USER MOD reduce.3.24.130724 H: found=0, std=0, add=809, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 811 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 100 MET CE :methyl -138:sc= -3.12! (180deg=-8.19!) USER MOD Set 1.2: A 103 THR OG1 : rot -110:sc= 0 USER MOD Set 2.1: A 38 ASN : amide:sc= -2.08! C(o=-2.3!,f=-10!) USER MOD Set 2.2: A 61 ASN : amide:sc= -0.172 K(o=-2.3,f=-1.7) USER MOD Set 3.1: A 50 THR OG1 : rot 96:sc= 1.52 USER MOD Set 3.2: A 98 TYR OH : rot 56:sc= -0.602! USER MOD Set 4.1: A 32 GLN : amide:sc= -1.37 K(o=-13,f=-15!) USER MOD Set 4.2: A 41 GLN : amide:sc= -11.3! C(o=-13!,f=-12!) USER MOD Single : A 13 ASN : amide:sc= -0.353 K(o=-0.35,f=-3.4!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot -40:sc= -2.87! USER MOD Single : A 43 ASN : amide:sc= -7.21! C(o=-7.2!,f=-14!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.357 X(o=-0.36,f=-0.087) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 CYS SG : rot 160:sc= -0.549 USER MOD Single : A 70 THR OG1 : rot -172:sc= 0.272 USER MOD Single : A 72 SER OG : rot 180:sc= -0.261 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 91:sc= 0.00758 USER MOD Single : A 87 ASN : amide:sc= -2.32 K(o=-2.3,f=-6!) USER MOD Single : A 89 ASN : amide:sc= -1.52 K(o=-1.5,f=-0.3) USER MOD Single : A 90 THR OG1 : rot -90:sc= -0.428 USER MOD Single : A 91 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 140:sc= 1.25 USER MOD Single : A 95 THR OG1 : rot 180:sc= -0.0203 USER MOD Single : A 99 GLN : amide:sc= -2.1! C(o=-2.1!,f=-1.5!) USER MOD Single : A 101 THR OG1 : rot 51:sc= 1.35 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 HIS : no HD1:sc= -0.136 X(o=-0.14,f=-0.03) USER MOD Single : A 109 MET CE :methyl -175:sc= -0.688 (180deg=-0.7) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ -128:sc= -0.815 (180deg=-2.85!) USER MOD Single : A 117 SER OG : rot 177:sc= -0.584 USER MOD Single : A 118 TYR OH : rot 180:sc= -3.98! USER MOD Single : A 123 LYS NZ :NH3+ -159:sc= -0.416 (180deg=-1.7!) USER MOD ----------------------------------------------------------------- ATOM 131 N ASP A 10 13.995 4.348 1.198 1.00 0.00 N ATOM 132 CA ASP A 10 13.207 5.389 0.439 1.00 0.00 C ATOM 133 C ASP A 10 12.196 4.712 -0.491 1.00 0.00 C ATOM 134 O ASP A 10 12.430 4.586 -1.677 1.00 0.00 O ATOM 135 CB ASP A 10 14.164 6.244 -0.396 1.00 0.00 C ATOM 136 CG ASP A 10 15.227 6.860 0.514 1.00 0.00 C ATOM 137 OD1 ASP A 10 14.856 7.416 1.535 1.00 0.00 O ATOM 138 OD2 ASP A 10 16.396 6.769 0.175 1.00 0.00 O ATOM 0 HA ASP A 10 12.673 6.017 1.152 1.00 0.00 H new ATOM 0 HB2 ASP A 10 14.638 5.633 -1.164 1.00 0.00 H new ATOM 0 HB3 ASP A 10 13.611 7.030 -0.910 1.00 0.00 H new ATOM 143 N ILE A 11 11.096 4.242 0.032 1.00 0.00 N ATOM 144 CA ILE A 11 10.127 3.546 -0.836 1.00 