USER MOD reduce.3.24.130724 H: found=0, std=0, add=844, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 845 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 98 GLN : amide:sc= -0.0398 X(o=-0.04,f=-0.26) USER MOD Set 1.2: A 106 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 61 ASN : amide:sc= -2.36 K(o=-2.6,f=-0.43) USER MOD Set 2.2: A 63 GLN : amide:sc= -0.211 K(o=-2.6,f=-0.43) USER MOD Single : A 10 GLN : amide:sc= -0.034 K(o=-0.034,f=-1.4) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -4.27! C(o=-4.3!,f=-8.8!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 HIS : no HD1:sc= -0.0564 X(o=-0.056,f=0) USER MOD Single : A 32 ASN : amide:sc= -0.193 K(o=-0.19,f=-0.77) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 40 TYR OH : rot -140:sc= 0.746 USER MOD Single : A 41 ASN : amide:sc= -0.528 X(o=-0.53,f=-0.7) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.851! USER MOD Single : A 51 ASN : amide:sc= 0.175 K(o=0.18,f=-1.5) USER MOD Single : A 57 TYR OH : rot 180:sc= -0.268 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot -29:sc= 0.171 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc=-0.00253 K(o=-0.0025,f=-1.2) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -0.0477 K(o=-0.048,f=-0.94) USER MOD Single : A 81 SER OG : rot 140:sc= -0.135 USER MOD Single : A 84 MET CE :methyl -112:sc= -0.562 (180deg=-1.32) USER MOD Single : A 86 ASN : amide:sc= -0.0515 K(o=-0.052,f=-0.96) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 THR OG1 : rot 96:sc= 0.401 USER MOD Single : A 94 SER OG : rot 130:sc= -0.0861 USER MOD Single : A 95 TYR OH : rot -23:sc= 0.239 USER MOD Single : A 96 THR OG1 : rot -150:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 150:sc= 0.366 (180deg=-1.29!) USER MOD Single : A 103 ASN : amide:sc= -0.946 X(o=-0.95,f=-0.81) USER MOD Single : A 105 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0.0167 USER MOD Single : A 112 GLN : amide:sc= -3.03 K(o=-3,f=-4.3!) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 116 HIS : no HD1:sc= -0.752 X(o=-0.75,f=-0.52) USER MOD ----------------------------------------------------------------- ATOM 90 N GLN A 10 1.598 15.602 9.365 1.00 0.00 N ATOM 91 CA GLN A 10 1.956 14.861 8.162 1.00 0.00 C ATOM 92 C GLN A 10 0.946 13.753 7.884 1.00 0.00 C ATOM 93 O GLN A 10 0.754 12.853 8.703 1.00 0.00 O ATOM 94 CB GLN A 10 3.358 14.266 8.302 1.00 0.00 C ATOM 95 CG GLN A 10 3.477 13.247 9.424 1.00 0.00 C ATOM 96 CD GLN A 10 4.913 13.014 9.851 1.00 0.00 C ATOM 97 OE1 GLN A 10 5.843 13.588 9.283 1.00 0.00 O ATOM 98 NE2 GLN A 10 5.103 12.167 10.856 1.00 0.00 N ATOM 0 HA GLN A 10 1.946 15.555 7.322 1.00 0.00 H new ATOM 0 HB2 GLN A 10 3.638 13.792 7.361 1.00 0.00 H new ATOM 0 HB3 GLN A 10 4.070 15.072 8.478 1.00 0.00 H new ATOM 0 HG2 GLN A 10 2.898 13.588 10.282 1.00 0.00 H new ATOM 0 HG3 GLN A 10 3.041 12.302 9.100 1.00 0.00 H new ATOM 0 HE21 GLN A 10 4.304 11.713 11.298 1.00 0.00 H new ATOM 0 HE22 GLN A 10 6.048 11.970 11.186 1.00 0.00 H new ATOM 107 N LEU A 11 0.302 13.823 6.724 1.00 0.00 N ATOM 108 CA LEU A 11 -0.690 12.825 6.338 1.00 0.00 C ATOM 109 C LEU A 11 -0.271 11.434 6.801 1.00 0.00 C ATOM 110 O LEU A 11 0.689 10.858 6.287 1.00 0.00 O ATOM 111 CB LEU A 11 -0.885 12.833 4.820 1.00 0.00 C ATOM 112 CG LEU A 11 -2.277 12.444 4.321 1.00 0.00 C ATOM 113 CD1 LEU A 11 -2.371 12.617 2.813 1.00 0.00 C ATOM 114 CD2 LEU A 11 -2.605 11.011 4.717 1.00 0.00 C ATOM 0 H LEU A 11 0.449 14.560 6.034 1.00 0.00 H new ATOM 0 HA LEU A 11 -1.633 13.079 6.821 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -0.654 13.832 4.449 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -0.158 12.152 4.377 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.007 13.105 4.788 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.369 12.335 2.476 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.181 13.658 2.554 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -1.631 11.981 2.327 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -3.599 10.752 4.354 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -1.871 10.335 4.279 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.580 10.919 5.803 1.00 0.00 H new ATOM 126 N THR A 12 -0.999 10.896 7.775 1.00 0.00 N ATOM 127 CA THR A 12 -0.705 9.571 8.307 1.00 0.00 C ATOM 128 C THR A 12 -1.956 8.702 8.341 1.00 0.00 C ATOM 129 O THR A 12 -3.070 9.194 8.160 1.00 0.00 O ATOM 130 CB THR A 12 -0.113 9.655 9.727 1.00 0.00 C ATOM 131 OG1 THR A 12 0.678 8.493 9.997 1.00 0.00 O ATOM 132 CG2 THR A 12 -1.217 9.777 10.767 1.00 0.00 C ATOM 0 H THR A 12 -1.797 11.358 8.211 1.00 0.00 H new ATOM 0 HA THR A 12 0.030 9.119 7.641 1.00 0.00 H new ATOM 0 HB THR A 12 0.516 10.543 9.783 1.00 0.00 H new ATOM 0 HG1 THR A 12 1.052 8.555 10.901 1.00 0.00 H new ATOM 0 HG21 THR A 12 -0.775 9.835 11.762 1.00 0.00 H new ATOM 0 HG22 THR A 12 -1.799 10.678 10.576 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.869 8.905 10.710 1.00 0.00 H new ATOM 140 N ILE A 13 -1.766 7.408 8.575 1.00 0.00 N ATOM 141 CA ILE A 13 -2.881 6.471 8.634 1.00 0.00 C ATOM 142 C ILE A 13 -2.792 5.589 9.875 1.00 0.00 C ATOM 143 O ILE A 13 -1.701 5.275 10.349 1.00 0.00 O ATOM 144 CB ILE A 13 -2.929 5.573 7.383 1.00 0.00 C ATOM 145 CG1 ILE A 13 -3.478 6.355 6.189 1.00 0.00 C ATOM 146 CG2 ILE A 13 -3.776 4.338 7.650 1.00 0.00 C ATOM 147 CD1 ILE A 13 -3.165 5.717 4.853 1.00 0.00 C ATOM 0 H ILE A 13 -0.851 6.985 8.727 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.792 7.067 8.679 1.00 0.00 H new ATOM 0 HB ILE A 13 -1.915 5.250 7.146 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -4.559 6.450 6.293 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -3.067 7.364 6.206 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -3.800 3.713 6.757 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -3.345 3.773 8.476 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -4.791 4.641 7.908 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -3.585 6.325 4.052 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -2.085 5.647 4.727 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -3.600 4.718 4.816 1.00 0.00 H new ATOM 159 N GLU A 14 -3.949 5.192 10.396 1.00 0.00 N ATOM 160 CA GLU A 14 -4.002 4.346 11.582 1.00 0.00 C ATOM 161 C GLU A 14 -5.059 3.257 11.427 1.00 0.00 C ATOM 162 O GLU A 14 -6.154 3.507 10.925 1.00 0.00 O ATOM 163 CB GLU A 14 -4.300 5.188 12.825 1.00 0.00 C ATOM 164 CG GLU A 14 -3.949 4.494 14.130 1.00 0.00 C ATOM 165 CD GLU A 14 -2.534 4.793 14.587 1.00 0.00 C ATOM 166 OE1 GLU A 14 -1.591 4.512 13.819 1.00 0.00 O ATOM 167 OE2 GLU A 14 -2.371 5.309 15.713 1.00 0.00 O ATOM 0 H GLU A 14 -4.862 5.443 10.015 1.00 0.00 H new ATOM 0 HA GLU A 14 -3.029 3.870 11.700 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -3.745 6.124 12.761 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -5.359 5.445 12.834 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -4.650 4.807 14.904 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -4.068 3.417 14.008 1.00 0.00 H new ATOM 174 N ALA A 15 -4.722 2.047 11.862 1.00 0.00 N ATOM 175 CA ALA A 15 -5.642 0.920 11.773 1.00 0.00 C ATOM 176 C ALA A 15 -6.481 0.795 13.040 1.00 0.00 C ATOM 177 O ALA A 15 -5.950 0.790 14.151 1.00 0.00 O ATOM 178 CB ALA A 15 -4.874 -0.369 11.517 1.00 0.00 C ATOM 0 H ALA A 15 -3.819 1.822 12.279 1.00 0.00 H new ATOM 0 HA ALA A 15 -6.318 1.100 10.937 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -5.573 -1.203 11.453 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.323 -0.284 10.580 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.175 -0.544 12.334 1.00 0.00 H new ATOM 184 N VAL A 16 -7.795 0.694 12.866 1.00 0.00 N ATOM 185 CA VAL A 16 -8.708 0.569 13.996 1.00 0.00 C ATOM 186 C VAL A 16 -9.650 -0.616 13.813 1.00 0.00 C ATOM 187 O VAL A 16 -10.564 -0.593 12.989 1.00 0.00 O ATOM 188 CB VAL A 16 -9.544 1.849 14.187 1.00 0.00 C ATOM 189 CG1 VAL A 16 -10.527 1.679 15.335 1.00 0.00 C ATOM 190 CG2 VAL A 16 -8.636 3.046 14.425 1.00 0.00 C ATOM 0 H VAL A 16 -8.251 0.696 11.954 1.00 0.00 H new ATOM 0 HA VAL A 16 -8.094 0.409 14.882 1.00 0.00 H new ATOM 0 HB VAL A 16 -10.115 2.029 13.276 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -11.108 2.593 15.455 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -11.198 0.848 15.119 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -9.980 1.474 16.255 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -9.242 3.942 14.558 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -8.038 2.877 15.320 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -7.976 3.178 13.568 1.00 0.00 H new ATOM 200 N PRO A 17 -9.422 -1.679 14.599 1.00 0.00 N ATOM 201 CA PRO A 17 -8.336 -1.718 15.583 1.00 0.00 C ATOM 202 C PRO A 17 -6.962 -1.787 14.926 1.00 0.00 C ATOM 203 O PRO A 17 -6.838 -1.662 13.708 1.00 0.00 O ATOM 204 CB PRO A 17 -8.617 -3.000 16.371 1.00 0.00 C ATOM 205 CG PRO A 17 -9.387 -3.862 15.430 1.00 0.00 C ATOM 206 CD PRO A 17 -10.208 -2.924 14.588 1.00 0.00 C ATOM 0 HA PRO A 17 -8.312 -0.819 16.200 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -7.691 -3.483 16.684 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -9.189 -2.792 17.275 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -8.718 -4.458 14.810 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -10.025 -4.559 15.973 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -10.342 -3.306 13.576 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -11.203 -2.775 15.007 1.00 0.00 H new ATOM 214 N SER A 18 -5.931 -1.986 15.741 1.00 0.00 N ATOM 215 CA SER A 18 -4.564 -2.068 15.239 1.00 0.00 C ATOM 216 C SER A 18 -4.207 -3.504 14.867 1.00 0.00 C ATOM 217 O SER A 18 -3.297 -3.744 14.075 1.00 0.00 O ATOM 218 CB SER A 18 -3.581 -1.542 16.287 1.00 0.00 C ATOM 219 OG SER A 18 -2.342 -1.195 15.694 1.00 0.00 O ATOM 0 H SER A 18 -6.016 -2.093 16.752 1.00 0.00 H new ATOM 0 HA SER A 18 -4.495 -1.451 14.343 1.00 0.00 H new ATOM 0 HB2 SER A 18 -4.007 -0.670 16.784 1.00 0.00 H new ATOM 0 HB3 SER A 18 -3.421 -2.300 17.054 1.00 0.00 H new ATOM 0 HG SER A 18 -1.732 -0.860 16.384 1.00 0.00 H new ATOM 225 N ASN A 19 -4.933 -4.456 15.445 1.00 0.00 N ATOM 226 CA ASN A 19 -4.693 -5.869 15.175 1.00 0.00 C ATOM 227 C ASN A 19 -5.986 -6.671 15.288 1.00 0.00 C ATOM 228 O ASN A 19 -6.473 -6.932 16.388 1.00 0.00 O ATOM 229 CB ASN A 19 -3.649 -6.425 16.145 1.00 0.00 C ATOM 230 CG ASN A 19 -2.298 -5.754 15.987 1.00 0.00 C ATOM 231 OD1 ASN A 19 -2.178 -4.536 16.119 1.00 0.00 O ATOM 232 ND2 ASN A 19 -1.273 -6.549 15.702 1.00 0.00 N ATOM 0 H ASN A 19 -5.691 -4.275 16.103 1.00 0.00 H new ATOM 0 HA ASN A 19 -4.317 -5.960 14.156 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -4.000 -6.292 17.168 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -3.540 -7.497 15.982 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -0.340 -6.155 15.583 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -1.419 -7.553 15.602 1.00 0.00 H new ATOM 239 N ALA A 20 -6.536 -7.061 14.142 1.00 0.00 N ATOM 240 CA ALA A 20 -7.771 -7.835 14.112 1.00 0.00 C ATOM 241 C ALA A 20 -7.486 -9.312 13.863 1.00 0.00 C ATOM 242 O ALA A 20 -6.342 -9.704 13.636 1.00 0.00 O ATOM 243 CB ALA A 20 -8.711 -7.289 13.048 1.00 0.00 C ATOM 0 H ALA A 20 -6.146 -6.854 13.223 1.00 0.00 H new ATOM 0 HA ALA A 20 -8.252 -7.744 15.086 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -9.629 -7.877 13.037 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -8.949 -6.249 13.272 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -8.230 -7.349 12.072 1.00 0.00 H new ATOM 249 N ALA A 21 -8.535 -10.128 13.907 1.00 0.00 N ATOM 250 CA ALA A 21 -8.397 -11.562 13.684 1.00 0.00 C ATOM 251 C ALA A 21 -9.121 -11.992 12.413 1.00 0.00 C ATOM 252 O ALA A 21 -10.056 -11.328 11.966 1.00 0.00 O ATOM 253 CB ALA A 21 -8.926 -12.336 14.882 1.00 0.00 C ATOM 0 H ALA A 21 -9.489 -9.820 14.095 1.00 0.00 H new ATOM 0 HA ALA A 21 -7.337 -11.785 13.561 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.817 -13.405 14.701 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -8.362 -12.059 15.772 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.979 -12.099 15.032 1.00 0.00 H new ATOM 259 N GLU A 22 -8.682 -13.106 11.835 1.00 0.00 N ATOM 260 CA GLU A 22 -9.289 -13.622 10.614 1.00 0.00 C ATOM 261 C GLU A 22 -10.812 -13.594 10.709 1.00 0.00 C ATOM 262 O GLU A 22 -11.401 -14.217 11.590 1.00 0.00 O ATOM 263 CB GLU A 22 -8.811 -15.051 10.345 1.00 0.00 C ATOM 264 CG GLU A 22 -7.505 -15.120 9.570 1.00 0.00 C ATOM 265 CD GLU A 22 -6.908 -16.513 9.557 1.00 0.00 C ATOM 266 OE1 GLU A 22 -7.508 -17.411 8.931 1.00 0.00 O ATOM 267 OE2 GLU A 22 -5.839 -16.705 10.174 1.00 0.00 O ATOM 0 H GLU A 22 -7.909 -13.668 12.192 1.00 0.00 H new ATOM 0 HA GLU A 22 -8.982 -12.981 9.788 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -8.687 -15.569 11.296 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -9.582 -15.585 9.789 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -7.678 -14.793 8.545 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -6.789 -14.426 10.010 1.00 0.00 H new ATOM 274 N GLY A 23 -11.442 -12.864 9.793 1.00 0.00 N ATOM 275 CA GLY A 23 -12.890 -12.767 9.791 1.00 0.00 C ATOM 276 C GLY A 23 -13.384 -11.462 10.384 1.00 0.00 C ATOM 277 O GLY A 23 -14.573 -11.149 10.313 1.00 0.00 O ATOM 0 H GLY A 23 -10.976 -12.339 9.053 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -13.256 -12.860 8.768 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -13.308 -13.600 10.356 1.00 0.00 H new ATOM 281 N LYS A 24 -12.471 -10.699 10.974 1.00 0.00 N ATOM 282 CA LYS A 24 -12.819 -9.421 11.584 1.00 0.00 C ATOM 283 C LYS A 24 -12.730 -8.290 10.564 1.00 0.00 C ATOM 284 O LYS A 24 -12.400 -8.516 9.400 1.00 0.00 O ATOM 285 CB LYS A 24 -11.893 -9.128 12.767 1.00 0.00 C ATOM 286 CG LYS A 24 -12.142 -10.022 13.969 1.00 0.00 C ATOM 287 CD LYS A 24 -13.451 -9.675 14.660 1.00 0.00 C ATOM 288 CE LYS A 24 -13.885 -10.776 15.616 1.00 0.00 C ATOM 289 NZ LYS A 24 -15.100 -10.393 16.387 1.00 0.00 N ATOM 0 H LYS A 24 -11.483 -10.943 11.043 1.00 0.00 H new ATOM 0 HA LYS A 24 -13.847 -9.485 11.942 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -10.858 -9.245 12.445 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -12.018 -8.087 13.066 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -12.163 -11.064 13.650 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -11.318 -9.921 14.676 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -13.338 -8.740 15.208 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -14.227 -9.514 13.912 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -14.084 -11.688 15.053 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -13.072 -10.999 16.