USER MOD reduce.3.24.130724 H: found=0, std=0, add=796, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 797 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 129 SER OG : rot 86:sc= 0.533 USER MOD Set 1.2: A 130 GLN : amide:sc= -2.97! K(o=-2.4!,f=-4.5) USER MOD Set 2.1: A 114 ASN : amide:sc= -0.681 X(o=-0.64,f=-0.57) USER MOD Set 2.2: A 117 HIS : no HD1:sc= 0.0392 K(o=-0.64,f=-1.8) USER MOD Set 3.1: A 115 THR OG1 : rot 92:sc= -0.523 USER MOD Set 3.2: A 116 ASN : amide:sc= 0.359 K(o=-0.16,f=-2.3) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 THR OG1 : rot 122:sc= -1.35 USER MOD Single : A 49 ASN :FLIP amide:sc= -0.721 F(o=-5.6!,f=-0.72) USER MOD Single : A 51 MET CE :methyl 177:sc= -2.81 (180deg=-2.85) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 CYS SG : rot -91:sc= -6.39! USER MOD Single : A 65 ASN : amide:sc= -1.77 K(o=-1.8,f=-6.2!) USER MOD Single : A 66 LYS NZ :NH3+ 143:sc= -3.03! (180deg=-5.47!) USER MOD Single : A 68 GLN :FLIP amide:sc= -0.389 F(o=-3.1!,f=-0.39) USER MOD Single : A 71 SER OG : rot 100:sc= -1.74! USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc=-7.34e-05 X(o=-7.3e-05,f=0) USER MOD Single : A 80 GLN : amide:sc= -0.109 X(o=-0.11,f=-0.11) USER MOD Single : A 81 ASN : amide:sc= -0.227 X(o=-0.23,f=-0.35) USER MOD Single : A 83 HIS : +bothHN:sc= 0.301 K(o=0.3,f=-3.7!) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 ASN : amide:sc= -1.21 K(o=-1.2,f=-9.6!) USER MOD Single : A 90 ASN :FLIP amide:sc= -0.247 F(o=-0.9,f=-0.25) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ -133:sc= -0.0379 (180deg=-0.255) USER MOD Single : A 103 HIS : no HD1:sc= -0.207 X(o=-0.21,f=-0.0094) USER MOD Single : A 109 ASN : amide:sc= 0.716 K(o=0.72,f=-0.00053) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 GLN : amide:sc= -0.234 X(o=-0.23,f=-0.057) USER MOD Single : A 121 GLN :FLIP amide:sc= 0.126 F(o=-1.2!,f=0.13) USER MOD Single : A 122 SER OG : rot -15:sc= 0.804 USER MOD Single : A 123 THR OG1 : rot 68:sc= -1.08! USER MOD Single : A 132 LYS NZ :NH3+ 167:sc= -0.0228 (180deg=-0.225) USER MOD ----------------------------------------------------------------- ATOM 104 N GLN A 33 -5.764 -3.482 -13.395 1.00 0.00 N ATOM 105 CA GLN A 33 -6.488 -2.293 -12.968 1.00 0.00 C ATOM 106 C GLN A 33 -5.821 -1.648 -11.757 1.00 0.00 C ATOM 107 O GLN A 33 -5.826 -0.427 -11.614 1.00 0.00 O ATOM 108 CB GLN A 33 -7.937 -2.652 -12.635 1.00 0.00 C ATOM 109 CG GLN A 33 -8.776 -1.458 -12.224 1.00 0.00 C ATOM 110 CD GLN A 33 -10.209 -1.833 -11.903 1.00 0.00 C ATOM 111 OE1 GLN A 33 -10.467 -2.629 -11.000 1.00 0.00 O ATOM 112 NE2 GLN A 33 -11.151 -1.258 -12.642 1.00 0.00 N ATOM 0 HA GLN A 33 -6.473 -1.575 -13.788 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -8.394 -3.126 -13.503 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -7.945 -3.387 -11.830 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -8.325 -0.985 -11.352 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -8.769 -0.720 -13.027 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -10.892 -0.604 -13.380 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -12.134 -1.471 -12.471 1.00 0.00 H new ATOM 121 N LEU A 34 -5.258 -2.480 -10.884 1.00 0.00 N ATOM 122 CA LEU A 34 -4.595 -1.994 -9.676 1.00 0.00 C ATOM 123 C LEU A 34 -3.585 -0.896 -9.999 1.00 0.00 C ATOM 124 O LEU A 34 -3.502 0.110 -9.293 1.00 0.00 O ATOM 125 CB LEU A 34 -3.885 -3.143 -8.954 1.00 0.00 C ATOM 126 CG LEU A 34 -4.778 -4.320 -8.549 1.00 0.00 C ATOM 127 CD1 LEU A 34 -3.979 -5.345 -7.752 1.00 0.00 C ATOM 128 CD2 LEU A 34 -5.977 -3.835 -7.749 1.00 0.00 C ATOM 0 H LEU A 34 -5.248 -3.494 -10.990 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.365 -1.577 -9.026 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.090 -3.518 -9.599 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.408 -2.746 -8.058 1.00 0.00 H new ATOM 0 HG LEU A 34 -5.146 -4.800 -9.456 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -4.628 -6.175 -7.472 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.156 -5.718 -8.361 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.581 -4.876 -6.852 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -6.598 -4.687 -7.472 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -5.632 -3.328 -6.848 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -6.562 -3.142 -8.354 1.00 0.00 H new ATOM 140 N ARG A 35 -2.810 -1.102 -11.058 1.00 0.00 N ATOM 141 CA ARG A 35 -1.793 -0.137 -11.460 1.00 0.00 C ATOM 142 C ARG A 35 -2.412 1.192 -11.892 1.00 0.00 C ATOM 143 O ARG A 35 -2.243 2.208 -11.223 1.00 0.00 O ATOM 144 CB ARG A 35 -0.948 -0.708 -12.601 1.00 0.00 C ATOM 145 CG ARG A 35 -0.219 -1.990 -12.234 1.00 0.00 C ATOM 146 CD ARG A 35 0.606 -2.514 -13.398 1.00 0.00 C ATOM 147 NE ARG A 35 1.317 -3.743 -13.056 1.00 0.00 N ATOM 148 CZ ARG A 35 2.105 -4.399 -13.902 1.00 0.00 C ATOM 149 NH1 ARG A 35 2.283 -3.946 -15.135 1.00 0.00 N ATOM 150 NH2 ARG A 35 2.717 -5.510 -13.514 1.00 0.00 N ATOM 0 H ARG A 35 -2.866 -1.928 -11.653 1.00 0.00 H new ATOM 0 HA ARG A 35 -1.160 0.053 -10.594 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -1.592 -0.899 -13.459 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -0.218 0.040 -12.911 1.00 0.00 H new ATOM 0 HG2 ARG A 35 0.431 -1.808 -11.378 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -0.942 -2.747 -11.929 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -0.047 -2.699 -14.251 1.00 0.00 H new ATOM 0 HD3 ARG A 35 1.324 -1.753 -13.705 1.00 0.00 H new ATOM 0 HE ARG A 35 1.202 -4.119 -12.115 1.00 0.00 H new ATOM 0 HH11 ARG A 35 1.815 -3.092 -15.437 1.00 0.00 H new ATOM 0 HH12 ARG A 35 2.888 -4.452 -15.782 1.00 0.00 H new ATOM 0 HH21 ARG A 35 2.583 -5.862 -12.566 1.00 0.00 H new ATOM 0 HH22 ARG A 35 3.321 -6.013 -14.164 1.00 0.00 H new ATOM 164 N VAL A 36 -3.120 1.179 -13.017 1.00 0.00 N ATOM 165 CA VAL A 36 -3.752 2.386 -13.546 1.00 0.00 C ATOM 166 C VAL A 36 -4.543 3.129 -12.472 1.00 0.00 C ATOM 167 O VAL A 36 -4.571 4.359 -12.445 1.00 0.00 O ATOM 168 CB VAL A 36 -4.690 2.055 -14.723 1.00 0.00 C ATOM 169 CG1 VAL A 36 -5.358 3.316 -15.250 1.00 0.00 C ATOM 170 CG2 VAL A 36 -3.927 1.347 -15.831 1.00 0.00 C ATOM 0 H VAL A 36 -3.272 0.344 -13.583 1.00 0.00 H new ATOM 0 HA VAL A 36 -2.945 3.030 -13.896 1.00 0.00 H new ATOM 0 HB VAL A 36 -5.469 1.384 -14.361 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -6.016 3.059 -16.080 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -5.942 3.778 -14.454 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -4.596 4.015 -15.594 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -4.606 1.121 -16.653 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -3.124 1.992 -16.189 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -3.503 0.420 -15.446 1.00 0.00 H new ATOM 180 N TRP A 37 -5.193 2.372 -11.597 1.00 0.00 N ATOM 181 CA TRP A 37 -5.998 2.948 -10.525 1.00 0.00 C ATOM 182 C TRP A 37 -5.170 3.826 -9.582 1.00 0.00 C ATOM 183 O TRP A 37 -5.268 5.052 -9.617 1.00 0.00 O ATOM 184 CB TRP A 37 -6.695 1.820 -9.744 1.00 0.00 C ATOM 185 CG TRP A 37 -7.070 2.172 -8.330 1.00 0.00 C ATOM 186 CD1 TRP A 37 -7.461 3.391 -7.852 1.00 0.00 C ATOM 187 CD2 TRP A 37 -7.092 1.279 -7.211 1.00 0.00 C ATOM 188 NE1 TRP A 37 -7.690 3.314 -6.501 1.00 0.00 N ATOM 189 CE2 TRP A 37 -7.483 2.027 -6.086 1.00 0.00 C ATOM 190 CE3 TRP A 37 -6.812 -0.081 -7.051 1.00 0.00 C ATOM 191 CZ2 TRP A 37 -7.602 1.462 -4.819 1.00 0.00 C ATOM 192 CZ3 TRP A 37 -6.933 -0.642 -5.794 1.00 0.00 C ATOM 193 CH2 TRP A 37 -7.325 0.128 -4.692 1.00 0.00 C ATOM 0 H TRP A 37 -5.179 1.352 -11.608 1.00 0.00 H new ATOM 0 HA TRP A 37 -6.746 3.597 -10.980 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -7.597 1.527 -10.282 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -6.038 0.950 -9.725 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -7.573 4.284 -8.449 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -7.970 4.091 -5.903 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -6.507 -0.682 -7.894 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -7.902 2.055 -3.968 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -6.722 -1.692 -5.659 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -7.410 -0.340 -3.723 1.00 0.00 H new ATOM 204 N ILE A 38 -4.396 3.188 -8.713 1.00 0.00 N ATOM 205 CA ILE A 38 -3.594 3.901 -7.724 1.00 0.00 C ATOM 206 C ILE A 38 -2.531 4.805 -8.354 1.00 0.00 C ATOM 207 O ILE A 38 -2.347 5.940 -7.913 1.00 0.00 O ATOM 208 CB ILE A 38 -2.930 2.915 -6.748 1.00 0.00 C ATOM 209 CG1 ILE A 38 -4.001 2.141 -5.977 1.00 0.00 C ATOM 210 CG2 ILE A 38 -2.001 3.648 -5.791 1.00 0.00 C ATOM 211 CD1 ILE A 38 -3.441 1.077 -5.058 1.00 0.00 C ATOM 0 H ILE A 38 -4.306 2.173 -8.672 1.00 0.00 H new ATOM 0 HA ILE A 38 -4.284 4.546 -7.180 1.00 0.00 H new ATOM 0 HB ILE A 38 -2.331 2.207 -7.320 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -4.591 2.843 -5.388 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -4.681 1.672 -6.689 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -1.542 2.932 -5.109 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -1.223 4.159 -6.359 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -2.572 4.379 -5.218 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -4.259 0.571 -4.546 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -2.876 0.352 -5.643 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -2.784 1.541 -4.322 1.00 0.00 H new ATOM 223 N GLU A 39 -1.833 4.312 -9.374 1.00 0.00 N ATOM 224 CA GLU A 39 -0.796 5.107 -10.034 1.00 0.00 C ATOM 225 C GLU A 39 -1.326 6.490 -10.399 1.00 0.00 C ATOM 226 O GLU A 39 -0.637 7.495 -10.227 1.00 0.00 O ATOM 227 CB GLU A 39 -0.282 4.401 -11.290 1.00 0.00 C ATOM 228 CG GLU A 39 0.501 3.129 -11.003 1.00 0.00 C ATOM 229 CD GLU A 39 0.908 2.399 -12.268 1.00 0.00 C ATOM 230 OE1 GLU A 39 0.022 2.117 -13.103 1.00 0.00 O ATOM 231 OE2 GLU A 39 2.110 2.102 -12.423 1.00 0.00 O ATOM 0 H GLU A 39 -1.963 3.377 -9.760 1.00 0.00 H new ATOM 0 HA GLU A 39 0.031 5.220 -9.333 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -1.129 4.158 -11.931 1.00 0.00 H new ATOM 0 HB3 GLU A 39 0.353 5.089 -11.848 1.00 0.00 H new ATOM 0 HG2 GLU A 39 1.393 3.377 -10.428 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -0.103 2.466 -10.384 1.00 0.00 H new ATOM 238 N GLY A 40 -2.557 6.530 -10.899 1.00 0.00 N ATOM 239 CA GLY A 40 -3.165 7.792 -11.276 1.00 0.00 C ATOM 240 C GLY A 40 -3.388 8.706 -10.085 1.00 0.00 C ATOM 241 O GLY A 40 -3.234 9.923 -10.192 1.00 0.00 O ATOM 0 H GLY A 40 -3.144 5.710 -11.050 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.528 8.296 -12.003 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -4.119 7.600 -11.767 1.00 0.00 H new ATOM 245 N ALA A 41 -3.760 8.117 -8.951 1.00 0.00 N ATOM 246 CA ALA A 41 -4.014 8.882 -7.735 1.00 0.00 C ATOM 247 C ALA A 41 -2.808 9.730 -7.347 1.00 0.00 C ATOM 248 O ALA A 41 -2.911 10.950 -7.219 1.00 0.00 O ATOM 249 CB ALA A 41 -4.380 7.943 -6.593 1.00 0.00 C ATOM 0 H ALA A 41 -3.892 7.111 -8.850 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.849 9.555 -7.932 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -4.568 8.524 -5.690 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -5.277 7.382 -6.856 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -3.558 7.250 -6.414 1.00 0.00 H new ATOM 255 N THR A 42 -1.667 9.077 -7.156 1.00 0.00 N ATOM 256 CA THR A 42 -0.443 9.772 -6.778 1.00 0.00 C ATOM 257 C THR A 42 0.213 10.437 -7.982 1.00 0.00 C ATOM 258 O THR A 42 0.274 11.663 -8.073 1.00 0.00 O ATOM 259 CB THR A 42 0.564 8.804 -6.129 1.00 0.00 C ATOM 260 OG1 THR A 42 0.893 7.750 -7.043 1.00 0.00 O ATOM 261 CG2 THR A 42 -0.007 8.210 -4.852 1.00 0.00 C ATOM 0 H THR A 42 -1.565 8.067 -7.257 1.00 0.00 H new ATOM 0 HA THR A 42 -0.724 10.540 -6.057 1.00 0.00 H new ATOM 0 HB THR A 42 1.466 9.365 -5.882 1.00 0.00 H new ATOM 0 HG1 THR A 42 1.860 7.743 -7.200 1.00 0.00 H new ATOM 0 HG21 THR A 42 0.721 7.529 -4.410 1.00 0.00 H new ATOM 0 HG22 THR A 42 -0.230 9.010 -4.147 1.00 0.00 H new ATOM 0 HG23 THR A 42 -0.922 7.664 -5.082 1.00 0.00 H new ATOM 269 N GLY A 43 0.709 9.616 -8.897 1.00 0.00 N ATOM 270 CA GLY A 43 1.365 10.121 -10.084 1.00 0.00 C ATOM 271 C GLY A 43 2.408 9.151 -10.590 1.00 0.00 C ATOM 272 O GLY A 43 2.605 9.003 -11.796 1.00 0.00 O ATOM 0 H GLY A 43 0.667 8.599 -8.836 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.624 10.301 -10.863 1.00 0.00 H new ATOM 0 HA3 GLY A 43 1.834 11.080 -9.863 1.00 0.00 H new ATOM 276 N ARG A 44 3.078 8.489 -9.652 1.00 0.00 N ATOM 277 CA ARG A 44 4.115 7.522 -9.983 1.00 0.00 C ATOM 278 C ARG A 44 3.521 6.325 -10.713 1.00 0.00 C ATOM 279 O ARG A 44 2.558 5.716 -10.245 1.00 0.00 O ATOM 280 CB ARG A 44 4.815 7.045 -8.712 1.00 0.00 C ATOM 281 CG ARG A 44 5.055 8.149 -7.693 1.00 0.00 C ATOM 282 CD ARG A 44 5.868 9.285 -8.283 1.00 0.00 C ATOM 283 NE ARG A 44 6.132 10.339 -7.305 1.00 0.00 N ATOM 284 CZ ARG A 44 5.181 11.072 -6.730 1.00 0.00 C ATOM 285 NH1 ARG A 44 3.906 10.879 -7.042 1.00 0.00 N ATOM 286 NH2 ARG A 44 5.507 12.002 -5.843 1.00 0.00 N ATOM 0 H ARG A 44 2.919 8.607 -8.651 1.00 0.00 H new ATOM 0 HA ARG A 44 4.839 8.010 -10.635 1.00 0.00 H new ATOM 0 HB2 ARG A 44 4.215 6.261 -8.250 1.00 0.00 H new ATOM 0 HB3 ARG A 44 5.772 6.597 -8.981 1.00 0.00 H new ATOM 0 HG2 ARG A 44 4.098 8.532 -7.338 1.00 0.00 H new ATOM 0 HG3 ARG A 44 5.576 7.739 -6.827 1.00 0.00 H new ATOM 0 HD2 ARG A 44 6.814 8.896 -8.660 1.00 0.00 H new ATOM 0 HD3 ARG A 44 5.335 9.707 -9.135 1.00 0.00 H new ATOM 0 HE ARG A 44 7.102 10.524 -7.048 1.00 0.00 H new ATOM 0 HH11 ARG A 44 3.650 10.166 -7.725 1.00 0.00 H new ATOM 0 HH12 ARG A 44 3.181 11.443 -6.598 1.00 0.00 H new ATOM 0 HH21 ARG A 44 6.486 12.156 -5.602 1.00 0.00 H new ATOM 0 HH22 ARG A 44 4.779 12.564 -5.402 1.00 0.00 H new ATOM 300 N ARG A 45 4.102 5.985 -11.854 1.00 0.00 N ATOM 301 CA ARG A 45 3.634 4.855 -12.640 1.00 0.00 C ATOM 302 C ARG A 45 4.432 3.598 -12.309 1.00 0.00 C ATOM 303 O ARG A 45 4.742 2.804 -13.197 1.00 0.00 O ATOM 304 CB ARG A 45 3.755 5.172 -14.130 1.00 0.00 C ATOM 305 CG ARG A 45 2.976 6.407 -14.555 1.00 0.00 C ATOM 306 CD ARG A 45 1.480 6.227 -14.344 1.00 0.00 C ATOM 307 NE ARG A 45 0.942 5.121 -15.132 1.00 0.00 N ATOM 308 CZ ARG A 45 0.943 5.089 -16.462 1.00 0.00 C ATOM 309 NH1 ARG A 45 1.439 6.107 -17.155 1.00 0.00 N ATOM 310 NH2 ARG A 45 0.443 4.041 -17.102 1.00 0.00 N ATOM 0 H ARG A 45 4.900 6.477 -12.256 1.00 0.00 H new ATOM 0 HA ARG A 45 2.588 4.673 -12.394 1.00 0.00 H new ATOM 0 HB2 ARG A 45 4.807 5.313 -14.379 1.00 0.00 H new ATOM 0 HB3 ARG A 45 3.403 4.315 -14.705 1.00 0.00 H new ATOM 0 HG2 ARG A 45 3.323 7.270 -13.986 1.00 0.00 H new ATOM 0 HG3 ARG A 45 3.173 6.618 -15.606 1.00 0.00 H new ATOM 0 HD2 ARG A 45 1.283 6.048 -13.287 1.00 0.00 H new ATOM 0 HD3 ARG A 45 0.963 7.148 -14.613 1.00 0.00 H new ATOM 0 HE ARG A 45 0.542 4.326 -14.633 1.00 0.00 H new ATOM 0 HH11 ARG A 45 1.821 6.918 -16.668 1.00 0.00 H new ATOM 0 HH12 ARG A 45 1.438 6.079 -18.175 1.00 0.00 H new ATOM 0 HH21 ARG A 45 0.057 3.258 -16.575 1.00 0.00 H new ATOM 0 HH22 ARG A 45 0.444 4.018 -18.122 1.00 0.00 H new ATOM 324 N ILE A 46 4.758 3.426 -11.025 1.00 0.00 N ATOM 325 CA ILE A 46 5.523 2.266 -10.577 1.00 0.00 C ATOM 326 C ILE A 46 6.617 1.925 -11.589 1.00 0.00 C ATOM 327 O ILE A 46 6.508 0.955 -12.340 1.00 0.00 O ATOM 328 CB ILE A 46 4.617 1.041 -10.359 1.00 0.00 C ATOM 329 CG1 ILE A 46 3.560 1.337 -9.289 1.00 0.00 C ATOM 330 CG2 ILE A 46 5.445 -0.177 -9.966 1.00 0.00 C ATOM 331 CD1 ILE A 46 2.597 0.194 -9.052 1.00 0.00 C ATOM 0 H ILE A 46 4.503 4.076 -10.281 1.00 0.00 H new ATOM 0 HA ILE A 46 5.981 2.525 -9.622 1.00 0.00 H new ATOM 0 HB ILE A 46 4.107 0.822 -11.297 1.00 0.00 H new ATOM 0 HG12 ILE A 46 4.062 1.578 -8.352 1.00 0.00 H new ATOM 0 HG13 ILE A 46 2.995 2.221 -9.584 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.786 -1.032 -9.817 1.00 0.00 H new ATOM 0 HG22 ILE A 46 6.159 -0.403 -10.758 1.00 0.00 H new ATOM 0 HG23 ILE A 46 5.983 0.032 -9.042 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.879 0.477 -8.282 1.00 0.00 H new ATOM 0 HD12 ILE A 46 2.067 -0.033 -9.977 1.00 0.00 H new ATOM 0 HD13 ILE A 46 3.151 -0.686 -8.726 1.00 0.00 H new ATOM 343 N GLY A 47 7.651 2.756 -11.620 1.00 0.00 N ATOM 344 CA GLY A 47 8.751 2.564 -12.555 1.00 0.00 C ATOM 345 C GLY A 47 9.646 1.385 -12.212 1.00 0.00 C ATOM 346 O GLY A 47 10.869 1.521 -12.183 1.00 0.00 O ATOM 0 H GLY A 47 7.751 3.567 -11.010 1.00 0.00 H new ATOM 0 HA2 GLY A 47 8.344 2.421 -13.556 1.00 0.00 H new ATOM 0 HA3 GLY A 47 9.355 3.471 -12.583 1.00 0.00 H new ATOM 350 N ASP A 48 9.040 0.228 -11.965 1.00 0.00 N ATOM 351 CA ASP A 48 9.787 -0.982 -11.635 1.00 0.00 C ATOM 352 C ASP A 48 8.839 -2.167 -11.478 1.00 0.00 C ATOM 353 O ASP A 48 7.802 -2.232 -12.139 1.00 0.00 O ATOM 354 CB ASP A 48 10.596 -0.776 -10.349 1.00 0.00 C ATOM 355 CG ASP A 48 9.724 -0.415 -9.161 1.00 0.00 C ATOM 356 OD1 ASP A 48 8.491 -0.308 -9.335 1.00 0.00 O ATOM 357 OD2 ASP A 48 10.275 -0.235 -8.054 1.00 0.00 O ATOM 0 H ASP A 48 8.028 0.102 -11.987 1.00 0.00 H new ATOM 0 HA ASP A 48 10.477 -1.195 -12.451 1.00 0.00 H new ATOM 0 HB2 ASP A 48 11.151 -1.687 -10.124 1.00 0.00 H new ATOM 0 HB3 ASP A 48 11.330 0.014 -10.509 1.00 0.00 H new ATOM 362 N ASN A 49 9.189 -3.098 -10.596 1.00 0.00 N ATOM 363 CA ASN A 49 8.354 -4.268 -10.354 1.00 0.00 C ATOM 364 C ASN A 49 7.055 -3.849 -9.672 1.00 0.00 C ATOM 365 O ASN A 49 7.059 -2.998 -8.785 1.00 0.00 O ATOM 366 CB ASN A 49 9.106 -5.284 -9.489 1.00 0.00 C ATOM 367 CG ASN A 49 8.370 -6.607 -9.345 1.00 0.00 C ATOM 368 OD1 ASN A 49 7.286 -6.779 -10.095 1.00 0.00 O flip ATOM 369 ND2 ASN A 49 8.785 -7.475 -8.577 1.00 0.00 N flip ATOM 0 H ASN A 49 10.043 -3.065 -10.039 1.00 0.00 H new ATOM 0 HA ASN A 49 8.114 -4.735 -11.309 1.00 0.00 H new ATOM 0 HB2 ASN A 49 10.088 -5.467 -9.925 1.00 0.00 H new ATOM 0 HB3 ASN A 49 9.271 -4.858 -8.500 1.00 0.00 H new ATOM 0 HD21 ASN A 49 9.621 -7.304 -8.018 1.00 0.00 H new ATOM 0 HD22 ASN A 49 8.293 -8.365 -8.499 1.00 0.00 H new ATOM 376 N PHE A 50 5.944 -4.441 -10.097 1.00 0.00 N ATOM 377 CA PHE A 50 4.642 -4.115 -9.529 1.00 0.00 C ATOM 378 C PHE A 50 4.595 -4.415 -8.032 1.00 0.00 C ATOM 379 O PHE A 50 4.155 -3.584 -7.238 1.00 0.00 O ATOM 380 CB PHE A 50 3.539 -4.893 -10.250 1.00 0.00 C ATOM 381 CG PHE A 50 2.157 -4.622 -9.721 1.00 0.00 C ATOM 382 CD1 PHE A 50 1.731 -3.323 -9.485 1.00 0.00 C ATOM 383 CD2 PHE A 50 1.285 -5.666 -9.458 1.00 0.00 C ATOM 384 CE1 PHE A 50 0.462 -3.072 -8.998 1.00 0.00 C ATOM 385 CE2 PHE A 50 0.015 -5.421 -8.970 1.00 0.00 C ATOM 386 CZ PHE A 50 -0.396 -4.123 -8.740 1.00 0.00 C ATOM 0 H PHE A 50 5.919 -5.148 -10.832 1.00 0.00 H new ATOM 0 HA PHE A 50 4.479 -3.046 -9.666 1.00 0.00 H new ATOM 0 HB2 PHE A 50 3.567 -4.644 -11.311 1.00 0.00 H new ATOM 0 HB3 PHE A 50 3.747 -5.960 -10.167 1.00 0.00 H new ATOM 0 HD1 PHE A 50 2.399 -2.498 -9.684 1.00 0.00 H new ATOM 0 HD2 PHE A 50 1.601 -6.683 -9.636 1.00 0.00 H new ATOM 0 HE1 PHE A 50 0.142 -2.056 -8.820 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -0.655 -6.244 -8.769 1.00 0.00 H new ATOM 0 HZ PHE A 50 -1.388 -3.930 -8.359 1.00 0.00 H new ATOM 396 N MET A 51 5.040 -5.610 -7.653 1.00 0.00 N ATOM 397 CA MET A 51 5.035 -6.017 -6.250 1.00 0.00 C ATOM 398 C MET A 51 6.153 -5.328 -5.473 1.00 0.00 C ATOM 399 O MET A 51 5.919 -4.748 -4.413 1.00 0.00 O ATOM 400 CB MET A 51 5.190 -7.534 -6.142 1.00 0.00 C ATOM 401 CG MET A 51 4.381 -8.297 -7.175 1.00 0.00 C ATOM 402 SD MET A 51 2.628 -7.878 -7.149 1.00 0.00 S ATOM 403 CE MET A 51 2.180 -8.404 -5.500 1.00 0.00 C ATOM 0 H MET A 51 5.408 -6.312 -8.295 1.00 0.00 H new ATOM 0 HA MET A 51 4.081 -5.718 -5.816 1.00 0.00 H new ATOM 0 HB2 MET A 51 6.243 -7.793 -6.252 1.00 0.00 H new ATOM 0 HB3 MET A 51 4.886 -7.853 -5.145 1.00 0.00 H new ATOM 0 HG2 MET A 51 4.783 -8.091 -8.167 1.00 0.00 H new ATOM 0 HG3 MET A 51 4.496 -9.367 -7.000 1.00 0.00 H new ATOM 0 HE1 MET A 51 1.134 -8.161 -5.312 1.00 0.00 H new ATOM 0 HE2 MET A 51 2.325 -9.481 -5.410 1.00 0.00 H new ATOM 0 HE3 MET A 51 2.808 -7.891 -4.771 1.00 0.00 H new ATOM 413 N ASP A 52 7.369 -5.401 -6.008 1.00 0.00 N ATOM 414 CA ASP A 52 8.530 -4.789 -5.365 1.00 0.00 C ATOM 415 C ASP A 52 8.313 -3.295 -5.153 1.00 0.00 C ATOM 416 O ASP A 52 8.682 -2.746 -4.115 1.00 0.00 O ATOM 417 CB ASP A 52 9.790 -5.025 -6.200 1.00 0.00 C ATOM 418 CG ASP A 52 11.041 -4.472 -5.541 1.00 0.00 C ATOM 419 OD1 ASP A 52 11.109 -3.242 -5.331 1.00 0.00 O ATOM 420 OD2 ASP A 52 11.950 -5.270 -5.235 1.00 0.00 O ATOM 0 H ASP A 52 7.577 -5.878 -6.885 1.00 0.00 H new ATOM 0 HA ASP A 52 8.660 -5.258 -4.390 1.00 0.00 H new ATOM 0 HB2 ASP A 52 9.915 -6.095 -6.367 1.00 0.00 H new ATOM 0 HB3 ASP A 52 9.665 -4.562 -7.179 1.00 0.00 H new ATOM 425 N GLY A 53 7.709 -2.643 -6.140 1.00 0.00 N ATOM 426 CA GLY A 53 7.448 -1.220 -6.039 1.00 0.00 C ATOM 427 C GLY A 53 6.656 -0.877 -4.793 1.00 0.00 C ATOM 428 O GLY A 53 6.884 0.155 -4.166 1.00 0.00 O ATOM 0 H GLY A 53 7.395 -3.075 -7.009 1.00 0.00 H new ATOM 0 HA2 GLY A 53 8.393 -0.677 -6.029 1.00 0.00 H new ATOM 0 HA3 GLY A 53 6.899 -0.888 -6.921 1.00 0.00 H new ATOM 432 N LEU A 54 5.722 -1.750 -4.439 1.00 0.00 N ATOM 433 CA LEU A 54 4.889 -1.548 -3.261 1.00 0.00 C ATOM 434 C LEU A 54 5.697 -1.758 -1.983 1.00 0.00 C ATOM 435 O LEU A 54 5.415 -1.148 -0.951 1.00 0.00 O ATOM 436 CB LEU A 54 3.696 -2.506 -3.289 1.00 0.00 C ATOM 437 CG LEU A 54 2.876 -2.486 -4.582 1.00 0.00 C ATOM 438 CD1 LEU A 54 1.689 -3.429 -4.474 1.00 0.00 C ATOM 439 CD2 LEU A 54 2.412 -1.073 -4.907 1.00 0.00 C ATOM 0 H LEU A 54 5.522 -2.608 -4.953 1.00 0.00 H new ATOM 0 HA LEU A 54 4.523 -0.521 -3.273 1.00 0.00 H new ATOM 0 HB2 LEU A 54 4.060 -3.520 -3.124 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.037 -2.265 -2.455 1.00 0.00 H new ATOM 0 HG LEU A 54 3.515 -2.828 -5.397 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.117 -3.402 -5.402 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.045 -4.444 -4.297 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.052 -3.118 -3.646 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.832 -1.084 -5.830 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.792 -0.697 -4.093 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.279 -0.425 -5.032 1.00 0.00 H new ATOM 451 N LYS A 55 6.695 -2.636 -2.060 1.00 0.00 N ATOM 452 CA LYS A 55 7.543 -2.948 -0.912 1.00 0.00 C ATOM 453 C LYS A 55 8.112 -1.685 -0.269 1.00 0.00 C ATOM 454 O LYS A 55 8.031 -1.513 0.948 1.00 0.00 O ATOM 455 CB LYS A 55 8.683 -3.877 -1.334 1.00 0.00 C ATOM 456 CG LYS A 55 8.210 -5.239 -1.818 1.00 0.00 C ATOM 457 CD LYS A 55 9.362 -6.083 -2.339 1.00 0.00 C ATOM 458 CE LYS A 55 10.479 -6.187 -1.320 1.00 0.00 C ATOM 459 NZ LYS A 55 11.578 -7.078 -1.784 1.00 0.00 N ATOM 0 H LYS A 55 6.937 -3.146 -2.910 1.00 0.00 H new ATOM 0 HA LYS A 55 6.921 -3.450 -0.171 1.00 0.00 H new ATOM 0 HB2 LYS A 55 9.257 -3.398 -2.127 1.00 0.00 H new ATOM 0 HB3 LYS A 55 9.359 -4.015 -0.490 1.00 0.00 H new ATOM 0 HG2 LYS A 55 7.715 -5.764 -1.001 1.00 0.00 H new ATOM 0 HG3 LYS A 55 7.469 -5.108 -2.607 1.00 0.00 H new ATOM 0 HD2 LYS A 55 9.000 -7.081 -2.587 1.00 0.00 H new ATOM 0 HD3 LYS A 55 9.748 -5.646 -3.260 1.00 0.00 H new ATOM 0 HE2 LYS A 55 10.879 -5.193 -1.118 1.00 0.00 H new ATOM 0 HE3 LYS A 55 10.078 -6.566 -0.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 12.321 -7.121 -1.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 11.203 -8.033 -1.