB SER A 65 6.559 14.818 -2.345 1.00 0.00 C ATOM 512 OG SER A 65 7.187 15.630 -1.368 1.00 0.00 O ATOM 0 H SER A 65 5.861 12.508 -3.196 1.00 0.00 H new ATOM 0 HA SER A 65 8.214 14.213 -3.576 1.00 0.00 H new ATOM 0 HB2 SER A 65 6.211 15.440 -3.170 1.00 0.00 H new ATOM 0 HB3 SER A 65 5.680 14.339 -1.914 1.00 0.00 H new ATOM 0 HG SER A 65 6.553 16.305 -1.047 1.00 0.00 H new ATOM 518 N GLU A 66 7.669 12.302 -0.936 1.00 0.00 N ATOM 519 CA GLU A 66 8.321 11.662 0.201 1.00 0.00 C ATOM 520 C GLU A 66 7.650 10.333 0.535 1.00 0.00 C ATOM 521 O GLU A 66 6.436 10.182 0.386 1.00 0.00 O ATOM 522 CB GLU A 66 8.287 12.584 1.421 1.00 0.00 C ATOM 523 CG GLU A 66 8.933 11.981 2.657 1.00 0.00 C ATOM 524 CD GLU A 66 10.431 12.213 2.704 1.00 0.00 C ATOM 525 OE1 GLU A 66 11.093 12.028 1.662 1.00 0.00 O ATOM 526 OE2 GLU A 66 10.940 12.579 3.784 1.00 0.00 O ATOM 0 H GLU A 66 6.692 12.039 -1.065 1.00 0.00 H new ATOM 0 HA GLU A 66 9.359 11.467 -0.070 1.00 0.00 H new ATOM 0 HB2 GLU A 66 8.794 13.517 1.175 1.00 0.00 H new ATOM 0 HB3 GLU A 66 7.251 12.834 1.648 1.00 0.00 H new ATOM 0 HG2 GLU A 66 8.474 12.410 3.548 1.00 0.00 H new ATOM 0 HG3 GLU A 66 8.734 10.910 2.680 1.00 0.00 H new ATOM 533 N LEU A 67 8.448 9.371 0.987 1.00 0.00 N ATOM 534 CA LEU A 67 7.932 8.054 1.342 1.00 0.00 C ATOM 535 C LEU A 67 8.304 7.693 2.777 1.00 0.00 C ATOM 536 O LEU A 67 9.357 8.092 3.276 1.00 0.00 O ATOM 537 CB LEU A 67 8.476 6.996 0.381 1.00 0.00 C ATOM 538 CG LEU A 67 7.852 5.604 0.491 1.00 0.00 C ATOM 539 CD1 LEU A 67 6.487 5.577 -0.180 1.00 0.00 C ATOM 540 CD2 LEU A 67 8.770 4.557 -0.121 1.00 0.00 C ATOM 0 H LEU A 67 9.454 9.479 1.116 1.00 0.00 H new ATOM 0 HA LEU A 67 6.845 8.083 1.264 1.00 0.00 H new ATOM 0 HB2 LEU A 67 8.337 7.355 -0.639 1.00 0.00 H new ATOM 0 HB3 LEU A 67 9.550 6.905 0.543 1.00 0.00 H new ATOM 0 HG LEU A 67 7.720 5.369 1.547 1.00 0.00 H new ATOM 0 HD11 LEU A 67 6.058 4.579 -0.092 1.00 0.00 H new ATOM 0 HD12 LEU A 67 5.829 6.299 0.304 1.00 0.00 H new ATOM 0 HD13 LEU A 67 6.594 5.834 -1.234 1.00 0.00 H new ATOM 0 HD21 LEU A 67 8.309 3.573 -0.033 1.00 0.00 H new ATOM 0 HD22 LEU A 67 8.935 4.788 -1.173 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.725 4.558 0.405 1.00 0.00 H new ATOM 552 N HIS A 68 7.434 6.933 3.435 1.00 0.00 N ATOM 553 CA HIS A 68 7.673 6.515 4.812 1.00 0.00 C ATOM 554 C HIS A 68 7.354 5.034 4.993 1.00 0.00 C ATOM 555 O HIS A 68 6.188 4.642 5.049 1.00 0.00 O ATOM 556 CB HIS A 68 6.829 7.352 5.774 1.00 0.00 C ATOM 557 CG HIS A 68 6.763 6.786 7.159 1.00 0.00 C ATOM 558 ND1 HIS A 68 6.055 5.645 7.473 1.00 0.00 N ATOM 559 CD2 HIS A 68 7.323 7.210 8.317 1.00 0.00 C ATOM 560 CE1 HIS A 68 6.181 5.392 8.764 1.00 0.00 C ATOM 561 NE2 HIS A 68 6.946 6.327 9.299 1.00 0.00 N ATOM 0 H HIS A 68 6.558 6.594 3.037 1.00 0.00 H new ATOM 0 HA HIS A 68 8.728 6.671 5.036 1.00 0.00 H new ATOM 0 HB2 HIS A 68 7.240 8.361 5.822 1.00 0.00 H new ATOM 0 HB3 HIS A 68 5.818 7.438 5.377 1.00 0.00 H new ATOM 0 HD1 HIS A 68 5.518 5.084 6.812 1.00 0.00 H new ATOM 0 HD2 HIS A 68 7.949 8.080 8.444 1.00 0.00 H new ATOM 0 HE1 HIS A 68 5.735 4.562 9.292 1.00 0.00 H new ATOM 570 N TYR A 69 8.397 4.216 5.083 1.00 0.00 N ATOM 571 CA TYR A 69 8.228 2.778 5.254 1.00 0.00 C ATOM 572 C TYR A 69 8.862 2.307 6.559 1.00 0.00 C ATOM 573 O TYR A 69 10.075 2.118 6.658 1.00 0.00 O ATOM 574 CB TYR A 69 8.845 2.026 4.074 1.00 0.00 C ATOM 575 CG TYR A 69 8.250 0.654 3.852 1.00 0.00 C ATOM 576 CD1 TYR A 69 6.874 0.476 3.778 1.00 0.00 C ATOM 577 CD2 TYR A 69 9.063 -0.464 3.717 1.00 0.00 C ATOM 578 CE1 TYR A 69 6.326 -0.776 3.576 1.00 0.00 C ATOM 579 CE2 TYR A 69 8.524 -1.719 3.514 1.00 0.00 C ATOM 580 CZ TYR A 69 7.155 -1.870 3.444 1.00 0.00 C ATOM 581 OH TYR A 69 6.614 -3.119 3.243 1.00 0.00 O ATOM 0 H TYR A 69 9.368 4.524 5.040 1.00 0.00 H new ATOM 0 HA TYR A 69 7.160 2.566 5.292 1.00 0.00 H new ATOM 0 HB2 TYR A 69 8.716 2.619 3.169 1.00 0.00 H new ATOM 0 HB3 TYR A 69 9.918 1.925 4.239 1.00 0.00 H new ATOM 0 HD1 TYR A 69 6.222 1.331 3.880 1.00 0.00 H new ATOM 0 HD2 TYR A 69 10.136 -0.350 3.772 1.00 0.00 H new ATOM 0 HE1 TYR A 69 5.254 -0.897 3.522 1.00 0.00 H new ATOM 0 HE2 TYR A 69 9.171 -2.578 3.411 1.00 0.00 H new ATOM 0 HH TYR A 69 7.313 -3.733 2.935 1.00 0.00 H new ATOM 591 N PRO A 70 8.023 2.111 7.587 1.00 0.00 N ATOM 592 CA PRO A 70 8.477 1.658 8.905 1.00 0.00 C ATOM 593 C PRO A 70 8.951 0.209 8.888 1.00 0.00 C ATOM 594 O PRO A 70 8.328 -0.651 8.264 1.00 0.00 O ATOM 595 CB PRO A 70 7.229 1.802 9.780 1.00 0.00 C ATOM 596 CG PRO A 70 6.087 1.703 8.828 1.00 0.00 C ATOM 597 CD PRO A 70 6.565 2.316 7.541 1.00 0.00 C ATOM 0 HA PRO A 70 9.332 2.233 9.261 1.00 0.00 H new ATOM 0 HB2 PRO A 70 7.183 1.019 10.537 1.00 0.00 H new ATOM 0 HB3 PRO A 70 7.223 2.756 10.308 1.00 0.00 H new ATOM 0 HG2 PRO A 70 5.792 0.664 8.679 1.00 0.00 H new ATOM 0 HG3 PRO A 70 5.213 2.231 9.211 1.00 0.00 H new ATOM 0 HD2 PRO A 70 6.118 1.830 6.674 1.00 0.00 H new ATOM 0 HD3 PRO A 70 6.310 3.374 7.480 1.00 0.00 H new ATOM 605 N ILE A 71 10.055 -0.056 9.578 1.00 0.00 N ATOM 606 CA ILE A 71 10.611 -1.402 9.643 1.00 0.00 C ATOM 607 C ILE A 71 11.144 -1.710 11.038 1.00 0.00 C ATOM 608 O ILE A 71 11.994 -0.990 11.562 1.00 0.00 O ATOM 609 CB ILE A 71 11.745 -1.593 8.619 1.00 0.00 C ATOM 610 CG1 ILE A 71 11.268 -1.202 7.218 1.00 0.00 C ATOM 611 CG2 ILE A 71 12.236 -3.033 8.634 1.00 0.00 C ATOM 612 CD1 ILE A 71 10.246 -2.155 6.640 1.00 0.00 C ATOM 0 H ILE A 71 10.582 0.644 10.100 1.00 0.00 H new ATOM 0 HA ILE A 71 9.799 -2.090 9.407 1.00 0.00 H new ATOM 0 HB ILE A 71 12.576 -0.944 8.894 1.00 0.00 H new ATOM 0 HG12 ILE A 71 10.839 -0.201 7.255 1.00 0.00 H new ATOM 0 HG13 ILE A 71 12.128 -1.155 6.550 1.00 0.00 H new ATOM 0 HG21 ILE A 71 13.037 -3.152 7.905 