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -15.364 -11.169 17.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -14.902 -9.537 16.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -15.883 -10.205 15.729 1.00 0.00 H new ATOM 303 N GLU A 25 -13.027 -7.073 11.009 1.00 0.00 N ATOM 304 CA GLU A 25 -12.980 -5.907 10.134 1.00 0.00 C ATOM 305 C GLU A 25 -12.051 -4.838 10.702 1.00 0.00 C ATOM 306 O GLU A 25 -12.020 -4.605 11.910 1.00 0.00 O ATOM 307 CB GLU A 25 -14.383 -5.330 9.941 1.00 0.00 C ATOM 308 CG GLU A 25 -15.454 -6.388 9.739 1.00 0.00 C ATOM 309 CD GLU A 25 -16.856 -5.847 9.944 1.00 0.00 C ATOM 310 OE1 GLU A 25 -17.067 -4.639 9.705 1.00 0.00 O ATOM 311 OE2 GLU A 25 -17.742 -6.632 10.342 1.00 0.00 O ATOM 0 H GLU A 25 -13.303 -6.869 11.970 1.00 0.00 H new ATOM 0 HA GLU A 25 -12.590 -6.225 9.167 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -14.641 -4.726 10.811 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -14.377 -4.662 9.079 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -15.370 -6.797 8.732 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -15.281 -7.211 10.432 1.00 0.00 H new ATOM 318 N VAL A 26 -11.296 -4.190 9.821 1.00 0.00 N ATOM 319 CA VAL A 26 -10.367 -3.144 10.233 1.00 0.00 C ATOM 320 C VAL A 26 -10.637 -1.843 9.486 1.00 0.00 C ATOM 321 O VAL A 26 -10.869 -1.845 8.276 1.00 0.00 O ATOM 322 CB VAL A 26 -8.905 -3.566 9.993 1.00 0.00 C ATOM 323 CG1 VAL A 26 -7.962 -2.404 10.263 1.00 0.00 C ATOM 324 CG2 VAL A 26 -8.548 -4.765 10.860 1.00 0.00 C ATOM 0 H VAL A 26 -11.309 -4.371 8.817 1.00 0.00 H new ATOM 0 HA VAL A 26 -10.522 -2.986 11.300 1.00 0.00 H new ATOM 0 HB VAL A 26 -8.796 -3.856 8.948 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -6.934 -2.721 10.088 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -8.204 -1.576 9.597 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -8.071 -2.080 11.298 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.512 -5.050 10.678 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -8.673 -4.504 11.911 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -9.203 -5.601 10.613 1.00 0.00 H new ATOM 334 N LEU A 27 -10.607 -0.732 10.214 1.00 0.00 N ATOM 335 CA LEU A 27 -10.848 0.578 9.620 1.00 0.00 C ATOM 336 C LEU A 27 -9.598 1.449 9.696 1.00 0.00 C ATOM 337 O LEU A 27 -9.222 1.922 10.769 1.00 0.00 O ATOM 338 CB LEU A 27 -12.012 1.274 10.329 1.00 0.00 C ATOM 339 CG LEU A 27 -12.182 2.765 10.033 1.00 0.00 C ATOM 340 CD1 LEU A 27 -13.011 2.968 8.775 1.00 0.00 C ATOM 341 CD2 LEU A 27 -12.825 3.473 11.217 1.00 0.00 C ATOM 0 H LEU A 27 -10.418 -0.712 11.216 1.00 0.00 H new ATOM 0 HA LEU A 27 -11.104 0.433 8.570 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -12.935 0.762 10.057 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -11.883 1.150 11.404 1.00 0.00 H new ATOM 0 HG LEU A 27 -11.196 3.198 9.867 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -13.121 4.035 8.580 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -12.511 2.495 7.930 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -13.995 2.520 8.912 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -12.938 4.533 10.989 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -13.805 3.037 11.413 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -12.193 3.357 12.097 1.00 0.00 H new ATOM 353 N LEU A 28 -8.959 1.658 8.550 1.00 0.00 N ATOM 354 CA LEU A 28 -7.752 2.474 8.485 1.00 0.00 C ATOM 355 C LEU A 28 -8.101 3.955 8.379 1.00 0.00 C ATOM 356 O LEU A 28 -8.458 4.444 7.306 1.00 0.00 O ATOM 357 CB LEU A 28 -6.892 2.054 7.291 1.00 0.00 C ATOM 358 CG LEU A 28 -6.465 0.586 7.255 1.00 0.00 C ATOM 359 CD1 LEU A 28 -6.030 0.191 5.853 1.00 0.00 C ATOM 360 CD2 LEU A 28 -5.347 0.331 8.255 1.00 0.00 C ATOM 0 H LEU A 28 -9.257 1.274 7.653 1.00 0.00 H new ATOM 0 HA LEU A 28 -7.188 2.318 9.404 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.443 2.274 6.377 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -5.995 2.673 7.279 1.00 0.00 H new ATOM 0 HG LEU A 28 -7.321 -0.029 7.534 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.730 -0.857 5.847 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -6.859 0.335 5.161 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.188 0.811 5.545 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.056 -0.719 8.216 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -4.488 0.955 8.008 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.695 0.574 9.259 1.00 0.00 H new ATOM 372 N LEU A 29 -7.992 4.665 9.496 1.00 0.00 N ATOM 373 CA LEU A 29 -8.294 6.092 9.529 1.00 0.00 C ATOM 374 C LEU A 29 -7.126 6.908 8.986 1.00 0.00 C ATOM 375 O LEU A 29 -6.002 6.415 8.889 1.00 0.00 O ATOM 376 CB LEU A 29 -8.618 6.532 10.958 1.00 0.00 C ATOM 377 CG LEU A 29 -10.088 6.450 11.369 1.00 0.00 C ATOM 378 CD1 LEU A 29 -10.228 6.567 12.879 1.00 0.00 C ATOM 379 CD2 LEU A 29 -10.898 7.534 10.671 1.00 0.00 C ATOM 0 H LEU A 29 -7.697 4.276 10.391 1.00 0.00 H new ATOM 0 HA LEU A 29 -9.163 6.269 8.895 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -8.035 5.920 11.646 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -8.283 7.562 11.084 1.00 0.00 H new ATOM 0 HG LEU A 29 -10.477 5.479 11.063 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -11.281 6.506 13.153 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -9.681 5.755 13.359 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -9.822 7.523 13.209 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -11.942 7.461 10.975 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -10.508 8.514 10.946 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -10.825 7.404 9.591 1.00 0.00 H new ATOM 391 N VAL A 30 -7.399 8.160 8.634 1.00 0.00 N ATOM 392 CA VAL A 30 -6.370 9.047 8.103 1.00 0.00 C ATOM 393 C VAL A 30 -6.376 10.389 8.825 1.00 0.00 C ATOM 394 O VAL A 30 -7.435 10.941 9.125 1.00 0.00 O ATOM 395 CB VAL A 30 -6.561 9.288 6.594 1.00 0.00 C ATOM 396 CG1 VAL A 30 -5.269 9.787 5.965 1.00 0.00 C ATOM 397 CG2 VAL A 30 -7.040 8.017 5.908 1.00 0.00 C ATOM 0 H VAL A 30 -8.324 8.583 8.707 1.00 0.00 H new ATOM 0 HA VAL A 30 -5.412 8.554 8.266 1.00 0.00 H new ATOM 0 HB VAL A 30 -7.323 10.056 6.460 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.423 9.952 4.899 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.972 10.723 6.438 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.484 9.044 6.108 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -7.170 8.205 4.842 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -6.302 7.227 6.050 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -7.991 7.707 6.340 1.00 0.00 H new ATOM 407 N HIS A 31 -5.185 10.911 9.102 1.00 0.00 N ATOM 408 CA HIS A 31 -5.052 12.191 9.789 1.00 0.00 C ATOM 409 C HIS A 31 -4.175 13.149 8.988 1.00 0.00 C ATOM 410 O HIS A 31 -3.458 12.735 8.078 1.00 0.00 O ATOM 411 CB HIS A 31 -4.461 11.986 11.184 1.00 0.00 C ATOM 412 CG HIS A 31 -5.046 10.818 11.916 1.00 0.00 C ATOM 413 ND1 HIS A 31 -6.316 10.825 12.452 1.00 0.00 N ATOM 414 CD2 HIS A 31 -4.527 9.600 12.199 1.00 0.00 C ATOM 415 CE1 HIS A 31 -6.553 9.664 13.035 1.00 0.00 C ATOM 416 NE2 HIS A 31 -5.483 8.902 12.895 1.00 0.00 N ATOM 0 H HIS A 31 -4.299 10.467 8.861 1.00 0.00 H new ATOM 0 HA HIS A 31 -6.046 12.629 9.884 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -3.383 11.847 11.096 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -4.619 12.890 11.773 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -3.544 9.244 11.928 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -7.466 9.385 13.540 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -5.383 7.950 13.247 1.00 0.00 H new ATOM 425 N ASN A 32 -4.239 14.431 9.333 1.00 0.00 N ATOM 426 CA ASN A 32 -3.452 15.448 8.644 1.00 0.00 C ATOM 427 C ASN A 32 -3.816 15.508 7.164 1.00 0.00 C ATOM 428 O ASN A 32 -2.990 15.868 6.324 1.00 0.00 O ATOM 429 CB ASN A 32 -1.957 15.159 8.802 1.00 0.00 C ATOM 430 CG ASN A 32 -1.481 15.340 10.231 1.00 0.00 C ATOM 431 OD1 ASN A 32 -1.893 16.272 10.921 1.00 0.00 O ATOM 432 ND2 ASN A 32 -0.609 14.445 10.681 1.00 0.00 N ATOM 0 H ASN A 32 -4.827 14.790 10.085 1.00 0.00 H new ATOM 0 HA ASN A 32 -3.679 16.414 9.095 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -1.751 14.138 8.480 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -1.391 15.821 8.147 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -0.253 14.514 11.634 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -0.295 13.688 10.073 1.00 0.00 H new ATOM 439 N LEU A 33 -5.057 15.153 6.851 1.00 0.00 N ATOM 440 CA LEU A 33 -5.532 15.167 5.472 1.00 0.00 C ATOM 441 C LEU A 33 -5.357 16.549 4.850 1.00 0.00 C ATOM 442 O LEU A 33 -5.230 17.558 5.544 1.00 0.00 O ATOM 443 CB LEU A 33 -7.003 14.752 5.414 1.00 0.00 C ATOM 444 CG LEU A 33 -7.274 13.249 5.348 1.00 0.00 C ATOM 445 CD1 LEU A 33 -8.746 12.960 5.598 1.00 0.00 C ATOM 446 CD2 LEU A 33 -6.840 12.687 4.002 1.00 0.00 C ATOM 0 H LEU A 33 -5.753 14.852 7.533 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.937 14.454 4.902 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.508 15.154 6.292 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.458 15.222 4.542 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.691 12.760 6.129 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -8.920 11.885 5.547 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.026 13.326 6.586 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -9.349 13.461 4.841 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.040 11.616 3.973 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.395 13.182 3.205 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.773 12.860 3.862 1.00 0.00 H new ATOM 458 N PRO A 34 -5.352 16.599 3.509 1.00 0.00 N ATOM 459 CA PRO A 34 -5.197 17.851 2.764 1.00 0.00 C ATOM 460 C PRO A 34 -6.417 18.757 2.891 1.00 0.00 C ATOM 461 O PRO A 34 -7.303 18.508 3.709 1.00 0.00 O ATOM 462 CB PRO A 34 -5.025 17.384 1.317 1.00 0.00 C ATOM 463 CG PRO A 34 -5.701 16.058 1.264 1.00 0.00 C ATOM 464 CD PRO A 34 -5.498 15.436 2.618 1.00 0.00 C ATOM 0 HA PRO A 34 -4.363 18.446 3.136 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -5.477 18.087 0.618 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -3.971 17.302 1.050 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -6.762 16.169 1.041 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -5.274 15.433 0.479 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -6.345 14.813 2.905 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -4.613 14.800 2.639 1.00 0.00 H new ATOM 472 N GLN A 35 -6.457 19.806 2.076 1.00 0.00 N ATOM 473 CA GLN A 35 -7.570 20.748 2.098 1.00 0.00 C ATOM 474 C GLN A 35 -8.703 20.273 1.194 1.00 0.00 C ATOM 475 O GLN A 35 -9.860 20.215 1.611 1.00 0.00 O ATOM 476 CB GLN A 35 -7.099 22.136 1.661 1.00 0.00 C ATOM 477 CG GLN A 35 -6.520 22.167 0.256 1.00 0.00 C ATOM 478 CD GLN A 35 -5.952 23.524 -0.112 1.00 0.00 C ATOM 479 OE1 GLN A 35 -6.568 24.558 0.148 1.00 0.00 O ATOM 480 NE2 GLN A 35 -4.772 23.527 -0.720 1.00 0.00 N ATOM 0 H GLN A 35 -5.732 20.025 1.393 1.00 0.00 H new ATOM 0 HA GLN A 35 -7.945 20.805 3.120 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -7.939 22.829 1.714 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -6.346 22.493 2.363 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -5.736 21.415 0.174 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -7.297 21.897 -0.459 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -4.297 