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 11.979 -6.703 -2.667 1.00 0.00 H new ATOM 473 N ASP A 56 8.683 -0.800 -1.081 1.00 0.00 N ATOM 474 CA ASP A 56 9.254 0.440 -0.565 1.00 0.00 C ATOM 475 C ASP A 56 8.186 1.274 0.136 1.00 0.00 C ATOM 476 O ASP A 56 8.474 1.994 1.091 1.00 0.00 O ATOM 477 CB ASP A 56 9.910 1.250 -1.688 1.00 0.00 C ATOM 478 CG ASP A 56 8.961 1.557 -2.829 1.00 0.00 C ATOM 479 OD1 ASP A 56 7.928 2.216 -2.584 1.00 0.00 O ATOM 480 OD2 ASP A 56 9.254 1.144 -3.970 1.00 0.00 O ATOM 0 H ASP A 56 8.762 -0.917 -2.091 1.00 0.00 H new ATOM 0 HA ASP A 56 10.023 0.178 0.162 1.00 0.00 H new ATOM 0 HB2 ASP A 56 10.292 2.185 -1.279 1.00 0.00 H new ATOM 0 HB3 ASP A 56 10.767 0.698 -2.074 1.00 0.00 H new ATOM 485 N GLY A 57 6.953 1.165 -0.348 1.00 0.00 N ATOM 486 CA GLY A 57 5.853 1.908 0.239 1.00 0.00 C ATOM 487 C GLY A 57 6.004 3.405 0.063 1.00 0.00 C ATOM 488 O GLY A 57 6.778 4.047 0.773 1.00 0.00 O ATOM 0 H GLY A 57 6.696 0.574 -1.138 1.00 0.00 H new ATOM 0 HA2 GLY A 57 4.917 1.585 -0.216 1.00 0.00 H new ATOM 0 HA3 GLY A 57 5.788 1.675 1.302 1.00 0.00 H new ATOM 492 N VAL A 58 5.249 3.959 -0.881 1.00 0.00 N ATOM 493 CA VAL A 58 5.277 5.392 -1.163 1.00 0.00 C ATOM 494 C VAL A 58 3.970 5.820 -1.812 1.00 0.00 C ATOM 495 O VAL A 58 3.244 6.656 -1.281 1.00 0.00 O ATOM 496 CB VAL A 58 6.425 5.776 -2.122 1.00 0.00 C ATOM 497 CG1 VAL A 58 6.437 7.279 -2.361 1.00 0.00 C ATOM 498 CG2 VAL A 58 7.772 5.312 -1.589 1.00 0.00 C ATOM 0 H VAL A 58 4.604 3.432 -1.469 1.00 0.00 H new ATOM 0 HA VAL A 58 5.428 5.896 -0.208 1.00 0.00 H new ATOM 0 HB VAL A 58 6.250 5.270 -3.072 1.00 0.00 H new ATOM 0 HG11 VAL A 58 7.252 7.533 -3.039 1.00 0.00 H new ATOM 0 HG12 VAL A 58 5.489 7.585 -2.803 1.00 0.00 H new ATOM 0 HG13 VAL A 58 6.579 7.797 -1.413 1.00 0.00 H new ATOM 0 HG21 VAL A 58 8.558 5.598 -2.288 1.00 0.00 H new ATOM 0 HG22 VAL A 58 7.960 5.777 -0.621 1.00 0.00 H new ATOM 0 HG23 VAL A 58 7.765 4.228 -1.475 1.00 0.00 H new ATOM 508 N ILE A 59 3.680 5.229 -2.966 1.00 0.00 N ATOM 509 CA ILE A 59 2.463 5.536 -3.698 1.00 0.00 C ATOM 510 C ILE A 59 1.235 5.041 -2.944 1.00 0.00 C ATOM 511 O ILE A 59 0.235 5.748 -2.847 1.00 0.00 O ATOM 512 CB ILE A 59 2.479 4.921 -5.115 1.00 0.00 C ATOM 513 CG1 ILE A 59 3.467 5.663 -6.015 1.00 0.00 C ATOM 514 CG2 ILE A 59 1.089 4.941 -5.731 1.00 0.00 C ATOM 515 CD1 ILE A 59 4.923 5.360 -5.737 1.00 0.00 C ATOM 0 H ILE A 59 4.276 4.532 -3.414 1.00 0.00 H new ATOM 0 HA ILE A 59 2.414 6.621 -3.792 1.00 0.00 H new ATOM 0 HB ILE A 59 2.801 3.883 -5.026 1.00 0.00 H new ATOM 0 HG12 ILE A 59 3.250 5.414 -7.054 1.00 0.00 H new ATOM 0 HG13 ILE A 59 3.305 6.735 -5.904 1.00 0.00 H new ATOM 0 HG21 ILE A 59 1.127 4.503 -6.728 1.00 0.00 H new ATOM 0 HG22 ILE A 59 0.406 4.365 -5.107 1.00 0.00 H new ATOM 0 HG23 ILE A 59 0.736 5.970 -5.800 1.00 0.00 H new ATOM 0 HD11 ILE A 59 5.551 5.930 -6.422 1.00 0.00 H new ATOM 0 HD12 ILE A 59 5.163 5.636 -4.710 1.00 0.00 H new ATOM 0 HD13 ILE A 59 5.106 4.295 -5.878 1.00 0.00 H new ATOM 527 N LEU A 60 1.316 3.826 -2.409 1.00 0.00 N ATOM 528 CA LEU A 60 0.204 3.255 -1.659 1.00 0.00 C ATOM 529 C LEU A 60 -0.109 4.115 -0.445 1.00 0.00 C ATOM 530 O LEU A 60 -1.267 4.435 -0.181 1.00 0.00 O ATOM 531 CB LEU A 60 0.522 1.823 -1.227 1.00 0.00 C ATOM 532 CG LEU A 60 0.742 0.838 -2.375 1.00 0.00 C ATOM 533 CD1 LEU A 60 0.966 -0.566 -1.832 1.00 0.00 C ATOM 534 CD2 LEU A 60 -0.439 0.863 -3.337 1.00 0.00 C ATOM 0 H LEU A 60 2.135 3.222 -2.481 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.672 3.231 -2.308 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.416 1.837 -0.603 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.295 1.457 -0.605 1.00 0.00 H new ATOM 0 HG LEU A 60 1.633 1.140 -2.925 1.00 0.00 H new ATOM 0 HD11 LEU A 60 1.121 -1.256 -2.661 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.844 -0.571 -1.187 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.093 -0.878 -1.259 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.263 0.155 -4.147 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.348 0.586 -2.804 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.551 1.866 -3.749 1.00 0.00 H new ATOM 546 N CYS A 61 0.935 4.507 0.279 1.00 0.00 N ATOM 547 CA CYS A 61 0.771 5.354 1.449 1.00 0.00 C ATOM 548 C CYS A 61 0.138 6.677 1.038 1.00 0.00 C ATOM 549 O CYS A 61 -0.749 7.196 1.713 1.00 0.00 O ATOM 550 CB CYS A 61 2.121 5.583 2.129 1.00 0.00 C ATOM 551 SG CYS A 61 2.803 4.101 2.902 1.00 0.00 S ATOM 0 H CYS A 61 1.901 4.251 0.074 1.00 0.00 H new ATOM 0 HA CYS A 61 0.113 4.860 2.164 1.00 0.00 H new ATOM 0 HB2 CYS A 61 2.831 5.957 1.391 1.00 0.00 H new ATOM 0 HB3 CYS A 61 2.010 6.359 2.886 1.00 0.00 H new ATOM 0 HG CYS A 61 2.409 4.037 4.139 1.00 0.00 H new ATOM 557 N GLU A 62 0.588 7.200 -0.095 1.00 0.00 N ATOM 558 CA GLU A 62 0.059 8.443 -0.635 1.00 0.00 C ATOM 559 C GLU A 62 -1.378 8.245 -1.112 1.00 0.00 C ATOM 560 O GLU A 62 -2.190 9.170 -1.079 1.00 0.00 O ATOM 561 CB GLU A 62 0.940 8.925 -1.787 1.00 0.00 C ATOM 562 CG GLU A 62 2.314 9.393 -1.342 1.00 0.00 C ATOM 563 CD GLU A 62 3.123 9.994 -2.474 1.00 0.00 C ATOM 564 OE1 GLU A 62 2.666 10.997 -3.062 1.00 0.00 O ATOM 565 OE2 GLU A 62 4.213 9.463 -2.774 1.00 0.00 O ATOM 0 H GLU A 62 1.324 6.778 -0.661 1.00 0.00 H new ATOM 0 HA GLU A 62 0.060 9.199 0.150 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.056 8.116 -2.508 1.00 0.00 H new ATOM 0 HB3 GLU A 62 0.436 9.742 -2.303 1.00 0.00 H new ATOM 0 HG2 GLU A 62 2.202 10.132 -0.549 1.00 0.00 H new ATOM 0 HG3 GLU A 62 2.860 8.551 -0.918 1.00 0.00 H new ATOM 572 N LEU A 63 -1.676 7.029 -1.562 1.00 0.00 N ATOM 573 CA LEU A 63 -2.997 6.680 -2.060 1.00 0.00 C ATOM 574 C LEU A 63 -4.034 6.677 -0.941 1.00 0.00 C ATOM 575 O LEU A 63 -5.090 7.297 -1.064 1.00 0.00 O ATOM 576 CB LEU A 63 -2.925 5.305 -2.732 1.00 0.00 C ATOM 577 CG LEU A 63 -4.238 4.744 -3.286 1.00 0.00 C ATOM 578 CD1 LEU A 63 -5.129 4.219 -2.170 1.00 0.00 C ATOM 579 CD2 LEU A 63 -4.972 5.794 -4.107 1.00 0.00 C ATOM 0 H LEU A 63 -1.006 6.260 -1.590 1.00 0.00 H new ATOM 0 HA LEU A 63 -3.311 7.431 -2.785 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -2.207 5.363 -3.550 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.528 4.593 -2.009 1.00 0.00 H new ATOM 0 HG LEU A 63 -3.990 3.908 -3.939 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -6.053 3.828 -2.596 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.611 3.424 -1.634 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -5.362 5.029 -1.479 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -5.901 5.372 -4.490 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -5.196 6.656 -3.478 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -4.345 6.107 -4.942 1.00 0.00 H new ATOM 591 N ILE A 64 -3.738 5.963 0.141 1.00 0.00 N ATOM 592 CA ILE A 64 -4.661 5.876 1.265 1.00 0.00 C ATOM 593 C ILE A 64 -4.985 7.255 1.827 1.00 0.00 C ATOM 594 O ILE A 64 -6.127 7.525 2.186 1.00 0.00 O ATOM 595 CB ILE A 64 -4.117 4.972 2.388 1.00 0.00 C ATOM 596 CG1 ILE A 64 -5.118 4.884 3.537 1.00 0.00 C ATOM 597 CG2 ILE A 64 -2.771 5.476 2.883 1.00 0.00 C ATOM 598 CD1 ILE A 64 -6.441 4.261 3.147 1.00 0.00 C ATOM 0 H ILE A 64 -2.871 5.439 0.262 1.00 0.00 H new ATOM 0 HA ILE A 64 -5.577 5.429 0.879 1.00 0.00 H new ATOM 0 HB ILE A 64 -3.973 3.971 1.981 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -4.678 4.302 4.347 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -5.299 5.886 3.926 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -2.407 4.822 3.675 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -2.058 5.479 2.059 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -2.882 6.489 3.270 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -7.100 4.233 4.015 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -6.904 4.855 2.359 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -6.273 3.246 2.786 1.00 0.00 H new ATOM 610 N ASN A 65 -3.986 8.133 1.890 1.00 0.00 N ATOM 611 CA ASN A 65 -4.206 9.484 2.399 1.00 0.00 C ATOM 612 C ASN A 65 -5.390 10.135 1.694 1.00 0.00 C ATOM 613 O ASN A 65 -6.073 10.988 2.263 1.00 0.00 O ATOM 614 CB ASN A 65 -2.951 10.346 2.229 1.00 0.00 C ATOM 615 CG ASN A 65 -1.909 10.064 3.294 1.00 0.00 C ATOM 616 OD1 ASN A 65 -2.178 10.195 4.488 1.00 0.00 O ATOM 617 ND2 ASN A 65 -0.709 9.687 2.870 1.00 0.00 N ATOM 0 H ASN A 65 -3.028 7.937 1.599 1.00 0.00 H new ATOM 0 HA ASN A 65 -4.429 9.409 3.463 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -2.519 10.165 1.245 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -3.229 11.399 2.266 1.00 0.00 H new ATOM 0 HD21 ASN A 65 0.032 9.494 3.543 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -0.528 9.591 1.871 1.00 0.00 H new ATOM 624 N LYS A 66 -5.639 9.713 0.457 1.00 0.00 N ATOM 625 CA LYS A 66 -6.742 10.234 -0.324 1.00 0.00 C ATOM 626 C LYS A 66 -8.068 9.728 0.229 1.00 0.00 C ATOM 627 O LYS A 66 -8.994 10.503 0.469 1.00 0.00 O ATOM 628 CB LYS A 66 -6.588 9.802 -1.777 1.00 0.00 C ATOM 629 CG LYS A 66 -5.330 10.328 -2.444 1.00 0.00 C ATOM 630 CD LYS A 66 -5.297 11.847 -2.464 1.00 0.00 C ATOM 631 CE LYS A 66 -6.282 12.420 -3.471 1.00 0.00 C ATOM 632 NZ LYS A 66 -7.697 12.147 -3.097 1.00 0.00 N ATOM 0 H LYS A 66 -5.083 9.006 -0.023 1.00 0.00 H new ATOM 0 HA LYS A 66 -6.733 11.322 -0.267 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -6.584 8.713 -1.824 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -7.456 10.142 -2.341 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -4.454 9.952 -1.916 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -5.274 9.949 -3.465 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -5.530 12.229 -1.470 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -4.290 12.186 -2.707 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -6.131 13.497 -3.551 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -6.080 11.996 -4.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -8.286 12.967 -3.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -8.036 11.308 -3.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -7.759 11.976 -2.073 1.00 0.00 H new ATOM 646 N LEU A 67 -8.145 8.416 0.426 1.00 0.00 N ATOM 647 CA LEU A 67 -9.349 7.785 0.950 1.00 0.00 C ATOM 648 C LEU A 67 -9.520 8.095 2.433 1.00 0.00 C ATOM 649 O LEU A 67 -10.534 8.656 2.849 1.00 0.00 O ATOM 650 CB LEU A 67 -9.273 6.270 0.744 1.00 0.00 C ATOM 651 CG LEU A 67 -8.861 5.826 -0.662 1.00 0.00 C ATOM 652 CD1 LEU A 67 -8.804 4.308 -0.743 1.00 0.00 C ATOM 653 CD2 LEU A 67 -9.817 6.382 -1.706 1.00 0.00 C ATOM 0 H LEU A 67 -7.383 7.767 0.229 1.00 0.00 H new ATOM 0 HA LEU A 67 -10.209 8.183 0.411 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -8.564 5.856 1.461 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -10.247 5.838 0.974 1.00 0.00 H new ATOM 0 HG LEU A 67 -7.867 6.222 -0.869 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -8.510 4.008 -1.749 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -8.075 3.932 -0.025 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -9.786 3.894 -0.514 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -9.504 6.053 -2.697 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -10.825 6.020 -1.505 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -9.807 7.471 -1.665 1.00 0.00 H new ATOM 665 N GLN A 68 -8.514 7.731 3.225 1.00 0.00 N ATOM 666 CA GLN A 68 -8.541 7.972 4.659 1.00 0.00 C ATOM 667 C GLN A 68 -7.595 9.114 5.033 1.00 0.00 C ATOM 668 O GLN A 68 -6.379 9.003 4.880 1.00 0.00 O ATOM 669 CB GLN A 68 -8.156 6.699 5.416 1.00 0.00 C ATOM 670 CG GLN A 68 -8.231 6.841 6.929 1.00 0.00 C ATOM 671 CD GLN A 68 -7.837 5.572 7.667 1.00 0.00 C ATOM 672 OE1 GLN A 68 -7.479 4.530 6.922 1.00 0.00 O flip ATOM 673 NE2 GLN A 68 -7.855 5.529 8.897 1.00 0.00 N flip ATOM 0 H GLN A 68 -7.669 7.267 2.893 1.00 0.00 H new ATOM 0 HA GLN A 68 -9.554 8.258 4.940 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -8.813 5.888 5.103 