1.00 0.00 H new ATOM 0 HG22 ILE A 71 12.610 -3.280 9.628 1.00 0.00 H new ATOM 0 HG23 ILE A 71 11.413 -3.701 8.380 1.00 0.00 H new ATOM 0 HD11 ILE A 71 9.953 -1.816 5.646 1.00 0.00 H new ATOM 0 HD12 ILE A 71 10.678 -3.153 6.570 1.00 0.00 H new ATOM 0 HD13 ILE A 71 9.369 -2.184 7.286 1.00 0.00 H new ATOM 624 N ASP A 72 10.639 -2.785 11.634 1.00 0.00 N ATOM 625 CA ASP A 72 11.067 -3.191 12.968 1.00 0.00 C ATOM 626 C ASP A 72 12.575 -3.412 13.012 1.00 0.00 C ATOM 627 O ASP A 72 13.139 -4.086 12.150 1.00 0.00 O ATOM 628 CB ASP A 72 10.339 -4.468 13.393 1.00 0.00 C ATOM 629 CG ASP A 72 8.980 -4.184 14.002 1.00 0.00 C ATOM 630 OD1 ASP A 72 8.412 -3.110 13.713 1.00 0.00 O ATOM 631 OD2 ASP A 72 8.484 -5.037 14.768 1.00 0.00 O ATOM 0 H ASP A 72 9.933 -3.391 11.215 1.00 0.00 H new ATOM 0 HA ASP A 72 10.816 -2.390 13.663 1.00 0.00 H new ATOM 0 HB2 ASP A 72 10.217 -5.119 12.527 1.00 0.00 H new ATOM 0 HB3 ASP A 72 10.951 -5.009 14.114 1.00 0.00 H new ATOM 636 N SER A 73 13.223 -2.838 14.020 1.00 0.00 N ATOM 637 CA SER A 73 14.668 -2.968 14.173 1.00 0.00 C ATOM 638 C SER A 73 15.035 -4.348 14.710 1.00 0.00 C ATOM 639 O SER A 73 16.213 -4.670 14.876 1.00 0.00 O ATOM 640 CB SER A 73 15.202 -1.884 15.112 1.00 0.00 C ATOM 641 OG SER A 73 16.557 -1.585 14.827 1.00 0.00 O ATOM 0 H SER A 73 12.771 -2.278 14.743 1.00 0.00 H new ATOM 0 HA SER A 73 15.125 -2.846 13.191 1.00 0.00 H new ATOM 0 HB2 SER A 73 14.598 -0.982 15.012 1.00 0.00 H new ATOM 0 HB3 SER A 73 15.109 -2.216 16.146 1.00 0.00 H new ATOM 0 HG SER A 73 16.874 -0.889 15.439 1.00 0.00 H new ATOM 647 N LEU A 74 14.019 -5.160 14.980 1.00 0.00 N ATOM 648 CA LEU A 74 14.233 -6.507 15.498 1.00 0.00 C ATOM 649 C LEU A 74 14.022 -7.551 14.406 1.00 0.00 C ATOM 650 O LEU A 74 14.906 -8.361 14.126 1.00 0.00 O ATOM 651 CB LEU A 74 13.289 -6.780 16.670 1.00 0.00 C ATOM 652 CG LEU A 74 13.399 -5.823 17.858 1.00 0.00 C ATOM 653 CD1 LEU A 74 12.191 -5.965 18.771 1.00 0.00 C ATOM 654 CD2 LEU A 74 14.686 -6.076 18.629 1.00 0.00 C ATOM 0 H LEU A 74 13.039 -4.909 14.849 1.00 0.00 H new ATOM 0 HA LEU A 74 15.264 -6.576 15.846 1.00 0.00 H new ATOM 0 HB2 LEU A 74 12.264 -6.751 16.299 1.00 0.00 H new ATOM 0 HB3 LEU A 74 13.470 -7.794 17.028 1.00 0.00 H new ATOM 0 HG LEU A 74 13.422 -4.802 17.477 1.00 0.00 H new ATOM 0 HD11 LEU A 74 12.287 -5.277 19.611 1.00 0.00 H new ATOM 0 HD12 LEU A 74 11.284 -5.733 18.213 1.00 0.00 H new ATOM 0 HD13 LEU A 74 12.136 -6.987 19.145 1.00 0.00 H new ATOM 0 HD21 LEU A 74 14.748 -5.386 19.471 1.00 0.00 H new ATOM 0 HD22 LEU A 74 14.693 -7.101 18.999 1.00 0.00 H new ATOM 0 HD23 LEU A 74 15.541 -5.922 17.971 1.00 0.00 H new ATOM 666 N THR A 75 12.844 -7.525 13.790 1.00 0.00 N ATOM 667 CA THR A 75 12.516 -8.467 12.728 1.00 0.00 C ATOM 668 C THR A 75 12.901 -7.911 11.361 1.00 0.00 C ATOM 669 O THR A 75 12.729 -8.575 10.338 1.00 0.00 O ATOM 670 CB THR A 75 11.015 -8.811 12.725 1.00 0.00 C ATOM 671 OG1 THR A 75 10.280 -7.792 12.039 1.00 0.00 O ATOM 672 CG2 THR A 75 10.490 -8.953 14.146 1.00 0.00 C ATOM 0 H THR A 75 12.101 -6.861 14.009 1.00 0.00 H new ATOM 0 HA THR A 75 13.088 -9.374 12.923 1.00 0.00 H new ATOM 0 HB THR A 75 10.884 -9.762 12.209 1.00 0.00 H new ATOM 0 HG1 THR A 75 9.327 -8.019 12.040 1.00 0.00 H new ATOM 0 HG21 THR A 75 9.428 -9.196 14.119 1.00 0.00 H new ATOM 0 HG22 THR A 75 11.032 -9.750 14.656 1.00 0.00 H new ATOM 0 HG23 THR A 75 10.634 -8.015 14.683 1.00 0.00 H new ATOM 680 N LYS A 76 13.423 -6.690 11.350 1.00 0.00 N ATOM 681 CA LYS A 76 13.834 -6.044 10.110 1.00 0.00 C ATOM 682 C LYS A 76 12.713 -6.086 9.077 1.00 0.00 C ATOM 683 O LYS A 76 12.963 -6.066 7.871 1.00 0.00 O ATOM 684 CB LYS A 76 15.085 -6.723 9.548 1.00 0.00 C ATOM 685 CG LYS A 76 16.251 -6.750 10.520 1.00 0.00 C ATOM 686 CD LYS A 76 15.917 -7.546 11.770 1.00 0.00 C ATOM 687 CE LYS A 76 17.167 -8.133 12.409 1.00 0.00 C ATOM 688 NZ LYS A 76 18.034 -7.077 13.002 1.00 0.00 N ATOM 0 H LYS A 76 13.572 -6.127 12.187 1.00 0.00 H new ATOM 0 HA LYS A 76 14.062 -5.001 10.331 1.00 0.00 H new ATOM 0 HB2 LYS A 76 14.836 -7.745 9.263 1.00 0.00 H new ATOM 0 HB3 LYS A 76 15.392 -6.205 8.639 1.00 0.00 H new ATOM 0 HG2 LYS A 76 17.123 -7.186 10.032 1.00 0.00 H new ATOM 0 HG3 LYS A 76 16.518 -5.730 10.798 1.00 0.00 H new ATOM 0 HD2 LYS A 76 15.409 -6.902 12.488 1.00 0.00 H new ATOM 0 HD3 LYS A 76 15.225 -8.349 11.517 1.00 0.00 H new ATOM 0 HE2 LYS A 76 16.879 -8.844 13.183 1.00 0.00 H new ATOM 0 HE3 LYS A 76 17.731 -8.688 11.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 18.875 -7.517 13.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 18.329 -6.412 12.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 17.504 -6.564 13.735 1.00 0.00 H new ATOM 702 N LYS A 77 11.475 -6.142 9.556 1.00 0.00 N ATOM 703 CA LYS A 77 10.314 -6.183 8.675 1.00 0.00 C ATOM 704 C LYS A 77 9.262 -5.169 9.113 1.00 0.00 C ATOM 705 O LYS A 77 9.128 -4.849 10.294 1.00 0.00 O ATOM 706 CB LYS A 77 9.708 -7.589 8.661 1.00 0.00 C ATOM 707 CG LYS A 77 10.545 -8.604 7.903 1.00 0.00 C ATOM 708 CD LYS A 77 9.802 -9.918 7.726 1.00 0.00 C ATOM 709 CE LYS A 77 10.720 -11.010 7.196 1.00 0.00 C ATOM 710 NZ LYS A 77 10.964 -10.868 5.734 1.00 0.00 N ATOM 0 H LYS A 77 11.250 -6.160 10.551 1.00 0.00 H new ATOM 0 HA LYS A 77 10.644 -5.926 7.668 1.00 0.00 H new ATOM 0 HB2 LYS A 77 9.580 -7.931 9.688 1.00 0.00 H new ATOM 0 HB3 LYS A 77 8.715 -7.543 8.214 1.00 0.00 H new ATOM 0 HG2 LYS A 77 10.811 -8.201 6.926 1.00 0.00 H new ATOM 0 HG3 LYS A 77 11.477 -8.781 8.439 1.00 0.00 H new ATOM 0 HD2 LYS A 77 9.378 -10.229 8.681 1.00 0.00 H new ATOM 0 HD3 LYS A 77 8.968 -9.776 7.038 1.00 0.00 H new ATOM 0 HE2 LYS A 77 11.671 -10.975 7.728 1.00 0.00 H new ATOM 0 HE3 LYS A 77 10.278 -11.986 7.