22.646 -0.916 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -4.340 24.410 -0.991 1.00 0.00 H new ATOM 489 N ASP A 36 -8.362 19.936 -0.045 1.00 0.00 N ATOM 490 CA ASP A 36 -9.350 19.466 -1.008 1.00 0.00 C ATOM 491 C ASP A 36 -8.862 18.206 -1.717 1.00 0.00 C ATOM 492 O ASP A 36 -8.245 18.262 -2.781 1.00 0.00 O ATOM 493 CB ASP A 36 -9.653 20.558 -2.035 1.00 0.00 C ATOM 494 CG ASP A 36 -8.414 21.333 -2.439 1.00 0.00 C ATOM 495 OD1 ASP A 36 -7.323 20.726 -2.480 1.00 0.00 O ATOM 496 OD2 ASP A 36 -8.535 22.545 -2.714 1.00 0.00 O ATOM 0 H ASP A 36 -7.409 19.980 -0.406 1.00 0.00 H new ATOM 0 HA ASP A 36 -10.264 19.225 -0.465 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -10.100 20.106 -2.920 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -10.390 21.247 -1.622 1.00 0.00 H new ATOM 501 N PRO A 37 -9.143 17.041 -1.114 1.00 0.00 N ATOM 502 CA PRO A 37 -8.741 15.745 -1.670 1.00 0.00 C ATOM 503 C PRO A 37 -9.517 15.391 -2.934 1.00 0.00 C ATOM 504 O PRO A 37 -10.514 14.671 -2.880 1.00 0.00 O ATOM 505 CB PRO A 37 -9.071 14.760 -0.546 1.00 0.00 C ATOM 506 CG PRO A 37 -10.153 15.423 0.235 1.00 0.00 C ATOM 507 CD PRO A 37 -9.875 16.899 0.156 1.00 0.00 C ATOM 0 HA PRO A 37 -7.693 15.737 -1.969 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -9.402 13.801 -0.945 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -8.198 14.563 0.076 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -11.134 15.188 -0.179 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -10.153 15.081 1.270 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -10.796 17.482 0.156 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -9.281 17.242 1.003 1.00 0.00 H new ATOM 515 N ARG A 38 -9.052 15.900 -4.070 1.00 0.00 N ATOM 516 CA ARG A 38 -9.704 15.637 -5.347 1.00 0.00 C ATOM 517 C ARG A 38 -10.253 14.214 -5.395 1.00 0.00 C ATOM 518 O ARG A 38 -11.316 13.967 -5.963 1.00 0.00 O ATOM 519 CB ARG A 38 -8.721 15.854 -6.499 1.00 0.00 C ATOM 520 CG ARG A 38 -9.390 16.254 -7.804 1.00 0.00 C ATOM 521 CD ARG A 38 -8.368 16.504 -8.901 1.00 0.00 C ATOM 522 NE ARG A 38 -8.967 16.447 -10.232 1.00 0.00 N ATOM 523 CZ ARG A 38 -9.637 17.454 -10.780 1.00 0.00 C ATOM 524 NH1 ARG A 38 -9.790 18.592 -10.116 1.00 0.00 N ATOM 525 NH2 ARG A 38 -10.153 17.326 -11.996 1.00 0.00 N ATOM 0 H ARG A 38 -8.227 16.496 -4.132 1.00 0.00 H new ATOM 0 HA ARG A 38 -10.536 16.333 -5.451 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -8.007 16.627 -6.215 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -8.153 14.938 -6.658 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -10.077 15.468 -8.118 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -9.985 17.154 -7.648 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -7.908 17.481 -8.752 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -7.572 15.763 -8.830 1.00 0.00 H new ATOM 0 HE ARG A 38 -8.865 15.586 -10.770 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -9.393 18.695 -9.182 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -10.305 19.364 -10.539 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -10.035 16.453 -12.511 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -10.667 18.100 -12.416 1.00 0.00 H new ATOM 539 N GLY A 39 -9.520 13.282 -4.794 1.00 0.00 N ATOM 540 CA GLY A 39 -9.950 11.896 -4.779 1.00 0.00 C ATOM 541 C GLY A 39 -8.959 10.989 -4.076 1.00 0.00 C ATOM 542 O GLY A 39 -7.763 11.275 -4.040 1.00 0.00 O ATOM 0 H GLY A 39 -8.636 13.462 -4.317 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -10.918 11.825 -4.283 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -10.090 11.551 -5.803 1.00 0.00 H new ATOM 546 N TYR A 40 -9.458 9.893 -3.515 1.00 0.00 N ATOM 547 CA TYR A 40 -8.609 8.943 -2.806 1.00 0.00 C ATOM 548 C TYR A 40 -8.302 7.730 -3.678 1.00 0.00 C ATOM 549 O TYR A 40 -9.110 7.335 -4.517 1.00 0.00 O ATOM 550 CB TYR A 40 -9.283 8.495 -1.508 1.00 0.00 C ATOM 551 CG TYR A 40 -9.910 9.629 -0.728 1.00 0.00 C ATOM 552 CD1 TYR A 40 -9.139 10.684 -0.257 1.00 0.00 C ATOM 553 CD2 TYR A 40 -11.274 9.646 -0.464 1.00 0.00 C ATOM 554 CE1 TYR A 40 -9.707 11.722 0.456 1.00 0.00 C ATOM 555 CE2 TYR A 40 -11.851 10.680 0.247 1.00 0.00 C ATOM 556 CZ TYR A 40 -11.064 11.715 0.706 1.00 0.00 C ATOM 557 OH TYR A 40 -11.634 12.748 1.414 1.00 0.00 O ATOM 0 H TYR A 40 -10.446 9.641 -3.538 1.00 0.00 H new ATOM 0 HA TYR A 40 -7.670 9.442 -2.567 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -10.051 7.758 -1.743 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -8.546 7.997 -0.879 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -8.077 10.693 -0.452 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -11.894 8.837 -0.821 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -9.093 12.534 0.816 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -12.913 10.678 0.442 1.00 0.00 H new ATOM 0 HH TYR A 40 -12.310 12.391 2.027 1.00 0.00 H new ATOM 567 N ASN A 41 -7.128 7.143 -3.471 1.00 0.00 N ATOM 568 CA ASN A 41 -6.713 5.973 -4.238 1.00 0.00 C ATOM 569 C ASN A 41 -5.862 5.038 -3.384 1.00 0.00 C ATOM 570 O ASN A 41 -4.714 5.345 -3.064 1.00 0.00 O ATOM 571 CB ASN A 41 -5.929 6.404 -5.479 1.00 0.00 C ATOM 572 CG ASN A 41 -6.836 6.744 -6.646 1.00 0.00 C ATOM 573 OD1 ASN A 41 -7.277 5.862 -7.382 1.00 0.00 O ATOM 574 ND2 ASN A 41 -7.117 8.030 -6.821 1.00 0.00 N ATOM 0 H ASN A 41 -6.447 7.457 -2.779 1.00 0.00 H new ATOM 0 HA ASN A 41 -7.609 5.436 -4.551 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -5.315 7.271 -5.235 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -5.249 5.604 -5.772 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -7.721 8.320 -7.590 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -6.729 8.728 -6.186 1.00 0.00 H new ATOM 581 N TRP A 42 -6.433 3.895 -3.021 1.00 0.00 N ATOM 582 CA TRP A 42 -5.727 2.913 -2.205 1.00 0.00 C ATOM 583 C TRP A 42 -4.982 1.912 -3.082 1.00 0.00 C ATOM 584 O TRP A 42 -5.429 1.583 -4.181 1.00 0.00 O ATOM 585 CB TRP A 42 -6.708 2.179 -1.291 1.00 0.00 C ATOM 586 CG TRP A 42 -7.157 3.000 -0.120 1.00 0.00 C ATOM 587 CD1 TRP A 42 -8.218 3.860 -0.080 1.00 0.00 C ATOM 588 CD2 TRP A 42 -6.556 3.040 1.179 1.00 0.00 C ATOM 589 NE1 TRP A 42 -8.312 4.432 1.166 1.00 0.00 N ATOM 590 CE2 TRP A 42 -7.305 3.945 1.957 1.00 0.00 C ATOM 591 CE3 TRP A 42 -5.460 2.399 1.762 1.00 0.00 C ATOM 592 CZ2 TRP A 42 -6.991 4.223 3.284 1.00 0.00 C ATOM 593 CZ3 TRP A 42 -5.149 2.676 3.079 1.00 0.00 C ATOM 594 CH2 TRP A 42 -5.912 3.581 3.829 1.00 0.00 C ATOM 0 H TRP A 42 -7.382 3.625 -3.279 1.00 0.00 H new ATOM 0 HA TRP A 42 -4.998 3.443 -1.592 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -7.581 1.880 -1.872 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -6.239 1.265 -0.926 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -8.884 4.061 -0.906 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -9.017 5.110 1.455 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -4.866 1.699 1.193 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -7.578 4.921 3.863 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -4.303 2.187 3.539 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -5.643 3.776 4.857 1.00 0.00 H new ATOM 605 N TYR A 43 -3.847 1.431 -2.589 1.00 0.00 N ATOM 606 CA TYR A 43 -3.040 0.468 -3.328 1.00 0.00 C ATOM 607 C TYR A 43 -2.507 -0.622 -2.403 1.00 0.00 C ATOM 608 O TYR A 43 -2.508 -0.471 -1.181 1.00 0.00 O ATOM 609 CB TYR A 43 -1.876 1.174 -4.025 1.00 0.00 C ATOM 610 CG TYR A 43 -2.313 2.241 -5.004 1.00 0.00 C ATOM 611 CD1 TYR A 43 -2.671 1.912 -6.305 1.00 0.00 C ATOM 612 CD2 TYR A 43 -2.369 3.577 -4.626 1.00 0.00 C ATOM 613 CE1 TYR A 43 -3.071 2.883 -7.203 1.00 0.00 C ATOM 614 CE2 TYR A 43 -2.769 4.555 -5.517 1.00 0.00 C ATOM 615 CZ TYR A 43 -3.118 4.203 -6.804 1.00 0.00 C ATOM 616 OH TYR A 43 -3.517 5.173 -7.695 1.00 0.00 O ATOM 0 H TYR A 43 -3.465 1.692 -1.680 1.00 0.00 H new ATOM 0 HA TYR A 43 -3.677 0.002 -4.080 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -1.233 1.627 -3.271 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -1.276 0.433 -4.553 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -2.636 0.880 -6.620 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -2.095 3.856 -3.619 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -3.345 2.610 -8.211 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -2.808 5.589 -5.207 1.00 0.00 H new ATOM 0 HH TYR A 43 -3.496 6.049 -7.256 1.00 0.00 H new ATOM 626 N LYS A 44 -2.052 -1.721 -2.995 1.00 0.00 N ATOM 627 CA LYS A 44 -1.514 -2.837 -2.226 1.00 0.00 C ATOM 628 C LYS A 44 0.007 -2.891 -2.337 1.00 0.00 C ATOM 629 O LYS A 44 0.558 -2.911 -3.437 1.00 0.00 O ATOM 630 CB LYS A 44 -2.118 -4.157 -2.713 1.00 0.00 C ATOM 631 CG LYS A 44 -1.769 -5.346 -1.835 1.00 0.00 C ATOM 632 CD LYS A 44 -2.668 -6.536 -2.125 1.00 0.00 C ATOM 633 CE LYS A 44 -2.252 -7.758 -1.320 1.00 0.00 C ATOM 634 NZ LYS A 44 -3.388 -8.699 -1.114 1.00 0.00 N ATOM 0 H LYS A 44 -2.045 -1.863 -4.005 1.00 0.00 H new ATOM 0 HA LYS A 44 -1.780 -2.686 -1.180 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -3.202 -4.056 -2.759 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -1.773 -4.352 -3.728 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -0.728 -5.627 -1.998 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -1.863 -5.065 -0.786 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -3.701 -6.279 -1.890 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -2.632 -6.770 -3.189 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -1.442 -8.274 -1.835 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -1.863 -7.441 -0.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -3.064 -9.518 -0.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -4.151 -8.215 -0.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -3.743 -9.022 -2.037 1.00 0.00 H new ATOM 648 N GLY A 45 0.679 -2.917 -1.190 1.00 0.00 N ATOM 649 CA GLY A 45 2.129 -2.970 -1.181 1.00 0.00 C ATOM 650 C GLY A 45 2.746 -1.842 -0.379 1.00 0.00 C ATOM 651 O GLY A 45 2.108 -1.289 0.517 1.00 0.00 O ATOM 0 H GLY A 45 0.245 -2.902 -0.267 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.452 -3.925 -0.767 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.497 -2.926 -2.206 1.00 0.00 H new ATOM 655 N GLU A 46 3.990 -1.500 -0.700 1.00 0.00 N ATOM 656 CA GLU A 46 4.693 -0.432 0.000 1.00 0.00 C ATOM 657 C GLU A 46 5.029 0.713 -0.952 1.00 0.00 C ATOM 658 O GLU A 46 5.973 1.470 -0.722 1.00 0.00 O ATOM 659 CB GLU A 46 5.973 -0.969 0.642 1.00 0.00 C ATOM 660 CG GLU A 46 5.723 -1.999 1.731 1.00 0.00 C ATOM 661 CD GLU A 46 6.956 -2.275 2.568 1.00 0.00 C ATOM 662 OE1 GLU A 46 7.804 -3.080 2.129 1.00 0.00 O ATOM 663 OE2 GLU A 46 7.074 -1.685 3.662 1.00 0.00 O ATOM 0 H GLU A 46 4.531 -1.947 -1.440 1.00 0.00 H new ATOM 0 HA GLU A 46 4.036 -0.051 0.782 1.00 0.00 H new ATOM 0 HB2 GLU A 46 6.598 -1.415 -0.132 1.00 0.00 H new ATOM 0 HB3 GLU A 46 6.535 -0.136 1.064 1.00 0.00 H new ATOM 0 HG2 GLU A 46 4.920 -1.649 2.379 1.00 0.00 H new ATOM 0 HG3 GLU A 46 5.383 -2.929 1.275 1.00 0.00 H new ATOM 670 N THR A 47 4.250 0.833 -2.022 1.00 0.00 N ATOM 671 CA THR A 47 4.465 1.882 -3.010 1.00 0.00 C ATOM 672 C THR A 47 3.271 2.006 -3.950 1.00 0.00 C ATOM 673 O THR A 47 2.365 1.173 -3.932 1.00 0.00 O ATOM 674 CB THR A 47 5.734 1.618 -3.844 1.00 0.00 C ATOM 675 OG1 THR A 47 5.572 2.149 -5.164 1.00 0.00 O ATOM 676 CG2 THR A 47 6.028 0.128 -3.923 1.00 0.00 C ATOM 0 H THR A 47 3.464 0.216 -2.226 1.00 0.00 H new ATOM 0 HA THR A 47 4.589 2.814 -2.458 1.00 0.00 H new ATOM 0 HB THR A 47 6.574 2.112 -3.355 1.00 0.00 H new ATOM 0 HG1 THR A 47 6.383 1.979 -5.687 1.00 0.00 H new ATOM 0 HG21 THR A 47 6.928 -0.034 -4.516 1.00 0.00 H new ATOM 0 HG22 THR A 47 6.180 -0.267 -2.918 1.00 0.00 H new ATOM 0 HG23 THR A 47 5.187 -0.384 -4.391 1.00 0.00 H new ATOM 684 N VAL A 48 3.276 3.052 -4.770 1.00 0.00 N ATOM 685 CA VAL A 48 2.193 3.284 -5.719 1.00 0.00 C ATOM 686 C VAL A 48 2.231 2.269 -6.855 1.00 0.00 C ATOM 687 O VAL A 48 3.057 2.368 -7.762 1.00 0.00 O ATOM 688 CB VAL A 48 2.260 4.705 -6.311 1.00 0.00 C ATOM 689 CG1 VAL A 48 1.165 4.904 -7.348 1.00 0.00 C ATOM 690 CG2 VAL A 48 2.157 5.747 -5.208 1.00 0.00 C ATOM 0 H VAL A 48 4.017 3.752 -4.796 1.00 0.00 H new ATOM 0 HA VAL A 48 1.259 3.172 -5.168 1.00 0.00 H new ATOM 0 HB VAL A 48 3.223 4.828 -6.807 1.00 0.00 H new ATOM 0 HG11 VAL A 48 1.228 5.913 -7.755 1.00 0.00 H new ATOM 0 HG12 VAL A 48 1.290 4.180 -8.153 1.00 0.00 H new ATOM 0 HG13 VAL A 48 0.191 4.762 -6.880 1.00 0.00 H new ATOM 0 HG21 VAL A 48 2.206 6.745 -5.644 1.00 0.00 H new ATOM 0 HG22 VAL A 48 1.210 5.627 -4.682 1.00 0.00 H new ATOM 0 HG23 VAL A 48 2.981 5.617 -4.506 1.00 0.00 H new ATOM 700 N ASP A 49 1.330 1.294 -6.801 1.00 0.00 N ATOM 701 CA ASP A 49 1.259 0.261 -7.827 1.00 0.00 C ATOM 702 C ASP A 49 -0.109 0.258 -8.502 1.00 0.00 C ATOM 703 O ASP A 49 -1.116 -0.088 -7.885 1.00 0.00 O ATOM 704 CB ASP A 49 1.543 -1.113 -7.218 1.00 0.00 C ATOM 705 CG ASP A 49 1.018 -1.239 -5.801 1.00 0.00 C ATOM 706 OD1 ASP A 49 -0.215 -1.163 -5.617 1.00 0.00 O ATOM 707 OD2 ASP A 49 1.839 -1.412 -4.876 1.00 0.00 O