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -7.142 6.413 5.137 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -7.578 7.655 7.244 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -9.246 7.118 7.212 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -8.136 6.351 9.432 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -7.589 4.672 9.381 1.00 0.00 H new ATOM 682 N PRO A 69 -8.153 10.232 5.517 1.00 0.00 N ATOM 683 CA PRO A 69 -7.376 11.411 5.908 1.00 0.00 C ATOM 684 C PRO A 69 -6.271 11.105 6.918 1.00 0.00 C ATOM 685 O PRO A 69 -6.499 10.429 7.921 1.00 0.00 O ATOM 686 CB PRO A 69 -8.422 12.323 6.550 1.00 0.00 C ATOM 687 CG PRO A 69 -9.715 11.909 5.960 1.00 0.00 C ATOM 688 CD PRO A 69 -9.597 10.438 5.700 1.00 0.00 C ATOM 0 HA PRO A 69 -6.859 11.841 5.051 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -8.430 12.210 7.634 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -8.212 13.372 6.340 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -10.540 12.120 6.640 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -9.915 12.454 5.037 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -9.983 9.852 6.534 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -10.159 10.141 4.815 1.00 0.00 H new ATOM 696 N GLY A 70 -5.079 11.636 6.654 1.00 0.00 N ATOM 697 CA GLY A 70 -3.947 11.448 7.549 1.00 0.00 C ATOM 698 C GLY A 70 -3.607 9.993 7.822 1.00 0.00 C ATOM 699 O GLY A 70 -3.409 9.608 8.974 1.00 0.00 O ATOM 0 H GLY A 70 -4.875 12.199 5.828 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -3.074 11.940 7.121 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -4.160 11.944 8.496 1.00 0.00 H new ATOM 703 N SER A 71 -3.525 9.184 6.771 1.00 0.00 N ATOM 704 CA SER A 71 -3.189 7.773 6.926 1.00 0.00 C ATOM 705 C SER A 71 -1.678 7.578 7.026 1.00 0.00 C ATOM 706 O SER A 71 -1.187 6.908 7.934 1.00 0.00 O ATOM 707 CB SER A 71 -3.744 6.959 5.759 1.00 0.00 C ATOM 708 OG SER A 71 -5.159 6.977 5.756 1.00 0.00 O ATOM 0 H SER A 71 -3.686 9.479 5.808 1.00 0.00 H new ATOM 0 HA SER A 71 -3.644 7.420 7.852 1.00 0.00 H new ATOM 0 HB2 SER A 71 -3.370 7.363 4.818 1.00 0.00 H new ATOM 0 HB3 SER A 71 -3.390 5.930 5.827 1.00 0.00 H new ATOM 0 HG SER A 71 -5.476 7.630 5.098 1.00 0.00 H new ATOM 714 N VAL A 72 -0.946 8.172 6.085 1.00 0.00 N ATOM 715 CA VAL A 72 0.510 8.071 6.062 1.00 0.00 C ATOM 716 C VAL A 72 1.127 9.379 5.568 1.00 0.00 C ATOM 717 O VAL A 72 1.988 9.382 4.687 1.00 0.00 O ATOM 718 CB VAL A 72 0.995 6.918 5.153 1.00 0.00 C ATOM 719 CG1 VAL A 72 2.481 6.660 5.361 1.00 0.00 C ATOM 720 CG2 VAL A 72 0.191 5.650 5.395 1.00 0.00 C ATOM 0 H VAL A 72 -1.340 8.729 5.327 1.00 0.00 H new ATOM 0 HA VAL A 72 0.830 7.866 7.084 1.00 0.00 H new ATOM 0 HB VAL A 72 0.838 7.220 4.117 1.00 0.00 H new ATOM 0 HG11 VAL A 72 2.803 5.845 4.713 1.00 0.00 H new ATOM 0 HG12 VAL A 72 3.044 7.561 5.118 1.00 0.00 H new ATOM 0 HG13 VAL A 72 2.661 6.389 6.401 1.00 0.00 H new ATOM 0 HG21 VAL A 72 0.556 4.858 4.741 1.00 0.00 H new ATOM 0 HG22 VAL A 72 0.301 5.342 6.435 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -0.861 5.840 5.183 1.00 0.00 H new ATOM 730 N GLN A 73 0.672 10.491 6.137 1.00 0.00 N ATOM 731 CA GLN A 73 1.174 11.806 5.750 1.00 0.00 C ATOM 732 C GLN A 73 2.683 11.896 5.951 1.00 0.00 C ATOM 733 O GLN A 73 3.402 12.417 5.097 1.00 0.00 O ATOM 734 CB GLN A 73 0.469 12.900 6.553 1.00 0.00 C ATOM 735 CG GLN A 73 0.659 12.767 8.053 1.00 0.00 C ATOM 736 CD GLN A 73 0.010 13.897 8.826 1.00 0.00 C ATOM 737 OE1 GLN A 73 0.347 15.067 8.641 1.00 0.00 O ATOM 738 NE2 GLN A 73 -0.929 13.553 9.701 1.00 0.00 N ATOM 0 H GLN A 73 -0.041 10.509 6.866 1.00 0.00 H new ATOM 0 HA GLN A 73 0.962 11.951 4.691 1.00 0.00 H new ATOM 0 HB2 GLN A 73 0.842 13.873 6.232 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -0.597 12.877 6.326 1.00 0.00 H new ATOM 0 HG2 GLN A 73 0.240 11.817 8.386 1.00 0.00 H new ATOM 0 HG3 GLN A 73 1.725 12.742 8.280 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -1.178 12.571 9.823 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -1.401 14.271 10.251 1.00 0.00 H new ATOM 747 N LYS A 74 3.158 11.388 7.084 1.00 0.00 N ATOM 748 CA LYS A 74 4.583 11.412 7.397 1.00 0.00 C ATOM 749 C LYS A 74 5.323 10.281 6.686 1.00 0.00 C ATOM 750 O LYS A 74 6.176 9.618 7.279 1.00 0.00 O ATOM 751 CB LYS A 74 4.793 11.304 8.908 1.00 0.00 C ATOM 752 CG LYS A 74 4.145 12.432 9.696 1.00 0.00 C ATOM 753 CD LYS A 74 4.374 12.278 11.192 1.00 0.00 C ATOM 754 CE LYS A 74 5.853 12.339 11.543 1.00 0.00 C ATOM 755 NZ LYS A 74 6.082 12.185 13.006 1.00 0.00 N ATOM 0 H LYS A 74 2.577 10.954 7.801 1.00 0.00 H new ATOM 0 HA LYS A 74 4.989 12.360 7.044 1.00 0.00 H new ATOM 0 HB2 LYS A 74 4.391 10.352 9.255 1.00 0.00 H new ATOM 0 HB3 LYS A 74 5.863 11.294 9.118 1.00 0.00 H new ATOM 0 HG2 LYS A 74 4.549 13.388 9.363 1.00 0.00 H new ATOM 0 HG3 LYS A 74 3.074 12.450 9.492 1.00 0.00 H new ATOM 0 HD2 LYS A 74 3.841 13.065 11.725 1.00 0.00 H new ATOM 0 HD3 LYS A 74 3.959 11.328 11.528 1.00 0.00 H new ATOM 0 HE2 LYS A 74 6.386 11.554 11.007 1.00 0.00 H new ATOM 0 HE3 LYS A 74 6.267 13.290 11.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 7.102 12.232 13.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 5.594 12.949 13.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 5.710 11.266 13.321 1.00 0.00 H new ATOM 769 N VAL A 75 4.997 10.065 5.415 1.00 0.00 N ATOM 770 CA VAL A 75 5.638 9.014 4.633 1.00 0.00 C ATOM 771 C VAL A 75 7.134 9.278 4.482 1.00 0.00 C ATOM 772 O VAL A 75 7.546 10.337 4.008 1.00 0.00 O ATOM 773 CB VAL A 75 4.992 8.877 3.237 1.00 0.00 C ATOM 774 CG1 VAL A 75 4.934 10.225 2.535 1.00 0.00 C ATOM 775 CG2 VAL A 75 5.740 7.855 2.394 1.00 0.00 C ATOM 0 H VAL A 75 4.295 10.602 4.906 1.00 0.00 H new ATOM 0 HA VAL A 75 5.496 8.079 5.175 1.00 0.00 H new ATOM 0 HB VAL A 75 3.970 8.521 3.368 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.475 10.105 1.554 1.00 0.00 H new ATOM 0 HG12 VAL A 75 4.341 10.920 3.130 1.00 0.00 H new ATOM 0 HG13 VAL A 75 5.944 10.618 2.418 1.00 0.00 H new ATOM 0 HG21 VAL A 75 5.267 7.775 1.415 1.00 0.00 H new ATOM 0 HG22 VAL A 75 6.776 8.172 2.272 1.00 0.00 H new ATOM 0 HG23 VAL A 75 5.713 6.885 2.890 1.00 0.00 H new ATOM 785 N ASN A 76 7.943 8.307 4.897 1.00 0.00 N ATOM 786 CA ASN A 76 9.395 8.428 4.820 1.00 0.00 C ATOM 787 C ASN A 76 9.928 7.913 3.486 1.00 0.00 C ATOM 788 O ASN A 76 9.477 6.884 2.982 1.00 0.00 O ATOM 789 CB ASN A 76 10.051 7.653 5.964 1.00 0.00 C ATOM 790 CG ASN A 76 9.574 8.110 7.327 1.00 0.00 C ATOM 791 OD1 ASN A 76 9.708 9.279 7.687 1.00 0.00 O ATOM 792 ND2 ASN A 76 9.015 7.182 8.097 1.00 0.00 N ATOM 0 H ASN A 76 7.616 7.425 5.291 1.00 0.00 H new ATOM 0 HA ASN A 76 9.643 9.486 4.904 1.00 0.00 H new ATOM 0 HB2 ASN A 76 9.839 6.590 5.847 1.00 0.00 H new ATOM 0 HB3 ASN A 76 11.133 7.770 5.904 1.00 0.00 H new ATOM 0 HD21 ASN A 76 8.677 7.427 9.027 1.00 0.00 H new ATOM 0 HD22 ASN A 76 8.924 6.224 7.757 1.00 0.00 H new ATOM 799 N ASP A 77 10.903 8.625 2.930 1.00 0.00 N ATOM 800 CA ASP A 77 11.514 8.230 1.667 1.00 0.00 C ATOM 801 C ASP A 77 12.200 6.872 1.831 1.00 0.00 C ATOM 802 O ASP A 77 12.993 6.688 2.753 1.00 0.00 O ATOM 803 CB ASP A 77 12.529 9.296 1.230 1.00 0.00 C ATOM 804 CG ASP A 77 13.123 9.039 -0.143 1.00 0.00 C ATOM 805 OD1 ASP A 77 12.770 8.020 -0.768 1.00 0.00 O ATOM 806 OD2 ASP A 77 13.948 9.862 -0.592 1.00 0.00 O ATOM 0 H ASP A 77 11.287 9.479 3.335 1.00 0.00 H new ATOM 0 HA ASP A 77 10.745 8.143 0.899 1.00 0.00 H new ATOM 0 HB2 ASP A 77 12.042 10.271 1.230 1.00 0.00 H new ATOM 0 HB3 ASP A 77 13.334 9.342 1.963 1.00 0.00 H new ATOM 811 N PRO A 78 11.882 5.892 0.961 1.00 0.00 N ATOM 812 CA PRO A 78 12.458 4.539 1.040 1.00 0.00 C ATOM 813 C PRO A 78 13.947 4.478 0.691 1.00 0.00 C ATOM 814 O PRO A 78 14.386 3.567 -0.014 1.00 0.00 O ATOM 815 CB PRO A 78 11.644 3.750 0.011 1.00 0.00 C ATOM 816 CG PRO A 78 11.169 4.773 -0.957 1.00 0.00 C ATOM 817 CD PRO A 78 10.911 6.008 -0.145 1.00 0.00 C ATOM 0 HA PRO A 78 12.405 4.151 2.057 1.00 0.00 H new ATOM 0 HB2 PRO A 78 12.254 2.993 -0.481 1.00 0.00 H new ATOM 0 HB3 PRO A 78 10.809 3.231 0.481 1.00 0.00 H new ATOM 0 HG2 PRO A 78 11.916 4.960 -1.728 1.00 0.00 H new ATOM 0 HG3 PRO A 78 10.263 4.441 -1.465 1.00 0.00 H new ATOM 0 HD2 PRO A 78 11.071 6.915 -0.728 1.00 0.00 H new ATOM 0 HD3 PRO A 78 9.885 6.042 0.222 1.00 0.00 H new ATOM 825 N VAL A 79 14.727 5.431 1.195 1.00 0.00 N ATOM 826 CA VAL A 79 16.163 5.452 0.937 1.00 0.00 C ATOM 827 C VAL A 79 16.867 4.366 1.743 1.00 0.00 C ATOM 828 O VAL A 79 17.607 3.549 1.195 1.00 0.00 O ATOM 829 CB VAL A 79 16.781 6.817 1.295 1.00 0.00 C ATOM 830 CG1 VAL A 79 18.273 6.826 0.993 1.00 0.00 C ATOM 831 CG2 VAL A 79 16.074 7.938 0.553 1.00 0.00 C ATOM 0 H VAL A 79 14.391 6.195 1.781 1.00 0.00 H new ATOM 0 HA VAL A 79 16.301 5.271 -0.129 1.00 0.00 H new ATOM 0 HB VAL A 79 16.649 6.982 2.364 1.00 0.00 H new ATOM 0 HG11 VAL A 79 18.691 7.799 1.253 1.00 0.00 H new ATOM 0 HG12 VAL A 79 18.767 6.051 1.578 1.00 0.00 H new ATOM 0 HG13 VAL A 79 18.431 6.635 -0.069 1.00 0.00 H new ATOM 0 HG21 VAL A 79 16.526 8.893 0.820 1.00 0.00 H new ATOM 0 HG22 VAL A 79 16.169 7.780 -0.521 1.00 0.00 H new ATOM 0 HG23 VAL A 79 15.019 7.947 0.827 1.00 0.00 H new ATOM 841 N GLN A 80 16.623 4.366 3.050 1.00 0.00 N ATOM 842 CA GLN A 80 17.222 3.384 3.949 1.00 0.00 C ATOM 843 C GLN A 80 16.542 2.024 3.797 1.00 0.00 C ATOM 844 O GLN A 80 16.467 1.480 2.695 1.00 0.00 O ATOM 845 CB GLN A 80 17.130 3.875 5.395 1.00 0.00 C ATOM 846 CG GLN A 80 17.840 5.199 5.634 1.00 0.00 C ATOM 847 CD GLN A 80 19.326 5.125 5.347 1.00 0.00 C ATOM 848 OE1 GLN A 80 20.051 4.341 5.963 1.00 0.00 O ATOM 849 NE2 GLN A 80 19.790 5.942 4.410 1.00 0.00 N ATOM 0 H GLN A 80 16.011 5.039 3.512 1.00 0.00 H new ATOM 0 HA GLN A 80 18.273 3.265 3.685 1.00 0.00 H new ATOM 0 HB2 GLN A 80 16.080 3.981 5.668 1.00 0.00 H new ATOM 0 HB3 GLN A 80 17.556 3.119 6.055 1.00 0.00 H new ATOM 0 HG2 GLN A 80 17.390 5.967 5.004 1.00 0.00 H new ATOM 0 HG3 GLN A 80 17.689 5.506 6.669 1.00 0.00 H new ATOM 0 HE21 GLN A 80 19.154 6.575 3.925 1.00 0.00 H new ATOM 0 HE22 GLN A 80 20.783 5.937 4.175 1.00 0.00 H new ATOM 858 N ASN A 81 16.046 1.475 4.906 1.00 0.00 N ATOM 859 CA ASN A 81 15.375 0.180 4.883 1.00 0.00 C ATOM 860 C ASN A 81 14.198 0.163 5.852 1.00 0.00 C ATOM 861 O ASN A 81 13.102 -0.276 5.502 1.00 0.00 O ATOM 862 CB ASN A 81 16.359 -0.936 5.242 1.00 0.00 C ATOM 863 CG ASN A 81 17.543 -0.992 4.297 1.00 0.00 C ATOM 864 OD1 ASN A 81 17.382 -1.182 3.091 1.00 0.00 O ATOM 865 ND2 ASN A 81 18.743 -0.826 4.841 1.00 0.00 N ATOM 0 H ASN A 81 16.097 1.908 5.828 1.00 0.00 H new ATOM 0 HA ASN A 81 14.998 0.012 3.874 1.00 0.00 H new ATOM 0 HB2 ASN A 81 16.718 -0.786 6.260 1.00 0.00 H new ATOM 0 HB3 ASN A 81 15.839 -1.894 5.225 1.00 0.00 H new ATOM 0 HD21 ASN A 81 19.577 -0.853 4.254 1.00 0.00 H new ATOM 0 HD22 ASN A 81 18.831 -0.671 5.845 1.00 0.00 H new ATOM 872 N TRP A 82 14.429 0.643 7.071 1.00 0.00 N ATOM 873 CA TRP A 82 13.381 0.680 8.084 1.00 0.00 C ATOM 874 C TRP A 82 12.265 1.639 7.674 1.00 0.00 C ATOM 875 O TRP A 82 11.118 1.484 8.091 1.00 0.00 O ATOM 876 CB TRP A 82 13.960 1.058 9.452 1.00 0.00 C ATOM 877 CG TRP A 82 14.644 2.391 9.492 1.00 0.00 C ATOM 878 CD1 TRP A 82 15.878 2.696 8.995 1.00 0.00 C ATOM 879 CD2 TRP A 82 14.148 3.591 10.096 1.00 0.00 C ATOM 880 NE1 TRP A 82 16.172 4.016 9.235 1.00 0.00 N ATOM 881 CE2 TRP A 82 15.126 4.587 9.913 1.00 0.00 C ATOM 882 CE3 TRP A 82 12.967 3.923 10.769 1.00 0.00 C ATOM 883 CZ2 TRP A 82 14.960 5.889 10.379 1.00 0.00 C ATOM 884 CZ3 TRP A 82 12.805 5.215 11.231 1.00 0.00 C ATOM 885 CH2 TRP A 82 13.797 6.185 11.034 1.00 0.00 C ATOM 0 H TRP A 82 15.329 1.010 7.379 1.00 0.00 H new ATOM 0 HA TRP A 82 12.951 -0.318 8.167 1.00 0.00 H new ATOM 0 HB2 TRP A 82 13.155 1.055 10.186 1.00 0.00 