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 11.594 -11.630 5.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 10.060 -10.927 5.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 11.409 -9.948 5.544 1.00 0.00 H new ATOM 724 N PRO A 78 8.495 -4.653 8.141 1.00 0.00 N ATOM 725 CA PRO A 78 7.440 -3.669 8.403 1.00 0.00 C ATOM 726 C PRO A 78 6.256 -4.274 9.149 1.00 0.00 C ATOM 727 O PRO A 78 5.976 -5.467 9.028 1.00 0.00 O ATOM 728 CB PRO A 78 7.017 -3.222 7.001 1.00 0.00 C ATOM 729 CG PRO A 78 7.367 -4.368 6.116 1.00 0.00 C ATOM 730 CD PRO A 78 8.600 -4.990 6.711 1.00 0.00 C ATOM 0 HA PRO A 78 7.790 -2.855 9.038 1.00 0.00 H new ATOM 0 HB2 PRO A 78 5.950 -3.002 6.961 1.00 0.00 H new ATOM 0 HB3 PRO A 78 7.541 -2.315 6.700 1.00 0.00 H new ATOM 0 HG2 PRO A 78 6.550 -5.088 6.069 1.00 0.00 H new ATOM 0 HG3 PRO A 78 7.553 -4.031 5.096 1.00 0.00 H new ATOM 0 HD2 PRO A 78 8.623 -6.068 6.553 1.00 0.00 H new ATOM 0 HD3 PRO A 78 9.509 -4.584 6.268 1.00 0.00 H new ATOM 738 N LYS A 79 5.563 -3.444 9.921 1.00 0.00 N ATOM 739 CA LYS A 79 4.407 -3.896 10.686 1.00 0.00 C ATOM 740 C LYS A 79 3.186 -4.054 9.786 1.00 0.00 C ATOM 741 O LYS A 79 2.180 -4.638 10.186 1.00 0.00 O ATOM 742 CB LYS A 79 4.098 -2.907 11.813 1.00 0.00 C ATOM 743 CG LYS A 79 5.139 -2.901 12.919 1.00 0.00 C ATOM 744 CD LYS A 79 5.246 -1.535 13.576 1.00 0.00 C ATOM 745 CE LYS A 79 6.341 -1.508 14.632 1.00 0.00 C ATOM 746 NZ LYS A 79 6.062 -0.503 15.695 1.00 0.00 N ATOM 0 H LYS A 79 5.782 -2.454 10.033 1.00 0.00 H new ATOM 0 HA LYS A 79 4.646 -4.868 11.118 1.00 0.00 H new ATOM 0 HB2 LYS A 79 4.020 -1.904 11.394 1.00 0.00 H new ATOM 0 HB3 LYS A 79 3.126 -3.150 12.242 1.00 0.00 H new ATOM 0 HG2 LYS A 79 4.878 -3.647 13.669 1.00 0.00 H new ATOM 0 HG3 LYS A 79 6.108 -3.186 12.509 1.00 0.00 H new ATOM 0 HD2 LYS A 79 5.452 -0.780 12.817 1.00 0.00 H new ATOM 0 HD3 LYS A 79 4.292 -1.274 14.033 1.00 0.00 H new ATOM 0 HE2 LYS A 79 6.436 -2.496 15.082 1.00 0.00 H new ATOM 0 HE3 LYS A 79 7.296 -1.281 14.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 6.831 -0.516 16.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 5.997 0.444 15.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 5.163 -0.734 16.164 1.00 0.00 H new ATOM 760 N GLY A 80 3.284 -3.532 8.567 1.00 0.00 N ATOM 761 CA GLY A 80 2.181 -3.628 7.629 1.00 0.00 C ATOM 762 C GLY A 80 1.478 -2.301 7.422 1.00 0.00 C ATOM 763 O GLY A 80 0.264 -2.257 7.224 1.00 0.00 O ATOM 0 H GLY A 80 4.107 -3.045 8.213 1.00 0.00 H new ATOM 0 HA2 GLY A 80 2.553 -3.992 6.671 1.00 0.00 H new ATOM 0 HA3 GLY A 80 1.463 -4.363 7.992 1.00 0.00 H new ATOM 767 N PHE A 81 2.243 -1.215 7.470 1.00 0.00 N ATOM 768 CA PHE A 81 1.686 0.121 7.289 1.00 0.00 C ATOM 769 C PHE A 81 2.754 1.094 6.799 1.00 0.00 C ATOM 770 O PHE A 81 3.939 0.929 7.089 1.00 0.00 O ATOM 771 CB PHE A 81 1.083 0.627 8.602 1.00 0.00 C ATOM 772 CG PHE A 81 2.081 1.302 9.499 1.00 0.00 C ATOM 773 CD1 PHE A 81 2.389 2.642 9.330 1.00 0.00 C ATOM 774 CD2 PHE A 81 2.712 0.595 10.510 1.00 0.00 C ATOM 775 CE1 PHE A 81 3.306 3.266 10.154 1.00 0.00 C ATOM 776 CE2 PHE A 81 3.630 1.214 11.337 1.00 0.00 C ATOM 777 CZ PHE A 81 3.929 2.551 11.158 1.00 0.00 C ATOM 0 H PHE A 81 3.250 -1.234 7.633 1.00 0.00 H new ATOM 0 HA PHE A 81 0.901 0.061 6.535 1.00 0.00 H new ATOM 0 HB2 PHE A 81 0.278 1.326 8.377 1.00 0.00 H new ATOM 0 HB3 PHE A 81 0.637 -0.213 9.135 1.00 0.00 H new ATOM 0 HD1 PHE A 81 1.907 3.206 8.545 1.00 0.00 H new ATOM 0 HD2 PHE A 81 2.484 -0.451 10.653 1.00 0.00 H new ATOM 0 HE1 PHE A 81 3.535 4.312 10.013 1.00 0.00 H new ATOM 0 HE2 PHE A 81 4.114 0.653 12.123 1.00 0.00 H new ATOM 0 HZ PHE A 81 4.648 3.036 11.802 1.00 0.00 H new ATOM 787 N ALA A 82 2.325 2.107 6.053 1.00 0.00 N ATOM 788 CA ALA A 82 3.244 3.107 5.523 1.00 0.00 C ATOM 789 C ALA A 82 2.512 4.404 5.194 1.00 0.00 C ATOM 790 O ALA A 82 1.286 4.476 5.278 1.00 0.00 O ATOM 791 CB ALA A 82 3.952 2.571 4.287 1.00 0.00 C ATOM 0 H ALA A 82 1.348 2.257 5.802 1.00 0.00 H new ATOM 0 HA ALA A 82 3.988 3.324 6.289 1.00 0.00 H new ATOM 0 HB1 ALA A 82 4.635 3.328 3.902 1.00 0.00 H new ATOM 0 HB2 ALA A 82 4.514 1.675 4.550 1.00 0.00 H new ATOM 0 HB3 ALA A 82 3.214 2.325 3.523 1.00 0.00 H new ATOM 797 N PHE A 83 3.272 5.428 4.820 1.00 0.00 N ATOM 798 CA PHE A 83 2.696 6.724 4.481 1.00 0.00 C ATOM 799 C PHE A 83 3.287 7.258 3.179 1.00 0.00 C ATOM 800 O PHE A 83 4.488 7.513 3.088 1.00 0.00 O ATOM 801 CB PHE A 83 2.937 7.725 5.612 1.00 0.00 C ATOM 802 CG PHE A 83 1.932 7.627 6.724 1.00 0.00 C ATOM 803 CD1 PHE A 83 0.756 8.358 6.679 1.00 0.00 C ATOM 804 CD2 PHE A 83 2.164 6.804 7.814 1.00 0.00 C ATOM 805 CE1 PHE A 83 -0.171 8.270 7.700 1.00 0.00 C ATOM 806 CE2 PHE A 83 1.240 6.711 8.838 1.00 0.00 C ATOM 807 CZ PHE A 83 0.072 7.446 8.781 1.00 0.00 C ATOM 0 H PHE A 83 4.288 5.385 4.744 1.00 0.00 H new ATOM 0 HA PHE A 83 1.623 6.592 4.345 1.00 0.00 H new ATOM 0 HB2 PHE A 83 3.935 7.566 6.020 1.00 0.00 H new ATOM 0 HB3 PHE A 83 2.917 8.735 5.203 1.00 0.00 H new ATOM 0 HD1 PHE A 83 0.561 9.004 5.836 1.00 0.00 H new ATOM 0 HD2 PHE A 83 3.077 6.229 7.864 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -1.084 8.845 7.653 1.00 0.00 H new ATOM 0 HE2 PHE A 83 1.431 6.064 9.682 1.00 0.00 H new ATOM 0 HZ PHE A 83 -0.650 7.376 9.581 1.00 0.00 H new ATOM 817 N VAL A 84 2.435 7.424 2.173 1.00 0.00 N ATOM 818 CA VAL A 84 2.871 7.928 0.876 1.00 0.00 C ATOM 819 C VAL A 84 2.441 9.377 0.677 1.00 0.00 C ATOM 820 O VAL A 84 1.307 9.748 0.980 1.00 0.00 O ATOM 821 CB VAL A 84 2.309 7.074 -0.276 1.00 0.00 C ATOM 822 CG1 VAL A 84 2.808 7.591 -1.616 1.00 0.00 C ATOM 823 CG2 VAL A 84 2.683 5.612 -0.086 1.00 0.00 C ATOM 0 H VAL A 84 1.438 7.217 2.231 1.00 0.00 H new ATOM 0 HA VAL A 84 3.959 7.870 0.863 1.00 