0.00 C ATOM 145 C ILE A 11 9.709 4.463 -1.969 1.00 0.00 C ATOM 146 O ILE A 11 10.005 4.207 -3.101 1.00 0.00 O ATOM 147 CB ILE A 11 8.883 3.133 -0.081 1.00 0.00 C ATOM 148 CG1 ILE A 11 9.154 2.791 1.386 1.00 0.00 C ATOM 149 CG2 ILE A 11 8.301 1.911 -0.767 1.00 0.00 C ATOM 150 CD1 ILE A 11 10.164 1.654 1.474 1.00 0.00 C ATOM 0 H ILE A 11 10.835 4.313 1.015 1.00 0.00 H new ATOM 0 HA ILE A 11 10.619 2.650 -1.215 1.00 0.00 H new ATOM 0 HB ILE A 11 8.194 3.978 -0.089 1.00 0.00 H new ATOM 0 HG12 ILE A 11 9.534 3.668 1.909 1.00 0.00 H new ATOM 0 HG13 ILE A 11 8.225 2.504 1.879 1.00 0.00 H new ATOM 0 HG21 ILE A 11 7.401 1.592 -0.241 1.00 0.00 H new ATOM 0 HG22 ILE A 11 8.050 2.158 -1.799 1.00 0.00 H new ATOM 0 HG23 ILE A 11 9.033 1.104 -0.755 1.00 0.00 H new ATOM 0 HD11 ILE A 11 10.353 1.415 2.521 1.00 0.00 H new ATOM 0 HD12 ILE A 11 9.767 0.775 0.967 1.00 0.00 H new ATOM 0 HD13 ILE A 11 11.096 1.958 0.997 1.00 0.00 H new ATOM 162 N GLU A 12 9.004 5.520 -1.663 1.00 0.00 N ATOM 163 CA GLU A 12 8.520 6.462 -2.721 1.00 0.00 C ATOM 164 C GLU A 12 9.553 6.650 -3.851 1.00 0.00 C ATOM 165 O GLU A 12 9.196 6.901 -4.985 1.00 0.00 O ATOM 166 CB GLU A 12 8.213 7.818 -2.085 1.00 0.00 C ATOM 167 CG GLU A 12 9.496 8.406 -1.494 1.00 0.00 C ATOM 168 CD GLU A 12 9.168 9.157 -0.202 1.00 0.00 C ATOM 169 OE1 GLU A 12 8.646 10.256 -0.295 1.00 0.00 O ATOM 170 OE2 GLU A 12 9.440 8.619 0.858 1.00 0.00 O ATOM 0 H GLU A 12 8.738 5.776 -0.712 1.00 0.00 H new ATOM 0 HA GLU A 12 7.622 6.032 -3.163 1.00 0.00 H new ATOM 0 HB2 GLU A 12 7.799 8.496 -2.831 1.00 0.00 H new ATOM 0 HB3 GLU A 12 7.460 7.704 -1.305 1.00 0.00 H new ATOM 0 HG2 GLU A 12 10.213 7.611 -1.292 1.00 0.00 H new ATOM 0 HG3 GLU A 12 9.962 9.082 -2.211 1.00 0.00 H new ATOM 177 N ASN A 13 10.821 6.529 -3.560 1.00 0.00 N ATOM 178 CA ASN A 13 11.847 6.701 -4.632 1.00 0.00 C ATOM 179 C ASN A 13 11.904 5.440 -5.509 1.00 0.00 C ATOM 180 O ASN A 13 11.798 5.508 -6.717 1.00 0.00 O ATOM 181 CB ASN A 13 13.217 6.937 -3.991 1.00 0.00 C ATOM 182 CG ASN A 13 13.535 8.435 -3.999 1.00 0.00 C ATOM 183 OD1 ASN A 13 12.743 9.234 -4.457 1.00 0.00 O ATOM 184 ND2 ASN A 13 14.668 8.851 -3.503 1.00 0.00 N ATOM 0 H ASN A 13 11.190 6.320 -2.632 1.00 0.00 H new ATOM 0 HA ASN A 13 11.579 7.557 -5.252 1.00 0.00 H new ATOM 0 HB2 ASN A 13 13.222 6.559 -2.969 1.00 0.00 H new ATOM 0 HB3 ASN A 13 13.985 6.389 -4.537 1.00 0.00 H new ATOM 0 HD21 ASN A 13 14.888 9.847 -3.500 1.00 0.00 H new ATOM 0 HD22 ASN A 13 15.333 8.180 -3.118 1.00 0.00 H new ATOM 191 N THR A 14 12.073 4.292 -4.908 1.00 0.00 N ATOM 192 CA THR A 14 12.141 3.020 -5.694 1.00 0.00 C ATOM 193 C THR A 14 10.805 2.796 -6.416 1.00 0.00 C ATOM 194 O THR A 14 10.754 2.353 -7.546 1.00 0.00 O ATOM 195 CB THR A 14 12.424 1.861 -4.710 1.00 0.00 C ATOM 196 