ATOM 0 H ASP A 49 0.639 1.198 -6.057 1.00 0.00 H new ATOM 0 HA ASP A 49 2.016 0.480 -8.580 1.00 0.00 H new ATOM 0 HB2 ASP A 49 1.089 -1.884 -7.840 1.00 0.00 H new ATOM 0 HB3 ASP A 49 2.618 -1.293 -7.221 1.00 0.00 H new ATOM 712 N ALA A 50 -0.137 0.648 -9.772 1.00 0.00 N ATOM 713 CA ALA A 50 -1.381 0.690 -10.531 1.00 0.00 C ATOM 714 C ALA A 50 -1.864 -0.715 -10.871 1.00 0.00 C ATOM 715 O ALA A 50 -3.041 -0.924 -11.161 1.00 0.00 O ATOM 716 CB ALA A 50 -1.197 1.509 -11.800 1.00 0.00 C ATOM 0 H ALA A 50 0.688 0.939 -10.297 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.140 1.166 -9.911 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.134 1.532 -12.357 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -0.906 2.526 -11.538 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -0.420 1.056 -12.416 1.00 0.00 H new ATOM 722 N ASN A 51 -0.947 -1.677 -10.833 1.00 0.00 N ATOM 723 CA ASN A 51 -1.281 -3.063 -11.138 1.00 0.00 C ATOM 724 C ASN A 51 -2.019 -3.715 -9.972 1.00 0.00 C ATOM 725 O ASN A 51 -2.826 -4.624 -10.166 1.00 0.00 O ATOM 726 CB ASN A 51 -0.012 -3.856 -11.459 1.00 0.00 C ATOM 727 CG ASN A 51 0.957 -3.070 -12.321 1.00 0.00 C ATOM 728 OD1 ASN A 51 1.663 -2.187 -11.834 1.00 0.00 O ATOM 729 ND2 ASN A 51 0.995 -3.389 -13.610 1.00 0.00 N ATOM 0 H ASN A 51 0.032 -1.522 -10.594 1.00 0.00 H new ATOM 0 HA ASN A 51 -1.937 -3.069 -12.009 1.00 0.00 H new ATOM 0 HB2 ASN A 51 0.481 -4.140 -10.529 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -0.283 -4.779 -11.971 1.00 0.00 H new ATOM 0 HD21 ASN A 51 1.628 -2.895 -14.239 1.00 0.00 H new ATOM 0 HD22 ASN A 51 0.392 -4.128 -13.970 1.00 0.00 H new ATOM 736 N ARG A 52 -1.737 -3.243 -8.763 1.00 0.00 N ATOM 737 CA ARG A 52 -2.374 -3.779 -7.566 1.00 0.00 C ATOM 738 C ARG A 52 -3.388 -2.790 -6.999 1.00 0.00 C ATOM 739 O ARG A 52 -3.774 -2.880 -5.834 1.00 0.00 O ATOM 740 CB ARG A 52 -1.320 -4.109 -6.506 1.00 0.00 C ATOM 741 CG ARG A 52 -0.174 -4.957 -7.031 1.00 0.00 C ATOM 742 CD ARG A 52 -0.615 -6.389 -7.294 1.00 0.00 C ATOM 743 NE ARG A 52 -1.054 -6.581 -8.673 1.00 0.00 N ATOM 744 CZ ARG A 52 -0.221 -6.783 -9.688 1.00 0.00 C ATOM 745 NH1 ARG A 52 1.088 -6.819 -9.479 1.00 0.00 N ATOM 746 NH2 ARG A 52 -0.697 -6.950 -10.915 1.00 0.00 N ATOM 0 H ARG A 52 -1.072 -2.490 -8.586 1.00 0.00 H new ATOM 0 HA ARG A 52 -2.900 -4.692 -7.843 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -0.918 -3.179 -6.103 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -1.800 -4.633 -5.679 1.00 0.00 H new ATOM 0 HG2 ARG A 52 0.212 -4.519 -7.952 1.00 0.00 H new ATOM 0 HG3 ARG A 52 0.643 -4.953 -6.309 1.00 0.00 H new ATOM 0 HD2 ARG A 52 0.210 -7.068 -7.078 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -1.427 -6.649 -6.615 1.00 0.00 H new ATOM 0 HE ARG A 52 -2.055 -6.559 -8.868 1.00 0.00 H new ATOM 0 HH11 ARG A 52 1.458 -6.691 -8.537 1.00 0.00 H new ATOM 0 HH12 ARG A 52 1.725 -6.974 -10.260 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -1.703 -6.923 -11.080 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -0.057 -7.105 -11.694 1.00 0.00 H new ATOM 760 N ARG A 53 -3.815 -1.846 -7.832 1.00 0.00 N ATOM 761 CA ARG A 53 -4.783 -0.839 -7.414 1.00 0.00 C ATOM 762 C ARG A 53 -6.012 -1.493 -6.790 1.00 0.00 C ATOM 763 O ARG A 53 -6.799 -2.143 -7.480 1.00 0.00 O ATOM 764 CB ARG A 53 -5.200 0.024 -8.607 1.00 0.00 C ATOM 765 CG ARG A 53 -6.136 1.163 -8.236 1.00 0.00 C ATOM 766 CD ARG A 53 -6.137 2.251 -9.298 1.00 0.00 C ATOM 767 NE ARG A 53 -6.694 1.781 -10.564 1.00 0.00 N ATOM 768 CZ ARG A 53 -7.994 1.772 -10.836 1.00 0.00 C ATOM 769 NH1 ARG A 53 -8.866 2.206 -9.936 1.00 0.00 N ATOM 770 NH2 ARG A 53 -8.425 1.329 -12.010 1.00 0.00 N ATOM 0 H ARG A 53 -3.506 -1.758 -8.800 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.310 -0.205 -6.664 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -4.307 0.437 -9.076 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -5.687 -0.608 -9.350 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -7.147 0.777 -8.108 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -5.833 1.587 -7.279 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -6.715 3.104 -8.942 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -5.117 2.601 -9.459 1.00 0.00 H new ATOM 0 HE ARG A 53 -6.050 1.441 -11.278 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -8.539 2.548 -9.032 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -9.864 2.198 -10.147 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -7.758 0.995 -12.705 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -9.424 1.323 -12.217 1.00 0.00 H new ATOM 784 N ILE A 54 -6.171 -1.316 -5.483 1.00 0.00 N ATOM 785 CA ILE A 54 -7.304 -1.888 -4.767 1.00 0.00 C ATOM 786 C ILE A 54 -8.611 -1.222 -5.185 1.00 0.00 C ATOM 787 O ILE A 54 -9.551 -1.892 -5.613 1.00 0.00 O ATOM 788 CB ILE A 54 -7.135 -1.750 -3.242 1.00 0.00 C ATOM 789 CG1 ILE A 54 -5.889 -2.504 -2.775 1.00 0.00 C ATOM 790 CG2 ILE A 54 -8.373 -2.264 -2.523 1.00 0.00 C ATOM 791 CD1 ILE A 54 -5.392 -2.066 -1.415 1.00 0.00 C ATOM 0 H ILE A 54 -5.529 -0.781 -4.898 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.339 -2.946 -5.026 1.00 0.00 H new ATOM 0 HB ILE A 54 -7.010 -0.695 -2.999 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -6.110 -3.571 -2.746 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -5.093 -2.363 -3.506 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -8.238 -2.160 -1.446 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -9.242 -1.687 -2.837 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -8.527 -3.315 -2.769 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -4.506 -2.643 -1.148 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -5.140 -1.006 -1.444 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -6.171 -2.233 -0.672 1.00 0.00 H new ATOM 803 N ILE A 55 -8.661 0.100 -5.059 1.00 0.00 N ATOM 804 CA ILE A 55 -9.852 0.857 -5.427 1.00 0.00 C ATOM 805 C ILE A 55 -9.589 2.358 -5.365 1.00 0.00 C ATOM 806 O ILE A 55 -8.804 2.828 -4.544 1.00 0.00 O ATOM 807 CB ILE A 55 -11.041 0.517 -4.509 1.00 0.00 C ATOM 808 CG1 ILE A 55 -12.342 1.064 -5.099 1.00 0.00 C ATOM 809 CG2 ILE A 55 -10.809 1.077 -3.113 1.00 0.00 C ATOM 810 CD1 ILE A 55 -13.565 0.263 -4.711 1.00 0.00 C ATOM 0 H ILE A 55 -7.892 0.669 -4.705 1.00 0.00 H new ATOM 0 HA ILE A 55 -10.102 0.576 -6.450 1.00 0.00 H new ATOM 0 HB ILE A 55 -11.126 -0.567 -4.435 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -12.474 2.095 -4.772 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -12.259 1.082 -6.186 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -11.658 0.829 -2.476 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -9.901 0.644 -2.693 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -10.702 2.160 -3.169 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -14.450 0.708 -5.165 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -13.454 -0.763 -5.062 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -13.673 0.266 -3.626 1.00 0.00 H new ATOM 822 N GLY A 56 -10.255 3.106 -6.240 1.00 0.00 N ATOM 823 CA GLY A 56 -10.082 4.546 -6.268 1.00 0.00 C ATOM 824 C GLY A 56 -11.402 5.288 -6.335 1.00 0.00 C ATOM 825 O GLY A 56 -12.292 4.918 -7.102 1.00 0.00 O ATOM 0 H GLY A 56 -10.911 2.740 -6.930 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -9.537 4.861 -5.378 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.471 4.819 -7.129 1.00 0.00 H new ATOM 829 N TYR A 57 -11.532 6.336 -5.529 1.00 0.00 N ATOM 830 CA TYR A 57 -12.755 7.129 -5.497 1.00 0.00 C ATOM 831 C TYR A 57 -12.455 8.603 -5.749 1.00 0.00 C ATOM 832 O TYR A 57 -11.518 9.165 -5.180 1.00 0.00 O ATOM 833 CB TYR A 57 -13.460 6.963 -4.150 1.00 0.00 C ATOM 834 CG TYR A 57 -14.502 8.024 -3.877 1.00 0.00 C ATOM 835 CD1 TYR A 57 -15.725 8.010 -4.536 1.00 0.00 C ATOM 836 CD2 TYR A 57 -14.263 9.041 -2.961 1.00 0.00 C ATOM 837 CE1 TYR A 57 -16.680 8.978 -4.291 1.00 0.00 C ATOM 838 CE2 TYR A 57 -15.213 10.012 -2.709 1.00 0.00 C ATOM 839 CZ TYR A 57 -16.419 9.976 -3.376 1.00 0.00 C ATOM 840 OH TYR A 57 -17.367 10.943 -3.128 1.00 0.00 O ATOM 0 H TYR A 57 -10.805 6.656 -4.889 1.00 0.00 H new ATOM 0 HA TYR A 57 -13.412 6.770 -6.290 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -13.935 5.982 -4.116 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -12.715 6.984 -3.355 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -15.933 7.229 -5.252 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -13.319 9.073 -2.437 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -17.625 8.953 -4.813 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -15.012 10.795 -1.993 1.00 0.00 H new ATOM 0 HH TYR A 57 -17.026 11.571 -2.457 1.00 0.00 H new ATOM 850 N VAL A 58 -13.258 9.226 -6.606 1.00 0.00 N ATOM 851 CA VAL A 58 -13.082 10.635 -6.934 1.00 0.00 C ATOM 852 C VAL A 58 -14.191 11.484 -6.324 1.00 0.00 C ATOM 853 O VAL A 58 -15.373 11.258 -6.583 1.00 0.00 O ATOM 854 CB VAL A 58 -13.058 10.859 -8.457 1.00 0.00 C ATOM 855 CG1 VAL A 58 -12.464 12.220 -8.788 1.00 0.00 C ATOM 856 CG2 VAL A 58 -12.281 9.747 -9.147 1.00 0.00 C ATOM 0 H VAL A 58 -14.037 8.776 -7.086 1.00 0.00 H new ATOM 0 HA VAL A 58 -12.123 10.939 -6.515 1.00 0.00 H new ATOM 0 HB VAL A 58 -14.084 10.838 -8.826 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -12.455 12.360 -9.869 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -13.066 13.002 -8.326 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -11.444 12.274 -8.407 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -12.274 9.921 -10.223 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -11.257 9.734 -8.775 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -12.755 8.788 -8.938 1.00 0.00 H new ATOM 866 N ILE A 59 -13.802 12.462 -5.512 1.00 0.00 N ATOM 867 CA ILE A 59 -14.764 13.346 -4.867 1.00 0.00 C ATOM 868 C ILE A 59 -15.291 14.392 -5.843 1.00 0.00 C ATOM 869 O ILE A 59 -16.459 14.778 -5.785 1.00 0.00 O ATOM 870 CB ILE A 59 -14.145 14.061 -3.651 1.00 0.00 C ATOM 871 CG1 ILE A 59 -13.779 13.045 -2.567 1.00 0.00 C ATOM 872 CG2 ILE A 59 -15.106 15.105 -3.104 1.00 0.00 C ATOM 873 CD1 ILE A 59 -12.761 13.561 -1.574 1.00 0.00 C ATOM 0 H ILE A 59 -12.828 12.662 -5.286 1.00 0.00 H new ATOM 0 HA ILE A 59 -15.590 12.720 -4.529 1.00 0.00 H new ATOM 0 HB ILE A 59 -13.234 14.567 -3.971 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -14.683 12.756 -2.031 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -13.388 12.145 -3.041 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -14.654 15.601 -2.245 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -15.321 15.842 -3.877 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -16.033 14.621 -2.797 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -12.549 12.788 -0.835 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -11.842 13.823 -2.098 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -13.157 14.444 -1.072 1.00 0.00 H new ATOM 885 N SER A 60 -14.422 14.847 -6.741 1.00 0.00 N ATOM 886 CA SER A 60 -14.799 15.850 -7.729 1.00 0.00 C ATOM 887 C SER A 60 -15.914 15.331 -8.632 1.00 0.00 C ATOM 888 O SER A 60 -16.694 16.107 -9.182 1.00 0.00 O ATOM 889 CB SER A 60 -13.586 16.246 -8.574 1.00 0.00 C ATOM 890 OG SER A 60 -13.983 16.952 -9.736 1.00 0.00 O ATOM 0 H SER A 60 -13.452 14.536 -6.804 1.00 0.00 H new ATOM 0 HA SER A 60 -15.165 16.728 -7.197 1.00 0.00 H new ATOM 0 HB2 SER A 60 -12.912 16.865 -7.981 1.00 0.00 H new ATOM 0 HB3 SER A 60 -13.030 15.353 -8.859 1.00 0.00 H new ATOM 0 HG SER A 60 -13.190 17.195 -10.258 1.00 0.00 H new ATOM 896 N ASN A 61 -15.982 14.012 -8.780 1.00 0.00 N ATOM 897 CA ASN A 61 -17.000 13.387 -9.617 1.00 0.00 C ATOM 898 C ASN A 61 -17.698 12.255 -8.870 1.00 0.00 C ATOM 899 O ASN A 61 -18.425 11.461 -9.466 1.00 0.00 O ATOM 900 CB ASN A 61 -16.373 12.852 -10.906 1.00 0.00 C ATOM 901 CG ASN A 61 -17.391 12.187 -11.811 1.00 0.00 C ATOM 902 OD1 ASN A 61 -18.474 12.723 -12.045 1.00 0.00 O ATOM 903 ND2 ASN A 61 -17.047 11.011 -12.324 1.00 0.00 N ATOM 0 H ASN A 61 -15.344 13.355 -8.331 1.00 0.00 H new ATOM 0 HA ASN A 61 -17.742 14.144 -9.869 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -15.895 13.672 -11.442 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -15.590 12.136 -10.656 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -17.692 10.515 -12.939 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -16.138 10.604 -12.103 1.00 0.00 H new ATOM 910 N GLN A 62 -17.474 12.190 -7.561 1.00 0.00 N ATOM 911 CA GLN A 62 -18.081 11.155 -6.733 1.00 0.00 C ATOM 912 C GLN A 62 -18.201 9.843 -7.501 1.00 0.00 C ATOM 913 O GLN A 62 -19.247 9.196 -7.483 1.00 0.00 O ATOM 914 CB GLN A 62 -19.461 11.604 -6.250 1.00 0.00 C ATOM 915 CG GLN A 62 -19.412 12.720 -5.219 1.00 0.00 C ATOM 916 CD GLN A 62 -20.774 13.032 -4.630 1.00 0.00 C ATOM 917 OE1 GLN A 62 -21.806 12.695 -5.211 1.00 0.00 O ATOM 918 NE2 GLN A 62 -20.784 13.679 -3.471 1.00 0.00 N ATOM 0 H GLN A 62 -16.877 12.842 -7.052 1.00 0.00 H new ATOM 0 HA GLN A 62 -17.436 10.991 -5.870 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -20.046 11.938 -7.107 