USER MOD reduce.3.24.130724 H: found=0, std=0, add=682, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 681 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 76 HIS : no HD1:sc= -3.86! K(o=-11!,f=-8.5) USER MOD Set 1.2: A 79 GLN : amide:sc= -7.04! C(o=-11!,f=-8.5!) USER MOD Single : A 7 THR OG1 : rot -18:sc= 0.175 USER MOD Single : A 10 SER OG : rot -59:sc= 0.00611 USER MOD Single : A 12 THR OG1 : rot -94:sc= -1.24 USER MOD Single : A 15 HIS : no HE2:sc= -3.68 K(o=-3.7,f=-0.46) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 24 HIS : no HD1:sc= -0.0625 X(o=-0.063,f=-0.015) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 SER OG : rot -56:sc= 0.00512 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 CYS SG : rot 161:sc= 1.22 USER MOD Single : A 41 SER OG : rot 180:sc= -1.05 USER MOD Single : A 45 THR OG1 : rot 174:sc= -2.82 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN : amide:sc= 0.694 K(o=0.69,f=-0.51) USER MOD Single : A 80 GLN : amide:sc= -2! C(o=-2!,f=-2!) USER MOD Single : A 82 TYR OH : rot 90:sc= -0.917 USER MOD Single : A 84 THR OG1 : rot 114:sc= 1.03 USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=-0.024) USER MOD Single : A 91 GLN : amide:sc= -0.0242 X(o=-0.024,f=-0.25) USER MOD Single : A 92 ASN : amide:sc= 0.06 X(o=0.06,f=0) USER MOD Single : A 93 SER OG : rot -7:sc= 0.762! USER MOD ----------------------------------------------------------------- ATOM 66 N THR A 7 -7.491 -0.371 -10.240 1.00 0.00 N ATOM 67 CA THR A 7 -6.117 -0.295 -9.773 1.00 0.00 C ATOM 68 C THR A 7 -6.072 -0.301 -8.244 1.00 0.00 C ATOM 69 O THR A 7 -7.085 -0.063 -7.588 1.00 0.00 O ATOM 70 CB THR A 7 -5.474 0.946 -10.395 1.00 0.00 C ATOM 71 OG1 THR A 7 -6.518 1.916 -10.392 1.00 0.00 O ATOM 72 CG2 THR A 7 -5.146 0.755 -11.877 1.00 0.00 C ATOM 0 HA THR A 7 -5.544 -1.168 -10.087 1.00 0.00 H new ATOM 0 HB THR A 7 -4.563 1.194 -9.851 1.00 0.00 H new ATOM 0 HG1 THR A 7 -7.382 1.466 -10.284 1.00 0.00 H new ATOM 0 HG21 THR A 7 -4.692 1.665 -12.269 1.00 0.00 H new ATOM 0 HG22 THR A 7 -4.450 -0.076 -11.991 1.00 0.00 H new ATOM 0 HG23 THR A 7 -6.062 0.540 -12.428 1.00 0.00 H new ATOM 80 N PRO A 8 -4.855 -0.584 -7.706 1.00 0.00 N ATOM 81 CA PRO A 8 -4.665 -0.624 -6.266 1.00 0.00 C ATOM 82 C PRO A 8 -4.636 0.788 -5.677 1.00 0.00 C ATOM 83 O PRO A 8 -5.338 1.074 -4.708 1.00 0.00 O ATOM 84 CB PRO A 8 -3.362 -1.380 -6.062 1.00 0.00 C ATOM 85 CG PRO A 8 -2.637 -1.328 -7.398 1.00 0.00 C ATOM 86 CD PRO A 8 -3.633 -0.871 -8.451 1.00 0.00 C ATOM 0 HA PRO A 8 -5.484 -1.122 -5.747 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -2.764 -0.922 -5.275 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -3.551 -2.410 -5.760 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -1.792 -0.641 -7.348 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -2.235 -2.309 -7.653 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -3.274 0.013 -8.978 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -3.799 -1.644 -9.201 1.00 0.00 H new ATOM 94 N LEU A 9 -3.817 1.632 -6.287 1.00 0.00 N ATOM 95 CA LEU A 9 -3.688 3.007 -5.835 1.00 0.00 C ATOM 96 C LEU A 9 -5.065 3.672 -5.837 1.00 0.00 C ATOM 97 O LEU A 9 -5.436 4.343 -4.875 1.00 0.00 O ATOM 98 CB LEU A 9 -2.645 3.750 -6.672 1.00 0.00 C ATOM 99 CG LEU A 9 -2.534 5.256 -6.423 1.00 0.00 C ATOM 100 CD1 LEU A 9 -2.371 5.554 -4.932 1.00 0.00 C ATOM 101 CD2 LEU A 9 -1.407 5.868 -7.257 1.00 0.00 C ATOM 0 H LEU A 9 -3.236 1.390 -7.090 1.00 0.00 H new ATOM 0 HA LEU A 9 -3.321 3.038 -4.809 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -1.670 3.298 -6.486 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -2.874 3.592 -7.726 1.00 0.00 H new ATOM 0 HG LEU A 9 -3.464 5.725 -6.745 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.294 6.631 -4.782 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -3.235 5.173 -4.388 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -1.467 5.071 -4.561 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -1.350 6.939 -7.061 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -0.460 5.399 -6.989 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -1.607 5.703 -8.316 1.00 0.00 H new ATOM 113 N SER A 10 -5.787 3.462 -6.928 1.00 0.00 N ATOM 114 CA SER A 10 -7.116 4.032 -7.067 1.00 0.00 C ATOM 115 C SER A 10 -8.075 3.376 -6.071 1.00 0.00 C ATOM 116 O SER A 10 -8.929 4.046 -5.493 1.00 0.00 O ATOM 117 CB SER A 10 -7.639 3.866 -8.495 1.00 0.00 C ATOM 118 OG SER A 10 -8.803 4.654 -8.732 1.00 0.00 O ATOM 0 H SER A 10 -5.476 2.905 -7.724 1.00 0.00 H new ATOM 0 HA SER A 10 -7.054 5.099 -6.852 1.00 0.00 H new ATOM 0 HB2 SER A 10 -6.859 4.149 -9.202 1.00 0.00 H new ATOM 0 HB3 SER A 10 -7.869 2.816 -8.677 1.00 0.00 H new ATOM 0 HG SER A 10 -9.506 4.397 -8.099 1.00 0.00 H new ATOM 124 N LEU A 11 -7.900 2.074 -5.901 1.00 0.00 N ATOM 125 CA LEU A 11 -8.739 1.320 -4.985 1.00 0.00 C ATOM 126 C LEU A 11 -8.462 1.779 -3.552 1.00 0.00 C ATOM 127 O LEU A 11 -9.391 2.048 -2.791 1.00 0.00 O ATOM 128 CB LEU A 11 -8.548 -0.183 -5.197 1.00 0.00 C ATOM 129 CG LEU A 11 -9.381 -0.813 -6.315 1.00 0.00 C ATOM 130 CD1 LEU A 11 -8.763 -2.132 -6.782 1.00 0.00 C ATOM 131 CD2 LEU A 11 -10.839 -0.986 -5.882 1.00 0.00 C ATOM 0 H LEU A 11 -7.190 1.522 -6.382 1.00 0.00 H new ATOM 0 HA LEU A 11 -9.793 1.515 -5.185 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -7.495 -0.369 -5.406 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -8.783 -0.694 -4.263 1.00 0.00 H new ATOM 0 HG LEU A 11 -9.376 -0.134 -7.168 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -9.374 -2.559 -7.577 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -7.756 -1.949 -7.157 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -8.718 -2.829 -5.945 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -11.409 -1.436 -6.695 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -10.884 -1.633 -5.006 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -11.264 -0.013 -5.636 1.00 0.00 H new ATOM 143 N THR A 12 -7.180 1.855 -3.226 1.00 0.00 N ATOM 144 CA THR A 12 -6.769 2.276 -1.898 1.00 0.00 C ATOM 145 C THR A 12 -7.315 3.671 -1.588 1.00 0.00 C ATOM 146 O THR A 12 -7.892 3.894 -0.524 1.00 0.00 O ATOM 147 CB THR A 12 -5.243 2.192 -1.826 1.00 0.00 C ATOM 148 OG1 THR A 12 -4.806 2.745 -3.064 1.00 0.00 O ATOM 149 CG2 THR A 12 -4.734 0.749 -1.862 1.00 0.00 C ATOM 0 H THR A 12 -6.412 1.632 -3.859 1.00 0.00 H new ATOM 0 HA THR A 12 -7.182 1.621 -1.131 1.00 0.00 H new ATOM 0 HB THR A 12 -4.895 2.677 -0.914 1.00 0.00 H new ATOM 0 HG1 THR A 12 -4.675 2.025 -3.716 1.00 0.00 H new ATOM 0 HG21 THR A 12 -3.645 0.746 -1.808 1.00 0.00 H new ATOM 0 HG22 THR A 12 -5.141 0.198 -1.014 1.00 0.00 H new ATOM 0 HG23 THR A 12 -5.053 0.274 -2.790 1.00 0.00 H new ATOM 157 N LEU A 13 -7.115 4.574 -2.536 1.00 0.00 N ATOM 158 CA LEU A 13 -7.580 5.942 -2.378 1.00 0.00 C ATOM 159 C LEU A 13 -9.110 5.957 -2.366 1.00 0.00 C ATOM 160 O LEU A 13 -9.721 6.770 -1.674 1.00 0.00 O ATOM 161 CB LEU A 13 -6.965 6.845 -3.449 1.00 0.00 C ATOM 162 CG LEU A 13 -5.445 7.015 -3.390 1.00 0.00 C ATOM 163 CD1 LEU A 13 -4.882 7.388 -4.763 1.00 0.00 C ATOM 164 CD2 LEU A 13 -5.048 8.028 -2.313 1.00 0.00 C ATOM 0 H LEU A 13 -6.637 4.385 -3.417 1.00 0.00 H new ATOM 0 HA LEU A 13 -7.248 6.349 -1.423 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.228 6.445 -4.428 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -7.424 7.831 -3.373 1.00 0.00 H new ATOM 0 HG LEU A 13 -5.004 6.058 -3.110 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.800 7.503 -4.694 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -5.118 6.601 -5.479 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -5.326 8.326 -5.096 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.963 8.130 -2.292 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.499 8.994 -2.538 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -5.399 7.682 -1.341 1.00 0.00 H new ATOM 176 N ASP A 14 -9.685 5.048 -3.140 1.00 0.00 N ATOM 177 CA ASP A 14 -11.132 4.947 -3.228 1.00 0.00 C ATOM 178 C ASP A 14 -11.694 4.542 -1.863 1.00 0.00 C ATOM 179 O ASP A 14 -12.779 4.976 -1.481 1.00 0.00 O ATOM 180 CB ASP A 14 -11.549 3.884 -4.246 1.00 0.00 C ATOM 181 CG ASP A 14 -11.696 4.387 -5.683 1.00 0.00 C ATOM 182 OD1 ASP A 14 -12.332 5.451 -5.849 1.00 0.00 O ATOM 183 OD2 ASP A 14 -11.170 3.697 -6.582 1.00 0.00 O ATOM 0 H ASP A 14 -9.175 4.375 -3.712 1.00 0.00 H new ATOM 0 HA ASP A 14 -11.520 5.917 -3.540 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -10.813 3.080 -4.232 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -12.498 3.452 -3.929 1.00 0.00 H new ATOM 188 N HIS A 15 -10.929 3.713 -1.167 1.00 0.00 N ATOM 189 CA HIS A 15 -11.337 3.245 0.147 1.00 0.00 C ATOM 190 C HIS A 15 -10.387 3.802 1.208 1.00 0.00 C ATOM 191 O HIS A 15 -10.002 3.092 2.136 1.00 0.00 O ATOM 192 CB HIS A 15 -11.427 1.718 0.174 1.00 0.00 C ATOM 193 CG HIS A 15 -12.644 1.161 -0.526 1.00 0.00 C ATOM 194 ND1 HIS A 15 -13.933 1.564 -0.224 1.00 0.00 N ATOM 195 CD2 HIS A 15 -12.753 0.231 -1.518 1.00 0.00 C ATOM 196 CE1 HIS A 15 -14.773 0.899 -1.004 1.00 0.00 C ATOM 197 NE2 HIS A 15 -14.040 0.073 -1.805 1.00 0.00 N ATOM 0 H HIS A 15 -10.030 3.354 -1.488 1.00 0.00 H new ATOM 0 HA HIS A 15 -12.337 3.615 0.375 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -10.532 1.303 -0.290 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -11.432 1.383 1.211 1.00 0.00 H new ATOM 0 HD1 HIS A 15 -14.192 2.255 0.480 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -11.932 -0.289 -1.990 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -15.849 0.994 -1.005 1.00 0.00 H new ATOM 205 N TRP A 16 -10.036 5.068 1.037 1.00 0.00 N ATOM 206 CA TRP A 16 -9.139 5.729 1.969 1.00 0.00 C ATOM 207 C TRP A 16 -9.683 5.515 3.382 1.00 0.00 C ATOM 208 O TRP A 16 -8.917 5.319 4.324 1.00 0.00 O ATOM 209 CB TRP A 16 -8.967 7.206 1.611 1.00 0.00 C ATOM 210 CG TRP A 16 -7.976 7.953 2.506 1.00 0.00 C ATOM 211 CD1 TRP A 16 -8.181 9.077 3.206 1.00 0.00 C ATOM 212 CD2 TRP A 16 -6.607 7.579 2.771 1.00 0.00 C ATOM 213 NE1 TRP A 16 -7.049 9.454 3.899 1.00 0.00 N ATOM 214 CE2 TRP A 16 -6.062 8.515 3.626 1.00 0.00 C ATOM 215 CE3 TRP A 16 -5.855 6.487 2.303 1.00 0.00 C ATOM 216 CZ2 TRP A 16 -4.741 