OG1 THR A 14 13.825 1.759 -4.502 1.00 0.00 O ATOM 197 CG2 THR A 14 11.896 0.522 -5.253 1.00 0.00 C ATOM 0 H THR A 14 12.168 4.178 -3.899 1.00 0.00 H new ATOM 0 HA THR A 14 12.933 3.069 -6.441 1.00 0.00 H new ATOM 0 HB THR A 14 11.912 2.076 -3.772 1.00 0.00 H new ATOM 0 HG1 THR A 14 14.011 1.027 -3.878 1.00 0.00 H new ATOM 0 HG21 THR A 14 12.111 -0.271 -4.537 1.00 0.00 H new ATOM 0 HG22 THR A 14 10.819 0.591 -5.406 1.00 0.00 H new ATOM 0 HG23 THR A 14 12.383 0.297 -6.202 1.00 0.00 H new ATOM 205 N LEU A 15 9.739 3.088 -5.748 1.00 0.00 N ATOM 206 CA LEU A 15 8.389 2.898 -6.331 1.00 0.00 C ATOM 207 C LEU A 15 8.253 3.770 -7.580 1.00 0.00 C ATOM 208 O LEU A 15 7.468 3.489 -8.463 1.00 0.00 O ATOM 209 CB LEU A 15 7.341 3.298 -5.284 1.00 0.00 C ATOM 210 CG LEU A 15 7.604 2.557 -3.972 1.00 0.00 C ATOM 211 CD1 LEU A 15 6.747 3.163 -2.865 1.00 0.00 C ATOM 212 CD2 LEU A 15 7.251 1.085 -4.135 1.00 0.00 C ATOM 0 H LEU A 15 9.743 3.460 -4.798 1.00 0.00 H new ATOM 0 HA LEU A 15 8.238 1.856 -6.612 1.00 0.00 H new ATOM 0 HB2 LEU A 15 7.375 4.375 -5.116 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.341 3.063 -5.650 1.00 0.00 H new ATOM 0 HG LEU A 15 8.658 2.650 -3.711 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.934 2.635 -1.930 1.00 0.00 H new ATOM 0 HD12 LEU A 15 7.000 4.216 -2.744 1.00 0.00 H new ATOM 0 HD13 LEU A 15 5.693 3.071 -3.129 1.00 0.00 H new ATOM 0 HD21 LEU A 15 7.439 0.560 -3.199 1.00 0.00 H new ATOM 0 HD22 LEU A 15 6.198 0.990 -4.398 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.863 0.649 -4.925 1.00 0.00 H new ATOM 224 N ALA A 16 9.024 4.819 -7.664 1.00 0.00 N ATOM 225 CA ALA A 16 8.955 5.700 -8.861 1.00 0.00 C ATOM 226 C ALA A 16 9.938 5.184 -9.916 1.00 0.00 C ATOM 227 O ALA A 16 9.789 5.436 -11.095 1.00 0.00 O ATOM 228 CB ALA A 16 9.328 7.129 -8.461 1.00 0.00 C ATOM 0 H ALA A 16 9.699 5.103 -6.954 1.00 0.00 H new ATOM 0 HA ALA A 16 7.945 5.695 -9.270 1.00 0.00 H new ATOM 0 HB1 ALA A 16 9.278 7.777 -9.336 1.00 0.00 H new ATOM 0 HB2 ALA A 16 8.631 7.488 -7.704 1.00 0.00 H new ATOM 0 HB3 ALA A 16 10.341 7.141 -8.058 1.00 0.00 H new ATOM 340 N ASP A 24 10.203 -6.315 -5.521 1.00 0.00 N ATOM 341 CA ASP A 24 9.446 -7.526 -5.097 1.00 0.00 C ATOM 342 C ASP A 24 10.107 -8.151 -3.858 1.00 0.00 C ATOM 343 O ASP A 24 9.576 -9.068 -3.261 1.00 0.00 O ATOM 344 CB ASP A 24 9.437 -8.547 -6.239 1.00 0.00 C ATOM 345 CG ASP A 24 10.871 -8.812 -6.700 1.00 0.00 C ATOM 346 OD1 ASP A 24 11.759 -8.770 -5.865 1.00 0.00 O ATOM 347 OD2 ASP A 24 11.057 -9.052 -7.882 1.00 0.00 O ATOM 0 HA ASP A 24 8.423 -7.241 -4.851 1.00 0.00 H new ATOM 0 HB2 ASP A 24 8.973 -9.476 -5.907 1.00 0.00 H new ATOM 0 HB3 ASP A 24 8.840 -8.173 -7.071 1.00 0.00 H new ATOM 352 N GLY A 25 11.258 -7.667 -3.465 1.00 0.00 N ATOM 353 CA GLY