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -19.983 10.748 -5.822 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -18.730 12.439 -4.417 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -19.006 13.619 -5.682 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -19.905 13.939 -3.024 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -21.671 13.916 -3.027 1.00 0.00 H new ATOM 927 N GLN A 63 -17.122 9.457 -8.176 1.00 0.00 N ATOM 928 CA GLN A 63 -17.107 8.223 -8.951 1.00 0.00 C ATOM 929 C GLN A 63 -16.201 7.182 -8.301 1.00 0.00 C ATOM 930 O GLN A 63 -15.231 7.526 -7.625 1.00 0.00 O ATOM 931 CB GLN A 63 -16.641 8.500 -10.382 1.00 0.00 C ATOM 932 CG GLN A 63 -16.634 7.266 -11.269 1.00 0.00 C ATOM 933 CD GLN A 63 -16.004 7.524 -12.623 1.00 0.00 C ATOM 934 OE1 GLN A 63 -15.787 8.673 -13.011 1.00 0.00 O ATOM 935 NE2 GLN A 63 -15.705 6.454 -13.352 1.00 0.00 N ATOM 0 H GLN A 63 -16.248 9.982 -8.201 1.00 0.00 H new ATOM 0 HA GLN A 63 -18.123 7.828 -8.977 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -17.291 9.254 -10.827 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -15.636 8.922 -10.353 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -16.091 6.465 -10.767 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -17.657 6.918 -11.409 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -15.902 5.520 -12.992 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -15.279 6.566 -14.272 1.00 0.00 H new ATOM 944 N ILE A 64 -16.524 5.911 -8.510 1.00 0.00 N ATOM 945 CA ILE A 64 -15.738 4.821 -7.945 1.00 0.00 C ATOM 946 C ILE A 64 -15.292 3.845 -9.029 1.00 0.00 C ATOM 947 O ILE A 64 -16.115 3.292 -9.759 1.00 0.00 O ATOM 948 CB ILE A 64 -16.532 4.052 -6.873 1.00 0.00 C ATOM 949 CG1 ILE A 64 -16.894 4.980 -5.711 1.00 0.00 C ATOM 950 CG2 ILE A 64 -15.731 2.858 -6.375 1.00 0.00 C ATOM 951 CD1 ILE A 64 -17.907 4.387 -4.757 1.00 0.00 C ATOM 0 H ILE A 64 -17.324 5.610 -9.066 1.00 0.00 H new ATOM 0 HA ILE A 64 -14.860 5.272 -7.482 1.00 0.00 H new ATOM 0 HB ILE A 64 -17.455 3.684 -7.320 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -15.988 5.227 -5.158 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -17.288 5.914 -6.112 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -16.306 2.325 -5.618 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -15.520 2.188 -7.209 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -14.793 3.205 -5.941 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -18.116 5.100 -3.959 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -18.828 4.165 -5.296 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -17.508 3.468 -4.328 1.00 0.00 H new ATOM 963 N THR A 65 -13.983 3.636 -9.127 1.00 0.00 N ATOM 964 CA THR A 65 -13.427 2.727 -10.121 1.00 0.00 C ATOM 965 C THR A 65 -12.518 1.691 -9.470 1.00 0.00 C ATOM 966 O THR A 65 -11.349 1.949 -9.182 1.00 0.00 O ATOM 967 CB THR A 65 -12.630 3.489 -11.196 1.00 0.00 C ATOM 968 OG1 THR A 65 -13.424 4.553 -11.732 1.00 0.00 O ATOM 969 CG2 THR A 65 -12.203 2.554 -12.318 1.00 0.00 C ATOM 0 H THR A 65 -13.288 4.084 -8.530 1.00 0.00 H new ATOM 0 HA THR A 65 -14.269 2.222 -10.594 1.00 0.00 H new ATOM 0 HB THR A 65 -11.736 3.902 -10.729 1.00 0.00 H new ATOM 0 HG1 THR A 65 -12.910 5.034 -12.414 1.00 0.00 H new ATOM 0 HG21 THR A 65 -11.642 3.115 -13.065 1.00 0.00 H new ATOM 0 HG22 THR A 65 -11.575 1.761 -11.912 1.00 0.00 H new ATOM 0 HG23 THR A 65 -13.086 2.115 -12.782 1.00 0.00 H new ATOM 977 N PRO A 66 -13.064 0.489 -9.232 1.00 0.00 N ATOM 978 CA PRO A 66 -12.318 -0.611 -8.613 1.00 0.00 C ATOM 979 C PRO A 66 -11.243 -1.174 -9.536 1.00 0.00 C ATOM 980 O PRO A 66 -11.446 -1.287 -10.744 1.00 0.00 O ATOM 981 CB PRO A 66 -13.397 -1.663 -8.344 1.00 0.00 C ATOM 982 CG PRO A 66 -14.463 -1.378 -9.345 1.00 0.00 C ATOM 983 CD PRO A 66 -14.452 0.112 -9.548 1.00 0.00 C ATOM 0 HA PRO A 66 -11.784 -0.290 -7.719 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -13.003 -2.673 -8.462 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -13.779 -1.587 -7.326 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -14.269 -1.901 -10.281 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -15.435 -1.716 -8.987 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -14.718 0.380 -10.570 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -15.164 0.612 -8.891 1.00 0.00 H new ATOM 991 N GLY A 67 -10.099 -1.527 -8.958 1.00 0.00 N ATOM 992 CA GLY A 67 -9.009 -2.074 -9.744 1.00 0.00 C ATOM 993 C GLY A 67 -8.944 -3.587 -9.671 1.00 0.00 C ATOM 994 O GLY A 67 -9.897 -4.252 -9.265 1.00 0.00 O ATOM 0 H GLY A 67 -9.908 -1.444 -7.960 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -9.126 -1.768 -10.784 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -8.066 -1.655 -9.393 1.00 0.00 H new ATOM 998 N PRO A 68 -7.797 -4.154 -10.074 1.00 0.00 N ATOM 999 CA PRO A 68 -7.585 -5.605 -10.062 1.00 0.00 C ATOM 1000 C PRO A 68 -7.479 -6.164 -8.648 1.00 0.00 C ATOM 1001 O PRO A 68 -7.778 -7.333 -8.409 1.00 0.00 O ATOM 1002 CB PRO A 68 -6.257 -5.774 -10.805 1.00 0.00 C ATOM 1003 CG PRO A 68 -5.548 -4.478 -10.615 1.00 0.00 C ATOM 1004 CD PRO A 68 -6.619 -3.423 -10.570 1.00 0.00 C ATOM 0 HA PRO A 68 -8.416 -6.143 -10.518 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -5.679 -6.604 -10.399 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -6.419 -5.985 -11.862 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -4.966 -4.483 -9.693 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -4.850 -4.291 -11.431 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -6.347 -2.602 -9.907 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -6.799 -2.991 -11.554 1.00 0.00 H new ATOM 1012 N ALA A 69 -7.052 -5.321 -7.713 1.00 0.00 N ATOM 1013 CA ALA A 69 -6.910 -5.731 -6.322 1.00 0.00 C ATOM 1014 C ALA A 69 -8.222 -5.565 -5.564 1.00 0.00 C ATOM 1015 O ALA A 69 -8.227 -5.305 -4.360 1.00 0.00 O ATOM 1016 CB ALA A 69 -5.804 -4.933 -5.647 1.00 0.00 C ATOM 0 H ALA A 69 -6.798 -4.350 -7.894 1.00 0.00 H new ATOM 0 HA ALA A 69 -6.643 -6.788 -6.306 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -5.709 -5.250 -4.608 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -4.862 -5.106 -6.167 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -6.048 -3.871 -5.682 1.00 0.00 H new ATOM 1022 N TYR A 70 -9.334 -5.716 -6.275 1.00 0.00 N ATOM 1023 CA TYR A 70 -10.653 -5.579 -5.669 1.00 0.00 C ATOM 1024 C TYR A 70 -11.344 -6.935 -5.557 1.00 0.00 C ATOM 1025 O TYR A 70 -11.353 -7.720 -6.505 1.00 0.00 O ATOM 1026 CB TYR A 70 -11.518 -4.621 -6.490 1.00 0.00 C ATOM 1027 CG TYR A 70 -12.620 -3.963 -5.690 1.00 0.00 C ATOM 1028 CD1 TYR A 70 -12.330 -3.214 -4.556 1.00 0.00 C ATOM 1029 CD2 TYR A 70 -13.951 -4.091 -6.069 1.00 0.00 C ATOM 1030 CE1 TYR A 70 -13.334 -2.613 -3.822 1.00 0.00 C ATOM 1031 CE2 TYR A 70 -14.961 -3.491 -5.341 1.00 0.00 C ATOM 1032 CZ TYR A 70 -14.648 -2.754 -4.219 1.00 0.00 C ATOM 1033 OH TYR A 70 -15.650 -2.155 -3.491 1.00 0.00 O ATOM 0 H TYR A 70 -9.348 -5.933 -7.271 1.00 0.00 H new ATOM 0 HA TYR A 70 -10.523 -5.172 -4.666 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -10.881 -3.848 -6.920 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -11.961 -5.168 -7.322 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -11.303 -3.100 -4.243 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -14.200 -4.669 -6.947 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -13.092 -2.036 -2.942 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -15.990 -3.599 -5.650 1.00 0.00 H new ATOM 0 HH TYR A 70 -15.377 -2.089 -2.552 1.00 0.00 H new ATOM 1043 N SER A 71 -11.923 -7.202 -4.391 1.00 0.00 N ATOM 1044 CA SER A 71 -12.614 -8.464 -4.151 1.00 0.00 C ATOM 1045 C SER A 71 -14.024 -8.219 -3.624 1.00 0.00 C ATOM 1046 O SER A 71 -14.740 -9.157 -3.275 1.00 0.00 O ATOM 1047 CB SER A 71 -11.827 -9.320 -3.158 1.00 0.00 C ATOM 1048 OG SER A 71 -10.539 -9.630 -3.660 1.00 0.00 O ATOM 0 H SER A 71 -11.928 -6.561 -3.597 1.00 0.00 H new ATOM 0 HA SER A 71 -12.687 -8.996 -5.099 1.00 0.00 H new ATOM 0 HB2 SER A 71 -11.733 -8.790 -2.210 1.00 0.00 H new ATOM 0 HB3 SER A 71 -12.373 -10.241 -2.955 1.00 0.00 H new ATOM 0 HG SER A 71 -10.056 -10.176 -3.006 1.00 0.00 H new ATOM 1054 N ASN A 72 -14.417 -6.950 -3.568 1.00 0.00 N ATOM 1055 CA ASN A 72 -15.741 -6.580 -3.082 1.00 0.00 C ATOM 1056 C ASN A 72 -15.819 -6.709 -1.564 1.00 0.00 C ATOM 1057 O ASN A 72 -16.857 -7.078 -1.015 1.00 0.00 O ATOM 1058 CB ASN A 72 -16.810 -7.458 -3.735 1.00 0.00 C ATOM 1059 CG ASN A 72 -18.153 -6.759 -3.832 1.00 0.00 C ATOM 1060 OD1 ASN A 72 -18.384 -5.742 -3.179 1.00 0.00 O ATOM 1061 ND2 ASN A 72 -19.045 -7.304 -4.651 1.00 0.00 N ATOM 0 H ASN A 72 -13.837 -6.161 -3.853 1.00 0.00 H new ATOM 0 HA ASN A 72 -15.921 -5.539 -3.350 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -16.480 -7.745 -4.733 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -16.923 -8.377 -3.160 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -19.966 -6.878 -4.758 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -18.809 -8.148 -5.173 1.00 0.00 H new ATOM 1068 N ARG A 73 -14.715 -6.401 -0.892 1.00 0.00 N ATOM 1069 CA ARG A 73 -14.658 -6.483 0.562 1.00 0.00 C ATOM 1070 C ARG A 73 -14.197 -5.159 1.164 1.00 0.00 C ATOM 1071 O ARG A 73 -14.528 -4.836 2.304 1.00 0.00 O ATOM 1072 CB ARG A 73 -13.714 -7.607 0.995 1.00 0.00 C ATOM 1073 CG ARG A 73 -14.069 -8.962 0.403 1.00 0.00 C ATOM 1074 CD ARG A 73 -13.544 -10.100 1.264 1.00 0.00 C ATOM 1075 NE ARG A 73 -12.187 -10.489 0.889 1.00 0.00 N ATOM 1076 CZ ARG A 73 -11.097 -9.886 1.350 1.00 0.00 C ATOM 1077 NH1 ARG A 73 -11.203 -8.873 2.198 1.00 0.00 N ATOM 1078 NH2 ARG A 73 -9.896 -10.298 0.962 1.00 0.00 N ATOM 0 H ARG A 73 -13.848 -6.092 -1.331 1.00 0.00 H new ATOM 0 HA ARG A 73 -15.662 -6.699 0.927 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -12.696 -7.348 0.703 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -13.725 -7.681 2.082 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -15.152 -9.046 0.307 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -13.653 -9.042 -0.601 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -13.558 -9.799 2.311 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -14.207 -10.960 1.171 1.00 0.00 H new ATOM 0 HE ARG A 73 -12.070 -11.266 0.238 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -12.124 -8.554 2.499 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -10.364 -8.412 2.550 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -9.810 -11.078 0.310 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -9.059 -9.835 1.316 1.00 0.00 H new ATOM 1092 N GLU A 74 -13.432 -4.397 0.388 1.00 0.00 N ATOM 1093 CA GLU A 74 -12.926 -3.108 0.846 1.00 0.00 C ATOM 1094 C GLU A 74 -13.898 -1.985 0.494 1.00 0.00 C ATOM 1095 O GLU A 74 -14.581 -2.037 -0.529 1.00 0.00 O ATOM 1096 CB GLU A 74 -11.556 -2.824 0.226 1.00 0.00 C ATOM 1097 CG GLU A 74 -10.461 -3.757 0.715 1.00 0.00 C ATOM 1098 CD GLU A 74 -10.483 -5.101 0.012 1.00 0.00 C ATOM 1099 OE1 GLU A 74 -10.079 -5.160 -1.168 1.00 0.00 O ATOM 1100 OE2 GLU A 74 -10.905 -6.094 0.642 1.00 0.00 O ATOM 0 H GLU A 74 -13.150 -4.649 -0.559 1.00 0.00 H new ATOM 0 HA GLU A 74 -12.825 -3.151 1.930 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -11.633 -2.905 -0.858 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -11.272 -1.796 0.449 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.491 -3.286 0.559 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -10.572 -3.911 1.788 1.00 0.00 H new ATOM 1107 N THR A 75 -13.955 -0.970 1.351 1.00 0.00 N ATOM 1108 CA THR A 75 -14.844 0.164 1.133 1.00 0.00 C ATOM 1109 C THR A 75 -14.165 1.475 1.515 1.00 0.00 C ATOM 1110 O THR A 75 -13.743 1.656 2.657 1.00 0.00 O ATOM 1111 CB THR A 75 -16.147 0.020 1.941 1.00 0.00 C ATOM 1112 OG1 THR A 75 -16.856 -1.152 1.521 1.00 0.00 O ATOM 1113 CG2 THR A 75 -17.032 1.244 1.764 1.00 0.00 C ATOM 0 H THR A 75 -13.396 -0.910 2.202 1.00 0.00 H new ATOM 0 HA THR A 75 -15.084 0.178 0.070 1.00 0.00 H new ATOM 0 HB THR A 75 -15.887 -0.071 2.996 1.00 0.00 H new ATOM 0 HG1 THR A 75 -17.683 -1.238 2.040 1.00 0.00 H new ATOM 0 HG21 THR A 75 -17.946 1.119 2.344 1.00 0.00 H new ATOM 0 HG22 THR A 75 -16.501 2.130 2.111 1.00 0.00 H new ATOM 0 HG23 THR A 75 -17.284 1.361 0.710 1.00 0.00 H new ATOM 1121 N ILE A 76 -14.065 2.386 0.553 1.00 0.00 N ATOM 1122 CA ILE A 76 -13.440 3.681 0.790 1.00 0.00 C ATOM 1123 C ILE A 76 -14.311 4.557 1.685 1.00 0.00 C ATOM 1124 O ILE A 76 -15.476 4.246 1.930 1.00 0.00 O ATOM 1125 CB ILE A 76 -13.168 4.425 -0.531 1.00 0.00 C ATOM 1126 CG1 ILE A 76 -12.948 3.426 -1.668 1.00 0.00 C ATOM 1127 CG2 ILE A 76 -11.964 5.343 -0.384 1.00 0.00 C ATOM 1128 CD1 ILE A 76 -14.212 3.084 -2.425 1.00 0.00 C ATOM 0 H ILE A 76 -14.409 2.251 -0.398 1.00 0.00 H new ATOM 0 HA ILE A 76 -12.491 3.487 1.290 1.00 0.00 H new ATOM 0 HB ILE A 76 -14.038 5.036 -0.773 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -12.217 3.836 -2.365 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -12.520 2.511 -1.259 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -11.785 5.862 -1.326 