H new ATOM 0 HB3 TRP A 82 14.671 0.290 9.756 1.00 0.00 H new ATOM 0 HD1 TRP A 82 16.529 2.000 8.487 1.00 0.00 H new ATOM 0 HE1 TRP A 82 17.029 4.494 8.955 1.00 0.00 H new ATOM 0 HE3 TRP A 82 12.196 3.183 10.924 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 15.723 6.638 10.228 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 11.898 5.482 11.753 1.00 0.00 H new ATOM 0 HH2 TRP A 82 13.640 7.186 11.407 1.00 0.00 H new ATOM 896 N HIS A 83 12.608 2.621 6.840 1.00 0.00 N ATOM 897 CA HIS A 83 11.629 3.592 6.356 1.00 0.00 C ATOM 898 C HIS A 83 10.458 2.881 5.685 1.00 0.00 C ATOM 899 O HIS A 83 9.297 3.207 5.931 1.00 0.00 O ATOM 900 CB HIS A 83 12.286 4.560 5.366 1.00 0.00 C ATOM 901 CG HIS A 83 13.282 5.484 5.993 1.00 0.00 C ATOM 902 ND1 HIS A 83 14.122 6.296 5.260 1.00 0.00 N ATOM 903 CD2 HIS A 83 13.560 5.736 7.293 1.00 0.00 C ATOM 904 CE1 HIS A 83 14.875 7.005 6.084 1.00 0.00 C ATOM 905 NE2 HIS A 83 14.552 6.684 7.321 1.00 0.00 N ATOM 0 H HIS A 83 13.554 2.764 6.487 1.00 0.00 H new ATOM 0 HA HIS A 83 11.254 4.157 7.210 1.00 0.00 H new ATOM 0 HB2 HIS A 83 12.781 3.984 4.584 1.00 0.00 H new ATOM 0 HB3 HIS A 83 11.509 5.153 4.882 1.00 0.00 H new ATOM 0 HD1 HIS A 83 14.157 6.342 4.242 1.00 0.00 H new ATOM 0 HD2 HIS A 83 13.089 5.277 8.149 1.00 0.00 H new ATOM 0 HE1 HIS A 83 15.626 7.724 5.793 1.00 0.00 H new ATOM 0 HE2 HIS A 83 14.972 7.077 8.163 1.00 0.00 H new ATOM 914 N LYS A 84 10.777 1.904 4.840 1.00 0.00 N ATOM 915 CA LYS A 84 9.757 1.137 4.134 1.00 0.00 C ATOM 916 C LYS A 84 8.824 0.449 5.123 1.00 0.00 C ATOM 917 O LYS A 84 7.607 0.455 4.953 1.00 0.00 O ATOM 918 CB LYS A 84 10.415 0.090 3.232 1.00 0.00 C ATOM 919 CG LYS A 84 11.376 0.679 2.212 1.00 0.00 C ATOM 920 CD LYS A 84 12.044 -0.410 1.387 1.00 0.00 C ATOM 921 CE LYS A 84 12.989 0.177 0.351 1.00 0.00 C ATOM 922 NZ LYS A 84 13.646 -0.880 -0.466 1.00 0.00 N ATOM 0 H LYS A 84 11.735 1.625 4.628 1.00 0.00 H new ATOM 0 HA LYS A 84 9.174 1.824 3.521 1.00 0.00 H new ATOM 0 HB2 LYS A 84 10.953 -0.626 3.854 1.00 0.00 H new ATOM 0 HB3 LYS A 84 9.637 -0.465 2.707 1.00 0.00 H new ATOM 0 HG2 LYS A 84 10.837 1.359 1.552 1.00 0.00 H new ATOM 0 HG3 LYS A 84 12.137 1.268 2.724 1.00 0.00 H new ATOM 0 HD2 LYS A 84 12.596 -1.080 2.046 1.00 0.00 H new ATOM 0 HD3 LYS A 84 11.282 -1.009 0.888 1.00 0.00 H new ATOM 0 HE2 LYS A 84 12.436 0.850 -0.304 1.00 0.00 H new ATOM 0 HE3 LYS A 84 13.751 0.774 0.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 14.282 -0.437 -1.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 14.195 -1.508 0.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 12.921 -1.434 -0.965 1.00 0.00 H new ATOM 936 N LEU A 85 9.412 -0.143 6.156 1.00 0.00 N ATOM 937 CA LEU A 85 8.656 -0.842 7.183 1.00 0.00 C ATOM 938 C LEU A 85 7.637 0.082 7.843 1.00 0.00 C ATOM 939 O LEU A 85 6.553 -0.351 8.236 1.00 0.00 O ATOM 940 CB LEU A 85 9.616 -1.396 8.237 1.00 0.00 C ATOM 941 CG LEU A 85 10.664 -2.377 7.707 1.00 0.00 C ATOM 942 CD1 LEU A 85 11.632 -2.772 8.813 1.00 0.00 C ATOM 943 CD2 LEU A 85 9.993 -3.609 7.120 1.00 0.00 C ATOM 0 H LEU A 85 10.421 -0.151 6.303 1.00 0.00 H new ATOM 0 HA LEU A 85 8.113 -1.662 6.713 1.00 0.00 H new ATOM 0 HB2 LEU A 85 10.130 -0.561 8.713 1.00 0.00 H new ATOM 0 HB3 LEU A 85 9.033 -1.894 9.011 1.00 0.00 H new ATOM 0 HG LEU A 85 11.228 -1.883 6.916 1.00 0.00 H new ATOM 0 HD11 LEU A 85 12.370 -3.470 8.418 1.00 0.00 H new ATOM 0 HD12 LEU A 85 12.138 -1.883 9.189 1.00 0.00 H new ATOM 0 HD13 LEU A 85 11.082 -3.247 9.626 1.00 0.00 H new ATOM 0 HD21 LEU A 85 10.754 -4.295 6.748 1.00 0.00 H new ATOM 0 HD22 LEU A 85 9.403 -4.104 7.891 1.00 0.00 H new ATOM 0 HD23 LEU A 85 9.340 -3.312 6.299 1.00 0.00 H new ATOM 955 N GLU A 86 7.996 1.355 7.968 1.00 0.00 N ATOM 956 CA GLU A 86 7.120 2.342 8.587 1.00 0.00 C ATOM 957 C GLU A 86 5.933 2.661 7.687 1.00 0.00 C ATOM 958 O GLU A 86 4.783 2.621 8.124 1.00 0.00 O ATOM 959 CB GLU A 86 7.894 3.618 8.896 1.00 0.00 C ATOM 960 CG GLU A 86 7.091 4.616 9.709 1.00 0.00 C ATOM 961 CD GLU A 86 6.594 4.034 11.019 1.00 0.00 C ATOM 962 OE1 GLU A 86 7.438 3.623 11.843 1.00 0.00 O ATOM 963 OE2 GLU A 86 5.363 3.991 11.220 1.00 0.00 O ATOM 0 H GLU A 86 8.890 1.728 7.648 1.00 0.00 H new ATOM 0 HA GLU A 86 6.742 1.919 9.518 1.00 0.00 H new ATOM 0 HB2 GLU A 86 8.803 3.362 9.440 1.00 0.00 H new ATOM 0 HB3 GLU A 86 8.203 4.085 7.961 1.00 0.00 H new ATOM 0 HG2 GLU A 86 7.707 5.491 9.915 1.00 0.00 H new ATOM 0 HG3 GLU A 86 6.239 4.957 9.121 1.00 0.00 H new ATOM 970 N ASN A 87 6.219 2.976 6.428 1.00 0.00 N ATOM 971 CA ASN A 87 5.182 3.300 5.466 1.00 0.00 C ATOM 972 C ASN A 87 4.219 2.131 5.296 1.00 0.00 C ATOM 973 O ASN A 87 3.006 2.319 5.217 1.00 0.00 O ATOM 974 CB ASN A 87 5.817 3.660 4.124 1.00 0.00 C ATOM 975 CG ASN A 87 6.813 4.797 4.243 1.00 0.00 C ATOM 976 OD1 ASN A 87 6.468 5.897 4.673 1.00 0.00 O ATOM 977 ND2 ASN A 87 8.057 4.534 3.860 1.00 0.00 N ATOM 0 H ASN A 87 7.167 3.013 6.053 1.00 0.00 H new ATOM 0 HA ASN A 87 4.617 4.155 5.837 1.00 0.00 H new ATOM 0 HB2 ASN A 87 6.318 2.783 3.715 1.00 0.00 H new ATOM 0 HB3 ASN A 87 5.035 3.938 3.418 1.00 0.00 H new ATOM 0 HD21 ASN A 87 8.772 5.259 3.916 1.00 0.00 H new ATOM 0 HD22 ASN A 87 8.298 3.607 3.510 1.00 0.00 H new ATOM 984 N ILE A 88 4.770 0.922 5.245 1.00 0.00 N ATOM 985 CA ILE A 88 3.956 -0.278 5.089 1.00 0.00 C ATOM 986 C ILE A 88 3.071 -0.504 6.309 1.00 0.00 C ATOM 987 O ILE A 88 1.895 -0.841 6.182 1.00 0.00 O ATOM 988 CB ILE A 88 4.828 -1.530 4.862 1.00 0.00 C ATOM 989 CG1 ILE A 88 5.647 -1.386 3.578 1.00 0.00 C ATOM 990 CG2 ILE A 88 3.958 -2.779 4.804 1.00 0.00 C ATOM 991 CD1 ILE A 88 6.582 -2.549 3.321 1.00 0.00 C ATOM 0 H ILE A 88 5.773 0.748 5.309 1.00 0.00 H new ATOM 0 HA ILE A 88 3.329 -0.120 4.211 1.00 0.00 H new ATOM 0 HB ILE A 88 5.518 -1.628 5.700 1.00 0.00 H new ATOM 0 HG12 ILE A 88 4.967 -1.284 2.733 1.00 0.00 H new ATOM 0 HG13 ILE A 88 6.230 -0.467 3.630 1.00 0.00 H new ATOM 0 HG21 ILE A 88 4.588 -3.654 4.643 1.00 0.00 H new ATOM 0 HG22 ILE A 88 3.417 -2.889 5.744 1.00 0.00 H new ATOM 0 HG23 ILE A 88 3.246 -2.689 3.983 1.00 0.00 H new ATOM 0 HD11 ILE A 88 7.130 -2.378 2.394 1.00 0.00 H new ATOM 0 HD12 ILE A 88 7.287 -2.639 4.148 1.00 0.00 H new ATOM 0 HD13 ILE A 88 6.004 -3.469 3.236 1.00 0.00 H new ATOM 1003 N GLY A 89 3.650 -0.324 7.493 1.00 0.00 N ATOM 1004 CA GLY A 89 2.906 -0.520 8.723 1.00 0.00 C ATOM 1005 C GLY A 89 1.719 0.416 8.846 1.00 0.00 C ATOM 1006 O GLY A 89 0.612 -0.020 9.156 1.00 0.00 O ATOM 0 H GLY A 89 4.623 -0.045 7.622 1.00 0.00 H new ATOM 0 HA2 GLY A 89 2.556 -1.551 8.771 1.00 0.00 H new ATOM 0 HA3 GLY A 89 3.572 -0.369 9.573 1.00 0.00 H new ATOM 1010 N ASN A 90 1.951 1.704 8.611 1.00 0.00 N ATOM 1011 CA ASN A 90 0.890 2.705 8.705 1.00 0.00 C ATOM 1012 C ASN A 90 -0.205 2.452 7.673 1.00 0.00 C ATOM 1013 O ASN A 90 -1.393 2.560 7.977 1.00 0.00 O ATOM 1014 CB ASN A 90 1.464 4.110 8.512 1.00 0.00 C ATOM 1015 CG ASN A 90 2.489 4.471 9.564 1.00 0.00 C ATOM 1016 OD1 ASN A 90 3.677 4.856 9.121 1.00 0.00 O flip ATOM 1017 ND2 ASN A 90 2.214 4.415 10.763 1.00 0.00 N flip ATOM 0 H ASN A 90 2.864 2.080 8.354 1.00 0.00 H new ATOM 0 HA ASN A 90 0.450 2.627 9.699 1.00 0.00 H new ATOM 0 HB2 ASN A 90 1.922 4.178 7.525 1.00 0.00 H new ATOM 0 HB3 ASN A 90 0.652 4.837 8.537 1.00 0.00 H new ATOM 0 HD21 ASN A 90 1.286 4.113 11.060 1.00 0.00 H new ATOM 0 HD22 ASN A 90 2.914 4.671 11.459 1.00 0.00 H new ATOM 1024 N PHE A 91 0.203 2.130 6.452 1.00 0.00 N ATOM 1025 CA PHE A 91 -0.740 1.876 5.369 1.00 0.00 C ATOM 1026 C PHE A 91 -1.665 0.703 5.686 1.00 0.00 C ATOM 1027 O PHE A 91 -2.880 0.799 5.520 1.00 0.00 O ATOM 1028 CB PHE A 91 0.020 1.602 4.068 1.00 0.00 C ATOM 1029 CG PHE A 91 -0.867 1.267 2.901 1.00 0.00 C ATOM 1030 CD1 PHE A 91 -1.973 2.048 2.603 1.00 0.00 C ATOM 1031 CD2 PHE A 91 -0.594 0.169 2.101 1.00 0.00 C ATOM 1032 CE1 PHE A 91 -2.789 1.740 1.531 1.00 0.00 C ATOM 1033 CE2 PHE A 91 -1.405 -0.144 1.028 1.00 0.00 C ATOM 1034 CZ PHE A 91 -2.505 0.643 0.743 1.00 0.00 C ATOM 0 H PHE A 91 1.183 2.038 6.186 1.00 0.00 H new ATOM 0 HA PHE A 91 -1.359 2.766 5.253 1.00 0.00 H new ATOM 0 HB2 PHE A 91 0.618 2.478 3.817 1.00 0.00 H new ATOM 0 HB3 PHE A 91 0.715 0.778 4.232 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -2.200 2.908 3.216 1.00 0.00 H new ATOM 0 HD2 PHE A 91 0.264 -0.450 2.319 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -3.648 2.357 1.310 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -1.180 -1.002 0.412 1.00 0.00 H new ATOM 0 HZ PHE A 91 -3.141 0.400 -0.095 1.00 0.00 H new ATOM 1044 N LEU A 92 -1.083 -0.408 6.125 1.00 0.00 N ATOM 1045 CA LEU A 92 -1.859 -1.603 6.443 1.00 0.00 C ATOM 1046 C LEU A 92 -2.731 -1.415 7.679 1.00 0.00 C ATOM 1047 O LEU A 92 -3.919 -1.721 7.652 1.00 0.00 O ATOM 1048 CB LEU A 92 -0.929 -2.798 6.632 1.00 0.00 C ATOM 1049 CG LEU A 92 -0.202 -3.238 5.365 1.00 0.00 C ATOM 1050 CD1 LEU A 92 0.806 -4.332 5.677 1.00 0.00 C ATOM 1051 CD2 LEU A 92 -1.202 -3.713 4.321 1.00 0.00 C ATOM 0 H LEU A 92 -0.078 -0.507 6.269 1.00 0.00 H new ATOM 0 HA LEU A 92 -2.527 -1.789 5.602 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -0.189 -2.550 7.393 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -1.510 -3.638 7.013 1.00 0.00 H new ATOM 0 HG LEU A 92 0.340 -2.382 4.962 1.00 0.00 H new ATOM 0 HD11 LEU A 92 1.313 -4.631 4.760 1.00 0.00 H new ATOM 0 HD12 LEU A 92 1.539 -3.958 6.392 1.00 0.00 H new ATOM 0 HD13 LEU A 92 0.289 -5.192 6.103 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -0.670 -4.024 3.422 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -1.769 -4.556 4.717 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -1.885 -2.900 4.075 1.00 0.00 H new ATOM 1063 N ARG A 93 -2.146 -0.918 8.761 1.00 0.00 N ATOM 1064 CA ARG A 93 -2.901 -0.708 9.993 1.00 0.00 C ATOM 1065 C ARG A 93 -4.099 0.197 9.735 1.00 0.00 C ATOM 1066 O ARG A 93 -5.182 -0.013 10.279 1.00 0.00 O ATOM 1067 CB ARG A 93 -2.012 -0.101 11.078 1.00 0.00 C ATOM 1068 CG ARG A 93 -1.492 1.277 10.740 1.00 0.00 C ATOM 1069 CD ARG A 93 -0.564 1.789 11.824 1.00 0.00 C ATOM 1070 NE ARG A 93 -1.231 1.876 13.120 1.00 0.00 N ATOM 1071 CZ ARG A 93 -0.633 2.295 14.232 1.00 0.00 C ATOM 1072 NH1 ARG A 93 0.641 2.663 14.204 1.00 0.00 N ATOM 1073 NH2 ARG A 93 -1.308 2.345 15.372 1.00 0.00 N ATOM 0 H ARG A 93 -1.162 -0.655 8.813 1.00 0.00 H new ATOM 0 HA ARG A 93 -3.258 -1.678 10.340 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -2.576 -0.048 12.009 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -1.166 -0.765 11.255 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -0.962 1.246 9.788 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -2.328 1.965 10.617 1.00 0.00 H new ATOM 0 HD2 ARG A 93 0.299 1.128 11.904 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -0.187 2.773 11.544 1.00 0.00 H new ATOM 0 HE ARG A 93 -2.211 1.600 13.176 1.00 0.00 H new ATOM 0 HH11 ARG A 93 1.164 2.625 13.329 1.00 0.00 H new ATOM 0 HH12 ARG A 93 1.098 2.984 15.058 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -2.288 2.062 15.398 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -0.848 2.667 16.224 1.00 0.00 H new ATOM 1087 N ALA A 94 -3.887 1.207 8.901 1.00 0.00 N ATOM 1088 CA ALA A 94 -4.935 2.158 8.563 1.00 0.00 C ATOM 1089 C ALA A 94 -6.053 1.507 7.751 1.00 0.00 C ATOM 1090 O ALA A 94 -7.228 1.730 8.027 1.00 0.00 O ATOM 1091 CB ALA A 94 -4.349 3.336 7.799 1.00 0.00 C ATOM 0 H ALA A 94 -2.993 1.388 8.445 1.00 0.00 H new ATOM 0 HA ALA A 94 -5.370 2.514 9.497 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -5.143 4.041 7.552 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -3.601 3.834 8.416 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -3.882 2.978 6.881 1.00 0.00 H new ATOM 1097 N ILE A 95 -5.685 0.719 6.743 1.00 0.00 N ATOM 1098 CA ILE A 95 -6.673 0.059 5.888 1.00 0.00 