A 25 11.939 -8.240 -2.268 1.00 0.00 C ATOM 354 C GLY A 25 11.691 -7.335 -1.061 1.00 0.00 C ATOM 355 O GLY A 25 12.514 -7.223 -0.173 1.00 0.00 O ATOM 0 H GLY A 25 11.754 -6.901 -3.921 1.00 0.00 H new ATOM 0 HA2 GLY A 25 11.563 -9.243 -2.068 1.00 0.00 H new ATOM 0 HA3 GLY A 25 13.009 -8.332 -2.454 1.00 0.00 H new ATOM 359 N LEU A 26 10.558 -6.695 -1.022 1.00 0.00 N ATOM 360 CA LEU A 26 10.241 -5.802 0.120 1.00 0.00 C ATOM 361 C LEU A 26 9.255 -6.515 1.042 1.00 0.00 C ATOM 362 O LEU A 26 8.172 -6.890 0.642 1.00 0.00 O ATOM 363 CB LEU A 26 9.603 -4.504 -0.396 1.00 0.00 C ATOM 364 CG LEU A 26 10.687 -3.525 -0.863 1.00 0.00 C ATOM 365 CD1 LEU A 26 10.033 -2.209 -1.293 1.00 0.00 C ATOM 366 CD2 LEU A 26 11.663 -3.245 0.281 1.00 0.00 C ATOM 0 H LEU A 26 9.834 -6.754 -1.738 1.00 0.00 H new ATOM 0 HA LEU A 26 11.156 -5.561 0.661 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.926 -4.727 -1.220 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.006 -4.046 0.393 1.00 0.00 H new ATOM 0 HG LEU A 26 11.226 -3.964 -1.702 1.00 0.00 H new ATOM 0 HD11 LEU A 26 10.802 -1.512 -1.625 1.00 0.00 H new ATOM 0 HD12 LEU A 26 9.337 -2.398 -2.111 1.00 0.00 H new ATOM 0 HD13 LEU A 26 9.493 -1.778 -0.450 1.00 0.00 H new ATOM 0 HD21 LEU A 26 12.430 -2.549 -0.058 1.00 0.00 H new ATOM 0 HD22 LEU A 26 11.123 -2.809 1.122 1.00 0.00 H new ATOM 0 HD23 LEU A 26 12.132 -4.177 0.595 1.00 0.00 H new ATOM 378 N ALA A 27 9.617 -6.690 2.279 1.00 0.00 N ATOM 379 CA ALA A 27 8.698 -7.366 3.246 1.00 0.00 C ATOM 380 C ALA A 27 7.387 -6.574 3.365 1.00 0.00 C ATOM 381 O ALA A 27 6.411 -7.045 3.926 1.00 0.00 O ATOM 382 CB ALA A 27 9.366 -7.440 4.621 1.00 0.00 C ATOM 0 H ALA A 27 10.512 -6.395 2.668 1.00 0.00 H new ATOM 0 HA ALA A 27 8.482 -8.372 2.886 1.00 0.00 H new ATOM 0 HB1 ALA A 27 8.696 -7.933 5.325 1.00 0.00 H new ATOM 0 HB2 ALA A 27 10.293 -8.008 4.545 1.00 0.00 H new ATOM 0 HB3 ALA A 27 9.585 -6.432 4.974 1.00 0.00 H new ATOM 388 N PHE A 28 7.352 -5.373 2.846 1.00 0.00 N ATOM 389 CA PHE A 28 6.112 -4.564 2.929 1.00 0.00 C ATOM 390 C PHE A 28 5.652 -4.202 1.522 1.00 0.00 C ATOM 391 O PHE A 28 6.328 -3.498 0.799 1.00 0.00 O ATOM 392 CB PHE A 28 6.384 -3.269 3.705 1.00 0.00 C ATOM 393 CG PHE A 28 7.668 -2.655 3.187 1.00 0.00 C ATOM 394 CD1 PHE A 28 8.906 -3.121 3.644 1.00 0.00 C ATOM 395 CD2 PHE A 28 7.617 -1.649 2.218 1.00 0.00 C ATOM 396 CE1 PHE A 28 10.095 -2.577 3.135 1.00 0.00 C ATOM 397 CE2 PHE A 28 8.804 -1.110 1.702 1.00 0.00 C ATOM 398 CZ PHE A 28 10.045 -1.573 2.159 1.00 0.00 C ATOM 0 H PHE A 28 8.133 -4.922 2.369 1.00 0.00 H new ATOM 0 HA PHE A 28 5.343 -5.143 3.440 1.00 0.00 H new ATOM 0 HB2 PHE A 28 5.555 -2.573 3.581 1.00 0.00 H new ATOM 0 HB3 PHE A 28 6.468 -3.478 4.772 1.00 0.00 H new ATOM 0 HD1 PHE A 28 8.946 -3.901 4.390 1.00 