0.00 H new ATOM 0 HB VAL A 84 1.222 7.151 -0.266 1.00 0.00 H new ATOM 0 HG11 VAL A 84 2.401 6.975 -2.418 1.00 0.00 H new ATOM 0 HG12 VAL A 84 2.485 8.623 -1.751 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.897 7.546 -1.641 1.00 0.00 H new ATOM 0 HG21 VAL A 84 2.278 5.023 -0.909 1.00 0.00 H new ATOM 0 HG22 VAL A 84 3.768 5.513 -0.069 1.00 0.00 H new ATOM 0 HG23 VAL A 84 2.271 5.251 0.856 1.00 0.00 H new ATOM 833 N THR A 85 3.356 10.194 0.164 1.00 0.00 N ATOM 834 CA THR A 85 3.073 11.604 -0.076 1.00 0.00 C ATOM 835 C THR A 85 3.350 11.981 -1.527 1.00 0.00 C ATOM 836 O THR A 85 4.503 12.147 -1.927 1.00 0.00 O ATOM 837 CB THR A 85 3.909 12.510 0.847 1.00 0.00 C ATOM 838 OG1 THR A 85 3.698 12.144 2.215 1.00 0.00 O ATOM 839 CG2 THR A 85 3.542 13.973 0.646 1.00 0.00 C ATOM 0 H THR A 85 4.299 9.903 -0.093 1.00 0.00 H new ATOM 0 HA THR A 85 2.015 11.755 0.140 1.00 0.00 H new ATOM 0 HB THR A 85 4.961 12.377 0.594 1.00 0.00 H new ATOM 0 HG1 THR A 85 4.234 12.724 2.795 1.00 0.00 H new ATOM 0 HG21 THR A 85 4.145 14.594 1.308 1.00 0.00 H new ATOM 0 HG22 THR A 85 3.731 14.257 -0.389 1.00 0.00 H new ATOM 0 HG23 THR A 85 2.486 14.118 0.875 1.00 0.00 H new ATOM 847 N PHE A 86 2.286 12.116 -2.312 1.00 0.00 N ATOM 848 CA PHE A 86 2.415 12.474 -3.720 1.00 0.00 C ATOM 849 C PHE A 86 2.809 13.940 -3.874 1.00 0.00 C ATOM 850 O PHE A 86 2.507 14.769 -3.017 1.00 0.00 O ATOM 851 CB PHE A 86 1.103 12.206 -4.459 1.00 0.00 C ATOM 852 CG PHE A 86 0.944 10.780 -4.901 1.00 0.00 C ATOM 853 CD1 PHE A 86 1.560 10.326 -6.057 1.00 0.00 C ATOM 854 CD2 PHE A 86 0.179 9.892 -4.162 1.00 0.00 C ATOM 855 CE1 PHE A 86 1.415 9.014 -6.466 1.00 0.00 C ATOM 856 CE2 PHE A 86 0.030 8.579 -4.567 1.00 0.00 C ATOM 857 CZ PHE A 86 0.650 8.139 -5.720 1.00 0.00 C ATOM 0 H PHE A 86 1.325 11.983 -1.997 1.00 0.00 H new ATOM 0 HA PHE A 86 3.201 11.857 -4.156 1.00 0.00 H new ATOM 0 HB2 PHE A 86 0.269 12.472 -3.810 1.00 0.00 H new ATOM 0 HB3 PHE A 86 1.047 12.857 -5.332 1.00 0.00 H new ATOM 0 HD1 PHE A 86 2.160 11.005 -6.644 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -0.307 10.230 -3.259 1.00 0.00 H new ATOM 0 HE1 PHE A 86 1.900 8.673 -7.369 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -0.571 7.898 -3.982 1.00 0.00 H new ATOM 0 HZ PHE A 86 0.537 7.113 -6.038 1.00 0.00 H new ATOM 867 N MET A 87 3.487 14.251 -4.974 1.00 0.00 N ATOM 868 CA MET A 87 3.922 15.617 -5.242 1.00 0.00 C ATOM 869 C MET A 87 2.730 16.518 -5.546 1.00 0.00 C ATOM 870 O MET A 87 2.642 17.639 -5.044 1.00 0.00 O ATOM 871 CB MET A 87 4.906 15.641 -6.414 1.00 0.00 C ATOM 872 CG MET A 87 6.357 15.474 -5.992 1.00 0.00 C ATOM 873 SD MET A 87 7.514 16.103 -7.224 1.00 0.00 S ATOM 874 CE MET A 87 8.326 17.402 -6.294 1.00 0.00 C ATOM 0 H MET A 87 3.747 13.576 -5.694 1.00 0.00 H new ATOM 0 HA MET A 87 4.421 15.994 -4.349 1.00 0.00 H new ATOM 0 HB2 MET A 87 4.646 14.846 -7.113 1.00 0.00 H new ATOM 0 HB3 MET A 87 4.798 16.584 -6.949 1.00 0.00 H new ATOM 0 HG2 MET A 87 6.519 15.994 -5.048 1.00 0.00 H new ATOM 0 HG3 MET A 87 6.560 14.418 -5.813 1.00 0.00 H new ATOM 0 HE1 MET A 87 9.073 17.887 -6.923 1.00 0.00 H new ATOM 0 HE2 MET A 87 7.587 18.137 -5.975 1.00 0.00 H new ATOM 0 HE3 MET A 87 8.813 16.973 -5.418 1.00 0.00 H new ATOM 884 N PHE A 88 1.813 16.022 -6.370 1.00 0.00 N ATOM 885 CA PHE A 88 0.626 16.783 -6.742 1.00 0.00 C ATOM 886 C PHE A 88 -0.639 16.103 -6.227 1.00 0.00 C ATOM 887 O PHE A 88 -0.740 14.877 -6.179 1.00 0.00 O ATOM 888 CB PHE A 88 0.551 16.941 -8.262 1.00 0.00 C ATOM 889 CG PHE A 88 1.752 17.622 -8.854 1.00 0.00 C ATOM 890 CD1 PHE A 88 1.897 18.997 -8.769 1.00 0.00 C ATOM 891 CD2 PHE A 88 2.736 16.887 -9.494 1.00 0.00 C ATOM 892 CE1 PHE A 88 3.001 19.626 -9.313 1.00 0.00 C ATOM 893 CE2 PHE A 88 3.843 17.510 -10.040 1.00 0.00 C ATOM 894 CZ PHE A 88 3.976 18.882 -9.949 1.00 0.00 C ATOM 0 H PHE A 88 1.869 15.096 -6.793 1.00 0.00 H new ATOM 0 HA PHE A 88 0.699 17.770 -6.284 1.00 0.00 H new ATOM 0 HB2 PHE A 88 0.441 15.956 -8.717 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -0.342 17.511 -8.516 1.00 0.00 H new ATOM 0 HD1 PHE A 88 1.139 19.584 -8.272 1.00 0.00 H new ATOM 0 HD2 PHE A 88 2.637 15.814 -9.567 1.00 0.00 H new ATOM 0 HE1 PHE A 88 3.101 20.699 -9.241 1.00 0.00 H new ATOM 0 HE2 PHE A 88 4.603 16.925 -10.537 1.00 0.00 H new ATOM 0 HZ PHE A 88 4.840 19.372 -10.374 1.00 0.00 H new ATOM 904 N PRO A 89 -1.629 16.917 -5.832 1.00 0.00 N ATOM 905 CA PRO A 89 -2.906 16.417 -5.313 1.00 0.00 C ATOM 906 C PRO A 89 -3.751 15.754 -6.395 1.00 0.00 C ATOM 907 O PRO A 89 -4.479 14.799 -6.128 1.00 0.00 O ATOM 908 CB PRO A 89 -3.596 17.681 -4.794 1.00 0.00 C ATOM 909 CG PRO A 89 -3.000 18.792 -5.587 1.00 0.00 C ATOM 910 CD PRO A 89 -1.578 18.388 -5.861 1.00 0.00 C ATOM 0 HA PRO A 89 -2.765 15.649 -4.553 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -4.676 17.629 -4.935 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -3.420 17.818 -3.727 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -3.548 18.946 -6.517 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -3.040 19.731 -5.035 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -1.234 18.759 -6.826 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -0.896 18.781 -5.107 1.00 0.00 H new ATOM 918 N GLU A 90 -3.649 16.268 -7.617 1.00 0.00 N ATOM 919 CA GLU A 90 -4.405 15.724 -8.739 1.00 0.00 C ATOM 920 C GLU A 90 -4.041 14.263 -8.984 1.00 0.00 C ATOM 921 O GLU A 90 -4.878 13.466 -9.412 1.00 0.00 O ATOM 922 CB GLU A 90 -4.145 16.545 -10.004 1.00 0.00 C ATOM 923 CG GLU A 90 -2.718 16.437 -10.516 1.00 0.00 C ATOM 924 CD GLU A 90 -2.515 17.159 -11.834 1.00 0.00 C ATOM 925 OE1 GLU A 90 -3.260 16.866 -12.792 1.00 0.00 O ATOM 926 OE2 GLU A 90 -1.611 18.018 -11.906 1.00 