8.453 4.088 1.00 0.00 C ATOM 217 CZ3 TRP A 16 -4.538 6.440 2.774 1.00 0.00 C ATOM 218 CH2 TRP A 16 -3.973 7.374 3.635 1.00 0.00 C ATOM 0 H TRP A 16 -10.357 5.654 0.266 1.00 0.00 H new ATOM 0 HA TRP A 16 -8.139 5.298 1.913 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -8.634 7.282 0.576 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -9.937 7.699 1.671 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -9.115 9.620 3.225 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -6.954 10.272 4.501 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -6.261 5.744 1.633 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -4.337 9.198 4.758 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -3.917 5.620 2.445 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -2.946 7.268 3.953 1.00 0.00 H new ATOM 229 N SER A 17 -11.004 5.561 3.486 1.00 0.00 N ATOM 230 CA SER A 17 -11.660 5.375 4.769 1.00 0.00 C ATOM 231 C SER A 17 -11.187 4.071 5.415 1.00 0.00 C ATOM 232 O SER A 17 -10.968 4.016 6.624 1.00 0.00 O ATOM 233 CB SER A 17 -13.182 5.368 4.613 1.00 0.00 C ATOM 234 OG SER A 17 -13.842 5.802 5.799 1.00 0.00 O ATOM 0 H SER A 17 -11.637 5.724 2.703 1.00 0.00 H new ATOM 0 HA SER A 17 -11.391 6.211 5.415 1.00 0.00 H new ATOM 0 HB2 SER A 17 -13.464 6.016 3.783 1.00 0.00 H new ATOM 0 HB3 SER A 17 -13.516 4.362 4.360 1.00 0.00 H new ATOM 0 HG SER A 17 -14.812 5.785 5.659 1.00 0.00 H new ATOM 240 N GLU A 18 -11.043 3.052 4.579 1.00 0.00 N ATOM 241 CA GLU A 18 -10.600 1.752 5.054 1.00 0.00 C ATOM 242 C GLU A 18 -9.105 1.787 5.378 1.00 0.00 C ATOM 243 O GLU A 18 -8.672 1.229 6.386 1.00 0.00 O ATOM 244 CB GLU A 18 -10.914 0.659 4.030 1.00 0.00 C ATOM 245 CG GLU A 18 -10.089 -0.601 4.303 1.00 0.00 C ATOM 246 CD GLU A 18 -10.685 -1.812 3.583 1.00 0.00 C ATOM 247 OE1 GLU A 18 -11.798 -1.657 3.037 1.00 0.00 O ATOM 248 OE2 GLU A 18 -10.013 -2.866 3.595 1.00 0.00 O ATOM 0 H GLU A 18 -11.225 3.101 3.577 1.00 0.00 H new ATOM 0 HA GLU A 18 -11.144 1.515 5.968 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -11.976 0.417 4.065 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -10.703 1.025 3.025 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -9.062 -0.446 3.973 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -10.054 -0.792 5.376 1.00 0.00 H new ATOM 255 N ILE A 19 -8.358 2.448 4.506 1.00 0.00 N ATOM 256 CA ILE A 19 -6.921 2.562 4.688 1.00 0.00 C ATOM 257 C ILE A 19 -6.634 3.360 5.962 1.00 0.00 C ATOM 258 O ILE A 19 -5.647 3.104 6.650 1.00 0.00 O ATOM 259 CB ILE A 19 -6.268 3.149 3.435 1.00 0.00 C ATOM 260 CG1 ILE A 19 -6.761 2.435 2.174 1.00 0.00 C ATOM 261 CG2 ILE A 19 -4.742 3.123 3.548 1.00 0.00 C ATOM 262 CD1 ILE A 19 -6.294 0.979 2.150 1.00 0.00 C ATOM 0 H ILE A 19 -8.721 2.910 3.672 1.00 0.00 H new ATOM 0 HA ILE A 19 -6.474 1.577 4.821 1.00 0.00 H new ATOM 0 HB ILE A 19 -6.567 4.194 3.352 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -7.850 2.472 2.133 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -6.391 2.954 1.290 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.303 3.546 2.644 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -4.431 3.711 4.412 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -4.404 2.094 3.669 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -6.658 0.495 1.244 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -5.205 0.946 2.167 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -6.686 0.457 3.023 1.00 0.00 H new ATOM 274 N ARG A 20 -7.515 4.311 6.237 1.00 0.00 N ATOM 275 CA ARG A 20 -7.368 5.147 7.416 1.00 0.00 C ATOM 276 C ARG A 20 -7.667 4.339 8.681 1.00 0.00 C ATOM 277 O ARG A 20 -7.146 4.643 9.753 1.00 0.00 O ATOM 278 CB ARG A 20 -8.308 6.353 7.356 1.00 0.00 C ATOM 279 CG ARG A 20 -7.816 7.382 6.336 1.00 0.00 C ATOM 280 CD ARG A 20 -8.283 8.790 6.709 1.00 0.00 C ATOM 281 NE ARG A 20 -9.746 8.905 6.518 1.00 0.00 N ATOM 282 CZ ARG A 20 -10.453 10.013 6.781 1.00 0.00 C ATOM 283 NH1 ARG A 20 -9.836 11.106 7.248 1.00 0.00 N ATOM 284 NH2 ARG A 20 -11.778 10.026 6.577 1.00 0.00 N ATOM 0 H ARG A 20 -8.332 4.521 5.664 1.00 0.00 H new ATOM 0 HA ARG A 20 -6.338 5.503 7.443 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -9.312 6.023 7.089 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -8.375 6.815 8.341 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.727 7.357 6.285 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -8.187 7.123 5.344 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -8.025 9.005 7.746 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -7.768 9.528 6.093 1.00 0.00 H new ATOM 0 HE ARG A 20 -10.248 8.090 6.164 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -8.828 11.095 7.404 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -10.374 11.949 7.448 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -12.248 9.193 6.222 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -12.317 10.869 6.777 1.00 0.00 H new ATOM 298 N SER A 21 -8.504 3.326 8.513 1.00 0.00 N ATOM 299 CA SER A 21 -8.878 2.472 9.628 1.00 0.00 C ATOM 300 C SER A 21 -7.709 1.559 10.003 1.00 0.00 C ATOM 301 O SER A 21 -7.340 1.466 11.172 1.00 0.00 O ATOM 302 CB SER A 21 -10.116 1.639 9.292 1.00 0.00 C ATOM 303 OG SER A 21 -11.151 1.807 10.258 1.00 0.00 O ATOM 0 H SER A 21 -8.934 3.077 7.622 1.00 0.00 H new ATOM 0 HA SER A 21 -9.121 3.108 10.479 1.00 0.00 H new ATOM 0 HB2 SER A 21 -10.489 1.924 8.308 1.00 0.00 H new ATOM 0 HB3 SER A 21 -9.840 0.586 9.236 1.00 0.00 H new ATOM 0 HG SER A 21 -11.925 1.260 10.007 1.00 0.00 H new ATOM 309 N ARG A 22 -7.160 0.908 8.988 1.00 0.00 N ATOM 310 CA ARG A 22 -6.040 0.005 9.196 1.00 0.00 C ATOM 311 C ARG A 22 -4.926 0.711 9.972 1.00 0.00 C ATOM 312 O ARG A 22 -4.307 0.118 10.854 1.00 0.00 O ATOM 313 CB ARG A 22 -5.483 -0.499 7.863 1.00 0.00 C ATOM 314 CG ARG A 22 -6.503 -1.384 7.143 1.00 0.00 C ATOM 315 CD ARG A 22 -5.835 -2.638 6.575 1.00 0.00 C ATOM 316 NE ARG A 22 -6.628 -3.164 5.442 1.00 0.00 N ATOM 317 CZ ARG A 22 -7.641 -4.031 5.572 1.00 0.00 C ATOM 318 NH1 ARG A 22 -7.991 -4.475 6.787 1.00 0.00 N ATOM 319 NH2 ARG A 22 -8.305 -4.455 4.488 1.00 0.00 N ATOM 0 H ARG A 22 -7.470 0.988 8.019 1.00 0.00 H new ATOM 0 HA ARG A 22 -6.404 -0.847 9.770 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -5.221 0.349 7.230 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -4.566 -1.062 8.037 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -7.294 -1.671 7.836 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -6.974 -0.821 6.337 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -4.824 -2.403 6.244 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -5.748 -3.397 7.352 1.00 0.00 H new ATOM 0 HE ARG A 22 -6.388 -2.846 4.503 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -7.486 -4.153 7.613 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -8.762 -5.135 6.886 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -8.039 -4.118 3.563 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -9.076 -5.115 4.588 1.00 0.00 H new ATOM 333 N ALA A 23 -4.706 1.968 9.616 1.00 0.00 N ATOM 334 CA ALA A 23 -3.677 2.761 10.268 1.00 0.00 C ATOM 335 C ALA A 23 -4.017 2.909 11.752 1.00 0.00 C ATOM 336 O ALA A 23 -3.131 2.854 12.604 1.00 0.00 O ATOM 337 CB ALA A 23 -3.551 4.113 9.562 1.00 0.00 C ATOM 0 H ALA A 23 -5.222 2.457 8.885 1.00 0.00 H new ATOM 0 HA ALA A 23 -2.709 2.265 10.199 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -2.779 4.708 10.051 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -3.280 3.955 8.518 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -4.503 4.641 9.614 1.00 0.00 H new ATOM 343 N HIS A 24 -5.302 3.092 12.017 1.00 0.00 N ATOM 344 CA HIS A 24 -5.770 3.248 13.384 1.00 0.00 C ATOM 345 C HIS A 24 -5.536 1.949 14.157 1.00 0.00 C ATOM 346 O HIS A 24 -5.031 1.972 15.279 1.00 0.00 O ATOM 347 CB HIS A 24 -7.232 3.698 13.410 1.00 0.00 C ATOM 348 CG HIS A 24 -7.521 4.789 14.413 1.00 0.00 C ATOM 349 ND1 HIS A 24 -8.463 4.653 15.418 1.00 0.00 N ATOM 350 CD2 HIS A 24 -6.982 6.034 14.556 1.00 0.00 C ATOM 351 CE1 HIS A 24 -8.482 5.772 16.127 1.00 0.00 C ATOM 352 NE2 HIS A 24 -7.564 6.627 15.591 1.00 0.00 N ATOM 0 H HIS A 24 -6.034 3.136 11.308 1.00 0.00 H new ATOM 0 HA HIS A 24 -5.200 4.034 13.880 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -7.511 4.049 12.416 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -7.862 2.837 13.633 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -6.212 6.464 13.933 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -9.114 5.972 16.980 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -7.359 7.567 15.930 1.00 0.00 H new ATOM 360 N ASN A 25 -5.914 0.846 13.527 1.00 0.00 N ATOM 361 CA ASN A 25 -5.751 -0.460 14.142 1.00 0.00 C ATOM 362 C ASN A 25 -4.260 -0.749 14.330 1.00 0.00 C ATOM 363 O ASN A 25 -3.865 -1.375 15.312 1.00 0.00 O ATOM 364 CB ASN A 25 -6.338 -1.562 13.257 1.00 0.00 C ATOM 365 CG ASN A 25 -7.273 -2.469 14.059 1.00 0.00 C ATOM 366 OD1 ASN A 25 -6.883 -3.498 14.586 1.00 0.00 O ATOM 367 ND2 ASN A 25 -8.528 -2.031 14.123 1.00 0.00 N ATOM 0 H ASN A 25 -6.333 0.830 12.597 1.00 0.00 H new ATOM 0 HA ASN A 25 -6.272 -0.449 15.099 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -6.884 -1.114 12.426 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -5.532 -2.155 12.826 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -9.229 -2.565 14.636 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -8.789 -1.161 13.659 1.00 0.00 H new ATOM 374 N LEU A 26 -3.474 -0.278 13.373 1.00 0.00 N ATOM 375 CA LEU A 26 -2.035 -0.478 13.421 1.00 0.00 C ATOM 376 C LEU A 26 -1.415 0.540 14.381 1.00 0.00 C ATOM 377 O LEU A 26 -0.285 0.364 14.833 1.00 0.00 O ATOM 378 CB LEU A 26 -1.441 -0.435 12.012 1.00 0.00 C ATOM 379 CG LEU A 26 -1.868 -1.563 11.070 1.00 0.00 C ATOM 380 CD1 LEU A 26 -1.388 -1.295 9.642 1.00 0.00 C ATOM 381 CD2 LEU A 26 -1.392 -2.921 11.589 1.00 0.00 C ATOM 0 H LEU A 26 -3.806 0.241 12.560 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.801 -1.469 13.811 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.712 0.516 11.554 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -0.354 -0.451 12.096 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.957 -1.593 11.044 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.704 -2.111 8.993 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.817 -0.359 9.284 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.300 -1.223 9.631 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.709 -3.705 10.901 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.305 -2.921 11.663 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.823 -3.106 12.573 1.00 0.00 H new ATOM 393 N SER A 27 -2.183 1.582 14.664 1.00 0.00 N ATOM 394 CA SER A 27 -1.723 2.628 15.561 1.00 0.00 C ATOM 395 C SER A 27 -0.732 3.542 14.836 1.00 0.00 C ATOM 396 O SER A 27 0.327 3.864 15.372 1.00 0.00 O ATOM 397 CB SER A 27 -1.077 2.034 16.814 1.00 0.00 C ATOM 398 OG SER A 27 -1.007 2.979 17.878 1.00 0.00 O ATOM 0 H SER A 27 -3.120 1.724 14.288 1.00 0.00 H new ATOM 0 HA SER A 27 -2.587 3.215 15.873 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.648 1.164 17.139 1.00 0.00 H new ATOM 0 HB3 SER A 27 -0.073 1.684 16.573 1.00 0.00 H new ATOM 0 HG SER A 27 -0.529 3.779 17.574 1.00 0.00 H new ATOM 404 N VAL A 28 -1.113 3.934 13.629 1.00 0.00 N ATOM 405 CA VAL A 28 -0.271 4.805 12.826 1.00 0.00 C ATOM 406 C VAL A 28 -1.151 5.805 12.074 1.00 0.00 C ATOM 407 O VAL A 28 -2.314 5.524 11.790 1.00 0.00 O ATOM 408 CB VAL A 28 0.611 3.968 11.896 1.00 0.00 C ATOM 409 CG1 VAL A 28 1.847 3.450 12.633 1.00 0.00 C ATOM 410 CG2 VAL A 28 -0.183 2.814 11.279 1.00 0.00 C ATOM 0 H VAL A 28 -1.992 3.665 13.188 1.00 0.00 H new ATOM 0 HA VAL A 28 0.403 5.378 13.463 1.00 0.00 H new ATOM 0 HB VAL A 28 0.950 4.613 11.085 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.457 2.859 11.950 1.00 0.00 H new ATOM 0 HG12 VAL A 28 2.430 4.293 13.002 1.00 0.00 H new ATOM 0 HG13 VAL A 28 1.536 2.828 13.473 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.467 2.235 10.623 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.565 2.170 12.072 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -1.018 3.214 10.703 1.00 0.00 H new ATOM 420 N GLU A 29 -0.562 6.953 11.772 1.00 0.00 N ATOM 421 CA GLU A 29 -1.277 7.997 11.059 1.00 0.00 C ATOM 422 C GLU A 29 -0.703 8.168 9.651 1.00 0.00 C ATOM 423 O GLU A 29 0.514 8.202 9.474 1.00 0.00 O ATOM 424 CB GLU A 29 -1.236 9.317 11.832 1.00 0.00 C ATOM 425 CG GLU A 29 -2.491 10.150 11.562 1.00 0.00 C ATOM 426 CD GLU A 29 -2.797 11.077 12.740 1.00 0.00 C ATOM 427 OE1 GLU A 29 -2.662 10.601 13.888 1.00 0.00 O ATOM 428 OE2 GLU A 29 -3.158 12.242 12.466 1.00 0.00 O ATOM 0 H GLU A 29 0.403 7.183 12.009 1.00 0.00 H new ATOM 0 HA GLU A 29 -2.322 7.698 10.970 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -1.152 9.115 12.900 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -0.350 9.884 11.544 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -2.352 10.740 10.656 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -3.339 9.489 11.385 1.00 0.00 H new ATOM 435 N ILE A 30 -1.605 8.271 8.687 1.00 0.00 N ATOM 436 CA ILE A 30 -1.203 8.438 7.300 1.00 0.00 C ATOM 437 C ILE A 30 -2.126 9.453 6.624 1.00 0.00 C ATOM 438 O ILE A 30 -3.193 9.772 7.148 1.00 0.00 O ATOM 439 CB ILE A 30 -1.153 7.083 6.590 1.00 0.00 C ATOM 440 CG1 ILE A 30 -2.546 6.455 6.511 1.00 0.00 C ATOM 441 CG2 ILE A 30 -0.141 6.151 7.258 1.00 0.00 C ATOM 442 CD1 ILE A 30 -2.484 5.063 5.878 1.00 0.00 C ATOM 0 H ILE A 30 -2.613 8.242 8.838 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.191 8.840 7.242 1.00 0.00 H new ATOM 0 HB ILE A 30 -0.814 7.245 5.567 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.975 6.385 7.511 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.205 7.096 5.925 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.125 5.195 6.734 1.00 0.00 H new ATOM 0 HG22 ILE A 30 0.850 6.602 7.219 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -0.426 5.990 8.298 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -3.487 4.639 5.834 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.077 5.140 4.870 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.843 4.418 6.479 1.00 0.00 H new ATOM 454 N LYS A 31 -1.683 9.933 5.472 1.00 0.00 N ATOM 455 CA LYS A 31 -2.457 10.906 4.719 1.00 0.00 C ATOM 456 C LYS A 31 -2.787 10.331 3.340 1.00 0.00 C ATOM 457 O LYS A 31 -2.213 9.323 2.930 1.00 0.00 O ATOM 458 CB LYS A 31 -1.724 12.248 4.666 1.00 0.00 C ATOM 459 CG LYS A 31 -2.149 13.150 5.826 1.00 0.00 C ATOM 460 CD LYS A 31 -2.463 14.564 5.334 1.00 0.00 C ATOM 461 CE LYS A 31 -3.851 14.626 4.694 1.00 0.00 C ATOM 462 NZ LYS A 31 -4.044 15.919 3.999 1.00 0.00 N ATOM 0 H LYS A 31 -0.798 9.667 5.041 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.406 11.106 5.217 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -0.648 12.081 4.706 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -1.934 12.744 3.719 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -3.026 12.729 6.317 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.355 13.188 6.571 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.412 15.263 6.169 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -1.710 14.877 4.610 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -3.969 13.805 3.987 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -4.617 14.500 5.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -4.991 15.945 3.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -3.952 16.698 4.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -3.324 16.024 3.256 1.00 0.00 H new ATOM 476 N LYS A 32 -3.711 10.996 2.663 1.00 0.00 N ATOM 477 CA LYS A 32 -4.124 10.564 1.338 1.00 0.00 C ATOM 478 C LYS A 32 -3.265 11.267 0.286 1.00 0.00 C ATOM 479 O LYS A 32 -3.103 10.765 -0.825 1.00 0.00 O ATOM 480 CB LYS A 32 -5.627 10.780 1.149 1.00 0.00 C ATOM 481 CG LYS A 32 -6.063 10.392 -0.265 1.00 0.00 C ATOM 482 CD LYS A 32 -7.379 11.076 -0.640 1.00 0.00 C ATOM 483 CE LYS A 32 -8.408 10.055 -1.131 1.00 0.00 C ATOM 484 NZ LYS A 32 -8.648 10.219 -2.582 1.00 0.00 N ATOM 0 H LYS A 32 -4.186 11.831 3.007 1.00 0.00 H new ATOM 0 HA LYS A 32 -3.961 9.493 1.219 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -6.178 10.187 1.879 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -5.874 11.825 1.336 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -5.288 10.672 -0.978 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -6.180 9.310 -0.329 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -7.775 11.609 0.224 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -7.198 11.818 -1.418 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -8.053 9.045 -0.927 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -9.343 10.181 -0.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -9.348 9.519 -2.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -9.007 11.177 -2.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -7.757 10.076 -3.099 1.00 0.00 H new ATOM 498 N GLY A 33 -2.737 12.419 0.673 1.00 0.00 N ATOM 499 CA GLY A 33 -1.898 13.196 -0.224 1.00 0.00 C ATOM 500 C GLY A 33 -0.568 12.486 -0.484 1.00 0.00 C ATOM 501 O GLY A 33 -0.158 12.329 -1.633 1.00 0.00 O ATOM 0 H GLY A 33 -2.874 12.833 1.595 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -2.419 13.356 -1.168 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -1.711 14.179 0.208 1.00 0.00 H new ATOM 505 N PRO A 34 0.086 12.064 0.631 1.00 0.00 N ATOM 506 CA PRO A 34 1.361 11.374 0.535 1.00 0.00 C ATOM 507 C PRO A 34 1.170 9.932 0.059 1.00 0.00 C ATOM 508 O PRO A 34 1.954 9.431 -0.745 1.00 0.00 O ATOM 509 CB PRO A 34 1.964 11.465 1.927 1.00 0.00 C ATOM 510 CG PRO A 34 0.809 11.791 2.860 1.00 0.00 C ATOM 511 CD PRO A 34 -0.369 12.232 2.008 1.00 0.00 C ATOM 0 HA PRO A 34 2.027 11.822 -0.203 1.00 0.00 H new ATOM 0 HB2 PRO A 34 2.441 10.526 2.208 1.00 0.00 H new ATOM 0 HB3 PRO A 34 2.732 12.238 1.971 1.00 0.00 H new ATOM 0 HG2 PRO A 34 0.543 10.919 3.457 1.00 0.00 H new ATOM 0 HG3 PRO A 34 1.092 12.580 3.557 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -1.252 11.626 2.210 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -0.639 13.268 2.212 1.00 0.00 H new ATOM 519 N TRP A 35 0.123 9.306 0.577 1.00 0.00 N ATOM 520 CA TRP A 35 -0.181 7.932 0.215 1.00 0.00 C ATOM 521 C TRP A 35 -0.149 7.826 -1.311 1.00 0.00 C ATOM 522 O TRP A 35 0.300 6.820 -1.857 1.00 0.00 O ATOM 523 CB TRP A 35 -1.517 7.490 0.817 1.00 0.00 C ATOM 524 CG TRP A 35 -2.002 6.126 0.320 1.00 0.00 C ATOM 525 CD1 TRP A 35 -2.529 5.823 -0.875 1.00 0.00 C ATOM 526 CD2 TRP A 35 -1.984 4.886 1.057 1.00 0.00 C ATOM 527 NE1 TRP A 35 -2.850 4.484 -0.960 1.00 0.00 N ATOM 528 CE2 TRP A 35 -2.508 3.896 0.252 1.00 0.00 C ATOM 529 CE3 TRP A 35 -1.539 4.610 2.362 1.00 0.00 C ATOM 530 CZ2 TRP A 35 -2.637 2.563 0.660 1.00 0.00 C ATOM 531 CZ3 TRP A 35 -1.674 3.273 2.756 1.00 0.00 C ATOM 532 CH2 TRP A 35 -2.200 2.265 1.957 1.00 0.00 C ATOM 0 H TRP A 35 -0.525 9.725 1.244 1.00 0.00 H new ATOM 0 HA TRP A 35 0.564 7.251 0.626 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -1.422 7.457 1.902 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -2.274 8.240 0.586 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -2.683 6.537 -1.671 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -3.263 4.012 -1.765 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -1.126 5.369 3.009 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -3.051 1.806 0.010 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -1.347 3.007 3.750 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -2.272 1.256 2.335 1.00 0.00 H new ATOM 543 N ARG A 36 -0.630 8.879 -1.955 1.00 0.00 N ATOM 544 CA ARG A 36 -0.662 8.917 -3.408 1.00 0.00 C ATOM 545 C ARG A 36 0.743 9.158 -3.963 1.00 0.00 C ATOM 546 O ARG A 36 1.191 8.445 -4.860 1.00 0.00 O ATOM 547 CB ARG A 36 -1.597 10.019 -3.909 1.00 0.00 C ATOM 548 CG ARG A 36 -1.798 9.921 -5.423 1.00 0.00 C ATOM 549 CD ARG A 36 -3.271 10.104 -5.794 1.00 0.00 C ATOM 550 NE ARG A 36 -3.488 11.458 -6.351 1.00 0.00 N ATOM 551 CZ ARG A 36 -4.516 11.788 -7.145 1.00 0.00 C ATOM 552 NH1 ARG A 36 -5.427 10.864 -7.479 1.00 0.00 N ATOM 553 NH2 ARG A 36 -4.633 13.041 -7.604 1.00 0.00 N ATOM 0 H ARG A 36 -1.001 9.712 -1.498 1.00 0.00 H new ATOM 0 HA ARG A 36 -1.034 7.954 -3.757 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.560 