0.00 H new ATOM 0 HD2 PHE A 28 6.662 -1.287 1.866 1.00 0.00 H new ATOM 0 HE1 PHE A 28 11.049 -2.932 3.496 1.00 0.00 H new ATOM 0 HE2 PHE A 28 8.762 -0.336 0.950 1.00 0.00 H new ATOM 0 HZ PHE A 28 10.959 -1.158 1.761 1.00 0.00 H new ATOM 408 N GLY A 29 4.500 -4.659 1.129 1.00 0.00 N ATOM 409 CA GLY A 29 3.992 -4.315 -0.225 1.00 0.00 C ATOM 410 C GLY A 29 3.976 -2.796 -0.363 1.00 0.00 C ATOM 411 O GLY A 29 3.773 -2.099 0.602 1.00 0.00 O ATOM 0 H GLY A 29 3.888 -5.256 1.686 1.00 0.00 H new ATOM 0 HA2 GLY A 29 4.627 -4.759 -0.992 1.00 0.00 H new ATOM 0 HA3 GLY A 29 2.990 -4.719 -0.368 1.00 0.00 H new ATOM 415 N ALA A 30 4.177 -2.267 -1.541 1.00 0.00 N ATOM 416 CA ALA A 30 4.143 -0.783 -1.679 1.00 0.00 C ATOM 417 C ALA A 30 3.192 -0.432 -2.816 1.00 0.00 C ATOM 418 O ALA A 30 3.526 -0.551 -3.978 1.00 0.00 O ATOM 419 CB ALA A 30 5.547 -0.226 -1.956 1.00 0.00 C ATOM 0 H ALA A 30 4.360 -2.788 -2.399 1.00 0.00 H new ATOM 0 HA ALA A 30 3.794 -0.334 -0.749 1.00 0.00 H new ATOM 0 HB1 ALA A 30 5.496 0.858 -2.053 1.00 0.00 H new ATOM 0 HB2 ALA A 30 6.211 -0.486 -1.131 1.00 0.00 H new ATOM 0 HB3 ALA A 30 5.933 -0.655 -2.881 1.00 0.00 H new ATOM 425 N ILE A 31 1.994 -0.033 -2.486 1.00 0.00 N ATOM 426 CA ILE A 31 0.999 0.289 -3.543 1.00 0.00 C ATOM 427 C ILE A 31 0.808 1.791 -3.670 1.00 0.00 C ATOM 428 O ILE A 31 1.094 2.546 -2.771 1.00 0.00 O ATOM 429 CB ILE A 31 -0.342 -0.367 -3.191 1.00 0.00 C ATOM 430 CG1 ILE A 31 -0.974 0.288 -1.962 1.00 0.00 C ATOM 431 CG2 ILE A 31 -0.091 -1.824 -2.872 1.00 0.00 C ATOM 432 CD1 ILE A 31 -1.892 1.434 -2.396 1.00 0.00 C ATOM 0 H ILE A 31 1.663 0.083 -1.528 1.00 0.00 H new ATOM 0 HA ILE A 31 1.367 -0.094 -4.495 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.018 -0.251 -4.038 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -1.543 -0.451 -1.397 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -0.195 0.665 -1.299 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.034 -2.309 -2.619 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.348 -2.316 -3.740 1.00 0.00 H new ATOM 0 HG23 ILE A 31 0.594 -1.899 -2.027 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.339 1.896 -1.515 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -1.312 2.178 -2.941 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -2.680 1.045 -3.041 1.00 0.00 H new ATOM 444 N GLN A 32 0.298 2.214 -4.783 1.00 0.00 N ATOM 445 CA GLN A 32 0.041 3.656 -4.988 1.00 0.00 C ATOM 446 C GLN A 32 -1.444 3.803 -5.289 1.00 0.00 C ATOM 447 O GLN A 32 -2.148 2.819 -5.412 1.00 0.00 O ATOM 448 CB GLN A 32 0.865 4.170 -6.167 1.00 0.00 C ATOM 449 CG GLN A 32 2.202 4.715 -5.660 1.00 0.00 C ATOM 450 CD GLN A 32 3.082 5.092 -6.851 1.00 0.00 C ATOM 451 OE1 GLN A 32 2.608 5.177 -7.968 1.00 0.00 O ATOM 452 NE2 GLN A 32 4.351 