0.00 O ATOM 0 H GLU A 90 -3.051 17.059 -7.855 1.00 0.00 H new ATOM 0 HA GLU A 90 -5.465 15.779 -8.490 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -4.829 16.217 -10.787 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -4.371 17.592 -9.801 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -2.037 16.849 -9.772 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -2.458 15.385 -10.638 1.00 0.00 H new ATOM 933 N HIS A 91 -2.788 13.917 -8.709 1.00 0.00 N ATOM 934 CA HIS A 91 -2.312 12.551 -8.899 1.00 0.00 C ATOM 935 C HIS A 91 -2.709 11.669 -7.720 1.00 0.00 C ATOM 936 O HIS A 91 -3.230 10.569 -7.902 1.00 0.00 O ATOM 937 CB HIS A 91 -0.793 12.538 -9.073 1.00 0.00 C ATOM 938 CG HIS A 91 -0.312 13.387 -10.209 1.00 0.00 C ATOM 939 ND1 HIS A 91 0.939 13.966 -10.239 1.00 0.00 N ATOM 940 CD2 HIS A 91 -0.922 13.753 -11.361 1.00 0.00 C ATOM 941 CE1 HIS A 91 1.077 14.653 -11.359 1.00 0.00 C ATOM 942 NE2 HIS A 91 -0.038 14.539 -12.058 1.00 0.00 N ATOM 0 H HIS A 91 -2.083 14.563 -8.354 1.00 0.00 H new ATOM 0 HA HIS A 91 -2.777 12.152 -9.801 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -0.327 12.883 -8.150 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -0.463 11.512 -9.232 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -1.919 13.478 -11.673 1.00 0.00 H new ATOM 0 HE1 HIS A 91 1.953 15.213 -11.653 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -0.214 14.966 -12.968 1.00 0.00 H new ATOM 951 N ALA A 92 -2.458 12.158 -6.510 1.00 0.00 N ATOM 952 CA ALA A 92 -2.790 11.415 -5.301 1.00 0.00 C ATOM 953 C ALA A 92 -4.230 10.916 -5.342 1.00 0.00 C ATOM 954 O ALA A 92 -4.525 9.803 -4.905 1.00 0.00 O ATOM 955 CB ALA A 92 -2.564 12.280 -4.070 1.00 0.00 C ATOM 0 H ALA A 92 -2.026 13.066 -6.341 1.00 0.00 H new ATOM 0 HA ALA A 92 -2.133 10.547 -5.246 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -2.816 11.712 -3.175 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -1.518 12.583 -4.025 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -3.196 13.166 -4.127 1.00 0.00 H new ATOM 961 N VAL A 93 -5.125 11.746 -5.868 1.00 0.00 N ATOM 962 CA VAL A 93 -6.535 11.388 -5.967 1.00 0.00 C ATOM 963 C VAL A 93 -6.739 10.216 -6.920 1.00 0.00 C ATOM 964 O VAL A 93 -7.393 9.230 -6.578 1.00 0.00 O ATOM 965 CB VAL A 93 -7.384 12.580 -6.446 1.00 0.00 C ATOM 966 CG1 VAL A 93 -8.833 12.160 -6.639 1.00 0.00 C ATOM 967 CG2 VAL A 93 -7.282 13.737 -5.464 1.00 0.00 C ATOM 0 H VAL A 93 -4.899 12.671 -6.232 1.00 0.00 H new ATOM 0 HA VAL A 93 -6.859 11.099 -4.967 1.00 0.00 H new ATOM 0 HB VAL A 93 -6.996 12.916 -7.408 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -9.418 13.015 -6.978 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -8.886 11.366 -7.384 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -9.236 11.797 -5.693 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -7.888 14.570 -5.819 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -7.642 13.417 -4.486 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -6.242 14.054 -5.382 1.00 0.00 H new ATOM 977 N LYS A 94 -6.175 10.329 -8.118 1.00 0.00 N ATOM 978 CA LYS A 94 -6.293 9.279 -9.122 1.00 0.00 C ATOM 979 C LYS A 94 -5.838 7.936 -8.560 1.00 0.00 C ATOM 980 O LYS A 94 -6.450 6.902 -8.826 1.00 0.00 O ATOM 981 CB LYS A 94 -5.466 9.633 -10.359 1.00 0.00 C ATOM 982 CG LYS A 94 -5.346 8.494 -11.357 1.00 0.00 C ATOM 983 CD LYS A 94 -4.120 8.653 -12.241 1.00 0.00 C ATOM 984 CE LYS A 94 -4.021 7.533 -13.264 1.00 0.00 C ATOM 985 NZ LYS A 94 -2.956 7.794 -14.272 1.00 0.00 N ATOM 0 H LYS A 94 -5.631 11.138 -8.417 1.00 0.00 H new ATOM 0 HA LYS A 94 -7.342 9.198 -9.405 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -5.918 10.493 -10.854 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -4.467 9.935 -10.044 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -5.290 7.546 -10.823 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -6.241 8.458 -11.978 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -4.163 9.613 -12.755 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -3.223 8.662 -11.622 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -3.815 6.592 -12.754 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -4.979 7.418 -13.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -2.921 7.007 -14.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -3.165 8.679 -14.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -2.037 7.879 -13.792 1.00 0.00 H new ATOM 999 N ALA A 95 -4.762 7.959 -7.781 1.00 0.00 N ATOM 1000 CA ALA A 95 -4.227 6.744 -7.179 1.00 0.00 C ATOM 1001 C ALA A 95 -5.153 6.220 -6.086 1.00 0.00 C ATOM 1002 O ALA A 95 -5.548 5.054 -6.100 1.00 0.00 O ATOM 1003 CB ALA A 95 -2.837 7.001 -6.617 1.00 0.00 C ATOM 0 H ALA A 95 -4.243 8.807 -7.552 1.00 0.00 H new ATOM 0 HA ALA A 95 -4.157 5.983 -7.956 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -2.450 6.085 -6.171 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -2.173 7.322 -7.420 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -2.890 7.781 -5.857 1.00 0.00 H new ATOM 1009 N TYR A 96 -5.495 7.088 -5.140 1.00 0.00 N ATOM 1010 CA TYR A 96 -6.372 6.711 -4.038 1.00 0.00 C ATOM 1011 C TYR A 96 -7.664 6.090 -4.558 1.00 0.00 C ATOM 1012 O TYR A 96 -8.356 5.372 -3.836 1.00 0.00 O ATOM 1013 CB TYR A 96 -6.691 7.931 -3.173 1.00 0.00 C ATOM 1014 CG TYR A 96 -8.022 7.838 -2.462 1.00 0.00 C ATOM 1015 CD1 TYR A 96 -8.295 6.789 -1.591 1.00 0.00 C ATOM 1016 CD2 TYR A 96 -9.008 8.796 -2.661 1.00 0.00 C ATOM 1017 CE1 TYR A 96 -9.510 6.699 -0.940 1.00 0.00 C ATOM 1018 CE2 TYR A 96 -10.225 8.715 -2.013 1.00 0.00 C ATOM 1019 CZ TYR A 96 -10.471 7.665 -1.154 1.00 0.00 C ATOM 1020 OH TYR A 96 -11.683 7.579 -0.508 1.00 0.00 O ATOM 0 H TYR