9.941 -3.405 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -1.183 10.995 -3.656 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -1.196 10.680 -5.923 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -1.448 8.952 -5.778 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -3.567 9.350 -6.523 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -3.897 9.959 -4.914 1.00 0.00 H new ATOM 0 HE ARG A 36 -2.813 12.186 -6.116 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -5.338 9.910 -7.129 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -6.210 11.115 -8.083 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -3.940 13.744 -7.349 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -5.416 13.292 -8.208 1.00 0.00 H new ATOM 567 N THR A 37 1.400 10.165 -3.407 1.00 0.00 N ATOM 568 CA THR A 37 2.745 10.509 -3.836 1.00 0.00 C ATOM 569 C THR A 37 3.670 9.297 -3.712 1.00 0.00 C ATOM 570 O THR A 37 4.360 8.938 -4.666 1.00 0.00 O ATOM 571 CB THR A 37 3.210 11.714 -3.014 1.00 0.00 C ATOM 572 OG1 THR A 37 2.594 12.828 -3.654 1.00 0.00 O ATOM 573 CG2 THR A 37 4.709 11.980 -3.162 1.00 0.00 C ATOM 0 H THR A 37 1.026 10.754 -2.663 1.00 0.00 H new ATOM 0 HA THR A 37 2.765 10.788 -4.889 1.00 0.00 H new ATOM 0 HB THR A 37 2.973 11.550 -1.963 1.00 0.00 H new ATOM 0 HG1 THR A 37 2.840 13.652 -3.185 1.00 0.00 H new ATOM 0 HG21 THR A 37 4.986 12.845 -2.559 1.00 0.00 H new ATOM 0 HG22 THR A 37 5.268 11.108 -2.824 1.00 0.00 H new ATOM 0 HG23 THR A 37 4.942 12.178 -4.208 1.00 0.00 H new ATOM 581 N PHE A 38 3.655 8.699 -2.530 1.00 0.00 N ATOM 582 CA PHE A 38 4.484 7.534 -2.270 1.00 0.00 C ATOM 583 C PHE A 38 4.146 6.394 -3.233 1.00 0.00 C ATOM 584 O PHE A 38 4.998 5.561 -3.539 1.00 0.00 O ATOM 585 CB PHE A 38 4.185 7.082 -0.839 1.00 0.00 C ATOM 586 CG PHE A 38 4.688 8.047 0.236 1.00 0.00 C ATOM 587 CD1 PHE A 38 5.878 8.686 0.073 1.00 0.00 C ATOM 588 CD2 PHE A 38 3.947 8.266 1.354 1.00 0.00 C ATOM 589 CE1 PHE A 38 6.346 9.581 1.071 1.00 0.00 C ATOM 590 CE2 PHE A 38 4.414 9.162 2.352 1.00 0.00 C ATOM 591 CZ PHE A 38 5.604 9.800 2.190 1.00 0.00 C ATOM 0 H PHE A 38 3.082 8.999 -1.741 1.00 0.00 H new ATOM 0 HA PHE A 38 5.535 7.788 -2.405 1.00 0.00 H new ATOM 0 HB2 PHE A 38 3.108 6.957 -0.726 1.00 0.00 H new ATOM 0 HB3 PHE A 38 4.638 6.104 -0.676 1.00 0.00 H new ATOM 0 HD1 PHE A 38 6.467 8.512 -0.816 1.00 0.00 H new ATOM 0 HD2 PHE A 38 3.003 7.758 1.484 1.00 0.00 H new ATOM 0 HE1 PHE A 38 7.291 10.088 0.942 1.00 0.00 H new ATOM 0 HE2 PHE A 38 3.824 9.337 3.240 1.00 0.00 H new ATOM 0 HZ PHE A 38 5.960 10.480 2.950 1.00 0.00 H new ATOM 601 N CYS A 39 2.900 6.394 -3.685 1.00 0.00 N ATOM 602 CA CYS A 39 2.439 5.370 -4.608 1.00 0.00 C ATOM 603 C CYS A 39 2.315 5.997 -5.998 1.00 0.00 C ATOM 604 O CYS A 39 1.693 5.421 -6.889 1.00 0.00 O ATOM 605 CB CYS A 39 1.122 4.743 -4.145 1.00 0.00 C ATOM 606 SG CYS A 39 0.914 3.092 -4.905 1.00 0.00 S ATOM 0 H CYS A 39 2.196 7.086 -3.429 1.00 0.00 H new ATOM 0 HA CYS A 39 3.162 4.555 -4.642 1.00 0.00 H new ATOM 0 HB2 CYS A 39 1.113 4.656 -3.059 1.00 0.00 H new ATOM 0 HB3 CYS A 39 0.287 5.387 -4.420 1.00 0.00 H new ATOM 0 HG CYS A 39 0.040 2.409 -4.227 1.00 0.00 H new ATOM 612 N ALA A 40 2.918 7.168 -6.140 1.00 0.00 N ATOM 613 CA ALA A 40 2.883 7.879 -7.407 1.00 0.00 C ATOM 614 C ALA A 40 4.191 7.630 -8.162 1.00 0.00 C ATOM 615 O ALA A 40 4.181 7.083 -9.264 1.00 0.00 O ATOM 616 CB ALA A 40 2.631 9.366 -7.151 1.00 0.00 C ATOM 0 H ALA A 40 3.434 7.642 -5.399 1.00 0.00 H new ATOM 0 HA ALA A 40 2.067 7.513 -8.031 1.00 0.00 H new ATOM 0 HB1 ALA A 40 2.605 9.899 -8.101 1.00 0.00 H new ATOM 0 HB2 ALA A 40 1.677 9.490 -6.639 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.431 9.769 -6.531 1.00 0.00 H new ATOM 622 N SER A 41 5.284 8.045 -7.540 1.00 0.00 N ATOM 623 CA SER A 41 6.597 7.874 -8.139 1.00 0.00 C ATOM 624 C SER A 41 7.660 7.750 -7.046 1.00 0.00 C ATOM 625 O SER A 41 8.761 8.282 -7.182 1.00 0.00 O ATOM 626 CB SER A 41 6.931 9.038 -9.075 1.00 0.00 C ATOM 627 OG SER A 41 7.718 8.621 -10.186 1.00 0.00 O ATOM 0 H SER A 41 5.288 8.500 -6.627 1.00 0.00 H new ATOM 0 HA SER A 41 6.586 6.959 -8.731 1.00 0.00 H new ATOM 0 HB2 SER A 41 6.007 9.490 -9.435 1.00 0.00 H new ATOM 0 HB3 SER A 41 7.467 9.807 -8.519 1.00 0.00 H new ATOM 0 HG SER A 41 7.908 9.392 -10.760 1.00 0.00 H new ATOM 633 N GLU A 42 7.293 7.046 -5.986 1.00 0.00 N ATOM 634 CA GLU A 42 8.201 6.846 -4.869 1.00 0.00 C ATOM 635 C GLU A 42 8.536 5.360 -4.717 1.00 0.00 C ATOM 636 O GLU A 42 9.706 4.989 -4.641 1.00 0.00 O ATOM 637 CB GLU A 42 7.612 7.410 -3.575 1.00 0.00 C ATOM 638 CG GLU A 42 8.717 7.757 -2.575 1.00 0.00 C ATOM 639 CD GLU A 42 9.260 9.166 -2.824 1.00 0.00 C ATOM 640 OE1 GLU A 42 8.420 10.072 -3.012 1.00 0.00 O ATOM 641 OE2 GLU A 42 10.502 9.304 -2.820 1.00 0.00 O ATOM 0 H GLU A 42 6.379 6.607 -5.877 1.00 0.00 H new ATOM 0 HA GLU A 42 9.124 7.388 -5.075 1.00 0.00 H new ATOM 0 HB2 GLU A 42 7.024 8.301 -3.797 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.932 6.682 -3.133 1.00 0.00 H new ATOM 0 HG2 GLU A 42 8.328 7.688 -1.559 1.00 0.00 H new ATOM 0 HG3 GLU A 42 9.527 7.032 -2.656 1.00 0.00 H new ATOM 648 N TRP A 43 7.488 4.551 -4.678 1.00 0.00 N ATOM 649 CA TRP A 43 7.656 3.115 -4.536 1.00 0.00 C ATOM 650 C TRP A 43 8.087 2.553 -5.892 1.00 0.00 C ATOM 651 O TRP A 43 8.994 1.726 -5.965 1.00 0.00 O ATOM 652 CB TRP A 43 6.380 2.464 -3.998 1.00 0.00 C ATOM 653 CG TRP A 43 6.123 2.732 -2.514 1.00 0.00 C ATOM 654 CD1 TRP A 43 7.016 3.044 -1.565 1.00 0.00 C ATOM 655 CD2 TRP A 43 4.845 2.700 -1.843 1.00 0.00 C ATOM 656 NE1 TRP A 43 6.411 3.214 -0.336 1.00 0.00 N ATOM 657 CE2 TRP A 43 5.049 2.998 -0.511 1.00 0.00 C ATOM 658 CE3 TRP A 43 3.561 2.427 -2.345 1.00 0.00 C ATOM 659 CZ2 TRP A 43 4.013 3.052 0.429 1.00 0.00 C ATOM 660 CZ3 TRP A 43 2.536 2.485 -1.392 1.00 0.00 C ATOM 661 CH2 TRP A 43 2.724 2.784 -0.048 1.00 0.00 C ATOM 0 H TRP A 43 6.519 4.863 -4.742 1.00 0.00 H new ATOM 0 HA TRP A 43 8.430 2.888 -3.803 1.00 0.00 H new ATOM 0 HB2 TRP A 43 5.529 2.826 -4.575 1.00 0.00 H new ATOM 0 HB3 TRP A 43 6.439 1.387 -4.157 1.00 0.00 H new ATOM 0 HD1 TRP A 43 8.077 3.149 -1.740 1.00 0.00 H new ATOM 0 HE1 TRP A 43 6.877 3.454 0.539 1.00 0.00 H new ATOM 0 HE3 TRP A 43 3.379 2.191 -3.383 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 4.198 3.288 1.467 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 1.529 2.283 -1.725 1.00 0.00 H new ATOM 0 HH2 TRP A 43 1.880 2.810 0.625 1.00 0.00 H new ATOM 672 N PRO A 44 7.399 3.038 -6.960 1.00 0.00 N ATOM 673 CA PRO A 44 7.702 2.594 -8.310 1.00 0.00 C ATOM 674 C PRO A 44 9.000 3.224 -8.817 1.00 0.00 C ATOM 675 O PRO A 44 9.403 2.993 -9.956 1.00 0.00 O ATOM 676 CB PRO A 44 6.488 2.989 -9.136 1.00 0.00 C ATOM 677 CG PRO A 44 5.758 4.047 -8.324 1.00 0.00 C ATOM 678 CD PRO A 44 6.319 4.019 -6.912 1.00 0.00 C ATOM 0 HA PRO A 44 7.876 1.520 -8.370 1.00 0.00 H new ATOM 0 HB2 PRO A 44 6.788 3.381 -10.108 1.00 0.00 H new ATOM 0 HB3 PRO A 44 5.846 2.128 -9.323 1.00 0.00 H new ATOM 0 HG2 PRO A 44 5.895 5.032 -8.770 1.00 0.00 H new ATOM 0 HG3 PRO A 44 4.686 3.848 -8.313 1.00 0.00 H new ATOM 0 HD2 PRO A 44 6.689 5.000 -6.614 1.00 0.00 H new ATOM 0 HD3 PRO A 44 5.556 3.732 -6.189 1.00 0.00 H new ATOM 686 N THR A 45 9.620 4.007 -7.946 1.00 0.00 N ATOM 687 CA THR A 45 10.865 4.672 -8.291 1.00 0.00 C ATOM 688 C THR A 45 12.011 4.139 -7.428 1.00 0.00 C ATOM 689 O THR A 45 13.043 4.793 -7.289 1.00 0.00 O ATOM 690 CB THR A 45 10.649 6.181 -8.151 1.00 0.00 C ATOM 691 OG1 THR A 45 10.063 6.329 -6.861 1.00 0.00 O ATOM 692 CG2 THR A 45 9.581 6.711 -9.109 1.00 0.00 C ATOM 0 H THR A 45 9.283 4.196 -7.002 1.00 0.00 H new ATOM 0 HA THR A 45 11.153 4.464 -9.322 1.00 0.00 H new ATOM 0 HB THR A 45 11.590 6.701 -8.333 1.00 0.00 H new ATOM 0 HG1 THR A 45 9.976 7.282 -6.648 1.00 0.00 H new ATOM 0 HG21 THR A 45 9.467 7.786 -8.968 1.00 0.00 H new ATOM 0 HG22 THR A 45 9.882 6.509 -10.137 1.00 0.00 H new ATOM 0 HG23 THR A 45 8.631 6.216 -8.905 1.00 0.00 H new ATOM 700 N PHE A 46 11.789 2.958 -6.871 1.00 0.00 N ATOM 701 CA PHE A 46 12.791 2.330 -6.026 1.00 0.00 C ATOM 702 C PHE A 46 13.512 1.206 -6.774 1.00 0.00 C ATOM 703 O PHE A 46 14.600 0.791 -6.377 1.00 0.00 O ATOM 704 CB PHE A 46 12.053 1.735 -4.825 1.00 0.00 C ATOM 705 CG PHE A 46 11.785 2.737 -3.701 1.00 0.00 C ATOM 706 CD1 PHE A 46 11.961 4.068 -3.919 1.00 0.00 C ATOM 707 CD2 PHE A 46 11.371 2.297 -2.482 1.00 0.00 C ATOM 708 CE1 PHE A 46 11.712 4.998 -2.876 1.00 0.00 C ATOM 709 CE2 PHE A 46 11.122 3.228 -1.438 1.00 0.00 C ATOM 710 CZ PHE A 46 11.298 4.558 -1.657 1.00 0.00 C ATOM 0 H PHE A 46 10.931 2.419 -6.988 1.00 0.00 H new ATOM 0 HA PHE A 46 13.536 3.065 -5.723 1.00 0.00 H new ATOM 0 HB2 PHE A 46 11.103 1.322 -5.164 1.00 0.00 H new ATOM 0 HB3 PHE A 46 12.638 0.906 -4.427 1.00 0.00 H new ATOM 0 HD1 PHE A 46 12.290 4.417 -4.886 1.00 0.00 H new ATOM 0 HD2 PHE A 46 11.232 1.240 -2.308 1.00 0.00 H new ATOM 0 HE1 PHE A 46 11.851 6.055 -3.050 1.00 0.00 H new ATOM 0 HE2 PHE A 46 10.793 2.879 -0.470 1.00 0.00 H new ATOM 0 HZ PHE A 46 11.109 5.266 -0.863 1.00 0.00 H new ATOM 720 N ASP A 47 12.878 0.747 -7.842 1.00 0.00 N ATOM 721 CA ASP A 47 13.446 -0.320 -8.648 1.00 0.00 C ATOM 722 C ASP A 47 13.337 -1.643 -7.886 1.00 0.00 C ATOM 723 O ASP A 47 14.190 -1.957 -7.057 1.00 0.00 O ATOM 724 CB ASP A 47 14.925 -0.063 -8.940 1.00 0.00 C ATOM 725 CG ASP A 47 15.260 1.367 -9.368 1.00 0.00 C ATOM 726 OD1 ASP A 47 14.460 2.265 -9.026 1.00 0.00 O ATOM 727 OD2 ASP A 47 16.309 1.531 -10.029 1.00 0.00 O ATOM 0 H ASP A 47 11.976 1.094 -8.168 1.00 0.00 H new ATOM 0 HA ASP A 47 12.895 -0.362 -9.588 1.00 0.00 H new ATOM 0 HB2 ASP A 47 15.503 -0.304 -8.048 1.00 0.00 H new ATOM 0 HB3 ASP A 47 15.249 -0.747 -9.725 1.00 0.00 H new ATOM 732 N VAL A 48 12.282 -2.382 -8.194 1.00 0.00 N ATOM 733 CA VAL A 48 12.051 -3.663 -7.548 1.00 0.00 C ATOM 734 C VAL A 48 10.945 -4.412 -8.293 1.00 0.00 C ATOM 735 O VAL A 48 11.147 -5.540 -8.742 1.00 0.00 O ATOM 736 CB VAL A 48 11.737 -3.453 -6.066 1.00 0.00 C ATOM 737 CG1 VAL A 48 13.022 -3.385 -5.238 1.00 0.00 C ATOM 738 CG2 VAL A 48 10.884 -2.200 -5.858 1.00 0.00 C ATOM 0 H VAL A 48 11.577 -2.118 -8.883 1.00 0.00 H new ATOM 0 HA VAL A 48 12.948 -4.280 -7.592 1.00 0.00 H