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -12.157 6.074 0.401 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -11.086 4.752 -0.122 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -13.981 2.371 -3.216 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -14.938 2.644 -1.741 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -14.630 3.990 -2.864 1.00 0.00 H new ATOM 1140 N TYR A 77 -13.738 5.653 2.167 1.00 0.00 N ATOM 1141 CA TYR A 77 -14.461 6.575 3.036 1.00 0.00 C ATOM 1142 C TYR A 77 -14.218 8.022 2.617 1.00 0.00 C ATOM 1143 O TYR A 77 -13.254 8.340 1.921 1.00 0.00 O ATOM 1144 CB TYR A 77 -14.038 6.375 4.492 1.00 0.00 C ATOM 1145 CG TYR A 77 -14.840 5.318 5.216 1.00 0.00 C ATOM 1146 CD1 TYR A 77 -14.736 3.978 4.867 1.00 0.00 C ATOM 1147 CD2 TYR A 77 -15.703 5.661 6.251 1.00 0.00 C ATOM 1148 CE1 TYR A 77 -15.468 3.009 5.526 1.00 0.00 C ATOM 1149 CE2 TYR A 77 -16.438 4.698 6.916 1.00 0.00 C ATOM 1150 CZ TYR A 77 -16.317 3.374 6.550 1.00 0.00 C ATOM 1151 OH TYR A 77 -17.047 2.412 7.209 1.00 0.00 O ATOM 0 H TYR A 77 -12.775 5.926 1.971 1.00 0.00 H new ATOM 0 HA TYR A 77 -15.526 6.363 2.943 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -12.983 6.102 4.521 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -14.137 7.322 5.023 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -14.071 3.688 4.067 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -15.800 6.697 6.540 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -15.376 1.971 5.241 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -17.104 4.981 7.718 1.00 0.00 H new ATOM 0 HH TYR A 77 -17.594 2.835 7.903 1.00 0.00 H new ATOM 1161 N PRO A 78 -15.114 8.920 3.052 1.00 0.00 N ATOM 1162 CA PRO A 78 -15.019 10.349 2.737 1.00 0.00 C ATOM 1163 C PRO A 78 -13.851 11.023 3.448 1.00 0.00 C ATOM 1164 O PRO A 78 -13.652 12.231 3.326 1.00 0.00 O ATOM 1165 CB PRO A 78 -16.350 10.912 3.241 1.00 0.00 C ATOM 1166 CG PRO A 78 -16.782 9.967 4.309 1.00 0.00 C ATOM 1167 CD PRO A 78 -16.288 8.611 3.886 1.00 0.00 C ATOM 0 HA PRO A 78 -14.842 10.522 1.675 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -16.230 11.922 3.632 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -17.086 10.966 2.439 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -16.363 10.251 5.274 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -17.867 9.971 4.418 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -16.020 7.995 4.745 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -17.046 8.064 3.326 1.00 0.00 H new ATOM 1175 N ASN A 79 -13.082 10.234 4.191 1.00 0.00 N ATOM 1176 CA ASN A 79 -11.933 10.756 4.922 1.00 0.00 C ATOM 1177 C ASN A 79 -10.648 10.060 4.485 1.00 0.00 C ATOM 1178 O ASN A 79 -9.650 10.065 5.206 1.00 0.00 O ATOM 1179 CB ASN A 79 -12.136 10.576 6.428 1.00 0.00 C ATOM 1180 CG ASN A 79 -11.389 11.617 7.240 1.00 0.00 C ATOM 1181 OD1 ASN A 79 -11.479 12.814 6.968 1.00 0.00 O ATOM 1182 ND2 ASN A 79 -10.647 11.163 8.244 1.00 0.00 N ATOM 0 H ASN A 79 -13.233 9.232 4.303 1.00 0.00 H new ATOM 0 HA ASN A 79 -11.844 11.819 4.698 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -13.200 10.634 6.658 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -11.801 9.581 6.721 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -10.122 11.816 8.826 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -10.602 10.162 8.433 1.00 0.00 H new ATOM 1189 N ALA A 80 -10.679 9.463 3.298 1.00 0.00 N ATOM 1190 CA ALA A 80 -9.517 8.765 2.763 1.00 0.00 C ATOM 1191 C ALA A 80 -9.223 7.498 3.558 1.00 0.00 C ATOM 1192 O ALA A 80 -8.081 7.041 3.617 1.00 0.00 O ATOM 1193 CB ALA A 80 -8.304 9.683 2.762 1.00 0.00 C ATOM 0 H ALA A 80 -11.497 9.449 2.689 1.00 0.00 H new ATOM 0 HA ALA A 80 -9.740 8.474 1.736 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -7.443 9.148 2.360 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -8.510 10.557 2.144 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -8.089 10.002 3.782 1.00 0.00 H new ATOM 1199 N SER A 81 -10.260 6.934 4.170 1.00 0.00 N ATOM 1200 CA SER A 81 -10.111 5.722 4.966 1.00 0.00 C ATOM 1201 C SER A 81 -10.682 4.514 4.229 1.00 0.00 C ATOM 1202 O SER A 81 -11.635 4.636 3.457 1.00 0.00 O ATOM 1203 CB SER A 81 -10.809 5.885 6.317 1.00 0.00 C ATOM 1204 OG SER A 81 -10.411 7.086 6.955 1.00 0.00 O ATOM 0 H SER A 81 -11.212 7.297 4.129 1.00 0.00 H new ATOM 0 HA SER A 81 -9.047 5.555 5.132 1.00 0.00 H new ATOM 0 HB2 SER A 81 -11.890 5.886 6.174 1.00 0.00 H new ATOM 0 HB3 SER A 81 -10.573 5.034 6.957 1.00 0.00 H new ATOM 0 HG SER A 81 -11.188 7.502 7.383 1.00 0.00 H new ATOM 1210 N LEU A 82 -10.093 3.349 4.471 1.00 0.00 N ATOM 1211 CA LEU A 82 -10.542 2.117 3.831 1.00 0.00 C ATOM 1212 C LEU A 82 -10.942 1.077 4.872 1.00 0.00 C ATOM 1213 O LEU A 82 -10.153 0.726 5.751 1.00 0.00 O ATOM 1214 CB LEU A 82 -9.440 1.556 2.930 1.00 0.00 C ATOM 1215 CG LEU A 82 -9.845 0.402 2.013 1.00 0.00 C ATOM 1216 CD1 LEU A 82 -10.339 0.931 0.676 1.00 0.00 C ATOM 1217 CD2 LEU A 82 -8.679 -0.555 1.812 1.00 0.00 C ATOM 0 H LEU A 82 -9.303 3.231 5.106 1.00 0.00 H new ATOM 0 HA LEU A 82 -11.416 2.350 3.223 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -9.056 2.367 2.312 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -8.618 1.220 3.562 1.00 0.00 H new ATOM 0 HG LEU A 82 -10.660 -0.145 2.488 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -10.623 0.095 0.036 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -11.204 1.575 0.837 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -9.545 1.503 0.195 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -8.986 -1.370 1.157 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -7.844 -0.021 1.360 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -8.371 -0.961 2.776 1.00 0.00 H new ATOM 1229 N LEU A 83 -12.171 0.584 4.766 1.00 0.00 N ATOM 1230 CA LEU A 83 -12.677 -0.419 5.698 1.00 0.00 C ATOM 1231 C LEU A 83 -12.476 -1.826 5.144 1.00 0.00 C ATOM 1232 O LEU A 83 -13.120 -2.218 4.172 1.00 0.00 O ATOM 1233 CB LEU A 83 -14.160 -0.177 5.983 1.00 0.00 C ATOM 1234 CG LEU A 83 -14.904 -1.317 6.679 1.00 0.00 C ATOM 1235 CD1 LEU A 83 -14.587 -1.331 8.167 1.00 0.00 C ATOM 1236 CD2 LEU A 83 -16.404 -1.192 6.453 1.00 0.00 C ATOM 0 H LEU A 83 -12.836 0.862 4.044 1.00 0.00 H new ATOM 0 HA LEU A 83 -12.116 -0.331 6.629 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -14.250 0.718 6.599 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -14.661 0.034 5.038 1.00 0.00 H new ATOM 0 HG LEU A 83 -14.569 -2.260 6.248 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -15.125 -2.149 8.646 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -13.515 -1.469 8.309 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -14.893 -0.385 8.613 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -16.917 -2.012 6.956 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -16.755 -0.242 6.857 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -16.616 -1.232 5.384 1.00 0.00 H new ATOM 1248 N MET A 84 -11.581 -2.581 5.771 1.00 0.00 N ATOM 1249 CA MET A 84 -11.298 -3.946 5.343 1.00 0.00 C ATOM 1250 C MET A 84 -12.183 -4.943 6.086 1.00 0.00 C ATOM 1251 O MET A 84 -12.078 -5.093 7.303 1.00 0.00 O ATOM 1252 CB MET A 84 -9.824 -4.282 5.577 1.00 0.00 C ATOM 1253 CG MET A 84 -9.278 -5.324 4.613 1.00 0.00 C ATOM 1254 SD MET A 84 -7.502 -5.162 4.349 1.00 0.00 S ATOM 1255 CE MET A 84 -7.429 -3.596 3.485 1.00 0.00 C ATOM 0 H MET A 84 -11.039 -2.271 6.577 1.00 0.00 H new ATOM 0 HA MET A 84 -11.515 -4.018 4.277 1.00 0.00 H new ATOM 0 HB2 MET A 84 -9.233 -3.370 5.487 1.00 0.00 H new ATOM 0 HB3 MET A 84 -9.700 -4.643 6.598 1.00 0.00 H new ATOM 0 HG2 MET A 84 -9.495 -6.320 5.000 1.00 0.00 H new ATOM 0 HG3 MET A 84 -9.793 -5.234 3.657 1.00 0.00 H new ATOM 0 HE1 MET A 84 -7.113 -3.763 2.455 1.00 0.00 H new ATOM 0 HE2 MET A 84 -8.415 -3.131 3.491 1.00 0.00 H new ATOM 0 HE3 MET A 84 -6.715 -2.939 3.982 1.00 0.00 H new ATOM 1265 N ARG A 85 -13.054 -5.621 5.345 1.00 0.00 N ATOM 1266 CA ARG A 85 -13.957 -6.601 5.934 1.00 0.00 C ATOM 1267 C ARG A 85 -13.436 -8.019 5.718 1.00 0.00 C ATOM 1268 O ARG A 85 -12.673 -8.275 4.787 1.00 0.00 O ATOM 1269 CB ARG A 85 -15.357 -6.463 5.332 1.00 0.00 C ATOM 1270 CG ARG A 85 -16.112 -5.239 5.822 1.00 0.00 C ATOM 1271 CD ARG A 85 -17.589 -5.317 5.469 1.00 0.00 C ATOM 1272 NE ARG A 85 -17.837 -4.975 4.071 1.00 0.00 N ATOM 1273 CZ ARG A 85 -19.045 -4.967 3.519 1.00 0.00 C ATOM 1274 NH1 ARG A 85 -20.110 -5.281 4.243 1.00 0.00 N ATOM 1275 NH2 ARG A 85 -19.189 -4.644 2.240 1.00 0.00 N ATOM 0 H ARG A 85 -13.153 -5.509 4.336 1.00 0.00 H new ATOM 0 HA ARG A 85 -14.010 -6.411 7.006 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -15.274 -6.417 4.246 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -15.935 -7.356 5.570 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -15.999 -5.149 6.902 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -15.678 -4.342 5.381 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -17.956 -6.324 5.666 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -18.152 -4.641 6.113 1.00 0.00 H new ATOM 0 HE ARG A 85 -17.038 -4.729 3.486 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -20.003 -5.530 5.226 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -21.037 -5.274 3.817 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -18.372 -4.402 1.680 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -20.117 -4.638 1.817 1.00 0.00 H new ATOM 1289 N ASN A 86 -13.854 -8.936 6.584 1.00 0.00 N ATOM 1290 CA ASN A 86 -13.429 -10.328 6.488 1.00 0.00 C ATOM 1291 C ASN A 86 -11.928 -10.422 6.236 1.00 0.00 C ATOM 1292 O ASN A 86 -11.484 -11.102 5.310 1.00 0.00 O ATOM 1293 CB ASN A 86 -14.192 -11.040 5.369 1.00 0.00 C ATOM 1294 CG ASN A 86 -15.619 -11.370 5.761 1.00 0.00 C ATOM 1295 OD1 ASN A 86 -15.899 -11.694 6.915 1.00 0.00 O ATOM 1296 ND2 ASN A 86 -16.531 -11.289 4.798 1.00 0.00 N ATOM 0 H ASN A 86 -14.486 -8.741 7.360 1.00 0.00 H new ATOM 0 HA ASN A 86 -13.651 -10.816 7.437 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -14.199 -10.410 4.480 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -13.669 -11.959 5.104 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -17.508 -11.500 5.002 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -16.254 -11.016 3.855 1.00 0.00 H new ATOM 1303 N VAL A 87 -11.149 -9.736 7.066 1.00 0.00 N ATOM 1304 CA VAL A 87 -9.697 -9.743 6.934 1.00 0.00 C ATOM 1305 C VAL A 87 -9.142 -11.158 7.046 1.00 0.00 C ATOM 1306 O VAL A 87 -9.761 -12.034 7.650 1.00 0.00 O ATOM 1307 CB VAL A 87 -9.032 -8.856 8.004 1.00 0.00 C ATOM 1308 CG1 VAL A 87 -9.341 -7.389 7.749 1.00 0.00 C ATOM 1309 CG2 VAL A 87 -9.485 -9.271 9.396 1.00 0.00 C ATOM 0 H VAL A 87 -11.499 -9.168 7.837 1.00 0.00 H new ATOM 0 HA VAL A 87 -9.467 -9.343 5.947 1.00 0.00 H new ATOM 0 HB VAL A 87 -7.952 -8.991 7.943 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -8.863 -6.778 8.515 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -8.963 -7.103 6.768 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -10.419 -7.233 7.782 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -9.006 -8.634 10.140 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -10.567 -9.167 9.473 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -9.207 -10.310 9.575 1.00 0.00 H new ATOM 1319 N THR A 88 -7.969 -11.376 6.459 1.00 0.00 N ATOM 1320 CA THR A 88 -7.330 -12.685 6.491 1.00 0.00 C ATOM 1321 C THR A 88 -5.841 -12.562 6.793 1.00 0.00 C ATOM 1322 O THR A 88 -5.234 -11.517 6.560 1.00 0.00 O ATOM 1323 CB THR A 88 -7.511 -13.432 5.157 1.00 0.00 C ATOM 1324 OG1 THR A 88 -7.096 -12.599 4.068 1.00 0.00 O ATOM 1325 CG2 THR A 88 -8.962 -13.845 4.961 1.00 0.00 C ATOM 0 H THR A 88 -7.442 -10.662 5.956 1.00 0.00 H new ATOM 0 HA THR A 88 -7.814 -13.253 7.285 1.00 0.00 H new ATOM 0 HB THR A 88 -6.894 -14.330 5.183 1.00 0.00 H new ATOM 0 HG1 THR A 88 -7.213 -13.082 3.224 1.00 0.00 H new ATOM 0 HG21 THR A 88 -9.066 -14.371 4.012 1.00 0.00 H new ATOM 0 HG22 THR A 88 -9.266 -14.502 5.775 1.00 0.00 H new ATOM 0 HG23 THR A 88 -9.595 -12.958 4.955 1.00 0.00 H new ATOM 1333 N ARG A 89 -5.256 -13.637 7.313 1.00 0.00 N ATOM 1334 CA ARG A 89 -3.837 -13.649 7.647 1.00 0.00 C ATOM 1335 C ARG A 89 -2.995 -13.193 6.460 1.00 0.00 C ATOM 1336 O ARG A 89 -1.918 -12.625 6.632 1.00 0.00 O ATOM 1337 CB ARG A 89 -3.406 -15.050 8.084 1.00 0.00 C ATOM 1338 CG ARG A 89 -3.611 -16.111 7.015 1.00 0.00 C ATOM 1339 CD ARG A 89 -3.790 -17.492 7.627 1.00 0.00 C ATOM 1340 NE ARG A 89 -3.578 -18.556 6.649 1.00 0.00 N ATOM 1341 CZ ARG A 89 -3.278 -19.807 6.978 1.00 0.00 C ATOM 1342 NH1 ARG A 89 -3.156 -20.150 8.253 1.00 0.00 N ATOM 1343 NH2 ARG A 89 -3.100 -20.719 6.031 1.00 0.00 N ATOM 0 H ARG A 89 -5.743 -14.511 7.512 1.00 0.00 H new ATOM 0 HA ARG A 89 -3.678 -12.954 8.471 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -2.353 -15.026 8.363 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -3.966 -15.332 8.976 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -4.487 -15.861 6.416 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -2.755 -16.119 6.340 