A 96 -5.178 8.057 -5.114 1.00 0.00 H new ATOM 0 HA TYR A 96 -5.853 5.969 -3.431 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -5.901 8.057 -2.433 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -6.685 8.822 -3.800 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -7.544 6.032 -1.421 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -8.820 9.619 -3.335 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -9.706 5.877 -0.267 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -10.980 9.470 -2.178 1.00 0.00 H new ATOM 0 HH TYR A 96 -12.246 8.338 -0.767 1.00 0.00 H new ATOM 1030 N ALA A 97 -7.983 6.371 -5.817 1.00 0.00 N ATOM 1031 CA ALA A 97 -9.191 5.838 -6.436 1.00 0.00 C ATOM 1032 C ALA A 97 -8.949 4.442 -7.000 1.00 0.00 C ATOM 1033 O ALA A 97 -9.798 3.559 -6.880 1.00 0.00 O ATOM 1034 CB ALA A 97 -9.679 6.774 -7.532 1.00 0.00 C ATOM 0 H ALA A 97 -7.422 6.964 -6.428 1.00 0.00 H new ATOM 0 HA ALA A 97 -9.960 5.763 -5.668 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -10.581 6.364 -7.986 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -9.900 7.752 -7.104 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -8.905 6.878 -8.293 1.00 0.00 H new ATOM 1040 N GLU A 98 -7.786 4.250 -7.615 1.00 0.00 N ATOM 1041 CA GLU A 98 -7.435 2.961 -8.198 1.00 0.00 C ATOM 1042 C GLU A 98 -6.827 2.036 -7.147 1.00 0.00 C ATOM 1043 O GLU A 98 -7.346 0.951 -6.883 1.00 0.00 O ATOM 1044 CB GLU A 98 -6.452 3.150 -9.355 1.00 0.00 C ATOM 1045 CG GLU A 98 -7.039 3.910 -10.533 1.00 0.00 C ATOM 1046 CD GLU A 98 -6.379 3.547 -11.849 1.00 0.00 C ATOM 1047 OE1 GLU A 98 -6.444 2.362 -12.238 1.00 0.00 O ATOM 1048 OE2 GLU A 98 -5.797 4.447 -12.490 1.00 0.00 O ATOM 0 H GLU A 98 -7.072 4.970 -7.722 1.00 0.00 H new ATOM 0 HA GLU A 98 -8.348 2.502 -8.577 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -5.573 3.683 -8.991 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -6.113 2.172 -9.697 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -8.107 3.704 -10.598 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -6.931 4.981 -10.360 1.00 0.00 H new ATOM 1055 N VAL A 99 -5.723 2.473 -6.550 1.00 0.00 N ATOM 1056 CA VAL A 99 -5.044 1.686 -5.528 1.00 0.00 C ATOM 1057 C VAL A 99 -6.039 1.108 -4.528 1.00 0.00 C ATOM 1058 O VAL A 99 -6.183 -0.110 -4.413 1.00 0.00 O ATOM 1059 CB VAL A 99 -4.002 2.530 -4.769 1.00 0.00 C ATOM 1060 CG1 VAL A 99 -3.296 1.688 -3.717 1.00 0.00 C ATOM 1061 CG2 VAL A 99 -3.000 3.137 -5.739 1.00 0.00 C ATOM 0 H VAL A 99 -5.280 3.368 -6.757 1.00 0.00 H new ATOM 0 HA VAL A 99 -4.535 0.871 -6.043 1.00 0.00 H new ATOM 0 HB VAL A 99 -4.519 3.344 -4.261 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -2.564 2.301 -3.191 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -4.028 1.307 -3.005 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -2.790 0.852 -4.200 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -2.271 3.730 -5.186 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -2.486 2.340 -6.277 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -3.523 3.776 -6.450 1.00 0.00 H new ATOM 1071 N ASP A 100 -6.723 1.988 -3.806 1.00 0.00 N ATOM 1072 CA ASP A 100 -7.707 1.566 -2.816 1.00 0.00 C ATOM 1073 C ASP A 100 -8.465 0.332 -3.296 1.00 0.00 C ATOM 1074 O ASP A 100 -9.448 0.440 -4.028 1.00 0.00 O ATOM 1075 CB ASP A 100 -8.689 2.702 -2.525 1.00 0.00 C ATOM 1076 CG ASP A 100 -9.945 2.217 -1.828 1.00 0.00 C ATOM 1077 OD1 ASP A 100 -9.952 2.172 -0.580 1.00 0.00 O ATOM 1078 OD2 ASP A 100 -10.922 1.882 -2.531 1.00 0.00 O ATOM 0 H ASP A 100 -6.614 2.999 -3.888 1.00 0.00 H new ATOM 0 HA ASP A 100 -7.177 1.311 -1.898 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -8.199 3.452 -1.904 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -8.962 3.191 -3.460 1.00 0.00 H new ATOM 1083 N GLY A 101 -8.000 -0.842 -2.878 1.00 0.00 N ATOM 1084 CA GLY A 101 -8.645 -2.079 -3.276 1.00 0.00 C ATOM 1085 C GLY A 101 -7.835 -2.853 -4.297 1.00 0.00 C ATOM 1086 O GLY A 101 -8.372 -3.700 -5.011 1.00 0.00 O ATOM 0 H GLY A 101 -7.188 -0.958 -2.271 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -8.804 -2.702 -2.396 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -9.628 -1.856 -3.690 1.00 0.00 H new ATOM 1090 N GLN A 102 -6.540 -2.562 -4.367 1.00 0.00 N ATOM 1091 CA GLN A 102 -5.656 -3.236 -5.310 1.00 0.00 C ATOM 1092 C GLN A 102 -4.794 -4.275 -4.600 1.00 0.00 C ATOM 1093 O GLN A 102 -4.165 -3.985 -3.582 1.00 0.00 O ATOM 1094 CB GLN A 102 -4.765 -2.218 -6.023 1.00 0.00 C ATOM 1095 CG GLN A 102 -3.458 -1.939 -5.298 1.00 0.00 C ATOM 1096 CD GLN A 102 -2.553 -0.996 -6.066 1.00 0.00 C ATOM 1097 OE1 GLN A 102 -1.486 -0.542 -5.420 1.00 0.00 O flip ATOM 1098 NE2 GLN A 102 -2.811 -0.679 -7.227 1.00 0.00 N flip ATOM 0 H GLN A 102 -6.080 -1.864 -3.782 1.00 0.00 H new ATOM 0 HA GLN A 102 -6.274 -3.747 -6.048 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -4.544 -2.581 -7.026 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -5.314 -1.283 -6.136 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -3.674 -1.512 -4.319 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -2.934 -2.879 -5.127 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -3.643 -1.052 -7.685 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -2.193 -0.043 -7.731 1.00 0.00 H new ATOM 1107 N VAL A 103 -4.768 -5.487 -5.145 1.00 0.00 N ATOM 1108 CA VAL A 103 -3.983 -6.570 -4.564 1.00 0.00 C ATOM 1109 C VAL A 103 -2.511 -6.445 -4.943 1.00 0.00 C ATOM 1110 O VAL A 103 -2.178 -6.067 -6.066 1.00 0.00 O ATOM 1111 CB VAL A 103 -4.503 -7.947 -5.017 1.00 0.00 C ATOM 1112 CG1 VAL A 103 -3.554 -9.049 -4.573 1.00 0.00 C ATOM 1113 CG2 VAL A 103 -5.905 -8.189 -4.479 1.00 0.00 C ATOM 0 H VAL A 103 -5.282 -5.744 -5.988 1.00 0.00 H new ATOM 0 HA VAL A 103 -4.086 -6.490 -3.482 1.00 0.00 H new ATOM 0 HB VAL A 103 -4.549 -7.959 -6.106 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -3.938 -10.014 -4.902 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -2.571 -8.881 -5.012 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -3.472 -9.043 -3.486 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -6.257 -9.166 -4.808 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -5.887 -8.158 -3.390 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -6.577 -7.416 -4.853 1.00 0.00 H new ATOM 1123 N PHE A 104 -1.633 -6.766 -3.998 1.00 0.00 N ATOM 1124 CA PHE A 104 -0.196 -6.689 -4.232 1.00 0.00 C ATOM 1125 C PHE A 104 0.522 -7.877 -3.598 1.00 0.00 C ATOM 1126 O PHE A 104 0.689 -7.935 -2.380 1.00 0.00 O ATOM 1127 CB PHE A 104 0.365 -5.381 -3.672 1.00 0.00 C ATOM 1128 CG PHE A 104 1.728 -5.038 -4.200 1.00 0.00 C ATOM 1129 CD1 PHE A 104 1.924 -4.805 -5.552 1.00 0.00 C ATOM 1130 CD2 PHE A 104 2.815 -4.949 -3.345 1.00 0.00 C ATOM 1131 CE1 PHE A 104 3.177 -4.489 -6.041 1.00 0.00 C ATOM 1132 CE2 PHE A 104 4.070 -4.633 -3.828 1.00 0.00 C ATOM 1133 CZ PHE A 104 4.252 -4.404 -5.178 1.00 0.00 C ATOM 0 H PHE A 104 -1.892 -7.082 -3.063 1.00 0.00 H new ATOM 0 HA PHE A 104 -0.027 -6.716 -5.308 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -0.323 -4.569 -3.909 1.00 0.00 H new ATOM 0 HB3 PHE A 104 0.412 -5.451 -2.585 1.00 0.00 H new ATOM 0 HD1 PHE A 104 1.087 -4.871 -6.232 1.00 0.00 H new ATOM 0 HD2 PHE A 104 2.679 -5.129 -2.289 1.00 0.00 H new ATOM 0 HE1 PHE A 104 3.316 -4.309 -7.097 1.00 0.00 H new ATOM 0 HE2 PHE A 104 4.908 -4.565 -3.151 1.00 0.00 H new ATOM 0 HZ PHE A 104 5.233 -4.159 -5.558 1.00 0.00 H new ATOM 1143 N GLN A 105 0.944 -8.821 -4.433 1.00 0.00 N ATOM 1144 CA GLN A 105 1.643 -10.008 -3.954 1.00 0.00 C ATOM 1145 C GLN A 105 0.765 -10.806 -2.996 1.00 0.00 C ATOM 1146 O GLN A 105 1.266 -11.509 -2.118 1.00 0.00 O ATOM 1147 CB GLN A 105 2.947 -9.611 -3.259 1.00 0.00 C ATOM 1148 CG GLN A 105 4.096 -9.360 -4.222 1.00 0.00 C ATOM 1149 CD GLN A 105 5.450 -9.644 -3.601 1.00 0.00 C ATOM 1150 OE1 GLN A 105 5.635 -10.654 -2.922 1.00 0.00 O ATOM 1151 NE2 GLN A 105 6.406 -8.752 -3.832 1.00 0.00 N ATOM 0 H GLN A 105 0.814 -8.787 -5.444 1.00 0.00 H new ATOM 0 HA GLN A 105 1.874 -10.636 -4.815 1.00 0.00 H new ATOM 0 HB2 GLN A 105 2.775 -8.711 -2.669 1.00 0.00 H new ATOM 0 HB3 GLN A 105 3.233 -10.399 -2.563 1.00 0.00 H new ATOM 0 HG2 GLN A 105 3.968 -9.985 -5.106 1.00 0.00 H new ATOM 0 HG3 GLN A 105 4.064 -8.323 -4.557 1.00 0.00 H new ATOM 0 HE21 GLN A 105 6.209 -7.929 -4.401 1.00 0.00 H new ATOM 0 HE22 GLN A 105 7.338 -8.890 -3.441 1.00 0.00 H new ATOM 1160 N GLY A 106 -0.548 -10.693 -3.170 1.00 0.00 N ATOM 1161 CA GLY A 106 -1.475 -11.410 -2.313 1.00 0.00 C ATOM 1162 C GLY A 106 -1.816 -10.638 -1.054 1.00 0.00 C ATOM 1163 O GLY A 106 -2.058 -11.229 -0.002 1.00 0.00 O ATOM 0 H GLY A 106 -0.987 -10.118 -3.889 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -2.390 -11.618 -2.867 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -1.042 -12.372 -2.039 1.00 0.00 H new ATOM 1167 N ARG A 107 -1.835 -9.313 -1.161 1.00 0.00 N ATOM 1168 CA ARG A 107 -2.146 -8.459 -0.022 1.00 0.00 C ATOM 1169 C ARG A 107 -3.096 -7.336 -0.428 1.00 0.00 C ATOM 1170 O ARG A 107 -2.795 -6.550 -1.326 1.00 0.00 O ATOM 1171 CB ARG A 107 -0.863 -7.869 0.567 1.00 0.00 C ATOM 1172 CG ARG A 107 -0.238 -8.731 1.651 1.00 0.00 C ATOM 1173 CD ARG A 107 -1.061 -8.701 2.930 1.00 0.00 C ATOM 1174 NE ARG A 107 -0.946 -9.947 3.684 1.00 0.00 N ATOM 1175 CZ ARG A 107 0.120 -10.272 4.408 1.00 0.00 C ATOM 1176 NH1 ARG A 107 1.156 -9.447 4.475 1.00 0.00 N ATOM 1177 NH2 ARG A 107 0.149 -11.423 5.066 1.00 0.00 N ATOM 0 H ARG A 107 -1.639 -8.808 -2.025 1.00 0.00 H new ATOM 0 HA ARG A 107 -2.637 -9.071 0.735 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -0.138 -7.725 -0.234 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -1.082 -6.884 0.979 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -0.152 -9.758 1.296 1.00 0.00 H new ATOM 0 HG3 ARG A 107 0.773 -8.380 1.859 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -0.733 -7.869 3.553 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -2.108 -8.522 2.684 1.00 0.00 H new ATOM 0 HE ARG A 107 -1.726 -10.603 3.653 1.00 0.00 H new ATOM 0 HH11 ARG A 107 1.136 -8.561 3.970 1.00 0.00 H new ATOM 0 HH12 ARG A 107 1.973 -9.699 5.031 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -0.647 -12.059 5.016 1.00 0.00 H new ATOM 0 HH22 ARG A 107 0.967 -11.672 5.622 1.00 0.00 H new ATOM 1191 N MET A 108 -4.243 -7.267 0.239 1.00 0.00 N ATOM 1192 CA MET A 108 -5.236 -6.240 -0.052 1.00 0.00 C ATOM 1193 C MET A 108 -4.767 -4.875 0.442 1.00 0.00 C ATOM 1194 O MET A 108 -4.902 -4.550 1.622 1.00 0.00 O ATOM 1195 CB MET A 108 -6.575 -6.597 0.596 1.00 0.00 C ATOM 1196 CG MET A 108 -7.485 -7.419 -0.303 1.00 0.00 C ATOM 1197 SD MET A 108 -8.572 -6.397 -1.314 1.00 0.00 S ATOM 1198 CE MET A 108 -7.384 -5.611 -2.400 1.00 0.00 C ATOM 0 H MET A 108 -4.508 -7.910 0.985 1.00 0.00 H new ATOM 0 HA MET A 108 -5.365 -6.191 -1.133 1.00 0.00 H new ATOM 0 HB2 MET A 108 -6.388 -7.152 1.515 1.00 0.00 H new ATOM 0 HB3 MET A 108 -7.090 -5.678 0.878 1.00 0.00 H new ATOM 0 HG2 MET A 108 -6.876 -8.047 -0.953 1.00 0.00 H new ATOM 0 HG3 MET A 108 -8.089 -8.087 0.311 1.00 0.00 H new ATOM 0 HE1 MET A 108 -7.838 -5.447 -3.377 1.00 0.00 H new ATOM 0 HE2 MET A 108 -7.080 -4.654 -1.975 1.00 0.00 H new ATOM 0 HE3 MET A 108 -6.510 -6.253 -2.509 1.00 0.00 H new ATOM 1208 N LEU A 109 -4.215 -4.080 -0.468 1.00 0.00 N ATOM 1209 CA LEU A 109 -3.725 -2.749 -0.125 1.00 0.00 C ATOM 1210 C LEU A 109 -4.884 -1.782 