new ATOM 0 HB VAL A 48 11.161 -4.311 -5.721 1.00 0.00 H new ATOM 0 HG11 VAL A 48 12.771 -3.235 -4.188 1.00 0.00 H new ATOM 0 HG12 VAL A 48 13.576 -4.317 -5.349 1.00 0.00 H new ATOM 0 HG13 VAL A 48 13.636 -2.554 -5.586 1.00 0.00 H new ATOM 0 HG21 VAL A 48 10.675 -2.074 -4.796 1.00 0.00 H new ATOM 0 HG22 VAL A 48 11.423 -1.328 -6.228 1.00 0.00 H new ATOM 0 HG23 VAL A 48 9.945 -2.304 -6.402 1.00 0.00 H new ATOM 748 N GLY A 49 9.799 -3.756 -8.401 1.00 0.00 N ATOM 749 CA GLY A 49 8.660 -4.346 -9.084 1.00 0.00 C ATOM 750 C GLY A 49 7.361 -3.635 -8.699 1.00 0.00 C ATOM 751 O GLY A 49 6.314 -4.270 -8.578 1.00 0.00 O ATOM 0 H GLY A 49 9.635 -2.821 -8.027 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.806 -4.285 -10.162 1.00 0.00 H new ATOM 0 HA3 GLY A 49 8.588 -5.404 -8.832 1.00 0.00 H new ATOM 755 N TRP A 50 7.471 -2.328 -8.516 1.00 0.00 N ATOM 756 CA TRP A 50 6.319 -1.524 -8.147 1.00 0.00 C ATOM 757 C TRP A 50 5.916 -0.689 -9.364 1.00 0.00 C ATOM 758 O TRP A 50 6.681 0.160 -9.820 1.00 0.00 O ATOM 759 CB TRP A 50 6.616 -0.673 -6.911 1.00 0.00 C ATOM 760 CG TRP A 50 5.381 -0.008 -6.300 1.00 0.00 C ATOM 761 CD1 TRP A 50 4.868 1.197 -6.584 1.00 0.00 C ATOM 762 CD2 TRP A 50 4.519 -0.564 -5.285 1.00 0.00 C ATOM 763 NE1 TRP A 50 3.743 1.457 -5.828 1.00 0.00 N ATOM 764 CE2 TRP A 50 3.524 0.353 -5.014 1.00 0.00 C ATOM 765 CE3 TRP A 50 4.578 -1.800 -4.618 1.00 0.00 C ATOM 766 CZ2 TRP A 50 2.513 0.130 -4.071 1.00 0.00 C ATOM 767 CZ3 TRP A 50 3.560 -2.008 -3.679 1.00 0.00 C ATOM 768 CH2 TRP A 50 2.551 -1.095 -3.395 1.00 0.00 C ATOM 0 H TRP A 50 8.341 -1.805 -8.616 1.00 0.00 H new ATOM 0 HA TRP A 50 5.479 -2.160 -7.867 1.00 0.00 H new ATOM 0 HB2 TRP A 50 7.089 -1.301 -6.156 1.00 0.00 H new ATOM 0 HB3 TRP A 50 7.336 0.100 -7.179 1.00 0.00 H new ATOM 0 HD1 TRP A 50 5.282 1.878 -7.312 1.00 0.00 H new ATOM 0 HE1 TRP A 50 3.176 2.304 -5.861 1.00 0.00 H new ATOM 0 HE3 TRP A 50 5.348 -2.532 -4.814 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 1.745 0.864 -3.876 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 3.559 -2.943 -3.138 1.00 0.00 H new ATOM 0 HH2 TRP A 50 1.799 -1.330 -2.656 1.00 0.00 H new ATOM 779 N PRO A 51 4.683 -0.965 -9.868 1.00 0.00 N ATOM 780 CA PRO A 51 4.169 -0.249 -11.024 1.00 0.00 C ATOM 781 C PRO A 51 3.733 1.167 -10.642 1.00 0.00 C ATOM 782 O PRO A 51 3.653 1.498 -9.460 1.00 0.00 O ATOM 783 CB PRO A 51 3.023 -1.104 -11.539 1.00 0.00 C ATOM 784 CG PRO A 51 2.639 -2.022 -10.390 1.00 0.00 C ATOM 785 CD PRO A 51 3.750 -1.963 -9.354 1.00 0.00 C ATOM 0 HA PRO A 51 4.922 -0.107 -11.799 1.00 0.00 H new ATOM 0 HB2 PRO A 51 2.179 -0.484 -11.843 1.00 0.00 H new ATOM 0 HB3 PRO A 51 3.327 -1.679 -12.414 1.00 0.00 H new ATOM 0 HG2 PRO A 51 1.691 -1.709 -9.952 1.00 0.00 H new ATOM 0 HG3 PRO A 51 2.503 -3.043 -10.746 1.00 0.00 H new ATOM 0 HD2 PRO A 51 3.364 -1.678 -8.375 1.00 0.00 H new ATOM 0 HD3 PRO A 51 4.233 -2.933 -9.236 1.00 0.00 H new ATOM 793 N PRO A 52 3.456 1.986 -11.691 1.00 0.00 N ATOM 794 CA PRO A 52 3.031 3.359 -11.478 1.00 0.00 C ATOM 795 C PRO A 52 1.576 3.415 -11.006 1.00 0.00 C ATOM 796 O PRO A 52 1.054 4.491 -10.718 1.00 0.00 O ATOM 797 CB PRO A 52 3.248 4.050 -12.814 1.00 0.00 C ATOM 798 CG PRO A 52 3.347 2.940 -13.847 1.00 0.00 C ATOM 799 CD PRO A 52 3.540 1.628 -13.104 1.00 0.00 C ATOM 0 HA PRO A 52 3.597 3.857 -10.691 1.00 0.00 H new ATOM 0 HB2 PRO A 52 2.423 4.724 -13.043 1.00 0.00 H new ATOM 0 HB3 PRO A 52 4.157 4.652 -12.799 1.00 0.00 H new ATOM 0 HG2 PRO A 52 2.444 2.904 -14.457 1.00 0.00 H new ATOM 0 HG3 PRO A 52 4.182 3.122 -14.524 1.00 0.00 H new ATOM 0 HD2 PRO A 52 2.773 0.903 -13.375 1.00 0.00 H new ATOM 0 HD3 PRO A 52 4.503 1.176 -13.341 1.00 0.00 H new ATOM 807 N GLU A 53 0.963 2.242 -10.941 1.00 0.00 N ATOM 808 CA GLU A 53 -0.421 2.144 -10.509 1.00 0.00 C ATOM 809 C GLU A 53 -0.510 1.387 -9.182 1.00 0.00 C ATOM 810 O GLU A 53 -1.577 1.317 -8.574 1.00 0.00 O ATOM 811 CB GLU A 53 -1.284 1.474 -11.580 1.00 0.00 C ATOM 812 CG GLU A 53 -1.390 2.355 -12.827 1.00 0.00 C ATOM 813 CD GLU A 53 -0.045 2.444 -13.552 1.00 0.00 C ATOM 814 OE1 GLU A 53 0.311 1.443 -14.211 1.00 0.00 O ATOM 815 OE2 GLU A 53 0.595 3.510 -13.430 1.00 0.00 O ATOM 0 H GLU A 53 1.399 1.352 -11.180 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.806 3.152 -10.357 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -0.854 0.509 -11.847 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -2.280 1.280 -11.181 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -2.144 1.948 -13.501 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -1.721 3.354 -12.544 1.00 0.00 H new ATOM 822 N GLY A 54 0.625 0.841 -8.771 1.00 0.00 N ATOM 823 CA GLY A 54 0.689 0.093 -7.527 1.00 0.00 C ATOM 824 C GLY A 54 0.348 -1.381 -7.756 1.00 0.00 C ATOM 825 O GLY A 54 -0.121 -1.754 -8.831 1.00 0.00 O ATOM 0 H GLY A 54 1.508 0.902 -9.278 1.00 0.00 H new ATOM 0 HA2 GLY A 54 1.688 0.177 -7.099 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -0.005 0.522 -6.804 1.00 0.00 H new ATOM 829 N THR A 55 0.596 -2.179 -6.728 1.00 0.00 N ATOM 830 CA THR A 55 0.321 -3.604 -6.803 1.00 0.00 C ATOM 831 C THR A 55 0.112 -4.182 -5.402 1.00 0.00 C ATOM 832 O THR A 55 0.737 -3.733 -4.443 1.00 0.00 O ATOM 833 CB THR A 55 1.467 -4.267 -7.570 1.00 0.00 C ATOM 834 OG1 THR A 55 0.827 -5.273 -8.350 1.00 0.00 O ATOM 835 CG2 THR A 55 2.409 -5.049 -6.652 1.00 0.00 C ATOM 0 H THR A 55 0.984 -1.866 -5.838 1.00 0.00 H new ATOM 0 HA THR A 55 -0.606 -3.800 -7.342 1.00 0.00 H new ATOM 0 HB THR A 55 2.033 -3.506 -8.108 1.00 0.00 H new ATOM 0 HG1 THR A 55 1.498 -5.752 -8.881 1.00 0.00 H new ATOM 0 HG21 THR A 55 3.204 -5.500 -7.246 1.00 0.00 H new ATOM 0 HG22 THR A 55 2.844 -4.373 -5.916 1.00 0.00 H new ATOM 0 HG23 THR A 55 1.850 -5.832 -6.139 1.00 0.00 H new ATOM 843 N PHE A 56 -0.769 -5.169 -5.329 1.00 0.00 N ATOM 844 CA PHE A 56 -1.068 -5.812 -4.061 1.00 0.00 C ATOM 845 C PHE A 56 -0.310 -7.135 -3.926 1.00 0.00 C ATOM 846 O PHE A 56 -0.902 -8.162 -3.597 1.00 0.00 O ATOM 847 CB PHE A 56 -2.571 -6.096 -4.046 1.00 0.00 C ATOM 848 CG PHE A 56 -3.437 -4.851 -3.837 1.00 0.00 C ATOM 849 CD1 PHE A 56 -3.157 -3.991 -2.822 1.00 0.00 C ATOM 850 CD2 PHE A 56 -4.486 -4.606 -4.667 1.00 0.00 C ATOM 851 CE1 PHE A 56 -3.960 -2.837 -2.627 1.00 0.00 C ATOM 852 CE2 PHE A 56 -5.289 -3.451 -4.472 1.00 0.00 C ATOM 853 CZ PHE A 56 -5.010 -2.591 -3.457 1.00 0.00 C ATOM 0 H PHE A 56 -1.285 -5.539 -6.127 1.00 0.00 H new ATOM 0 HA PHE A 56 -0.768 -5.165 -3.236 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -2.851 -6.567 -4.988 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -2.787 -6.814 -3.254 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -2.323 -4.186 -2.164 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -4.708 -5.289 -5.474 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -3.738 -2.154 -1.820 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -6.122 -3.256 -5.131 1.00 0.00 H new ATOM 0 HZ PHE A 56 -5.621 -1.713 -3.309 1.00 0.00 H new ATOM 863 N ASP A 57 0.987 -7.066 -4.187 1.00 0.00 N ATOM 864 CA ASP A 57 1.831 -8.246 -4.098 1.00 0.00 C ATOM 865 C ASP A 57 2.761 -8.112 -2.891 1.00 0.00 C ATOM 866 O ASP A 57 3.710 -7.329 -2.917 1.00 0.00 O ATOM 867 CB ASP A 57 2.699 -8.396 -5.349 1.00 0.00 C ATOM 868 CG ASP A 57 3.464 -9.718 -5.450 1.00 0.00 C ATOM 869 OD1 ASP A 57 3.194 -10.596 -4.602 1.00 0.00 O ATOM 870 OD2 ASP A 57 4.301 -9.820 -6.372 1.00 0.00 O ATOM 0 H ASP A 57 1.474 -6.212 -4.460 1.00 0.00 H new ATOM 0 HA ASP A 57 1.184 -9.118 -4.000 1.00 0.00 H new ATOM 0 HB2 ASP A 57 2.063 -8.293 -6.229 1.00 0.00 H new ATOM 0 HB3 ASP A 57 3.416 -7.575 -5.376 1.00 0.00 H new ATOM 875 N LEU A 58 2.457 -8.889 -1.861 1.00 0.00 N ATOM 876 CA LEU A 58 3.254 -8.867 -0.646 1.00 0.00 C ATOM 877 C LEU A 58 4.730 -9.044 -1.006 1.00 0.00 C ATOM 878 O LEU A 58 5.610 -8.583 -0.281 1.00 0.00 O ATOM 879 CB LEU A 58 2.736 -9.904 0.353 1.00 0.00 C ATOM 880 CG LEU A 58 3.289 -9.799 1.776 1.00 0.00 C ATOM 881 CD1 LEU A 58 2.408 -8.896 2.641 1.00 0.00 C ATOM 882 CD2 LEU A 58 3.472 -11.185 2.396 1.00 0.00 C ATOM 0 H LEU A 58 1.670 -9.537 -1.843 1.00 0.00 H new ATOM 0 HA LEU A 58 3.161 -7.903 -0.147 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.650 -9.824 0.400 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.966 -10.897 -0.033 1.00 0.00 H new ATOM 0 HG LEU A 58 4.274 -9.336 1.727 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.823 -8.838 3.647 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.372 -7.897 2.206 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.400 -9.308 2.688 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.866 -11.082 3.407 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.511 -11.697 2.432 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.170 -11.765 1.792 1.00 0.00 H new ATOM 894 N THR A 59 4.956 -9.714 -2.127 1.00 0.00 N ATOM 895 CA THR A 59 6.311 -9.958 -2.592 1.00 0.00 C ATOM 896 C THR A 59 7.019 -8.635 -2.892 1.00 0.00 C ATOM 897 O THR A 59 8.098 -8.371 -2.364 1.00 0.00 O ATOM 898 CB THR A 59 6.234 -10.894 -3.801 1.00 0.00 C ATOM 899 OG1 THR A 59 5.687 -12.099 -3.273 1.00 0.00 O ATOM 900 CG2 THR A 59 7.617 -11.305 -4.311 1.00 0.00 C ATOM 0 H THR A 59 4.224 -10.095 -2.726 1.00 0.00 H new ATOM 0 HA THR A 59 6.912 -10.444 -1.823 1.00 0.00 H new ATOM 0 HB THR A 59 5.681 -10.406 -4.603 1.00 0.00 H new ATOM 0 HG1 THR A 59 5.601 -12.761 -3.990 1.00 0.00 H new ATOM 0 HG21 THR A 59 7.506 -11.968 -5.169 1.00 0.00 H new ATOM 0 HG22 THR A 59 8.174 -10.417 -4.609 1.00 0.00 H new ATOM 0 HG23 THR A 59 8.158 -11.823 -3.519 1.00 0.00 H new ATOM 908 N VAL A 60 6.382 -7.839 -3.738 1.00 0.00 N ATOM 909 CA VAL A 60 6.937 -6.550 -4.114 1.00 0.00 C ATOM 910 C VAL A 60 6.858 -5.598 -2.919 1.00 0.00 C ATOM 911 O VAL A 60 7.791 -4.837 -2.664 1.00 0.00 O ATOM 912 CB VAL A 60 6.220 -6.013 -5.354 1.00 0.00 C ATOM 913 CG1 VAL A 60 4.987 -5.196 -4.964 1.00 0.00 C ATOM 914 CG2 VAL A 60 7.171 -5.189 -6.224 1.00 0.00 C ATOM 0 H VAL A 60 5.487 -8.062 -4.174 1.00 0.00 H new ATOM 0 HA VAL A 60 7.989 -6.650 -4.381 1.00 0.00 H new ATOM 0 HB VAL A 60 5.884 -6.867 -5.942 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.496 -4.826 -5.864 1.00 0.00 H new ATOM 0 HG12 VAL A 60 4.295 -5.826 -4.406 1.00 0.00 H new ATOM 0 HG13 VAL A 60 5.291 -4.353 -4.344 1.00 0.00 H new ATOM 0 HG21 VAL A 60 6.636 -4.819 -7.099 1.00 0.00 H new ATOM 0 HG22 VAL A 60 7.552 -4.345 -5.648 1.00 0.00 H new ATOM 0 HG23 VAL A 60 8.004 -5.814 -6.546 1.00 0.00 H new ATOM 924 N ILE A 61 5.737 -5.670 -2.218 1.00 0.00 N ATOM 925 CA ILE A 61 5.524 -4.824 -1.056 1.00 0.00 C ATOM 926 C ILE A 61 6.685 -5.009 -0.077 1.00 0.00 C ATOM 927 O ILE A 61 7.274 -4.033 0.385 1.00 0.00 O ATOM 928 CB ILE A 61 4.150 -5.095 -0.440 1.00 0.00 C ATOM 929 CG1 ILE A 61 3.029 -4.661 -1.386 1.00 0.00 C ATOM 930 CG2 ILE A 61 4.027 -4.436 0.936 1.00 0.00 C ATOM 931 CD1 ILE A 61 1.731 -5.409 -1.077 1.00 0.00 C ATOM 0 H ILE A 61 4.965 -6.302 -2.432 1.00 0.00 H new ATOM 0 HA ILE A 61 5.515 -3.773 -1.346 1.00 0.00 H new ATOM 0 HB ILE A 61 4.048 -6.170 -0.293 1.00 0.00 H new ATOM 0 HG12 ILE A 61 2.865 -3.587 -1.293 1.00 0.00 H new ATOM 0 HG13 ILE A 61 3.325 -4.850 -2.418 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.041 -4.644 1.352 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.793 -4.836 1.601 1.00 0.00 H new ATOM 0 HG23 ILE A 61 4.159 -3.359 0.837 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.950 -5.082 -1.764 1.00 0.00 H new ATOM 0 HD12 ILE A 61 1.892 -6.481 -1.194 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.425 -5.198 -0.052 1.00 0.00 H new ATOM 943 N PHE A 62 6.980 -6.268 0.211 1.00 0.00 N ATOM 944 CA PHE A 62 8.059 -6.594 1.127 1.00 0.00 C ATOM 945 C PHE A 62 9.361 -5.909 0.705 1.00 0.00 C ATOM 946 O PHE A 62 10.157 -5.506 1.552 1.00 0.00 O ATOM 947 CB PHE A 62 8.253 -8.110 1.070 1.00 0.00 C ATOM 948 CG PHE A 62 7.829 -8.841 2.346 1.00 0.00 C ATOM 949 CD1 PHE A 62 6.553 -8.728 2.801 1.00 0.00 C ATOM 950 CD2 PHE A 62 8.729 -9.602 3.024 1.00 0.00 C ATOM 951 CE1 PHE A 62 6.160 -9.406 3.986 1.00 0.00 C ATOM 952 CE2 PHE A 62 8.336 -10.280 4.208 1.00 0.00 C ATOM 953 CZ PHE A 62 7.060 -10.167 4.664 1.00 0.00 C ATOM 0 H PHE A 62 6.490 -7.075 -0.174 1.00 0.00 H new ATOM 0 HA PHE A 62 7.809 -6.254 2.132 1.00 0.00 H new ATOM 0 HB2 PHE A 62 7.684 -8.507 0.230 1.00 0.00 H new ATOM 0 HB3 PHE A 62 9.303 -8.324 0.873 1.00 0.00 H new ATOM 0 HD1 PHE A 62 5.839 -8.123 2.262 1.00 0.00 H new ATOM 0 HD2 PHE A 62 9.743 -9.691 2.662 1.00 0.00 H new ATOM 0 HE1 PHE A 62 5.146 -9.317 4.348 1.00 0.00 H new ATOM 0 HE2 PHE A 62 9.050 -10.885 4.746 1.00 0.00 H new ATOM 0 HZ PHE A 62 6.761 -10.682 5.565 1.00 0.00 H new ATOM 963 N GLU A 63 9.537 -5.798 -0.603 1.00 0.00 N ATOM 964 CA GLU A 63 10.729 -5.169 -1.147 1.00 0.00 C ATOM 965 C GLU A 63 10.712 -3.666 -0.864 1.00 0.00 C ATOM 966 O GLU A 63 11.675 -3.120 -0.329 1.00 0.00 O ATOM 967 CB GLU A 63 10.857 -5.444 -2.647 1.00 0.00 C ATOM 968 CG GLU A 63 11.491 -6.813 -2.902 1.00 0.00 C ATOM 969 CD GLU A 63 13.012 -6.699 -3.020 1.00 0.00 C ATOM 970 OE1 GLU A 63 13.463 -6.162 -4.055 1.00 0.00 O ATOM 971 OE2 GLU A 63 13.691 -7.152 -2.073 1.00 0.00 O ATOM 0 H GLU A 63 8.874 -6.133 -1.302 1.00 0.00 H new ATOM 0 HA GLU A 63 11.601 -5.601 -0.656 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.873 -5.403 -3.113 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.463 -4.666 -3.112 1.00 0.00 H new ATOM 0 HG2 GLU A 63 11.236 -7.493 -2.089 1.00 0.00 H new ATOM 0 HG3 GLU A 63 11.083 -7.242 -3.817 1.00 0.00 H new ATOM 978 N VAL A 64 9.606 -3.038 -1.237 1.00 0.00 N ATOM 979 CA VAL A 64 9.451 -1.609 -1.031 1.00 0.00 C ATOM 980 C VAL A 64 9.517 -1.304 0.467 1.00 0.00 C ATOM 981 O VAL A 64 10.123 -0.316 0.877 1.00 0.00 O ATOM 982 CB VAL A 64 8.154 -1.123 -1.682 1.00 0.00 C ATOM 983 CG1 VAL A 64 7.741 0.243 -1.131 1.00 0.00 C ATOM 984 CG2 VAL A 64 8.289 -1.082 -3.206 1.00 0.00 C ATOM 0 H VAL A 64 8.809 -3.494 -1.681 1.00 0.00 H new ATOM 0 HA VAL A 64 10.264 -1.064 -1.511 1.00 0.00 H new ATOM 0 HB VAL A 64 7.367 -1.835 -1.434 1.00 0.00 H new ATOM 0 HG11 VAL A 64 6.817 0.564 -1.611 1.00 0.00 H new ATOM 0 HG12 VAL A 64 7.585 0.169 -0.055 1.00 0.00 H new ATOM 0 HG13 VAL A 64 8.527 0.970 -1.334 1.00 0.00 H new ATOM 0 HG21 VAL A 64 7.354 -0.733 -3.645 1.00 0.00 H new ATOM 0 HG22 VAL A 64 9.095 -0.402 -3.482 1.00 0.00 H new ATOM 0 HG23 VAL A 64 8.514 -2.081 -3.578 1.00 0.00 H new ATOM 994 N LYS A 65 8.885 -2.172 1.244 1.00 0.00 N ATOM 995 CA LYS A 65 8.865 -2.009 2.687 1.00 0.00 C ATOM 996 C LYS A 65 10.290 -2.130 3.230 1.00 0.00 C ATOM 997 O LYS A 65 10.746 -1.272 3.984 1.00 0.00 O ATOM 998 CB LYS A 65 7.878 -2.990 3.324 1.00 0.00 C ATOM 999 CG LYS A 65 8.024 -3.004 4.847 1.00 0.00 C ATOM 1000 CD LYS A 65 7.407 -4.269 5.446 1.00 0.00 C ATOM 1001 CE LYS A 65 8.184 -4.726 6.682 1.00 0.00 C ATOM 1002 NZ LYS A 65 8.642 -6.124 6.520 1.00 0.00 N ATOM 0 H LYS A 65 8.383 -2.991 0.901 1.00 0.00 H new ATOM 0 HA LYS A 65 8.506 -1.015 2.953 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.859 -2.712 3.055 1.00 0.00 H new ATOM 0 HB3 LYS A 65 8.050 -3.992 2.929 1.00 0.00 H new ATOM 0 HG2 LYS A 65 9.079 -2.948 5.115 1.00 0.00 H new ATOM 0 HG3 LYS A 65 7.540 -2.124 5.270 1.00 0.00 H new ATOM 0 HD2 LYS A 65 6.368 -4.079 5.715 1.00 0.00 H new ATOM 0 HD3 LYS A 65 7.403 -5.064 4.700 1.00 0.00 H new ATOM 0 HE2 LYS A 65 9.042 -4.073 6.842 1.00 0.00 H new ATOM 0 HE3 LYS A 65 7.552 -4.644 7.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 9.167 -6.418 7.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 7.819 -6.746 6.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 9.262 -6.192 5.688 1.00 0.00 H new ATOM 1016 N ALA A 66 10.954 -3.203 2.825 1.00 0.00 N ATOM 1017 CA ALA A 66 12.318 -3.448 3.262 1.00 0.00 C ATOM 1018 C ALA A 66 13.188 -2.241 2.903 1.00 0.00 C ATOM 1019 O ALA A 66 14.212 -1.998 3.540 1.00 0.00 O ATOM 1020 CB ALA A 66 12.831 -4.744 2.632 1.00 0.00 C ATOM 0 H ALA A 66 10.573 -3.912 2.199 1.00 0.00 H new ATOM 0 HA ALA A 66 12.358 -3.574 4.344 1.00 0.00 H new ATOM 0 HB1 ALA A 66 13.854 -4.928 2.960 1.00 0.00 H new ATOM 0 HB2 ALA A 66 12.196 -5.575 2.941 1.00 0.00 H new ATOM 0 HB3 ALA A 66 12.809 -4.654 1.546 1.00 0.00 H new ATOM 1026 N ILE A 67 12.748 -1.517 1.884 1.00 0.00 N ATOM 1027 CA ILE A 67 13.474 -0.341 1.433 1.00 0.00 C ATOM 1028 C ILE A 67 13.209 0.817 2.397 1.00 0.00 C ATOM 1029 O ILE A 67 14.143 1.470 2.860 1.00 0.00 O ATOM 1030 CB ILE A 67 13.125 -0.022 -0.022 1.00 0.00 C ATOM 1031 CG1 ILE A 67 13.706 -1.075 -0.968 1.00 0.00 C ATOM 1032 CG2 ILE A 67 13.571 1.393 -0.395 1.00 0.00 C ATOM 1033 CD1 ILE A 67 13.028 -1.014 -2.339 1.00 0.00 C ATOM 0 H ILE A 67 11.898 -1.722 1.358 1.00 0.00 H new ATOM 0 HA ILE A 67 14.548 -0.528 1.446 1.00 0.00 H new ATOM 0 HB ILE A 67 12.041 -0.056 -0.129 1.00 0.00 H new ATOM 0 HG12 ILE A 67 14.778 -0.915 -1.081 1.00 0.00 H new ATOM 0 HG13 ILE A 67 13.575 -2.068 -0.537 1.00 0.00 H new ATOM 0 HG21 ILE A 67 13.311 1.594 -1.434 1.00 0.00 H new ATOM 0 HG22 ILE A 67 13.070 2.114 0.251 1.00 0.00 H new ATOM 0 HG23 ILE A 67 14.650 1.480 -0.268 1.00 0.00 H new ATOM 0 HD11 ILE A 67 13.459 -1.773 -2.992 1.00 0.00 H new ATOM 0 HD12 ILE A 67 11.960 -1.198 -2.225 1.00 0.00 H new ATOM 0 HD13 ILE A 67 13.182 -0.028 -2.777 1.00 0.00 H new ATOM 1045 N VAL A 68 11.932 1.037 2.671 1.00 0.00 N ATOM 1046 CA VAL A 68 11.532 2.105 3.571 1.00 0.00 C ATOM 1047 C VAL A 68 11.972 1.758 4.995 1.00 0.00 C ATOM 1048 O VAL A 68 12.339 2.641 5.768 1.00 0.00 O ATOM 1049 CB VAL A 68 10.027 2.353 3.454 1.00 0.00 C ATOM 1050 CG1 VAL A 68 9.558 2.206 2.006 1.00 0.00 C ATOM 1051 CG2 VAL A 68 9.245 1.421 4.381 1.00 0.00 C ATOM 0 H VAL A 68 11.160 0.493 2.285 1.00 0.00 H new ATOM 0 HA VAL A 68 12.023 3.039 3.297 1.00 0.00 H new ATOM 0 HB VAL A 68 9.831 3.379 3.767 1.00 0.00 H new ATOM 0 HG11 VAL A 68 8.485 2.387 1.951 1.00 0.00 H new ATOM 0 HG12 VAL A 68 10.081 2.928 1.379 1.00 0.00 H new ATOM 0 HG13 VAL A 68 9.774 1.197 1.654 1.00 0.00 H new ATOM 0 HG21 VAL A 68 8.178 1.618 4.279 1.00 0.00 H new ATOM 0 HG22 VAL A 68 9.450 0.385 4.113 1.00 0.00 H new ATOM 0 HG23 VAL A 68 9.549 1.596 5.413 1.00 0.00 H new ATOM 1061 N PHE A 69 11.921 0.469 5.298 1.00 0.00 N ATOM 1062 CA PHE A 69 12.310 -0.006 6.615 1.00 0.00 C ATOM 1063 C PHE A 69 13.805 -0.329 6.662 1.00 0.00 C ATOM 1064 O PHE A 69 14.224 -1.248 7.364 1.00 0.00 O ATOM 1065 CB PHE A 69 11.516 -1.286 6.881 1.00 0.00 C ATOM 1066 CG PHE A 69 10.106 -1.042 7.424 1.00 0.00 C ATOM 1067 CD1 PHE A 69 9.065 -0.883 6.564 1.00 0.00 C ATOM 1068 CD2 PHE A 69 9.895 -0.985 8.766 1.00 0.00 C ATOM 1069 CE1 PHE A 69 7.756 -0.656 7.068 1.00 0.00 C ATOM 1070 CE2 PHE A 69 8.587 -0.759 9.270 1.00 0.00 C ATOM 1071 CZ PHE A 69 7.545 -0.599 8.411 1.00 0.00 C ATOM 0 H PHE A 69 11.616 -0.261 4.654 1.00 0.00 H new ATOM 0 HA PHE A 69 12.108 0.762 7.362 1.00 0.00 H new ATOM 0 HB2 PHE A 69 11.444 -1.856 5.955 1.00 0.00 H new ATOM 0 HB3 PHE A 69 12.067 -1.902 7.592 1.00 0.00 H new ATOM 0 HD1 PHE A 69 9.233 -0.929 5.498 1.00 0.00 H new ATOM 0 HD2 PHE A 69 10.722 -1.112 9.449 1.00 0.00 H new ATOM 0 HE1 PHE A 69 6.929 -0.529 6.385 1.00 0.00 H new ATOM 0 HE2 PHE A 69 8.420 -0.714 10.336 1.00 0.00 H new ATOM 0 HZ PHE A 69 6.550 -0.427 8.795 1.00 0.00 H new ATOM 1081 N GLN A 70 14.569 0.446 5.906 1.00 0.00 N ATOM 1082 CA GLN A 70 16.008 0.254 5.852 1.00 0.00 C ATOM 1083 C GLN A 70 16.683 0.969 7.025 1.00 0.00 C ATOM 1084 O GLN A 70 16.069 1.811 7.679 1.00 0.00 O ATOM 1085 CB GLN A 70 16.577 0.736 4.516 1.00 0.00 C ATOM 1086 CG GLN A 70 16.392 2.246 4.354 1.00 0.00 C ATOM 1087 CD GLN A 70 16.996 2.734 3.036 1.00 0.00 C ATOM 1088 OE1 GLN A 70 17.906 3.547 3.003 1.00 0.00 O ATOM 1089 NE2 GLN A 70 16.441 2.195 1.954 1.00 0.00 N ATOM 0 H GLN A 70 14.218 1.208 5.326 1.00 0.00 H new ATOM 0 HA GLN A 70 16.215 -0.813 5.933 1.00 0.00 H new ATOM 0 HB2 GLN A 70 17.637 0.487 4.457 1.00 0.00 H new ATOM 0 HB3 GLN A 70 16.081 0.215 3.697 1.00 0.00 H new ATOM 0 HG2 GLN A 70 15.330 2.491 4.384 1.00 0.00 H new ATOM 0 HG3 GLN A 70 16.863 2.765 5.188 1.00 0.00 H new ATOM 0 HE21 GLN A 70 15.683 1.520 2.052 1.00 0.00 H new ATOM 0 HE22 GLN A 70 16.774 2.457 1.026 1.00 0.00 H new ATOM 1149 N HIS A 76 12.312 5.587 5.378 1.00 0.00 N ATOM 1150 CA HIS A 76 11.114 6.407 5.316 1.00 0.00 C ATOM 1151 C HIS A 76 10.142 5.978 6.418 1.00 0.00 C ATOM 1152 O HIS A 76 9.354 5.053 6.231 1.00 0.00 O ATOM 1153 CB HIS A 76 10.489 6.352 3.921 1.00 0.00 C ATOM 1154 CG HIS