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -3.091 -17.615 8.454 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -4.794 -17.577 8.043 1.00 0.00 H new ATOM 0 HE ARG A 89 -3.665 -18.325 5.659 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -3.293 -19.452 8.984 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -2.925 -21.112 8.503 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -3.194 -20.459 5.049 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -2.870 -21.680 6.285 1.00 0.00 H new ATOM 1357 N ASN A 90 -3.495 -13.446 5.254 1.00 0.00 N ATOM 1358 CA ASN A 90 -2.788 -13.063 4.038 1.00 0.00 C ATOM 1359 C ASN A 90 -2.774 -11.546 3.872 1.00 0.00 C ATOM 1360 O ASN A 90 -1.748 -10.958 3.527 1.00 0.00 O ATOM 1361 CB ASN A 90 -3.441 -13.714 2.817 1.00 0.00 C ATOM 1362 CG ASN A 90 -3.377 -15.229 2.867 1.00 0.00 C ATOM 1363 OD1 ASN A 90 -2.301 -15.819 2.770 1.00 0.00 O ATOM 1364 ND2 ASN A 90 -4.532 -15.865 3.017 1.00 0.00 N ATOM 0 H ASN A 90 -4.387 -13.914 5.094 1.00 0.00 H new ATOM 0 HA ASN A 90 -1.759 -13.412 4.121 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -4.483 -13.399 2.754 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -2.946 -13.362 1.912 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -4.552 -16.884 3.056 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -5.400 -15.335 3.093 1.00 0.00 H new ATOM 1371 N ASP A 91 -3.918 -10.919 4.120 1.00 0.00 N ATOM 1372 CA ASP A 91 -4.038 -9.470 4.000 1.00 0.00 C ATOM 1373 C ASP A 91 -2.856 -8.771 4.663 1.00 0.00 C ATOM 1374 O ASP A 91 -2.345 -7.773 4.153 1.00 0.00 O ATOM 1375 CB ASP A 91 -5.348 -8.992 4.628 1.00 0.00 C ATOM 1376 CG ASP A 91 -6.522 -9.103 3.676 1.00 0.00 C ATOM 1377 OD1 ASP A 91 -6.297 -9.436 2.494 1.00 0.00 O ATOM 1378 OD2 ASP A 91 -7.666 -8.857 4.113 1.00 0.00 O ATOM 0 H ASP A 91 -4.776 -11.391 4.405 1.00 0.00 H new ATOM 0 HA ASP A 91 -4.039 -9.216 2.940 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -5.553 -9.579 5.523 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -5.238 -7.955 4.945 1.00 0.00 H new ATOM 1383 N THR A 92 -2.425 -9.300 5.804 1.00 0.00 N ATOM 1384 CA THR A 92 -1.305 -8.725 6.538 1.00 0.00 C ATOM 1385 C THR A 92 -0.143 -8.404 5.605 1.00 0.00 C ATOM 1386 O THR A 92 0.439 -9.297 4.992 1.00 0.00 O ATOM 1387 CB THR A 92 -0.811 -9.677 7.644 1.00 0.00 C ATOM 1388 OG1 THR A 92 -1.927 -10.200 8.374 1.00 0.00 O ATOM 1389 CG2 THR A 92 0.131 -8.956 8.597 1.00 0.00 C ATOM 0 H THR A 92 -2.835 -10.126 6.240 1.00 0.00 H new ATOM 0 HA THR A 92 -1.666 -7.804 6.995 1.00 0.00 H new ATOM 0 HB THR A 92 -0.269 -10.497 7.172 1.00 0.00 H new ATOM 0 HG1 THR A 92 -2.172 -11.077 8.012 1.00 0.00 H new ATOM 0 HG21 THR A 92 0.467 -9.648 9.369 1.00 0.00 H new ATOM 0 HG22 THR A 92 0.993 -8.583 8.044 1.00 0.00 H new ATOM 0 HG23 THR A 92 -0.391 -8.120 9.061 1.00 0.00 H new ATOM 1397 N GLY A 93 0.190 -7.120 5.502 1.00 0.00 N ATOM 1398 CA GLY A 93 1.282 -6.704 4.642 1.00 0.00 C ATOM 1399 C GLY A 93 1.471 -5.200 4.632 1.00 0.00 C ATOM 1400 O GLY A 93 1.950 -4.622 5.608 1.00 0.00 O ATOM 0 H GLY A 93 -0.277 -6.362 5.999 1.00 0.00 H new ATOM 0 HA2 GLY A 93 2.204 -7.181 4.974 1.00 0.00 H new ATOM 0 HA3 GLY A 93 1.092 -7.050 3.626 1.00 0.00 H new ATOM 1404 N SER A 94 1.097 -4.564 3.527 1.00 0.00 N ATOM 1405 CA SER A 94 1.233 -3.119 3.392 1.00 0.00 C ATOM 1406 C SER A 94 0.184 -2.561 2.435 1.00 0.00 C ATOM 1407 O SER A 94 -0.144 -3.183 1.425 1.00 0.00 O ATOM 1408 CB SER A 94 2.635 -2.762 2.895 1.00 0.00 C ATOM 1409 OG SER A 94 3.622 -3.134 3.841 1.00 0.00 O ATOM 0 H SER A 94 0.697 -5.027 2.711 1.00 0.00 H new ATOM 0 HA SER A 94 1.078 -2.671 4.374 1.00 0.00 H new ATOM 0 HB2 SER A 94 2.827 -3.265 1.947 1.00 0.00 H new ATOM 0 HB3 SER A 94 2.695 -1.690 2.705 1.00 0.00 H new ATOM 0 HG SER A 94 4.326 -3.648 3.394 1.00 0.00 H new ATOM 1415 N TYR A 95 -0.338 -1.384 2.761 1.00 0.00 N ATOM 1416 CA TYR A 95 -1.352 -0.741 1.933 1.00 0.00 C ATOM 1417 C TYR A 95 -1.061 0.748 1.773 1.00 0.00 C ATOM 1418 O TYR A 95 -1.195 1.525 2.719 1.00 0.00 O ATOM 1419 CB TYR A 95 -2.740 -0.939 2.544 1.00 0.00 C ATOM 1420 CG TYR A 95 -3.212 -2.375 2.524 1.00 0.00 C ATOM 1421 CD1 TYR A 95 -2.798 -3.277 3.497 1.00 0.00 C ATOM 1422 CD2 TYR A 95 -4.072 -2.830 1.533 1.00 0.00 C ATOM 1423 CE1 TYR A 95 -3.226 -4.590 3.482 1.00 0.00 C ATOM 1424 CE2 TYR A 95 -4.507 -4.142 1.511 1.00 0.00 C ATOM 1425 CZ TYR A 95 -4.080 -5.018 2.487 1.00 0.00 C ATOM 1426 OH TYR A 95 -4.510 -6.325 2.470 1.00 0.00 O ATOM 0 H TYR A 95 -0.076 -0.855 3.593 1.00 0.00 H new ATOM 0 HA TYR A 95 -1.327 -1.205 0.947 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -2.728 -0.584 3.574 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -3.457 -0.322 2.003 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -2.130 -2.945 4.278 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -4.407 -2.147 0.766 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -2.894 -5.278 4.245 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -5.177 -4.479 0.734 1.00 0.00 H new ATOM 0 HH TYR A 95 -3.878 -6.884 2.968 1.00 0.00 H new ATOM 1436 N THR A 96 -0.663 1.140 0.567 1.00 0.00 N ATOM 1437 CA THR A 96 -0.353 2.535 0.281 1.00 0.00 C ATOM 1438 C THR A 96 -1.610 3.312 -0.093 1.00 0.00 C ATOM 1439 O THR A 96 -2.385 2.884 -0.949 1.00 0.00 O ATOM 1440 CB THR A 96 0.673 2.659 -0.862 1.00 0.00 C ATOM 1441 OG1 THR A 96 1.902 2.027 -0.488 1.00 0.00 O ATOM 1442 CG2 THR A 96 0.931 4.120 -1.201 1.00 0.00 C ATOM 0 H THR A 96 -0.548 0.511 -0.228 1.00 0.00 H new ATOM 0 HA THR A 96 0.074 2.957 1.191 1.00 0.00 H new ATOM 0 HB THR A 96 0.264 2.164 -1.743 1.00 0.00 H new ATOM 0 HG1 THR A 96 2.650 2.477 -0.933 1.00 0.00 H new ATOM 0 HG21 THR A 96 1.658 4.183 -2.010 1.00 0.00 H new ATOM 0 HG22 THR A 96 -0.001 4.591 -1.513 1.00 0.00 H new ATOM 0 HG23 THR A 96 1.321 4.634 -0.322 1.00 0.00 H new ATOM 1450 N LEU A 97 -1.805 4.457 0.552 1.00 0.00 N ATOM 1451 CA LEU A 97 -2.969 5.295 0.286 1.00 0.00 C ATOM 1452 C LEU A 97 -2.547 6.655 -0.262 1.00 0.00 C ATOM 1453 O LEU A 97 -1.978 7.475 0.459 1.00 0.00 O ATOM 1454 CB LEU A 97 -3.791 5.480 1.563 1.00 0.00 C ATOM 1455 CG LEU A 97 -4.966 6.455 1.470 1.00 0.00 C ATOM 1456 CD1 LEU A 97 -4.510 7.872 1.784 1.00 0.00 C ATOM 1457 CD2 LEU A 97 -5.603 6.391 0.090 1.00 0.00 C ATOM 0 H LEU A 97 -1.173 4.826 1.262 1.00 0.00 H new ATOM 0 HA LEU A 97 -3.582 4.796 -0.464 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -4.176 4.507 1.868 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -3.124 5.821 2.355 1.00 0.00 H new ATOM 0 HG LEU A 97 -5.714 6.165 2.208 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -5.359 8.552 1.713 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -4.101 7.907 2.794 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -3.743 8.174 1.071 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -6.437 7.091 0.041 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -4.863 6.656 -0.665 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -5.966 5.380 -0.097 1.00 0.00 H new ATOM 1469 N GLN A 98 -2.832 6.887 -1.539 1.00 0.00 N ATOM 1470 CA GLN A 98 -2.483 8.148 -2.182 1.00 0.00 C ATOM 1471 C GLN A 98 -3.683 9.087 -2.226 1.00 0.00 C ATOM 1472 O GLN A 98 -4.799 8.671 -2.536 1.00 0.00 O ATOM 1473 CB GLN A 98 -1.966 7.895 -3.600 1.00 0.00 C ATOM 1474 CG GLN A 98 -1.787 9.165 -4.417 1.00 0.00 C ATOM 1475 CD GLN A 98 -1.678 8.891 -5.904 1.00 0.00 C ATOM 1476 OE1 GLN A 98 -2.518 8.201 -6.483 1.00 0.00 O ATOM 1477 NE2 GLN A 98 -0.640 9.431 -6.531 1.00 0.00 N ATOM 0 H GLN A 98 -3.303 6.219 -2.149 1.00 0.00 H new ATOM 0 HA GLN A 98 -1.696 8.621 -1.594 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -1.011 7.372 -3.542 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -2.660 7.234 -4.119 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -2.630 9.832 -4.235 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -0.890 9.686 -4.081 1.00 0.00 H new ATOM 0 HE21 GLN A 98 0.032 9.996 -6.012 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -0.514 9.281 -7.532 1.00 0.00 H new ATOM 1486 N VAL A 99 -3.446 10.357 -1.912 1.00 0.00 N ATOM 1487 CA VAL A 99 -4.508 11.357 -1.916 1.00 0.00 C ATOM 1488 C VAL A 99 -4.200 12.481 -2.899 1.00 0.00 C ATOM 1489 O VAL A 99 -3.166 13.141 -2.798 1.00 0.00 O ATOM 1490 CB VAL A 99 -4.718 11.958 -0.514 1.00 0.00 C ATOM 1491 CG1 VAL A 99 -5.921 12.889 -0.507 1.00 0.00 C ATOM 1492 CG2 VAL A 99 -4.881 10.854 0.520 1.00 0.00 C ATOM 0 H VAL A 99 -2.528 10.718 -1.652 1.00 0.00 H new ATOM 0 HA VAL A 99 -5.421 10.848 -2.225 1.00 0.00 H new ATOM 0 HB VAL A 99 -3.836 12.542 -0.252 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -6.054 13.304 0.492 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -5.758 13.699 -1.218 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -6.814 12.332 -0.790 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -5.028 11.297 1.505 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -5.745 10.241 0.265 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -3.986 10.232 0.532 1.00 0.00 H new ATOM 1502 N ILE A 100 -5.105 12.694 -3.848 1.00 0.00 N ATOM 1503 CA ILE A 100 -4.931 13.740 -4.848 1.00 0.00 C ATOM 1504 C ILE A 100 -5.683 15.007 -4.455 1.00 0.00 C ATOM 1505 O ILE A 100 -6.806 14.946 -3.954 1.00 0.00 O ATOM 1506 CB ILE A 100 -5.416 13.279 -6.235 1.00 0.00 C ATOM 1507 CG1 ILE A 100 -4.661 12.022 -6.672 1.00 0.00 C ATOM 1508 CG2 ILE A 100 -5.237 14.392 -7.256 1.00 0.00 C ATOM 1509 CD1 ILE A 100 -5.082 10.775 -5.926 1.00 0.00 C ATOM 0 H ILE A 100 -5.966 12.156 -3.945 1.00 0.00 H new ATOM 0 HA ILE A 100 -3.863 13.954 -4.898 1.00 0.00 H new ATOM 0 HB ILE A 100 -6.477 13.039 -6.171 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -4.817 11.867 -7.740 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -3.593 12.180 -6.525 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -5.584 14.051 -8.231 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -5.816 15.263 -6.949 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -4.183 14.661 -7.320 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -4.506 9.923 -6.287 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -4.900 10.910 -4.860 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -6.144 10.592 -6.093 1.00 0.00 H new ATOM 1521 N LYS A 101 -5.057 16.156 -4.686 1.00 0.00 N ATOM 1522 CA LYS A 101 -5.666 17.439 -4.359 1.00 0.00 C ATOM 1523 C LYS A 101 -6.081 18.182 -5.625 1.00 0.00 C ATOM 1524 O LYS A 101 -5.555 17.926 -6.709 1.00 0.00 O ATOM 1525 CB LYS A 101 -4.693 18.297 -3.548 1.00 0.00 C ATOM 1526 CG LYS A 101 -4.238 17.643 -2.255 1.00 0.00 C ATOM 1527 CD LYS A 101 -3.028 16.751 -2.476 1.00 0.00 C ATOM 1528 CE LYS A 101 -1.729 17.532 -2.352 1.00 0.00 C ATOM 1529 NZ LYS A 101 -1.502 18.012 -0.960 1.00 0.00 N ATOM 0 H LYS A 101 -4.127 16.224 -5.099 1.00 0.00 H new ATOM 0 HA LYS A 101 -6.557 17.248 -3.761 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -3.819 18.518 -4.161 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -5.169 19.250 -3.316 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -3.994 18.413 -1.523 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -5.054 17.053 -1.838 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -3.036 15.939 -1.749 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -3.087 16.295 -3.464 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -0.895 16.901 -2.659 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -1.751 18.384 -3.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -0.480 18.069 -0.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -1.928 18.954 -0.