0.094 1.00 0.00 C ATOM 1211 O LEU A 109 -5.666 -1.516 -0.820 1.00 0.00 O ATOM 1212 CB LEU A 109 -2.807 -2.221 -1.229 1.00 0.00 C ATOM 1213 CG LEU A 109 -1.614 -3.107 -1.590 1.00 0.00 C ATOM 1214 CD1 LEU A 109 -0.779 -2.458 -2.682 1.00 0.00 C ATOM 1215 CD2 LEU A 109 -0.763 -3.384 -0.359 1.00 0.00 C ATOM 0 H LEU A 109 -4.095 -4.334 -1.449 1.00 0.00 H new ATOM 0 HA LEU A 109 -3.159 -2.826 0.803 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -3.404 -2.066 -2.128 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -2.430 -1.245 -0.925 1.00 0.00 H new ATOM 0 HG LEU A 109 -1.993 -4.057 -1.966 1.00 0.00 H new ATOM 0 HD11 LEU A 109 0.065 -3.103 -2.926 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -1.393 -2.312 -3.571 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -0.410 -1.493 -2.333 1.00 0.00 H new ATOM 0 HD21 LEU A 109 0.081 -4.016 -0.635 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -0.394 -2.442 0.048 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -1.366 -3.892 0.393 1.00 0.00 H new ATOM 1227 N HIS A 110 -4.988 -1.256 1.310 1.00 0.00 N ATOM 1228 CA HIS A 110 -6.050 -0.315 1.648 1.00 0.00 C ATOM 1229 C HIS A 110 -5.524 1.117 1.661 1.00 0.00 C ATOM 1230 O HIS A 110 -4.428 1.382 2.156 1.00 0.00 O ATOM 1231 CB HIS A 110 -6.653 -0.662 3.010 1.00 0.00 C ATOM 1232 CG HIS A 110 -7.569 -1.846 2.976 1.00 0.00 C ATOM 1233 ND1 HIS A 110 -8.702 -1.944 3.756 1.00 0.00 N ATOM 1234 CD2 HIS A 110 -7.515 -2.986 2.249 1.00 0.00 C ATOM 1235 CE1 HIS A 110 -9.305 -3.093 3.511 1.00 0.00 C ATOM 1236 NE2 HIS A 110 -8.605 -3.745 2.599 1.00 0.00 N ATOM 0 H HIS A 110 -4.350 -1.465 2.078 1.00 0.00 H new ATOM 0 HA HIS A 110 -6.825 -0.391 0.886 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -5.846 -0.858 3.716 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -7.203 0.201 3.385 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -6.756 -3.250 1.528 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -10.215 -3.441 3.977 1.00 0.00 H new ATOM 0 HE2 HIS A 110 -8.836 -4.662 2.217 1.00 0.00 H new ATOM 1245 N VAL A 111 -6.311 2.037 1.113 1.00 0.00 N ATOM 1246 CA VAL A 111 -5.925 3.442 1.061 1.00 0.00 C ATOM 1247 C VAL A 111 -7.046 4.339 1.574 1.00 0.00 C ATOM 1248 O VAL A 111 -8.170 4.295 1.073 1.00 0.00 O ATOM 1249 CB VAL A 111 -5.555 3.870 -0.371 1.00 0.00 C ATOM 1250 CG1 VAL A 111 -4.858 5.222 -0.361 1.00 0.00 C ATOM 1251 CG2 VAL A 111 -4.680 2.815 -1.033 1.00 0.00 C ATOM 0 H VAL A 111 -7.221 1.834 0.698 1.00 0.00 H new ATOM 0 HA VAL A 111 -5.051 3.554 1.703 1.00 0.00 H new ATOM 0 HB VAL A 111 -6.473 3.965 -0.952 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -4.604 5.508 -1.382 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -5.522 5.971 0.071 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -3.948 5.158 0.235 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -4.428 3.134 -2.044 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -3.765 2.686 -0.455 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -5.219 1.869 -1.075 1.00 0.00 H new ATOM 1261 N LEU A 112 -6.732 5.152 2.577 1.00 0.00 N ATOM 1262 CA LEU A 112 -7.713 6.062 3.159 1.00 0.00 C ATOM 1263 C LEU A 112 -7.298 7.515 2.952 1.00 0.00 C ATOM 1264 O LEU A 112 -6.117 7.861 2.993 1.00 0.00 O ATOM 1265 CB LEU A 112 -7.881 5.775 4.652 1.00 0.00 C ATOM 1266 CG LEU A 112 -8.732 4.557 5.010 1.00 0.00 C ATOM 1267 CD1 LEU A 112 -10.068 4.607 4.284 1.00 0.00 C ATOM 1268 CD2 LEU A 112 -7.990 3.271 4.676 1.00 0.00 C ATOM 0 H LEU A 112 -5.807 5.200 3.004 1.00 0.00 H new ATOM 0 HA LEU A 112 -8.666 5.901 2.655 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -6.891 5.643 5.090 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -8.323 6.653 5.123 1.00 0.00 H new ATOM 0 HG LEU A 112 -8.924 4.575 6.083 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -10.660 3.732 4.551 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -10.605 5.511 4.572 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -9.897 4.615 3.208 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -8.611 2.414 4.938 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -7.768 3.246 3.609 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -7.059 3.231 5.242 1.00 0.00 H new ATOM 1280 N PRO A 113 -8.291 8.388 2.727 1.00 0.00 N ATOM 1281 CA PRO A 113 -8.054 9.819 2.512 1.00 0.00 C ATOM 1282 C PRO A 113 -7.588 10.526 3.780 1.00 0.00 C ATOM 1283 O PRO A 113 -8.159 10.336 4.854 1.00 0.00 O ATOM 1284 CB PRO A 113 -9.425 10.345 2.079 1.00 0.00 C ATOM 1285 CG PRO A 113 -10.401 9.388 2.670 1.00 0.00 C ATOM 1286 CD PRO A 113 -9.722 8.046 2.665 1.00 0.00 C ATOM 0 HA PRO A 113 -7.265 9.996 1.782 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -9.594 11.358 2.444 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -9.511 10.379 0.993 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -10.673 9.684 3.683 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -11.322 9.361 2.088 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -10.027 7.438 3.517 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -9.961 7.478 1.766 1.00 0.00 H new ATOM 1294 N SER A 114 -6.548 11.343 3.649 1.00 0.00 N ATOM 1295 CA SER A 114 -6.003 12.076 4.786 1.00 0.00 C ATOM 1296 C SER A 114 -5.505 13.453 4.356 1.00 0.00 C ATOM 1297 O SER A 114 -4.711 13.576 3.423 1.00 0.00 O ATOM 1298 CB SER A 114 -4.862 11.286 5.429 1.00 0.00 C ATOM 1299 OG SER A 114 -4.336 11.973 6.552 1.00 0.00 O ATOM 0 H SER A 114 -6.066 11.514 2.767 1.00 0.00 H new ATOM 0 HA SER A 114 -6.800 12.209 5.517 1.00 0.00 H new ATOM 0 HB2 SER A 114 -5.223 10.304 5.735 1.00 0.00 H new ATOM 0 HB3 SER A 114 -4.072 11.121 4.697 1.00 0.00 H new ATOM 0 HG SER A 114 -3.609 11.447 6.946 1.00 0.00 H new