A 76 11.488 6.134 2.809 1.00 0.00 C ATOM 1155 ND1 HIS A 76 12.451 7.069 2.472 1.00 0.00 N ATOM 1156 CD2 HIS A 76 11.663 5.079 1.963 1.00 0.00 C ATOM 1157 CE1 HIS A 76 13.167 6.588 1.467 1.00 0.00 C ATOM 1158 NE2 HIS A 76 12.677 5.355 1.152 1.00 0.00 N ATOM 0 HA HIS A 76 11.374 7.451 5.493 1.00 0.00 H new ATOM 0 HB2 HIS A 76 9.752 5.550 3.896 1.00 0.00 H new ATOM 0 HB3 HIS A 76 9.953 7.283 3.737 1.00 0.00 H new ATOM 0 HD2 HIS A 76 11.076 4.172 1.954 1.00 0.00 H new ATOM 0 HE1 HIS A 76 13.994 7.085 0.982 1.00 0.00 H new ATOM 0 HE2 HIS A 76 13.031 4.745 0.415 1.00 0.00 H new ATOM 1166 N PRO A 77 10.232 6.691 7.573 1.00 0.00 N ATOM 1167 CA PRO A 77 9.371 6.395 8.705 1.00 0.00 C ATOM 1168 C PRO A 77 7.949 6.905 8.460 1.00 0.00 C ATOM 1169 O PRO A 77 7.043 6.628 9.244 1.00 0.00 O ATOM 1170 CB PRO A 77 10.043 7.058 9.895 1.00 0.00 C ATOM 1171 CG PRO A 77 11.000 8.087 9.314 1.00 0.00 C ATOM 1172 CD PRO A 77 11.154 7.794 7.830 1.00 0.00 C ATOM 0 HA PRO A 77 9.255 5.325 8.876 1.00 0.00 H new ATOM 0 HB2 PRO A 77 9.307 7.532 10.545 1.00 0.00 H new ATOM 0 HB3 PRO A 77 10.577 6.325 10.500 1.00 0.00 H new ATOM 0 HG2 PRO A 77 10.615 9.095 9.466 1.00 0.00 H new ATOM 0 HG3 PRO A 77 11.966 8.036 9.816 1.00 0.00 H new ATOM 0 HD2 PRO A 77 10.906 8.667 7.226 1.00 0.00 H new ATOM 0 HD3 PRO A 77 12.180 7.518 7.585 1.00 0.00 H new ATOM 1180 N ASP A 78 7.799 7.642 7.369 1.00 0.00 N ATOM 1181 CA ASP A 78 6.503 8.193 7.011 1.00 0.00 C ATOM 1182 C ASP A 78 5.731 7.170 6.175 1.00 0.00 C ATOM 1183 O ASP A 78 4.513 7.053 6.300 1.00 0.00 O ATOM 1184 CB ASP A 78 6.658 9.466 6.176 1.00 0.00 C ATOM 1185 CG ASP A 78 6.187 10.750 6.861 1.00 0.00 C ATOM 1186 OD1 ASP A 78 5.332 10.630 7.765 1.00 0.00 O ATOM 1187 OD2 ASP A 78 6.692 11.822 6.465 1.00 0.00 O ATOM 0 H ASP A 78 8.553 7.870 6.721 1.00 0.00 H new ATOM 0 HA ASP A 78 5.970 8.428 7.933 1.00 0.00 H new ATOM 0 HB2 ASP A 78 7.708 9.580 5.906 1.00 0.00 H new ATOM 0 HB3 ASP A 78 6.102 9.343 5.247 1.00 0.00 H new ATOM 1192 N GLN A 79 6.472 6.454 5.342 1.00 0.00 N ATOM 1193 CA GLN A 79 5.872 5.445 4.486 1.00 0.00 C ATOM 1194 C GLN A 79 5.810 4.101 5.214 1.00 0.00 C ATOM 1195 O GLN A 79 5.071 3.205 4.808 1.00 0.00 O ATOM 1196 CB GLN A 79 6.638 5.319 3.167 1.00 0.00 C ATOM 1197 CG GLN A 79 6.497 6.591 2.328 1.00 0.00 C ATOM 1198 CD GLN A 79 7.810 7.375 2.297 1.00 0.00 C ATOM 1199 OE1 GLN A 79 7.960 8.411 2.924 1.00 0.00 O ATOM 1200 NE2 GLN A 79 8.751 6.826 1.534 1.00 0.00 N ATOM 0 H GLN A 79 7.482 6.553 5.242 1.00 0.00 H new ATOM 0 HA GLN A 79 4.854 5.756 4.249 1.00 0.00 H new ATOM 0 HB2 GLN A 79 7.692 5.128 3.371 1.00 0.00 H new ATOM 0 HB3 GLN A 79 6.262 4.464 2.604 1.00 0.00 H new ATOM 0 HG2 GLN A 79 6.201 6.330 1.312 1.00 0.00 H new ATOM 0 HG3 GLN A 79 5.705 7.217 2.740 1.00 0.00 H new ATOM 0 HE21 GLN A 79 8.560 5.957 1.035 1.00 0.00 H new ATOM 0 HE22 GLN A 79 9.663 7.274 1.448 1.00 0.00 H new ATOM 1209 N GLN A 80 6.595 4.003 6.277 1.00 0.00 N ATOM 1210 CA GLN A 80 6.638 2.783 7.065 1.00 0.00 C ATOM 1211 C GLN A 80 5.221 2.329 7.419 1.00 0.00 C ATOM 1212 O GLN A 80 4.875 1.162 7.238 1.00 0.00 O ATOM 1213 CB GLN A 80 7.483 2.975 8.326 1.00 0.00 C ATOM 1214 CG GLN A 80 8.892 2.411 8.133 1.00 0.00 C ATOM 1215 CD GLN A 80 9.869 3.020 9.141 1.00 0.00 C ATOM 1216 OE1 GLN A 80 9.612 3.086 10.331 1.00 0.00 O ATOM 1217 NE2 GLN A 80 11.001 3.460 8.598 1.00 0.00 N ATOM 0 H GLN A 80 7.206 4.748 6.611 1.00 0.00 H new ATOM 0 HA GLN A 80 7.109 2.003 6.466 1.00 0.00 H new ATOM 0 HB2 GLN A 80 7.542 4.036 8.570 1.00 0.00 H new ATOM 0 HB3 GLN A 80 7.002 2.480 9.169 1.00 0.00 H new ATOM 0 HG2 GLN A 80 8.873 1.327 8.249 1.00 0.00 H new ATOM 0 HG3 GLN A 80 9.234 2.617 7.119 1.00 0.00 H new ATOM 0 HE21 GLN A 80 11.152 3.374 7.593 1.00 0.00 H new ATOM 0 HE22 GLN A 80 11.718 3.884 9.187 1.00 0.00 H new ATOM 1226 N PRO A 81 4.417 3.300 7.929 1.00 0.00 N ATOM 1227 CA PRO A 81 3.044 3.012 8.310 1.00 0.00 C ATOM 1228 C PRO A 81 2.151 2.873 7.075 1.00 0.00 C ATOM 1229 O PRO A 81 1.100 2.235 7.134 1.00 0.00 O ATOM 1230 CB PRO A 81 2.636 4.165 9.212 1.00 0.00 C ATOM 1231 CG PRO A 81 3.625 5.284 8.931 1.00 0.00 C ATOM 1232 CD PRO A 81 4.791 4.692 8.157 1.00 0.00 C ATOM 0 HA PRO A 81 2.942 2.061 8.832 1.00 0.00 H new ATOM 0 HB2 PRO A 81 1.615 4.484 9.001 1.00 0.00 H new ATOM 0 HB3 PRO A 81 2.667 3.870 10.261 1.00 0.00 H new ATOM 0 HG2 PRO A 81 3.149 6.078 8.356 1.00 0.00 H new ATOM 0 HG3 PRO A 81 3.972 5.729 9.863 1.00 0.00 H new ATOM 0 HD2 PRO A 81 4.949 5.219 7.216 1.00 0.00 H new ATOM 0 HD3 PRO A 81 5.720 4.765 8.723 1.00 0.00 H new ATOM 1240 N TYR A 82 2.601 3.479 5.987 1.00 0.00 N ATOM 1241 CA TYR A 82 1.855 3.431 4.741 1.00 0.00 C ATOM 1242 C TYR A 82 2.023 2.074 4.054 1.00 0.00 C ATOM 1243 O TYR A 82 1.040 1.445 3.665 1.00 0.00 O ATOM 1244 CB TYR A 82 2.455 4.519 3.848 1.00 0.00 C ATOM 1245 CG TYR A 82 2.041 5.940 4.235 1.00 0.00 C ATOM 1246 CD1 TYR A 82 2.204 6.377 5.534 1.00 0.00 C ATOM 1247 CD2 TYR A 82 1.505 6.785 3.284 1.00 0.00 C ATOM 1248 CE1 TYR A 82 1.814 7.714 5.898 1.00 0.00 C ATOM 1249 CE2 TYR A 82 1.115 8.122 3.648 1.00 0.00 C ATOM 1250 CZ TYR A 82 1.289 8.521 4.937 1.00 0.00 C ATOM 1251 OH TYR A 82 0.920 9.784 5.281 1.00 0.00 O ATOM 0 H TYR A 82 3.473 4.006 5.942 1.00 0.00 H new ATOM 0 HA TYR A 82 0.791 3.581 4.924 1.00 0.00 H new ATOM 0 HB2 TYR A 82 3.542 4.446 3.884 1.00 0.00 H new ATOM 0 HB3 TYR A 82 2.157 4.333 2.816 1.00 0.00 H new ATOM 0 HD1 TYR A 82 2.624 5.716 6.277 1.00 0.00 H new ATOM 0 HD2 TYR A 82 1.378 6.443 2.267 1.00 0.00 H new ATOM 0 HE1 TYR A 82 1.935 8.068 6.911 1.00 0.00 H new ATOM 0 HE2 TYR A 82 0.694 8.793 2.914 1.00 0.00 H new ATOM 0 HH TYR A 82 1.679 10.392 5.157 1.00 0.00 H new ATOM 1261 N ILE A 83 3.276 1.663 3.925 1.00 0.00 N ATOM 1262 CA ILE A 83 3.585 0.392 3.292 1.00 0.00 C ATOM 1263 C ILE A 83 2.985 -0.745 4.121 1.00 0.00 C ATOM 1264 O ILE A 83 2.622 -1.789 3.579 1.00 0.00 O ATOM 1265 CB ILE A 83 5.092 0.259 3.065 1.00 0.00 C ATOM 1266 CG1 ILE A 83 5.393 -0.746 1.951 1.00 0.00 C ATOM 1267 CG2 ILE A 83 5.813 -0.097 4.367 1.00 0.00 C ATOM 1268 CD1 ILE A 83 4.868 -0.244 0.604 1.00 0.00 C ATOM 0 H ILE A 83 4.089 2.188 4.248 1.00 0.00 H new ATOM 0 HA ILE A 83 3.131 0.339 2.302 1.00 0.00 H new ATOM 0 HB ILE A 83 5.474 1.226 2.738 1.00 0.00 H new ATOM 0 HG12 ILE A 83 6.468 -0.913 1.887 1.00 0.00 H new ATOM 0 HG13 ILE A 83 4.935 -1.706 2.189 1.00 0.00 H new ATOM 0 HG21 ILE A 83 6.883 -0.186 4.178 1.00 0.00 H new ATOM 0 HG22 ILE A 83 5.639 0.686 5.105 1.00 0.00 H new ATOM 0 HG23 ILE A 83 5.432 -1.045 4.746 1.00 0.00 H new ATOM 0 HD11 ILE A 83 5.095 -0.976 -0.171 1.00 0.00 H new ATOM 0 HD12 ILE A 83 3.789 -0.102 0.664 1.00 0.00 H new ATOM 0 HD13 ILE A 83 5.346 0.704 0.358 1.00 0.00 H new ATOM 1280 N THR A 84 2.898 -0.506 5.421 1.00 0.00 N ATOM 1281 CA THR A 84 2.348 -1.497 6.330 1.00 0.00 C ATOM 1282 C THR A 84 0.912 -1.844 5.935 1.00 0.00 C ATOM 1283 O THR A 84 0.571 -3.016 5.784 1.00 0.00 O ATOM 1284 CB THR A 84 2.472 -0.952 7.754 1.00 0.00 C ATOM 1285 OG1 THR A 84 3.877 -0.904 7.987 1.00 0.00 O ATOM 1286 CG2 THR A 84 1.954 -1.937 8.805 1.00 0.00 C ATOM 0 H THR A 84 3.199 0.360 5.867 1.00 0.00 H new ATOM 0 HA THR A 84 2.902 -2.434 6.276 1.00 0.00 H new ATOM 0 HB THR A 84 1.922 -0.014 7.832 1.00 0.00 H new ATOM 0 HG1 THR A 84 4.161 0.029 8.083 1.00 0.00 H new ATOM 0 HG21 THR A 84 2.065 -1.501 9.798 1.00 0.00 H new ATOM 0 HG22 THR A 84 0.901 -2.149 8.617 1.00 0.00 H new ATOM 0 HG23 THR A 84 2.526 -2.863 8.749 1.00 0.00 H new ATOM 1294 N VAL A 85 0.107 -0.803 5.778 1.00 0.00 N ATOM 1295 CA VAL A 85 -1.285 -0.983 5.403 1.00 0.00 C ATOM 1296 C VAL A 85 -1.360 -1.813 4.120 1.00 0.00 C ATOM 1297 O VAL A 85 -2.136 -2.764 4.037 1.00 0.00 O ATOM 1298 CB VAL A 85 -1.973 0.378 5.275 1.00 0.00 C ATOM 1299 CG1 VAL A 85 -3.412 0.221 4.781 1.00 0.00 C ATOM 1300 CG2 VAL A 85 -1.928 1.142 6.600 1.00 0.00 C ATOM 0 H VAL A 85 0.393 0.168 5.904 1.00 0.00 H new ATOM 0 HA VAL A 85 -1.821 -1.532 6.177 1.00 0.00 H new ATOM 0 HB VAL A 85 -1.427 0.961 4.534 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -3.878 1.203 4.699 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -3.411 -0.263 3.804 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -3.975 -0.389 5.487 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -2.424 2.106 6.481 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -2.438 0.564 7.371 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -0.890 1.301 6.893 1.00 0.00 H new ATOM 1310 N TRP A 86 -0.544 -1.424 3.152 1.00 0.00 N ATOM 1311 CA TRP A 86 -0.508 -2.121 1.878 1.00 0.00 C ATOM 1312 C TRP A 86 -0.332 -3.614 2.160 1.00 0.00 C ATOM 1313 O TRP A 86 -1.076 -4.440 1.634 1.00 0.00 O ATOM 1314 CB TRP A 86 0.586 -1.551 0.972 1.00 0.00 C ATOM 1315 CG TRP A 86 0.156 -0.316 0.178 1.00 0.00 C ATOM 1316 CD1 TRP A 86 0.129 0.960 0.588 1.00 0.00 C ATOM 1317 CD2 TRP A 86 -0.310 -0.290 -1.187 1.00 0.00 C ATOM 1318 NE1 TRP A 86 -0.319 1.802 -0.409 1.00 0.00 N ATOM 1319 CE2 TRP A 86 -0.594 1.018 -1.523 1.00 0.00 C ATOM 1320 CE3 TRP A 86 -0.485 -1.338 -2.108 1.00 0.00 C ATOM 1321 CZ2 TRP A 86 -1.070 1.399 -2.783 1.00 0.00 C ATOM 1322 CZ3 TRP A 86 -0.962 -0.940 -3.363 1.00 0.00 C ATOM 1323 CH2 TRP A 86 -1.253 0.372 -3.717 1.00 0.00 C ATOM 0 H TRP A 86 0.098 -0.635 3.224 1.00 0.00 H new ATOM 0 HA TRP A 86 -1.441 -1.977 1.334 1.00 0.00 H new ATOM 0 HB2 TRP A 86 1.452 -1.294 1.582 1.00 0.00 H new ATOM 0 HB3 TRP A 86 0.906 -2.325 0.275 1.00 0.00 H new ATOM 0 HD1 TRP A 86 0.421 1.288 1.575 1.00 0.00 H new ATOM 0 HE1 TRP A 86 -0.428 2.814 -0.341 1.00 0.00 H new ATOM 0 HE3 TRP A 86 -0.269 -2.368 -1.867 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 -1.285 2.430 -3.022 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 -1.114 -1.707 -4.108 1.00 0.00 H new ATOM 0 HH2 TRP A 86 -1.619 0.598 -4.708 1.00 0.00 H new ATOM 1334 N GLN A 87 0.656 -3.915 2.990 1.00 0.00 N ATOM 1335 CA GLN A 87 0.938 -5.294 3.349 1.00 0.00 C ATOM 1336 C GLN A 87 -0.317 -5.963 3.914 1.00 0.00 C ATOM 1337 O GLN A 87 -0.527 -7.160 3.720 1.00 0.00 O ATOM 1338 CB GLN A 87 2.098 -5.376 4.343 1.00 0.00 C ATOM 1339 CG GLN A 87 2.249 -6.795 4.894 1.00 0.00 C ATOM 1340 CD GLN A 87 1.952 -6.836 6.394 1.00 0.00 C ATOM 1341 OE1 GLN A 87 0.839 -7.086 6.826 1.00 0.00 