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -1.939 17.349 -0.289 1.00 0.00 H new ATOM 1543 N LEU A 102 -7.026 19.105 -5.481 1.00 0.00 N ATOM 1544 CA LEU A 102 -7.511 19.887 -6.613 1.00 0.00 C ATOM 1545 C LEU A 102 -6.375 20.674 -7.258 1.00 0.00 C ATOM 1546 O LEU A 102 -6.532 21.235 -8.341 1.00 0.00 O ATOM 1547 CB LEU A 102 -8.617 20.843 -6.162 1.00 0.00 C ATOM 1548 CG LEU A 102 -10.003 20.225 -5.976 1.00 0.00 C ATOM 1549 CD1 LEU A 102 -10.800 20.304 -7.269 1.00 0.00 C ATOM 1550 CD2 LEU A 102 -9.886 18.782 -5.507 1.00 0.00 C ATOM 0 H LEU A 102 -7.472 19.330 -4.591 1.00 0.00 H new ATOM 0 HA LEU A 102 -7.916 19.196 -7.353 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -8.314 21.298 -5.219 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -8.695 21.648 -6.893 1.00 0.00 H new ATOM 0 HG LEU A 102 -10.533 20.792 -5.211 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -11.784 19.859 -7.118 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -10.915 21.347 -7.563 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -10.274 19.762 -8.055 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -10.882 18.359 -5.380 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -9.337 18.202 -6.249 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -9.355 18.751 -4.556 1.00 0.00 H new ATOM 1562 N ASN A 103 -5.229 20.709 -6.584 1.00 0.00 N ATOM 1563 CA ASN A 103 -4.066 21.426 -7.092 1.00 0.00 C ATOM 1564 C ASN A 103 -3.236 20.534 -8.011 1.00 0.00 C ATOM 1565 O ASN A 103 -2.062 20.808 -8.266 1.00 0.00 O ATOM 1566 CB ASN A 103 -3.202 21.926 -5.932 1.00 0.00 C ATOM 1567 CG ASN A 103 -2.040 22.779 -6.402 1.00 0.00 C ATOM 1568 OD1 ASN A 103 -2.211 23.686 -7.217 1.00 0.00 O ATOM 1569 ND2 ASN A 103 -0.849 22.491 -5.890 1.00 0.00 N ATOM 0 H ASN A 103 -5.082 20.249 -5.685 1.00 0.00 H new ATOM 0 HA ASN A 103 -4.420 22.281 -7.667 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -3.820 22.505 -5.246 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -2.819 21.072 -5.373 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -0.030 23.030 -6.170 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -0.754 21.730 -5.217 1.00 0.00 H new ATOM 1576 N LEU A 104 -3.853 19.467 -8.505 1.00 0.00 N ATOM 1577 CA LEU A 104 -3.172 18.534 -9.397 1.00 0.00 C ATOM 1578 C LEU A 104 -1.978 17.889 -8.701 1.00 0.00 C ATOM 1579 O LEU A 104 -0.999 17.514 -9.347 1.00 0.00 O ATOM 1580 CB LEU A 104 -2.710 19.255 -10.665 1.00 0.00 C ATOM 1581 CG LEU A 104 -3.804 19.605 -11.674 1.00 0.00 C ATOM 1582 CD1 LEU A 104 -3.208 20.299 -12.889 1.00 0.00 C ATOM 1583 CD2 LEU A 104 -4.564 18.354 -12.092 1.00 0.00 C ATOM 0 H LEU A 104 -4.823 19.226 -8.304 1.00 0.00 H new ATOM 0 HA LEU A 104 -3.878 17.749 -9.670 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -2.206 20.176 -10.372 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -1.969 18.631 -11.164 1.00 0.00 H new ATOM 0 HG LEU A 104 -4.505 20.290 -11.197 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -4.002 20.540 -13.596 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -2.710 21.216 -12.576 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -2.485 19.638 -13.367 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -5.339 18.622 -12.810 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -3.874 17.645 -12.550 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -5.024 17.898 -11.215 1.00 0.00 H new ATOM 1595 N MET A 105 -2.066 17.762 -7.381 1.00 0.00 N ATOM 1596 CA MET A 105 -0.993 17.159 -6.598 1.00 0.00 C ATOM 1597 C MET A 105 -1.447 15.840 -5.981 1.00 0.00 C ATOM 1598 O MET A 105 -2.621 15.479 -6.058 1.00 0.00 O ATOM 1599 CB MET A 105 -0.533 18.119 -5.499 1.00 0.00 C ATOM 1600 CG MET A 105 0.305 19.277 -6.016 1.00 0.00 C ATOM 1601 SD MET A 105 1.994 18.788 -6.416 1.00 0.00 S ATOM 1602 CE MET A 105 2.749 18.817 -4.792 1.00 0.00 C ATOM 0 H MET A 105 -2.869 18.068 -6.831 1.00 0.00 H new ATOM 0 HA MET A 105 -0.156 16.958 -7.267 1.00 0.00 H new ATOM 0 HB2 MET A 105 -1.408 18.516 -4.985 1.00 0.00 H new ATOM 0 HB3 MET A 105 0.046 17.563 -4.761 1.00 0.00 H new ATOM 0 HG2 MET A 105 -0.168 19.695 -6.905 1.00 0.00 H new ATOM 0 HG3 MET A 105 0.328 20.067 -5.266 1.00 0.00 H new ATOM 0 HE1 MET A 105 3.799 18.536 -4.874 1.00 0.00 H new ATOM 0 HE2 MET A 105 2.674 19.821 -4.374 1.00 0.00 H new ATOM 0 HE3 MET A 105 2.235 18.112 -4.139 1.00 0.00 H new ATOM 1612 N SER A 106 -0.509 15.125 -5.368 1.00 0.00 N ATOM 1613 CA SER A 106 -0.812 13.844 -4.740 1.00 0.00 C ATOM 1614 C SER A 106 0.127 13.578 -3.568 1.00 0.00 C ATOM 1615 O SER A 106 1.275 14.021 -3.566 1.00 0.00 O ATOM 1616 CB SER A 106 -0.701 12.713 -5.764 1.00 0.00 C ATOM 1617 OG SER A 106 0.603 12.649 -6.315 1.00 0.00 O ATOM 0 H SER A 106 0.467 15.411 -5.293 1.00 0.00 H new ATOM 0 HA SER A 106 -1.834 13.884 -4.362 1.00 0.00 H new ATOM 0 HB2 SER A 106 -0.945 11.763 -5.289 1.00 0.00 H new ATOM 0 HB3 SER A 106 -1.429 12.867 -6.561 1.00 0.00 H new ATOM 0 HG SER A 106 0.648 11.917 -6.965 1.00 0.00 H new ATOM 1623 N GLU A 107 -0.371 12.852 -2.572 1.00 0.00 N ATOM 1624 CA GLU A 107 0.423 12.528 -1.392 1.00 0.00 C ATOM 1625 C GLU A 107 0.514 11.017 -1.197 1.00 0.00 C ATOM 1626 O GLU A 107 -0.264 10.259 -1.774 1.00 0.00 O ATOM 1627 CB GLU A 107 -0.184 13.178 -0.147 1.00 0.00 C ATOM 1628 CG GLU A 107 -0.173 14.697 -0.188 1.00 0.00 C ATOM 1629 CD GLU A 107 -1.029 15.316 0.901 1.00 0.00 C ATOM 1630 OE1 GLU A 107 -0.513 15.514 2.021 1.00 0.00 O ATOM 1631 OE2 GLU A 107 -2.214 15.602 0.632 1.00 0.00 O ATOM 0 H GLU A 107 -1.320 12.477 -2.558 1.00 0.00 H new ATOM 0 HA GLU A 107 1.429 12.920 -1.543 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -1.212 12.833 -0.032 1.00 0.00 H new ATOM 0 HB3 GLU A 107 0.365 12.842 0.733 1.00 0.00 H new ATOM 0 HG2 GLU A 107 0.852 15.052 -0.085 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -0.531 15.033 -1.161 1.00 0.00 H new ATOM 1638 N GLU A 108 1.472 10.589 -0.380 1.00 0.00 N ATOM 1639 CA GLU A 108 1.666 9.169 -0.109 1.00 0.00 C ATOM 1640 C GLU A 108 1.712 8.903 1.392 1.00 0.00 C ATOM 1641 O GLU A 108 2.290 9.678 2.155 1.00 0.00 O ATOM 1642 CB GLU A 108 2.956 8.674 -0.766 1.00 0.00 C ATOM 1643 CG GLU A 108 2.771 8.219 -2.204 1.00 0.00 C ATOM 1644 CD GLU A 108 4.022 8.406 -3.041 1.00 0.00 C ATOM 1645 OE1 GLU A 108 4.354 9.568 -3.359 1.00 0.00 O ATOM 1646 OE2 GLU A 108 4.669 7.393 -3.377 1.00 0.00 O ATOM 0 H GLU A 108 2.125 11.204 0.105 1.00 0.00 H new ATOM 0 HA GLU A 108 0.820 8.626 -0.531 1.00 0.00 H new ATOM 0 HB2 GLU A 108 3.697 9.473 -0.739 1.00 0.00 H new ATOM 0 HB3 GLU A 108 3.358 7.847 -0.181 1.00 0.00 H new ATOM 0 HG2 GLU A 108 2.485 7.167 -2.214 1.00 0.00 H new ATOM 0 HG3 GLU A 108 1.950 8.777 -2.655 1.00 0.00 H new ATOM 1653 N VAL A 109 1.099 7.800 1.811 1.00 0.00 N ATOM 1654 CA VAL A 109 1.070 7.430 3.221 1.00 0.00 C ATOM 1655 C VAL A 109 0.831 5.934 3.391 1.00 0.00 C ATOM 1656 O VAL A 109 -0.262 5.433 3.125 1.00 0.00 O ATOM 1657 CB VAL A 109 -0.024 8.203 3.982 1.00 0.00 C ATOM 1658 CG1 VAL A 109 -1.300 8.273 3.157 1.00 0.00 C ATOM 1659 CG2 VAL A 109 -0.289 7.558 5.334 1.00 0.00 C ATOM 0 H VAL A 109 0.616 7.147 1.194 1.00 0.00 H new ATOM 0 HA VAL A 109 2.044 7.690 3.637 1.00 0.00 H new ATOM 0 HB VAL A 109 0.327 9.221 4.153 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -2.061 8.823 3.710 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -1.097 8.783 2.215 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -1.657 7.264 2.953 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -1.064 8.117 5.858 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -0.619 6.529 5.188 1.00 0.00 H new ATOM 0 HG23 VAL A 109 0.626 7.565 5.926 1.00 0.00 H new ATOM 1669 N THR A 110 1.862 5.223 3.838 1.00 0.00 N ATOM 1670 CA THR A 110 1.766 3.783 4.044 1.00 0.00 C ATOM 1671 C THR A 110 0.966 3.460 5.300 1.00 0.00 C ATOM 1672 O THR A 110 1.433 3.673 6.418 1.00 0.00 O ATOM 1673 CB THR A 110 3.160 3.137 4.156 1.00 0.00 C ATOM 1674 OG1 THR A 110 4.120 3.914 3.431 1.00 0.00 O ATOM 1675 CG2 THR A 110 3.142 1.714 3.618 1.00 0.00 C ATOM 0 H THR A 110 2.773 5.621 4.064 1.00 0.00 H new ATOM 0 HA THR A 110 1.253 3.373 3.174 1.00 0.00 H new ATOM 0 HB THR A 110 3.438 3.107 5.209 1.00 0.00 H new ATOM 0 HG1 THR A 110 5.004 3.498 3.509 1.00 0.00 H new ATOM 0 HG21 THR A 110 4.137 1.279 3.708 1.00 0.00 H new ATOM 0 HG22 THR A 110 2.432 1.117 4.191 1.00 0.00 H new ATOM 0 HG23 THR A 110 2.844 1.725 2.570 1.00 0.00 H new ATOM 1683 N GLY A 111 -0.244 2.942 5.109 1.00 0.00 N ATOM 1684 CA GLY A 111 -1.090 2.597 6.237 1.00 0.00 C ATOM 1685 C GLY A 111 -1.621 1.179 6.150 1.00 0.00 C ATOM 1686 O GLY A 111 -2.445 0.871 5.290 1.00 0.00 O ATOM 0 H GLY A 111 -0.653 2.755 4.194 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -0.524 2.714 7.161 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -1.927 3.293 6.286 1.00 0.00 H new ATOM 1690 N GLN A 112 -1.147 0.316 7.042 1.00 0.00 N ATOM 1691 CA GLN A 112 -1.578 -1.077 7.061 1.00 0.00 C ATOM 1692 C GLN A 112 -1.789 -1.562 8.491 1.00 0.00 C ATOM 1693 O GLN A 112 -1.686 -0.787 9.442 1.00 0.00 O ATOM 1694 CB GLN A 112 -0.548 -1.961 6.356 1.00 0.00 C ATOM 1695 CG GLN A 112 0.890 -1.544 6.615 1.00 0.00 C ATOM 1696 CD GLN A 112 1.155 -1.237 8.075 1.00 0.00 C ATOM 1697 OE1 GLN A 112 0.817 -2.025 8.959 1.00 0.00 O ATOM 1698 NE2 GLN A 112 1.763 -0.086 8.337 1.00 0.00 N ATOM 0 H GLN A 112 -0.465 0.556 7.761 1.00 0.00 H new ATOM 0 HA GLN A 112 -2.528 -1.145 6.530 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -0.683 -2.992 6.682 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -0.736 -1.939 5.283 1.00 0.00 H new ATOM 0 HG2 GLN A 112 1.559 -2.340 6.288 1.00 0.00 H new ATOM 0 HG3 GLN A 112 1.123 -0.664 6.015 1.00 0.00 H new ATOM 0 HE21 GLN A 112 2.026 0.537 7.574 1.00 0.00 H new ATOM 0 HE22 GLN A 112 1.967 0.175 9.302 1.00 0.00 H new ATOM 1707 N PHE A 113 -2.085 -2.850 8.636 1.00 0.00 N ATOM 1708 CA PHE A 113 -2.312 -3.439 9.951 1.00 0.00 C ATOM 1709 C PHE A 113 -1.796 -4.874 10.000 1.00 0.00 C ATOM 1710 O PHE A 113 -1.189 -5.360 9.046 1.00 0.00 O ATOM 1711 CB PHE A 113 -3.802 -3.408 10.297 1.00 0.00 C ATOM 1712 CG PHE A 113 -4.661 -4.149 9.313 1.00 0.00 C ATOM 1713 CD1 PHE A 113 -4.793 -3.697 8.010 1.00 0.00 C ATOM 1714 CD2 PHE A 113 -5.337 -5.298 9.691 1.00 0.00 C ATOM 1715 CE1 PHE A 113 -5.582 -4.377 7.101 1.00 0.00 C ATOM 1716 CE2 PHE A 113 -6.127 -5.983 8.787 1.00 0.00 C ATOM 1717 CZ PHE A 113 -6.251 -5.521 7.491 1.00 0.00 C ATOM 0 H PHE A 113 -2.173 -3.505 7.859 1.00 0.00 H new ATOM 0 HA PHE A 113 -1.764 -2.849 10.686 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -3.946 -3.838 11.288 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -4.134 -2.371 10.348 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -4.273 -2.802 7.701 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -5.246 -5.662 10.704 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -5.675 -4.015 6.088 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -6.647 -6.879 9.094 1.00 0.00 H new ATOM 0 HZ PHE A 113 -6.870 -6.053 6.784 1.00 0.00 H new ATOM 1727 N SER A 114 -2.042 -5.547 11.120 1.00 0.00 N ATOM 1728 CA SER A 114 -1.599 -6.925 11.297 1.00 0.00 C ATOM 1729 C SER A 114 -2.765 -7.823 11.700 1.00 0.00 C ATOM 1730 O SER A 114 -3.547 -7.483 12.587 1.00 0.00 O ATOM 1731 CB SER A 114 -0.496 -6.997 12.354 1.00 0.00 C ATOM 1732 OG SER A 114 0.073 -8.293 12.411 1.00 0.00 O ATOM 0 H SER A 114 -2.546 -5.160 11.918 1.00 0.00 H new ATOM 0 HA SER A 114 -1.203 -7.278 10.345 1.00 0.00 H new ATOM 0 HB2 SER A 114 0.279 -6.266 12.125 1.00 0.00 H new ATOM 0 HB3 SER A 114 -0.905 -6.733 13.329 1.00 0.00 H new ATOM 0 HG SER A 114 0.776 -8.312 13.093 1.00 0.00 H new ATOM 1738 N VAL A 115 -2.874 -8.972 11.040 1.00 0.00 N ATOM 1739 CA VAL A 115 -3.943 -9.920 11.329 1.00 0.00 C ATOM 1740 C VAL A 115 -3.391 -11.197 11.953 1.00 0.00 C ATOM 1741 O VAL A 115 -2.472 -11.817 11.415 1.00 0.00 O ATOM 1742 CB VAL A 115 -4.731 -10.283 10.057 1.00 0.00 C ATOM 1743 CG1 VAL A 115 -5.925 -11.160 10.400 1.00 0.00 C ATOM 1744 CG2 VAL A 115 -5.175 -9.023 9.329 1.00 0.00 C ATOM 0 H VAL A 115 -2.235 -9.268 10.302 1.00 0.00 H new ATOM 0 HA VAL A 115 -4.614 -9.433 12.037 1.00 0.00 H new ATOM 0 HB VAL A 115 -4.076 -10.847 9.393 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -6.470 -11.406 9.488 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -5.578 -12.078 10.874 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -6.585 -10.625 11.083 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -5.731 -9.298 8.432 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -5.813 -8.430 9.984 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -4.300 -8.437 9.048 1.00 0.00 H new ATOM 1754 N HIS A 116 -3.957 -11.586 13.091 1.00 0.00 N ATOM 1755 CA HIS A 116 -3.522 -12.791 13.789 1.00 0.00 C ATOM 1756 C HIS A 116 -4.702 -13.721 14.053 1.00 0.00 C ATOM 1757 O HIS A 116 -5.787 -13.291 14.445 1.00 0.00 O ATOM 1758 CB HIS A 116 -2.840 -12.424 15.107 1.00 0.00 C ATOM 1759 CG HIS A 116 -3.630 -11.465 15.943 1.00 0.00 C ATOM 1760 ND1 HIS A 116 -4.308 -11.842 17.084 1.00 0.00 N ATOM 1761 CD2 HIS A 116 -3.847 -10.137 15.800 1.00 0.00 C ATOM 1762 CE1 HIS A 116 -4.909 -10.787 17.605 1.00 0.00 C ATOM 1763 NE2 HIS A 116 -4.645 -9.739 16.845 1.00 0.00 N ATOM 0 H HIS A 116 -4.718 -11.085 13.549 1.00 0.00 H new ATOM 0 HA HIS A 116 -2.807 -13.313 13.153 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -2.664 -13.334 15.681 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -1.864 -11.988 14.893 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -3.464 -9.507 15.011 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -5.513 -10.782 18.500 1.00 0.00 H new ATOM 0 HE2 HIS A 116 -4.979 -8.789 17.008 1.00 0.00 H new ATOM 1772 N PRO A 117 -4.487 -15.027 13.834 1.00 0.00 N ATOM 1773 CA PRO A 117 -5.521 -16.045 14.042 1.00 0.00 C ATOM 1774 C PRO A 117 -5.848 -16.246 15.518 1.00 0.00 C ATOM 1775 O PRO A 117 -5.040 -15.929 16.390 1.00 0.00 O ATOM 1776 CB PRO A 117 -4.895 -17.312 13.455 1.00 0.00 C ATOM 1777 CG PRO A 117 -3.425 -17.088 13.552 1.00 0.00 C ATOM 1778 CD PRO A 117 -3.219 -15.610 13.366 1.00 0.00 C ATOM 0 HA PRO A 117 -6.467 -15.766 13.577 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -5.198 -18.198 14.013 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -5.205 -17.464 12.421 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -3.043 -17.417 14.518 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -2.892 -17.655 12.789 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -2.371 -15.246 13.947 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -3.022 -15.360 12.323 1.00 0.00 H new