C ATOM 1099 C ILE A 95 -7.396 -1.073 6.618 1.00 0.00 C ATOM 1100 O ILE A 95 -8.600 -1.262 6.444 1.00 0.00 O ATOM 1101 CB ILE A 95 -6.042 -0.492 4.590 1.00 0.00 C ATOM 1102 CG1 ILE A 95 -5.054 -1.624 4.894 1.00 0.00 C ATOM 1103 CG2 ILE A 95 -5.356 0.629 3.822 1.00 0.00 C ATOM 1104 CD1 ILE A 95 -4.467 -2.264 3.654 1.00 0.00 C ATOM 0 H ILE A 95 -4.715 0.522 6.498 1.00 0.00 H new ATOM 0 HA ILE A 95 -7.399 0.828 5.625 1.00 0.00 H new ATOM 0 HB ILE A 95 -6.839 -0.904 3.970 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -4.244 -1.233 5.509 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -5.560 -2.389 5.483 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -4.915 0.228 2.909 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -6.088 1.395 3.565 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -4.573 1.068 4.441 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -3.777 -3.056 3.945 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -5.269 -2.686 3.048 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -3.932 -1.512 3.075 1.00 0.00 H new ATOM 1116 N LYS A 96 -6.658 -1.823 7.430 1.00 0.00 N ATOM 1117 CA LYS A 96 -7.229 -2.931 8.182 1.00 0.00 C ATOM 1118 C LYS A 96 -8.370 -2.447 9.070 1.00 0.00 C ATOM 1119 O LYS A 96 -9.405 -3.103 9.186 1.00 0.00 O ATOM 1120 CB LYS A 96 -6.147 -3.604 9.033 1.00 0.00 C ATOM 1121 CG LYS A 96 -5.092 -4.343 8.224 1.00 0.00 C ATOM 1122 CD LYS A 96 -4.035 -4.980 9.120 1.00 0.00 C ATOM 1123 CE LYS A 96 -4.641 -6.028 10.041 1.00 0.00 C ATOM 1124 NZ LYS A 96 -3.615 -6.652 10.922 1.00 0.00 N ATOM 0 H LYS A 96 -5.660 -1.681 7.583 1.00 0.00 H new ATOM 0 HA LYS A 96 -7.627 -3.659 7.475 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -5.656 -2.846 9.644 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -6.623 -4.306 9.718 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -5.571 -5.115 7.621 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -4.613 -3.650 7.532 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -3.263 -5.440 8.503 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -3.549 -4.208 9.716 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -5.415 -5.568 10.655 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -5.125 -6.801 9.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -4.068 -7.360 11.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -2.889 -7.113 10.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -3.171 -5.919 11.511 1.00 0.00 H new ATOM 1138 N HIS A 97 -8.169 -1.290 9.688 1.00 0.00 N ATOM 1139 CA HIS A 97 -9.171 -0.697 10.565 1.00 0.00 C ATOM 1140 C HIS A 97 -10.164 0.131 9.760 1.00 0.00 C ATOM 1141 O HIS A 97 -11.346 0.206 10.096 1.00 0.00 O ATOM 1142 CB HIS A 97 -8.496 0.183 11.616 1.00 0.00 C ATOM 1143 CG HIS A 97 -9.447 0.749 12.626 1.00 0.00 C ATOM 1144 ND1 HIS A 97 -10.225 -0.036 13.451 1.00 0.00 N ATOM 1145 CD2 HIS A 97 -9.743 2.033 12.942 1.00 0.00 C ATOM 1146 CE1 HIS A 97 -10.958 0.739 14.230 1.00 0.00 C ATOM 1147 NE2 HIS A 97 -10.684 1.998 13.942 1.00 0.00 N ATOM 0 H HIS A 97 -7.315 -0.740 9.597 1.00 0.00 H new ATOM 0 HA HIS A 97 -9.710 -1.502 11.065 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -7.736 -0.402 12.133 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -7.981 1.003 11.115 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -9.319 2.918 12.492 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -11.662 0.400 14.976 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -11.103 2.813 14.390 1.00 0.00 H new ATOM 1156 N TYR A 98 -9.664 0.760 8.702 1.00 0.00 N ATOM 1157 CA TYR A 98 -10.492 1.602 7.842 1.00 0.00 C ATOM 1158 C TYR A 98 -11.746 0.860 7.392 1.00 0.00 C ATOM 1159 O TYR A 98 -12.844 1.419 7.403 1.00 0.00 O ATOM 1160 CB TYR A 98 -9.697 2.060 6.617 1.00 0.00 C ATOM 1161 CG TYR A 98 -10.436 3.046 5.738 1.00 0.00 C ATOM 1162 CD1 TYR A 98 -10.959 4.220 6.265 1.00 0.00 C ATOM 1163 CD2 TYR A 98 -10.605 2.803 4.381 1.00 0.00 C ATOM 1164 CE1 TYR A 98 -11.631 5.124 5.465 1.00 0.00 C ATOM 1165 CE2 TYR A 98 -11.276 3.702 3.574 1.00 0.00 C ATOM 1166 CZ TYR A 98 -11.787 4.860 4.120 1.00 0.00 C ATOM 1167 OH TYR A 98 -12.455 5.757 3.320 1.00 0.00 O ATOM 0 H TYR A 98 -8.686 0.703 8.418 1.00 0.00 H new ATOM 0 HA TYR A 98 -10.794 2.475 8.421 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -8.764 2.514 6.951 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -9.431 1.187 6.022 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -10.838 4.430 7.318 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -10.206 1.897 3.950 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -12.032 6.032 5.890 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -11.399 3.498 2.521 1.00 0.00 H new ATOM 0 HH TYR A 98 -12.476 5.422 2.399 1.00 0.00 H new ATOM 1177 N GLY A 99 -11.577 -0.396 6.997 1.00 0.00 N ATOM 1178 CA GLY A 99 -12.711 -1.184 6.550 1.00 0.00 C ATOM 1179 C GLY A 99 -12.309 -2.532 5.986 1.00 0.00 C ATOM 1180 O GLY A 99 -12.932 -3.548 6.291 1.00 0.00 O ATOM 0 H GLY A 99 -10.680 -0.881 6.978 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -13.394 -1.335 7.386 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -13.257 -0.626 5.789 1.00 0.00 H new ATOM 1184 N VAL A 100 -11.272 -2.541 5.154 1.00 0.00 N ATOM 1185 CA VAL A 100 -10.800 -3.775 4.542 1.00 0.00 C ATOM 1186 C VAL A 100 -10.416 -4.798 5.608 1.00 0.00 C ATOM 1187 O VAL A 100 -9.645 -4.500 6.519 1.00 0.00 O ATOM 1188 CB VAL A 100 -9.590 -3.524 3.621 1.00 0.00 C ATOM 1189 CG1 VAL A 100 -9.261 -4.778 2.826 1.00 0.00 C ATOM 1190 CG2 VAL A 100 -9.864 -2.357 2.685 1.00 0.00 C ATOM 0 H VAL A 100 -10.745 -1.709 4.890 1.00 0.00 H new ATOM 0 HA VAL A 100 -11.621 -4.167 3.942 1.00 0.00 H new ATOM 0 HB VAL A 100 -8.730 -3.271 4.242 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -8.404 -4.585 2.180 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -9.023 -5.591 3.511 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -10.120 -5.058 2.216 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -8.999 -2.195 2.043 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -10.736 -2.581 2.070 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -10.055 -1.458 3.271 1.00 0.00 H new ATOM 1200 N LYS A 101 -10.966 -6.003 5.487 1.00 0.00 N ATOM 1201 CA LYS A 101 -10.687 -7.072 6.440 1.00 0.00 C ATOM 1202 C LYS A 101 -9.240 -7.544 6.329 1.00 0.00 C ATOM 1203 O LYS A 101 -8.703 -7.668 5.229 1.00 0.00 O ATOM 1204 CB LYS A 101 -11.638 -8.248 6.209 1.00 0.00 C ATOM 1205 CG LYS A 101 -13.106 -7.884 6.360 1.00 0.00 C ATOM 1206 CD LYS A 101 -14.007 -9.083 6.114 1.00 0.00 C ATOM 1207 CE LYS A 101 -15.474 -8.719 6.266 1.00 0.00 C ATOM 1208 NZ LYS A 101 -15.785 -8.215 7.632 1.00 0.00 N ATOM 0 H LYS A 101 -11.608 -6.263 4.738 1.00 0.00 H new ATOM 0 HA LYS A 101 -10.842 -6.677 7.444 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -11.473 -8.647 5.208 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -11.396 -9.044 6.913 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -13.284 -7.494 7.362 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -13.358 -7.088 5.659 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -13.830 -9.473 5.112 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -13.754 -9.879 6.815 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -15.737 -7.959 5.531 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -16.088 -9.594 6.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -16.641 -8.685 7.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -14.987 -8.419 8.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -15.944 -7.188 7.595 1.00 0.00 H new ATOM 1222 N PRO A 102 -8.586 -7.818 7.474 1.00 0.00 N ATOM 1223 CA PRO A 102 -7.194 -8.283 7.498 1.00 0.00 C ATOM 1224 C PRO A 102 -6.986 -9.515 6.625 1.00 0.00 C ATOM 1225 O PRO A 102 -5.965 -9.643 5.949 1.00 0.00 O ATOM 1226 CB PRO A 102 -6.954 -8.625 8.971 1.00 0.00 C ATOM 1227 CG PRO A 102 -7.950 -7.808 9.720 1.00 0.00 C ATOM 1228 CD PRO A 102 -9.151 -7.697 8.831 1.00 0.00 C ATOM 0 HA PRO A 102 -6.507 -7.533 7.107 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -7.095 -9.690 9.158 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -5.935 -8.381 9.273 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -8.209 -8.281 10.667 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -7.547 -6.823 9.956 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -9.876 -8.485 9.036 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -9.666 -6.746 8.968 1.00 0.00 H new ATOM 1236 N HIS A 103 -7.965 -10.415 6.642 1.00 0.00 N ATOM 1237 CA HIS A 103 -7.901 -11.638 5.849 1.00 0.00 C ATOM 1238 C HIS A 103 -7.703 -11.313 4.372 1.00 0.00 C ATOM 1239 O HIS A 103 -7.152 -12.115 3.616 1.00 0.00 O ATOM 1240 CB HIS A 103 -9.178 -12.462 6.036 1.00 0.00 C ATOM 1241 CG HIS A 103 -9.413 -12.903 7.449 1.00 0.00 C ATOM 1242 ND1 HIS A 103 -10.514 -13.640 7.832 1.00 0.00 N ATOM 1243 CD2 HIS A 103 -8.682 -12.712 8.575 1.00 0.00 C ATOM 1244 CE1 HIS A 103 -10.452 -13.882 9.130 1.00 0.00 C ATOM 1245 NE2 HIS A 103 -9.351 -13.330 9.603 1.00 0.00 N ATOM 0 H HIS A 103 -8.815 -10.319 7.198 1.00 0.00 H new ATOM 0 HA HIS A 103 -7.048 -12.223 6.194 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -10.032 -11.872 5.703 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -9.129 -13.342 5.394 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -7.748 -12.174 8.650 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -11.179 -14.437 9.705 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -9.046 -13.358 10.576 1.00 0.00 H new ATOM 1254 N ASP A 104 -8.149 -10.127 3.973 1.00 0.00 N ATOM 1255 CA ASP A 104 -8.020 -9.678 2.597 1.00 0.00 C ATOM 1256 C ASP A 104 -7.006 -8.549 2.523 1.00 0.00 C ATOM 1257 O ASP A 104 -7.173 -7.589 1.771 1.00 0.00 O ATOM 1258 CB ASP A 104 -9.373 -9.205 2.064 1.00 0.00 C ATOM 1259 CG ASP A 104 -10.398 -10.322 2.003 1.00 0.00 C ATOM 1260 OD1 ASP A 104 -10.054 -11.465 2.372 1.00 0.00 O ATOM 1261 OD2 ASP A 104 -11.544 -10.053 1.587 1.00 0.00 O ATOM 0 H ASP A 104 -8.606 -9.456 4.591 1.00 0.00 H new ATOM 0 HA ASP A 104 -7.677 -10.510 1.982 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -9.751 -8.405 2.700 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -9.240 -8.784 1.067 1.00 0.00 H new ATOM 1266 N ILE A 105 -5.961 -8.674 3.330 1.00 0.00 N ATOM 1267 CA ILE A 105 -4.914 -7.668 3.390 1.00 0.00 C ATOM 1268 C ILE A 105 -3.556 -8.301 3.662 1.00 0.00 C ATOM 1269 O ILE A 105 -3.403 -9.092 4.595 1.00 0.00 O ATOM 1270 CB ILE A 105 -5.207 -6.639 4.500 1.00 0.00 C ATOM 1271 CG1 ILE A 105 -6.483 -5.858 4.187 1.00 0.00 C ATOM 1272 CG2 ILE A 105 -4.032 -5.695 4.672 1.00 0.00 C ATOM 1273 CD1 ILE A 105 -6.855 -4.850 5.253 1.00 0.00 C ATOM 0 H ILE A 105 -5.817 -9.467 3.955 1.00 0.00 H new ATOM 0 HA ILE A 105 -4.893 -7.170 2.421 1.00 0.00 H new ATOM 0 HB ILE A 105 -5.357 -7.177 5.436 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -6.357 -5.339 3.237 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -7.307 -6.560 4.060 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -4.256 -4.975 5.459 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -3.144 -6.265 4.943 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -3.851 -5.165 3.737 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -7.770 -4.334 4.963 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -7.014 -5.364 6.201 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -6.049 -4.124 5.364 1.00 0.00 H new ATOM 1285 N PHE A 106 -2.566 -7.936 2.855 1.00 0.00 N ATOM 1286 CA PHE A 106 -1.219 -8.457 3.023 1.00 0.00 C ATOM 1287 C PHE A 106 -0.580 -7.854 4.259 1.00 0.00 C ATOM 1288 O PHE A 106 -0.780 -6.678 4.561 1.00 0.00 O ATOM 1289 CB PHE A 106 -0.365 -8.160 1.790 1.00 0.00 C ATOM 1290 CG PHE A 106 -0.197 -6.693 1.500 1.00 0.00 C ATOM 1291 CD1 PHE A 106 0.788 -5.955 2.137 1.00 0.00 C ATOM 1292 CD2 PHE A 106 -1.015 -6.055 0.580 1.00 0.00 C ATOM 1293 CE1 PHE A 106 0.951 -4.610 1.866 1.00 0.00 C ATOM 1294 CE2 PHE A 106 -0.856 -4.710 0.305 1.00 0.00 C ATOM 1295 CZ PHE A 106 0.128 -3.986 0.949 1.00 0.00 C ATOM 0 H PHE A 106 -2.673 -7.282 2.080 1.00 0.00 H new ATOM 0 HA PHE A 106 -1.280 -9.538 3.145 1.00 0.00 H new ATOM 0 HB2 PHE A 106 0.619 -8.608 1.926 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -0.817 -8.642 0.923 1.00 0.00 H new ATOM 0 HD1 PHE A 106 1.436 -6.437 2.854 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -1.786 -6.616 0.072 1.00 0.00 H new ATOM 0 HE1 PHE A 106 1.722 -4.047 2.371 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -1.501 -4.225 -0.413 1.00 0.00 H new ATOM 0 HZ PHE A 106 0.254 -2.935 0.736 1.00 0.00 H new ATOM 1305 N GLU A 107 0.184 -8.658 4.975 1.00 0.00 N ATOM 1306 CA GLU A 107 0.842 -8.191 6.171 1.00 0.00 C ATOM 1307 C GLU A 107 2.157 -7.509 5.819 1.00 0.00 C ATOM 1308 O GLU A 107 2.759 -7.798 4.784 1.00 0.00 O ATOM 1309 CB GLU A 107 1.081 -9.348 7.131 1.00 0.00 C ATOM 1310 CG GLU A 107 1.343 -8.888 8.534 1.00 0.00 C ATOM 1311 CD GLU A 107 1.707 -10.021 9.472 1.00 0.00 C ATOM 1312 OE1 GLU A 107 0.889 -10.952 9.624 1.00 0.00 O ATOM 1313 OE2 GLU A 107 2.810 -9.978 10.056 1.00 0.00 O ATOM 0 H GLU A 107 0.361 -9.636 4.746 1.00 0.00 H new ATOM 0 HA GLU A 107 0.196 -7.464 6.662 1.00 0.00 H new ATOM 0 HB2 GLU A 107 0.212 -10.006 7.125 1.00 0.00 H new ATOM 0 HB3 GLU A 107 1.929 -9.936 6.781 1.00 0.00 H new ATOM 0 HG2 GLU A 107 2.152 -8.157 8.525 1.00 0.00 H new ATOM 0 HG3 GLU A 107 0.457 -8.379 8.915 1.00 0.00 H new ATOM 1320 N ALA A 108 2.589 -6.596 6.678 1.00 0.00 N ATOM 1321 CA ALA A 108 3.825 -5.856 6.459 1.00 0.00 C ATOM 1322 C ALA A 108 4.975 -6.781 6.066 1.00 0.00 C ATOM 1323 O ALA A 108 5.758 -6.465 5.170 1.00 0.00 O ATOM 1324 CB ALA A 108 4.184 -5.070 7.709 1.00 0.00 C ATOM 0 H ALA A 108 2.099 -6.349 7.538 1.00 0.00 H new ATOM 0 HA ALA A 108 3.662 -5.166 5.631 1.00 0.00 H new ATOM 0 HB1 ALA A 108 5.109 -4.519 7.539 1.00 0.00 H new ATOM 0 HB2 ALA A 108 3.382 -4.370 7.941 1.00 0.00 H new ATOM 0 HB3 ALA A 108 4.319 -5.757 8.544 1.00 0.00 H new ATOM 1330 N ASN A 109 5.076 -7.917 6.745 1.00 0.00 N ATOM 1331 CA ASN A 109 6.131 -8.880 6.476 1.00 0.00 C ATOM 1332 C ASN A 109 5.971 -9.531 5.103 1.00 0.00 C ATOM 1333 O ASN A 109 6.958 -9.797 4.421 1.00 0.00 O ATOM 1334 CB ASN A 109 6.141 -9.951 7.563 1.00 0.00 C ATOM 1335 CG ASN A 109 6.475 -9.386 8.930 1.00 0.00 C ATOM 1336 OD1 ASN A 109 7.535 -8.794 9.128 1.00 0.00 O ATOM 1337 ND2 ASN A 109 5.569 -9.569 9.883 1.00 0.00 N ATOM 0 H ASN A 109 4.435 -8.193 7.489 1.00 0.00 H new ATOM 0 HA ASN A 109 7.080 -8.344 6.477 1.00 0.00 H new ATOM 0 HB2 ASN A 109 5.165 -10.434 7.602 1.00 0.00 H new ATOM 0 HB3 ASN A 109 6.868 -10.721 7.304 1.00 0.00 H new ATOM 0 HD21 ASN A 109 5.739 -9.213 10.823 1.00 0.00 H new ATOM 0 HD22 ASN A 109 4.703 -10.066 9.675 1.00 0.00 H new ATOM 1344 N ASP A 110 4.730 -9.803 4.707 1.00 0.00 N ATOM 1345 CA ASP A 110 4.467 -10.440 3.419 1.00 0.00 C ATOM 1346 C ASP A 110 4.982 -9.596 2.255 1.00 0.00 C ATOM 1347 O ASP A 110 5.700 -10.095 1.391 1.00 0.00 O ATOM 1348 CB ASP A 110 2.971 -10.710 3.245 1.00 0.00 C ATOM 1349 CG ASP A 110 2.429 -11.659 4.295 1.00 0.00 C ATOM 1350 OD1 ASP A 110 2.981 -12.771 4.431 1.00 0.00 O ATOM 1351 OD2 ASP A 110 1.449 -11.295 4.976 1.00 0.00 O ATOM 0 H ASP A 110 3.896 -9.594 5.255 1.00 0.00 H new ATOM 0 HA ASP A 110 5.005 -11.388 3.412 1.00 0.00 H new ATOM 0 HB2 ASP A 110 2.426 -9.767 3.295 1.00 0.00 H new ATOM 0 HB3 ASP A 110 2.793 -11.128 2.254 1.00 0.00 H new ATOM 1356 N LEU A 111 4.611 -8.319 2.231 1.00 0.00 N ATOM 1357 CA LEU A 111 5.042 -7.423 1.161 1.00 0.00 C ATOM 1358 C LEU A 111 6.542 -7.153 1.239 1.00 0.00 C ATOM 1359 O LEU A 111 7.248 -7.243 0.235 1.00 0.00 O ATOM 1360 CB LEU A 111 4.272 -6.101 1.219 1.00 0.00 C ATOM 1361 CG LEU A 111 4.668 -5.068 0.156 1.00 0.00 C ATOM 1362 CD1 LEU A 111 4.344 -5.581 -1.240 1.00 0.00 C ATOM 1363 CD2 LEU A 111 3.965 -3.743 0.406 1.00 0.00 C ATOM 0 H LEU A 111 4.016 -7.883 2.936 1.00 0.00 H new ATOM 0 HA LEU A 111 4.829 -7.916 0.213 1.00 0.00 H new ATOM 0 HB2 LEU A 111 3.208 -6.314 1.117 1.00 0.00 H new ATOM 0 HB3 LEU A 111 4.416 -5.658 2.205 1.00 0.00 H new ATOM 0 HG LEU A 111 5.744 -4.908 0.225 1.00 0.00 H new ATOM 0 HD11 LEU A 111 4.633 -4.833 -1.979 1.00 0.00 H new ATOM 0 HD12 LEU A 111 4.893 -6.504 -1.425 1.00 0.00 H new ATOM 0 HD13 LEU A 111 3.274 -5.773 -1.318 1.00 0.00 H new ATOM 0 HD21 LEU A 111 4.260 -3.025 -0.359 1.00 0.00 H new ATOM 0 HD22 LEU A 111 2.886 -3.891 0.368 1.00 0.00 H new ATOM 0 HD23 LEU A 111 4.245 -3.362 1.388 1.00 0.00 H new ATOM 1375 N PHE A 112 7.022 -6.819 2.433 1.00 0.00 N ATOM 1376 CA PHE A 112 8.440 -6.529 2.636 1.00 0.00 C ATOM 1377 C PHE A 112 9.311 -7.709 2.213 1.00 0.00 C ATOM 1378 O PHE A 112 10.236 -7.554 1.417 1.00 0.00 O ATOM 1379 CB PHE A 112 8.707 -6.188 4.104 1.00 0.00 C ATOM 1380 CG PHE A 112 10.139 -5.829 4.390 1.00 0.00 C ATOM 1381 CD1 PHE A 112 10.787 -4.851 3.648 1.00 0.00 C ATOM 1382 CD2 PHE A 112 10.838 -6.471 5.398 1.00 0.00 C ATOM 1383 CE1 PHE A 112 12.103 -4.522 3.909 1.00 0.00 C ATOM 1384 CE2 PHE A 112 12.155 -6.146 5.664 1.00 0.00 C ATOM 1385 CZ PHE A 112 12.788 -5.171 4.919 1.00 0.00 C ATOM 0 H PHE A 112 6.451 -6.742 3.275 1.00 0.00 H new ATOM 0 HA PHE A 112 8.698 -5.672 2.014 1.00 0.00 H new ATOM 0 HB2 PHE A 112 8.067 -5.355 4.397 1.00 0.00 H new ATOM 0 HB3 PHE A 112 8.425 -7.040 4.723 1.00 0.00 H new ATOM 0 HD1 PHE A 112 10.256 -4.341 2.857 1.00 0.00 H new ATOM 0 HD2 PHE A 112 10.348 -7.235 5.984 1.00 0.00 H new ATOM 0 HE1 PHE A 112 12.596 -3.759 3.325 1.00 0.00 H new ATOM 0 HE2 PHE A 112 12.688 -6.654 6.454 1.00 0.00 H new ATOM 0 HZ PHE A 112 13.817 -4.916 5.125 1.00 0.00 H new ATOM 1395 N GLU A 113 9.006 -8.887 2.746 1.00 0.00 N ATOM 1396 CA GLU A 113 9.757 -10.092 2.417 1.00 0.00 C ATOM 1397 C GLU A 113 9.392 -10.585 1.023 1.00 0.00 C ATOM 1398 O GLU A 113 10.077 -11.433 0.452 1.00 0.00 O ATOM 1399 CB GLU A 113 9.489 -11.186 3.449 1.00 0.00 C ATOM 1400 CG GLU A 113 9.961 -10.826 4.846 1.00 0.00 C ATOM 1401 CD GLU A 113 11.451 -10.551 4.906 1.00 0.00 C ATOM 1402 OE1 GLU A 113 12.238 -11.461 4.570 1.00 0.00 O ATOM 1403 OE2 GLU A 113 11.832 -9.424 5.290 1.00 0.00 O ATOM 0 H GLU A 113 8.244 -9.033 3.408 1.00 0.00 H new ATOM 0 HA GLU A 113 10.819 -9.849 2.433 1.00 0.00 H new ATOM 0 HB2 GLU A 113 8.419 -11.394 3.477 1.00 0.00 H new ATOM 0 HB3 GLU A 113 9.984 -12.104 3.132 1.00 0.00 H new ATOM 0 HG2 GLU A 113 9.419 -9.946 5.193 1.00 0.00 H new ATOM 0 HG3 GLU A 113 9.718 -11.640 5.529 1.00 0.00 H new ATOM 1410 N ASN A 114 8.296 -10.050 0.493 1.00 0.00 N ATOM 1411 CA ASN A 114 7.813 -10.429 -0.828 1.00 0.00 C ATOM 1412 C ASN A 114 7.420 -11.903 -0.845 1.00 0.00 C ATOM 1413 O ASN A 114 7.525 -12.578 -1.869 1.00 0.00 O ATOM 1414 CB ASN A 114 8.880 -10.147 -1.891 1.00 0.00 C ATOM 1415 CG ASN A 114 8.385 -10.407 -3.300 1.00 0.00 C ATOM 1416 OD1 ASN A 114 7.420 -9.793 -3.755 1.00 0.00 O ATOM 1417 ND2 ASN A 114 9.045 -11.322 -4.000 1.00 0.00 N ATOM 0 H ASN A 114 7.724 -9.349 0.963 1.00 0.00 H new ATOM 0 HA ASN A 114 6.931 -9.831 -1.059 1.00 0.00 H new ATOM 0 HB2 ASN A 114 9.203 -9.109 -1.809 1.00 0.00 H new ATOM 0 HB3 ASN A 114 9.754 -10.769 -1.697 1.00 0.00 H new ATOM 0 HD21 ASN A 114 8.757 -11.540 -4.954 1.00 0.00 H new ATOM 0 HD22 ASN A 114 9.840 -11.807 -3.584 1.00 0.00 H new ATOM 1424 N THR A 115 6.962 -12.394 0.303 1.00 0.00 N ATOM 1425 CA THR A 115 6.545 -13.786 0.424 1.00 0.00 C ATOM 1426 C THR A 115 5.219 -14.018 -0.289 1.00 0.00 C ATOM 1427 O THR A 115 5.119 -14.862 -1.180 1.00 0.00 O ATOM 1428 CB THR A 115 6.406 -14.208 1.898 1.00 0.00 C ATOM 1429 OG1 THR A 115 5.443 -13.377 2.558 1.00 0.00 O ATOM 1430 CG2 THR A 115 7.743 -14.111 2.617 1.00 0.00 C ATOM 0 H THR A 115 6.871 -11.849 1.161 1.00 0.00 H new ATOM 0 HA THR A 115 7.321 -14.393 -0.043 1.00 0.00 H new ATOM 0 HB THR A 115 6.070 -15.245 1.925 1.00 0.00 H new ATOM 0 HG1 THR A 115 4.557 -13.791 2.496 1.00 0.00 H new ATOM 0 HG21 THR A 115 7.620 -14.414 3.657 1.00 0.00 H new ATOM 0 HG22 THR A 115 8.466 -14.766 2.131 1.00 0.00 H new ATOM 0 HG23 THR A 115 8.103 -13.083 2.579 1.00 0.00 H new ATOM 1438 N ASN A 116 4.202 -13.257 0.106 1.00 0.00 N ATOM 1439 CA ASN A 116 2.881 -13.371 -0.499 1.00 0.00 C ATOM 1440 C ASN A 116 2.746 -12.424 -1.687 1.00 0.00 C ATOM 1441 O ASN A 116 2.926 -11.214 -1.549 1.00 0.00 O ATOM 1442 CB ASN A 116 1.793 -13.076 0.538 1.00 0.00 C ATOM 1443 CG ASN A 116 1.764 -14.108 1.649 1.00 0.00 C ATOM 1444 OD1 ASN A 116 2.759 -14.320 2.341 1.00 0.00 O ATOM 1445 ND2 ASN A 116 0.618 -14.757 1.824 1.00 0.00 N ATOM 0 H ASN A 116 4.269 -12.555 0.843 1.00 0.00 H new ATOM 0 HA ASN A 116 2.758 -14.393 -0.858 1.00 0.00 H new ATOM 0 HB2 ASN A 116 1.961 -12.088 0.967 1.00 0.00 H new ATOM 0 HB3 ASN A 116 0.821 -13.049 0.045 1.00 0.00 H new ATOM 0 HD21 ASN A 116 0.538 -15.463 2.556 1.00 0.00 H new ATOM 0 HD22 ASN A 116 -0.182 -14.549 1.227 1.00 0.00 H new ATOM 1452 N HIS A 117 2.424 -12.980 -2.851 1.00 0.00 N ATOM 1453 CA HIS A 117 2.262 -12.178 -4.059 1.00 0.00 C ATOM 1454 C HIS A 117 0.785 -11.928 -4.347 1.00 0.00 C ATOM 1455 O HIS A 117 0.370 -10.792 -4.575 1.00 0.00 O ATOM 1456 CB HIS A 117 2.917 -12.874 -5.256 1.00 0.00 C ATOM 1457 CG HIS A 117 4.389 -13.101 -5.096 1.00 0.00 C ATOM 1458 ND1 HIS A 117 5.161 -13.726 -6.053 1.00 0.00 N ATOM 1459 CD2 HIS A 117 5.234 -12.782 -4.086 1.00 0.00 C ATOM 1460 CE1 HIS A 117 6.414 -13.782 -5.640 1.00 0.00 C ATOM 1461 NE2 HIS A 117 6.485 -13.215 -4.450 1.00 0.00 N ATOM 0 H HIS A 117 2.270 -13.980 -2.983 1.00 0.00 H new ATOM 0 HA HIS A 117 2.753 -11.218 -3.896 1.00 0.00 H new ATOM 0 HB2 HIS A 117 2.427 -13.834 -5.418 1.00 0.00 H new ATOM 0 HB3 HIS A 117 2.747 -12.274 -6.150 1.00 0.00 H new ATOM 0 HD2 HIS A 117 4.972 -12.281 -3.166 1.00 0.00 H new ATOM 0 HE1 HIS A 117 7.240 -14.217 -6.183 1.00 0.00 H new ATOM 0 HE2 HIS A 117 7.332 -13.115 -3.891 1.00 0.00 H new ATOM 1470 N THR A 118 -0.002 -12.999 -4.332 1.00 0.00 N ATOM 1471 CA THR A 118 -1.433 -12.902 -4.589 1.00 0.00 C ATOM 1472 C THR A 118 -2.129 -12.099 -3.494 1.00 0.00 C ATOM 1473 O THR A 118 -3.013 -11.289 -3.770 1.00 0.00 O ATOM 1474 CB THR A 118 -2.083 -14.296 -4.682 1.00 0.00 C ATOM 1475 OG1 THR A 118 -1.460 -15.057 -5.723 1.00 0.00 O ATOM 1476 CG2 THR A 118 -3.575 -14.184 -4.956 1.00 0.00 C ATOM 0 H THR A 118 0.329 -13.945 -4.144 1.00 0.00 H new ATOM 0 HA THR A 118 -1.552 -12.392 -5.545 1.00 0.00 H new ATOM 0 HB THR A 118 -1.943 -14.801 -3.726 1.00 0.00 H new ATOM 0 HG1 THR A 118 -1.877 -15.942 -5.775 1.00 0.00 H new ATOM 0 HG21 THR A 118 -4.010 -15.182 -5.017 1.00 0.00 H new ATOM 0 HG22 THR A 118 -4.053 -13.629 -4.149 1.00 0.00 H new ATOM 0 HG23 THR A 118 -3.733 -13.661 -5.899 1.00 0.00 H new ATOM 1484 N GLN A 119 -1.723 -12.335 -2.250 1.00 0.00 N ATOM 1485 CA GLN A 119 -2.301 -11.642 -1.107 1.00 0.00 C ATOM 1486 C GLN A 119 -2.134 -10.131 -1.238 1.00 0.00 C ATOM 1487 O GLN A 119 -3.023 -9.364 -0.866 1.00 0.00 O ATOM 1488 CB GLN A 119 -1.646 -12.130 0.186 1.00 0.00 C ATOM 1489 CG GLN A 119 -2.204 -11.477 1.437 1.00 0.00 C ATOM 1490 CD GLN A 119 -3.684 -11.745 1.627 1.00 0.00 C ATOM 1491 OE1 GLN A 119 -4.108 -12.893 1.748 1.00 0.00 O ATOM 1492 NE2 GLN A 119 -4.480 -10.681 1.654 1.00 0.00 N ATOM 0 H GLN A 119 -0.992 -13.005 -2.009 1.00 0.00 H new ATOM 0 HA GLN A 119 -3.368 -11.865 -1.078 1.00 0.00 H new ATOM 0 HB2 GLN A 119 -1.774 -13.210 0.263 1.00 0.00 H new ATOM 0 HB3 GLN A 119 -0.574 -11.939 0.134 1.00 0.00 H new ATOM 0 HG2 GLN A 119 -1.658 -11.843 2.307 1.00 0.00 H new ATOM 0 HG3 GLN A 119 -2.038 -10.401 1.385 1.00 0.00 H new ATOM 0 HE21 GLN A 119 -4.086 -9.746 1.550 