O ATOM 1342 NE2 GLN A 87 3.007 -6.576 7.161 1.00 0.00 N ATOM 0 H GLN A 87 1.271 -3.227 3.424 1.00 0.00 H new ATOM 0 HA GLN A 87 1.237 -5.829 2.448 1.00 0.00 H new ATOM 0 HB2 GLN A 87 3.023 -5.072 3.853 1.00 0.00 H new ATOM 0 HB3 GLN A 87 1.928 -4.679 5.164 1.00 0.00 H new ATOM 0 HG2 GLN A 87 1.572 -7.467 4.367 1.00 0.00 H new ATOM 0 HG3 GLN A 87 3.262 -7.154 4.710 1.00 0.00 H new ATOM 0 HE21 GLN A 87 3.911 -6.374 6.734 1.00 0.00 H new ATOM 0 HE22 GLN A 87 2.912 -6.578 8.177 1.00 0.00 H new ATOM 1351 N ASP A 88 -1.118 -5.162 4.600 1.00 0.00 N ATOM 1352 CA ASP A 88 -2.346 -5.662 5.195 1.00 0.00 C ATOM 1353 C ASP A 88 -3.386 -5.884 4.095 1.00 0.00 C ATOM 1354 O ASP A 88 -4.215 -6.787 4.193 1.00 0.00 O ATOM 1355 CB ASP A 88 -2.922 -4.657 6.195 1.00 0.00 C ATOM 1356 CG ASP A 88 -3.510 -5.274 7.465 1.00 0.00 C ATOM 1357 OD1 ASP A 88 -2.724 -5.469 8.418 1.00 0.00 O ATOM 1358 OD2 ASP A 88 -4.731 -5.538 7.456 1.00 0.00 O ATOM 0 H ASP A 88 -0.941 -4.170 4.757 1.00 0.00 H new ATOM 0 HA ASP A 88 -2.116 -6.594 5.712 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -2.135 -3.958 6.479 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -3.699 -4.077 5.697 1.00 0.00 H new ATOM 1363 N LEU A 89 -3.308 -5.044 3.072 1.00 0.00 N ATOM 1364 CA LEU A 89 -4.232 -5.137 1.955 1.00 0.00 C ATOM 1365 C LEU A 89 -4.047 -6.486 1.257 1.00 0.00 C ATOM 1366 O LEU A 89 -5.022 -7.176 0.964 1.00 0.00 O ATOM 1367 CB LEU A 89 -4.069 -3.935 1.024 1.00 0.00 C ATOM 1368 CG LEU A 89 -4.994 -2.746 1.295 1.00 0.00 C ATOM 1369 CD1 LEU A 89 -6.402 -3.219 1.662 1.00 0.00 C ATOM 1370 CD2 LEU A 89 -4.402 -1.824 2.362 1.00 0.00 C ATOM 0 H LEU A 89 -2.619 -4.296 2.994 1.00 0.00 H new ATOM 0 HA LEU A 89 -5.262 -5.099 2.308 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -3.037 -3.589 1.087 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -4.231 -4.270 -0.001 1.00 0.00 H new ATOM 0 HG LEU A 89 -5.080 -2.163 0.378 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -7.039 -2.355 1.850 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -6.816 -3.803 0.840 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -6.356 -3.837 2.559 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -5.079 -0.987 2.536 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -4.267 -2.380 3.290 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -3.438 -1.446 2.022 1.00 0.00 H new ATOM 1382 N VAL A 90 -2.789 -6.821 1.011 1.00 0.00 N ATOM 1383 CA VAL A 90 -2.464 -8.075 0.352 1.00 0.00 C ATOM 1384 C VAL A 90 -2.874 -9.241 1.254 1.00 0.00 C ATOM 1385 O VAL A 90 -3.418 -10.236 0.778 1.00 0.00 O ATOM 1386 CB VAL A 90 -0.980 -8.101 -0.020 1.00 0.00 C ATOM 1387 CG1 VAL A 90 -0.664 -7.054 -1.090 1.00 0.00 C ATOM 1388 CG2 VAL A 90 -0.101 -7.902 1.217 1.00 0.00 C ATOM 0 H VAL A 90 -1.983 -6.246 1.256 1.00 0.00 H new ATOM 0 HA VAL A 90 -3.021 -8.173 -0.580 1.00 0.00 H new ATOM 0 HB VAL A 90 -0.757 -9.083 -0.436 1.00 0.00 H new ATOM 0 HG11 VAL A 90 0.397 -7.094 -1.336 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -1.252 -7.259 -1.985 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -0.912 -6.062 -0.713 1.00 0.00 H new ATOM 0 HG21 VAL A 90 0.949 -7.925 0.925 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -0.330 -6.940 1.675 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -0.295 -8.700 1.934 1.00 0.00 H new ATOM 1398 N GLN A 91 -2.599 -9.079 2.540 1.00 0.00 N ATOM 1399 CA GLN A 91 -2.933 -10.106 3.512 1.00 0.00 C ATOM 1400 C GLN A 91 -4.450 -10.284 3.595 1.00 0.00 C ATOM 1401 O GLN A 91 -4.986 -11.293 3.140 1.00 0.00 O ATOM 1402 CB GLN A 91 -2.343 -9.774 4.884 1.00 0.00 C ATOM 1403 CG GLN A 91 -0.864 -10.159 4.953 1.00 0.00 C ATOM 1404 CD GLN A 91 -0.690 -11.567 5.527 1.00 0.00 C ATOM 1405 OE1 GLN A 91 -1.216 -11.908 6.574 1.00 0.00 O ATOM 1406 NE2 GLN A 91 0.075 -12.362 4.786 1.00 0.00 N ATOM 0 H GLN A 91 -2.149 -8.252 2.931 1.00 0.00 H new ATOM 0 HA GLN A 91 -2.494 -11.048 3.183 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -2.455 -8.708 5.083 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -2.897 -10.303 5.660 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -0.425 -10.112 3.956 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -0.326 -9.441 5.572 1.00 0.00 H new ATOM 0 HE21 GLN A 91 0.485 -12.013 3.920 1.00 0.00 H new ATOM 0 HE22 GLN A 91 0.252 -13.321 5.084 1.00 0.00 H new ATOM 1415 N ASN A 92 -5.100 -9.288 4.181 1.00 0.00 N ATOM 1416 CA ASN A 92 -6.545 -9.323 4.330 1.00 0.00 C ATOM 1417 C ASN A 92 -7.198 -8.853 3.029 1.00 0.00 C ATOM 1418 O ASN A 92 -7.683 -7.725 2.945 1.00 0.00 O ATOM 1419 CB ASN A 92 -7.005 -8.391 5.453 1.00 0.00 C ATOM 1420 CG ASN A 92 -6.711 -9.001 6.825 1.00 0.00 C ATOM 1421 OD1 ASN A 92 -7.392 -9.898 7.293 1.00 0.00 O ATOM 1422 ND2 ASN A 92 -5.661 -8.465 7.442 1.00 0.00 N ATOM 0 H ASN A 92 -4.652 -8.453 4.558 1.00 0.00 H new ATOM 0 HA ASN A 92 -6.835 -10.346 4.568 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -6.500 -7.429 5.363 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -8.074 -8.200 5.357 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -5.383 -8.803 8.363 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -5.134 -7.716 6.994 1.00 0.00 H new ATOM 1429 N SER A 93 -7.191 -9.741 2.046 1.00 0.00 N ATOM 1430 CA SER A 93 -7.778 -9.432 0.753 1.00 0.00 C ATOM 1431 C SER A 93 -9.220 -8.955 0.933 1.00 0.00 C ATOM 1432 O SER A 93 -10.094 -9.735 1.307 1.00 0.00 O ATOM 1433 CB SER A 93 -7.732 -10.646 -0.177 1.00 0.00 C ATOM 1434 OG SER A 93 -8.826 -11.531 0.047 1.00 0.00 O ATOM 0 H SER A 93 -6.788 -10.675 2.119 1.00 0.00 H new ATOM 0 HA SER A 93 -7.194 -8.635 0.294 1.00 0.00 H new ATOM 0 HB2 SER A 93 -7.744 -10.309 -1.214 1.00 0.00 H new ATOM 0 HB3 SER A 93 -6.795 -11.182 -0.027 1.00 0.00 H new ATOM 0 HG SER A 93 -9.326 -11.239 0.837 1.00 0.00 H new ATOM 1440 N PRO A 94 -9.430 -7.641 0.651 1.00 0.00 N ATOM 1441 CA PRO A 94 -10.752 -7.050 0.779 1.00 0.00 C ATOM 1442 C PRO A 94 -11.658 -7.479 -0.378 1.00 0.00 C ATOM 1443 O PRO A 94 -11.183 -8.020 -1.375 1.00 0.00 O ATOM 1444 CB PRO A 94 -10.510 -5.550 0.819 1.00 0.00 C ATOM 1445 CG PRO A 94 -9.118 -5.337 0.249 1.00 0.00 C ATOM 1446 CD PRO A 94 -8.420 -6.686 0.206 1.00 0.00 C ATOM 0 HA PRO A 94 -11.275 -7.379 1.677 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -11.258 -5.018 0.231 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -10.577 -5.171 1.839 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -9.177 -4.906 -0.750 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -8.556 -4.636 0.866 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -8.071 -6.919 -0.800 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -7.547 -6.701 0.858 1.00 0.00 H new ATOM 1454 N PRO A 95 -12.980 -7.215 -0.200 1.00 0.00 N ATOM 1455 CA PRO A 95 -13.956 -7.567 -1.217 1.00 0.00 C ATOM 1456 C PRO A 95 -13.887 -6.602 -2.402 1.00 0.00 C ATOM 1457 O PRO A 95 -14.276 -6.951 -3.515 1.00 0.00 O ATOM 1458 CB PRO A 95 -15.297 -7.534 -0.503 1.00 0.00 C ATOM 1459 CG PRO A 95 -15.077 -6.718 0.760 1.00 0.00 C ATOM 1460 CD PRO A 95 -13.578 -6.576 0.968 1.00 0.00 C ATOM 0 HA PRO A 95 -13.774 -8.550 -1.651 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -16.063 -7.081 -1.132 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -15.636 -8.542 -0.263 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -15.544 -5.738 0.667 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -15.536 -7.210 1.617 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -13.286 -5.528 1.039 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -13.259 -7.060 1.891 1.00 0.00 H new ATOM 1468 N TRP A 96 -13.387 -5.407 -2.123 1.00 0.00 N ATOM 1469 CA TRP A 96 -13.262 -4.389 -3.151 1.00 0.00 C ATOM 1470 C TRP A 96 -12.000 -4.690 -3.963 1.00 0.00 C ATOM 1471 O TRP A 96 -11.752 -4.058 -4.989 1.00 0.00 O ATOM 1472 CB TRP A 96 -13.257 -2.987 -2.538 1.00 0.00 C ATOM 1473 CG TRP A 96 -12.438 -2.873 -1.251 1.00 0.00 C ATOM 1474 CD1 TRP A 96 -12.811 -3.195 -0.005 1.00 0.00 C ATOM 1475 CD2 TRP A 96 -11.083 -2.390 -1.134 1.00 0.00 C ATOM 1476 NE1 TRP A 96 -11.800 -2.955 0.904 1.00 0.00 N ATOM 1477 CE2 TRP A 96 -10.716 -2.450 0.195 1.00 0.00 C ATOM 1478 CE3 TRP A 96 -10.197 -1.918 -2.118 1.00 0.00 C ATOM 1479 CZ2 TRP A 96 -9.457 -2.053 0.661 1.00 0.00 C ATOM 1480 CZ3 TRP A 96 -8.943 -1.525 -1.636 1.00 0.00 C ATOM 1481 CH2 TRP A 96 -8.558 -1.579 -0.302 1.00 0.00 C ATOM 0 H TRP A 96 -13.064 -5.121 -1.199 1.00 0.00 H new ATOM 0 HA TRP A 96 -14.122 -4.410 -3.821 1.00 0.00 H new ATOM 0 HB2 TRP A 96 -12.863 -2.283 -3.271 1.00 0.00 H new ATOM 0 HB3 TRP A 96 -14.285 -2.689 -2.330 1.00 0.00 H new ATOM 0 HD1 TRP A 96 -13.781 -3.592 0.256 1.00 0.00 H new ATOM 0 HE1 TRP A 96 -11.841 -3.118 1.910 1.00 0.00 H new ATOM 0 HE3 TRP A 96 -10.463 -1.863 -3.163 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 -9.193 -2.109 1.707 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 -8.224 -1.154 -2.351 1.00 0.00 H new ATOM 0 HH2 TRP A 96 -7.570 -1.257 -0.009 1.00 0.00 H new ATOM 1492 N ILE A 97 -11.237 -5.656 -3.474 1.00 0.00 N ATOM 1493 CA ILE A 97 -10.007 -6.049 -4.141 1.00 0.00 C ATOM 1494 C ILE A 97 -10.208 -7.409 -4.812 1.00 0.00 C ATOM 1495 O ILE A 97 -10.093 -7.527 -6.031 1.00 0.00 O ATOM 1496 CB ILE A 97 -8.832 -6.014 -3.162 1.00 0.00 C ATOM 1497 CG1 ILE A 97 -8.253 -4.602 -3.050 1.00 0.00 C ATOM 1498 CG2 ILE A 97 -7.766 -7.041 -3.549 1.00 0.00 C ATOM 1499 CD1 ILE A 97 -7.171 -4.537 -1.970 1.00 0.00 C ATOM 0 H ILE A 97 -11.447 -6.179 -2.623 1.00 0.00 H new ATOM 0 HA ILE A 97 -9.757 -5.338 -4.929 1.00 0.00 H new ATOM 0 HB ILE A 97 -9.202 -6.289 -2.174 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -7.833 -4.300 -4.009 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -9.050 -3.896 -2.815 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -6.942 -6.996 -2.837 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -8.202 -8.040 -3.536 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -7.394 -6.820 -4.549 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -6.776 -3.523 -1.911 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -7.600 -4.816 -1.008 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -6.365 -5.226 -2.221 1.00 0.00 H new