1.00 0.00 H new ATOM 0 HE22 GLN A 119 -5.485 -10.799 1.779 1.00 0.00 H new ATOM 1501 N VAL A 120 -0.988 -9.707 -1.760 1.00 0.00 N ATOM 1502 CA VAL A 120 -0.707 -8.286 -1.931 1.00 0.00 C ATOM 1503 C VAL A 120 -1.717 -7.624 -2.867 1.00 0.00 C ATOM 1504 O VAL A 120 -2.334 -6.622 -2.510 1.00 0.00 O ATOM 1505 CB VAL A 120 0.722 -8.055 -2.465 1.00 0.00 C ATOM 1506 CG1 VAL A 120 0.924 -6.604 -2.885 1.00 0.00 C ATOM 1507 CG2 VAL A 120 1.753 -8.462 -1.423 1.00 0.00 C ATOM 0 H VAL A 120 -0.240 -10.326 -2.072 1.00 0.00 H new ATOM 0 HA VAL A 120 -0.792 -7.828 -0.946 1.00 0.00 H new ATOM 0 HB VAL A 120 0.857 -8.680 -3.348 1.00 0.00 H new ATOM 0 HG11 VAL A 120 1.940 -6.471 -3.257 1.00 0.00 H new ATOM 0 HG12 VAL A 120 0.213 -6.351 -3.672 1.00 0.00 H new ATOM 0 HG13 VAL A 120 0.763 -5.951 -2.027 1.00 0.00 H new ATOM 0 HG21 VAL A 120 2.755 -8.292 -1.817 1.00 0.00 H new ATOM 0 HG22 VAL A 120 1.612 -7.867 -0.520 1.00 0.00 H new ATOM 0 HG23 VAL A 120 1.631 -9.519 -1.184 1.00 0.00 H new ATOM 1517 N GLN A 121 -1.879 -8.185 -4.062 1.00 0.00 N ATOM 1518 CA GLN A 121 -2.813 -7.639 -5.047 1.00 0.00 C ATOM 1519 C GLN A 121 -4.257 -7.712 -4.561 1.00 0.00 C ATOM 1520 O GLN A 121 -5.023 -6.761 -4.727 1.00 0.00 O ATOM 1521 CB GLN A 121 -2.674 -8.379 -6.377 1.00 0.00 C ATOM 1522 CG GLN A 121 -1.355 -8.115 -7.085 1.00 0.00 C ATOM 1523 CD GLN A 121 -1.175 -8.949 -8.342 1.00 0.00 C ATOM 1524 OE1 GLN A 121 -2.161 -9.783 -8.656 1.00 0.00 O flip ATOM 1525 NE2 GLN A 121 -0.157 -8.843 -9.025 1.00 0.00 N flip ATOM 0 H GLN A 121 -1.377 -9.017 -4.373 1.00 0.00 H new ATOM 0 HA GLN A 121 -2.561 -6.588 -5.188 1.00 0.00 H new ATOM 0 HB2 GLN A 121 -2.774 -9.450 -6.200 1.00 0.00 H new ATOM 0 HB3 GLN A 121 -3.494 -8.087 -7.033 1.00 0.00 H new ATOM 0 HG2 GLN A 121 -1.295 -7.058 -7.346 1.00 0.00 H new ATOM 0 HG3 GLN A 121 -0.534 -8.321 -6.399 1.00 0.00 H new ATOM 0 HE21 GLN A 121 0.577 -8.190 -8.749 1.00 0.00 H new ATOM 0 HE22 GLN A 121 -0.047 -9.408 -9.867 1.00 0.00 H new ATOM 1534 N SER A 122 -4.630 -8.845 -3.972 1.00 0.00 N ATOM 1535 CA SER A 122 -5.988 -9.039 -3.474 1.00 0.00 C ATOM 1536 C SER A 122 -6.402 -7.900 -2.546 1.00 0.00 C ATOM 1537 O SER A 122 -7.562 -7.488 -2.534 1.00 0.00 O ATOM 1538 CB SER A 122 -6.105 -10.378 -2.743 1.00 0.00 C ATOM 1539 OG SER A 122 -5.239 -10.427 -1.624 1.00 0.00 O ATOM 0 H SER A 122 -4.011 -9.643 -3.828 1.00 0.00 H new ATOM 0 HA SER A 122 -6.660 -9.044 -4.332 1.00 0.00 H new ATOM 0 HB2 SER A 122 -7.134 -10.529 -2.417 1.00 0.00 H new ATOM 0 HB3 SER A 122 -5.865 -11.191 -3.428 1.00 0.00 H new ATOM 0 HG SER A 122 -4.585 -9.699 -1.684 1.00 0.00 H new ATOM 1545 N THR A 123 -5.447 -7.398 -1.769 1.00 0.00 N ATOM 1546 CA THR A 123 -5.715 -6.308 -0.836 1.00 0.00 C ATOM 1547 C THR A 123 -6.281 -5.090 -1.559 1.00 0.00 C ATOM 1548 O THR A 123 -7.311 -4.545 -1.162 1.00 0.00 O ATOM 1549 CB THR A 123 -4.439 -5.896 -0.081 1.00 0.00 C ATOM 1550 OG1 THR A 123 -3.887 -7.031 0.594 1.00 0.00 O ATOM 1551 CG2 THR A 123 -4.736 -4.797 0.929 1.00 0.00 C ATOM 0 H THR A 123 -4.482 -7.728 -1.767 1.00 0.00 H new ATOM 0 HA THR A 123 -6.452 -6.675 -0.121 1.00 0.00 H new ATOM 0 HB THR A 123 -3.720 -5.515 -0.806 1.00 0.00 H new ATOM 0 HG1 THR A 123 -3.553 -7.673 -0.066 1.00 0.00 H new ATOM 0 HG21 THR A 123 -3.818 -4.523 1.449 1.00 0.00 H new ATOM 0 HG22 THR A 123 -5.133 -3.924 0.411 1.00 0.00 H new ATOM 0 HG23 THR A 123 -5.470 -5.155 1.651 1.00 0.00 H new ATOM 1559 N LEU A 124 -5.603 -4.669 -2.623 1.00 0.00 N ATOM 1560 CA LEU A 124 -6.039 -3.518 -3.402 1.00 0.00 C ATOM 1561 C LEU A 124 -7.461 -3.717 -3.916 1.00 0.00 C ATOM 1562 O LEU A 124 -8.263 -2.784 -3.930 1.00 0.00 O ATOM 1563 CB LEU A 124 -5.091 -3.270 -4.579 1.00 0.00 C ATOM 1564 CG LEU A 124 -3.659 -2.878 -4.202 1.00 0.00 C ATOM 1565 CD1 LEU A 124 -2.901 -4.066 -3.635 1.00 0.00 C ATOM 1566 CD2 LEU A 124 -2.925 -2.320 -5.411 1.00 0.00 C ATOM 0 H LEU A 124 -4.749 -5.109 -2.964 1.00 0.00 H new ATOM 0 HA LEU A 124 -6.023 -2.647 -2.747 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -5.053 -4.173 -5.189 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -5.513 -2.482 -5.202 1.00 0.00 H new ATOM 0 HG LEU A 124 -3.713 -2.106 -3.434 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -1.887 -3.761 -3.376 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -3.410 -4.430 -2.743 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -2.861 -4.861 -4.380 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -1.909 -2.046 -5.126 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -2.890 -3.075 -6.196 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -3.448 -1.438 -5.779 1.00 0.00 H new ATOM 1578 N ILE A 125 -7.765 -4.941 -4.340 1.00 0.00 N ATOM 1579 CA ILE A 125 -9.091 -5.266 -4.856 1.00 0.00 C ATOM 1580 C ILE A 125 -10.175 -4.908 -3.843 1.00 0.00 C ATOM 1581 O ILE A 125 -11.181 -4.289 -4.188 1.00 0.00 O ATOM 1582 CB ILE A 125 -9.205 -6.764 -5.208 1.00 0.00 C ATOM 1583 CG1 ILE A 125 -8.111 -7.167 -6.203 1.00 0.00 C ATOM 1584 CG2 ILE A 125 -10.583 -7.075 -5.775 1.00 0.00 C ATOM 1585 CD1 ILE A 125 -8.188 -6.437 -7.527 1.00 0.00 C ATOM 0 H ILE A 125 -7.111 -5.724 -4.336 1.00 0.00 H new ATOM 0 HA ILE A 125 -9.234 -4.677 -5.762 1.00 0.00 H new ATOM 0 HB ILE A 125 -9.070 -7.344 -4.295 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -7.136 -6.980 -5.752 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -8.177 -8.239 -6.386 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -10.646 -8.136 -6.018 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -11.345 -6.826 -5.036 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -10.746 -6.486 -6.678 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -7.381 -6.776 -8.177 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -9.147 -6.644 -8.001 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -8.091 -5.365 -7.357 1.00 0.00 H new ATOM 1597 N ALA A 126 -9.959 -5.302 -2.592 1.00 0.00 N ATOM 1598 CA ALA A 126 -10.914 -5.023 -1.524 1.00 0.00 C ATOM 1599 C ALA A 126 -10.986 -3.529 -1.228 1.00 0.00 C ATOM 1600 O ALA A 126 -12.067 -2.977 -1.028 1.00 0.00 O ATOM 1601 CB ALA A 126 -10.540 -5.795 -0.269 1.00 0.00 C ATOM 0 H ALA A 126 -9.130 -5.816 -2.292 1.00 0.00 H new ATOM 0 HA ALA A 126 -11.900 -5.348 -1.857 1.00 0.00 H new ATOM 0 HB1 ALA A 126 -11.260 -5.578 0.520 1.00 0.00 H new ATOM 0 HB2 ALA A 126 -10.548 -6.864 -0.483 1.00 0.00 H new ATOM 0 HB3 ALA A 126 -9.544 -5.498 0.058 1.00 0.00 H new ATOM 1607 N LEU A 127 -9.826 -2.880 -1.198 1.00 0.00 N ATOM 1608 CA LEU A 127 -9.752 -1.449 -0.925 1.00 0.00 C ATOM 1609 C LEU A 127 -10.590 -0.658 -1.926 1.00 0.00 C ATOM 1610 O LEU A 127 -11.125 0.403 -1.603 1.00 0.00 O ATOM 1611 CB LEU A 127 -8.296 -0.975 -0.974 1.00 0.00 C ATOM 1612 CG LEU A 127 -8.082 0.509 -0.660 1.00 0.00 C ATOM 1613 CD1 LEU A 127 -8.568 0.833 0.746 1.00 0.00 C ATOM 1614 CD2 LEU A 127 -6.614 0.880 -0.816 1.00 0.00 C ATOM 0 H LEU A 127 -8.922 -3.324 -1.360 1.00 0.00 H new ATOM 0 HA LEU A 127 -10.152 -1.274 0.074 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -7.714 -1.567 -0.268 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -7.897 -1.181 -1.967 1.00 0.00 H new ATOM 0 HG LEU A 127 -8.664 1.098 -1.369 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -8.408 1.891 0.951 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -9.631 0.605 0.825 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -8.014 0.235 1.469 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -6.480 1.938 -0.589 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -6.013 0.283 -0.130 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -6.296 0.686 -1.840 1.00 0.00 H new ATOM 1626 N ALA A 128 -10.691 -1.179 -3.144 1.00 0.00 N ATOM 1627 CA ALA A 128 -11.454 -0.526 -4.202 1.00 0.00 C ATOM 1628 C ALA A 128 -12.923 -0.369 -3.819 1.00 0.00 C ATOM 1629 O ALA A 128 -13.507 0.699 -4.003 1.00 0.00 O ATOM 1630 CB ALA A 128 -11.328 -1.309 -5.500 1.00 0.00 C ATOM 0 H ALA A 128 -10.252 -2.056 -3.424 1.00 0.00 H new ATOM 0 HA ALA A 128 -11.040 0.472 -4.345 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -11.902 -0.812 -6.282 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -10.280 -1.358 -5.795 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -11.712 -2.319 -5.355 1.00 0.00 H new ATOM 1636 N SER A 129 -13.515 -1.436 -3.293 1.00 0.00 N ATOM 1637 CA SER A 129 -14.917 -1.408 -2.890 1.00 0.00 C ATOM 1638 C SER A 129 -15.158 -0.348 -1.819 1.00 0.00 C ATOM 1639 O SER A 129 -16.168 0.355 -1.847 1.00 0.00 O ATOM 1640 CB SER A 129 -15.358 -2.783 -2.383 1.00 0.00 C ATOM 1641 OG SER A 129 -14.593 -3.186 -1.261 1.00 0.00 O ATOM 0 H SER A 129 -13.048 -2.329 -3.136 1.00 0.00 H new ATOM 0 HA SER A 129 -15.513 -1.150 -3.766 1.00 0.00 H new ATOM 0 HB2 SER A 129 -16.414 -2.753 -2.114 1.00 0.00 H new ATOM 0 HB3 SER A 129 -15.253 -3.518 -3.181 1.00 0.00 H new ATOM 0 HG SER A 129 -14.996 -2.825 -0.444 1.00 0.00 H new ATOM 1647 N GLN A 130 -14.222 -0.232 -0.882 1.00 0.00 N ATOM 1648 CA GLN A 130 -14.328 0.744 0.189 1.00 0.00 C ATOM 1649 C GLN A 130 -14.290 2.164 -0.358 1.00 0.00 C ATOM 1650 O GLN A 130 -15.127 2.998 -0.016 1.00 0.00 O ATOM 1651 CB GLN A 130 -13.188 0.547 1.174 1.00 0.00 C ATOM 1652 CG GLN A 130 -13.483 -0.458 2.279 1.00 0.00 C ATOM 1653 CD GLN A 130 -13.821 -1.841 1.758 1.00 0.00 C ATOM 1654 OE1 GLN A 130 -14.804 -2.026 1.040 1.00 0.00 O ATOM 1655 NE2 GLN A 130 -13.008 -2.824 2.126 1.00 0.00 N ATOM 0 H GLN A 130 -13.380 -0.806 -0.846 1.00 0.00 H new ATOM 0 HA GLN A 130 -15.283 0.596 0.694 1.00 0.00 H new ATOM 0 HB2 GLN A 130 -12.303 0.220 0.628 1.00 0.00 H new ATOM 0 HB3 GLN A 130 -12.945 1.508 1.628 1.00 0.00 H new ATOM 0 HG2 GLN A 130 -12.618 -0.527 2.938 1.00 0.00 H new ATOM 0 HG3 GLN A 130 -14.314 -0.091 2.882 1.00 0.00 H new ATOM 0 HE21 GLN A 130 -12.205 -2.625 2.722 1.00 0.00 H new ATOM 0 HE22 GLN A 130 -13.187 -3.778 1.812 1.00 0.00 H new ATOM 1664 N ALA A 131 -13.305 2.427 -1.203 1.00 0.00 N ATOM 1665 CA ALA A 131 -13.133 3.741 -1.803 1.00 0.00 C ATOM 1666 C ALA A 131 -14.355 4.144 -2.622 1.00 0.00 C ATOM 1667 O ALA A 131 -14.786 5.296 -2.583 1.00 0.00 O ATOM 1668 CB ALA A 131 -11.882 3.747 -2.664 1.00 0.00 C ATOM 0 H ALA A 131 -12.607 1.741 -1.491 1.00 0.00 H new ATOM 0 HA ALA A 131 -13.023 4.475 -1.004 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -11.754 4.732 -3.113 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -11.014 3.514 -2.047 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -11.978 2.999 -3.451 1.00 0.00 H new ATOM 1674 N LYS A 132 -14.905 3.190 -3.366 1.00 0.00 N ATOM 1675 CA LYS A 132 -16.065 3.434 -4.194 1.00 0.00 C ATOM 1676 C LYS A 132 -17.263 3.873 -3.356 1.00 0.00 C ATOM 1677 O LYS A 132 -17.947 4.841 -3.695 1.00 0.00 O ATOM 1678 CB LYS A 132 -16.400 2.164 -4.968 1.00 0.00 C ATOM 1679 CG LYS A 132 -17.581 2.330 -5.890 1.00 0.00 C ATOM 1680 CD LYS A 132 -17.901 1.047 -6.642 1.00 0.00 C ATOM 1681 CE LYS A 132 -18.300 -0.074 -5.696 1.00 0.00 C ATOM 1682 NZ LYS A 132 -19.503 0.278 -4.893 1.00 0.00 N ATOM 0 H LYS A 132 -14.556 2.232 -3.407 1.00 0.00 H new ATOM 0 HA LYS A 132 -15.836 4.242 -4.889 1.00 0.00 H new ATOM 0 HB2 LYS A 132 -15.531 1.861 -5.551 1.00 0.00 H new ATOM 0 HB3 LYS A 132 -16.607 1.359 -4.263 1.00 0.00 H new ATOM 0 HG2 LYS A 132 -18.452 2.638 -5.312 1.00 0.00 H new ATOM 0 HG3 LYS A 132 -17.374 3.127 -6.604 1.00 0.00 H new ATOM 0 HD2 LYS A 132 -18.710 1.232 -7.349 1.00 0.00 H new ATOM 0 HD3 LYS A 132 -17.032 0.740 -7.224 1.00 0.00 H new ATOM 0 HE2 LYS A 132 -18.499 -0.979 -6.270 1.00 0.00 H new ATOM 0 HE3 LYS A 132 -17.469 -0.297 -5.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 -19.873 -0.576 -4.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 -19.245 0.980 -4.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 -20.233 0.676 -5.518 1.00 0.00 H new