5.323 -6.663 1.00 0.00 N ATOM 0 H GLN A 32 0.045 1.615 -5.569 1.00 0.00 H new ATOM 0 HA GLN A 32 0.320 4.232 -4.105 1.00 0.00 H new ATOM 0 HB2 GLN A 32 1.036 3.365 -6.882 1.00 0.00 H new ATOM 0 HB3 GLN A 32 0.318 4.952 -6.693 1.00 0.00 H new ATOM 0 HG2 GLN A 32 2.035 5.586 -5.027 1.00 0.00 H new ATOM 0 HG3 GLN A 32 2.703 3.966 -5.046 1.00 0.00 H new ATOM 0 HE21 GLN A 32 4.749 5.252 -5.727 1.00 0.00 H new ATOM 0 HE22 GLN A 32 4.946 5.575 -7.452 1.00 0.00 H new ATOM 461 N LEU A 33 -1.937 4.997 -5.408 1.00 0.00 N ATOM 462 CA LEU A 33 -3.385 5.147 -5.697 1.00 0.00 C ATOM 463 C LEU A 33 -3.640 6.475 -6.404 1.00 0.00 C ATOM 464 O LEU A 33 -2.940 7.448 -6.201 1.00 0.00 O ATOM 465 CB LEU A 33 -4.175 5.137 -4.384 1.00 0.00 C ATOM 466 CG LEU A 33 -4.331 3.701 -3.872 1.00 0.00 C ATOM 467 CD1 LEU A 33 -5.167 3.706 -2.590 1.00 0.00 C ATOM 468 CD2 LEU A 33 -5.035 2.850 -4.930 1.00 0.00 C ATOM 0 H LEU A 33 -1.410 5.866 -5.319 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.702 4.321 -6.334 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.662 5.743 -3.638 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.157 5.585 -4.538 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.345 3.283 -3.667 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.279 2.685 -2.225 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.668 4.310 -1.832 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.151 4.126 -2.799 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.144 1.830 -4.563 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.020 3.268 -5.137 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.443 2.845 -5.845 1.00 0.00 H new ATOM 480 N ASP A 34 -4.665 6.530 -7.198 1.00 0.00 N ATOM 481 CA ASP A 34 -5.013 7.793 -7.886 1.00 0.00 C ATOM 482 C ASP A 34 -6.183 8.392 -7.122 1.00 0.00 C ATOM 483 O ASP A 34 -6.773 7.724 -6.312 1.00 0.00 O ATOM 484 CB ASP A 34 -5.406 7.509 -9.335 1.00 0.00 C ATOM 485 CG ASP A 34 -5.499 8.824 -10.111 1.00 0.00 C ATOM 486 OD1 ASP A 34 -4.514 9.544 -10.134 1.00 0.00 O ATOM 487 OD2 ASP A 34 -6.551 9.087 -10.669 1.00 0.00 O ATOM 0 H ASP A 34 -5.283 5.744 -7.401 1.00 0.00 H new ATOM 0 HA ASP A 34 -4.168 8.482 -7.906 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -4.670 6.853 -9.800 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -6.363 6.988 -9.367 1.00 0.00 H new ATOM 492 N GLY A 35 -6.498 9.635 -7.346 1.00 0.00 N ATOM 493 CA GLY A 35 -7.613 10.301 -6.597 1.00 0.00 C ATOM 494 C GLY A 35 -8.874 9.423 -6.462 1.00 0.00 C ATOM 495 O GLY A 35 -9.703 9.678 -5.610 1.00 0.00 O ATOM 0 H GLY A 35 -6.027 10.232 -8.026 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.260 10.572 -5.602 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -7.878 11.228 -7.105 1.00 0.00 H new ATOM 499 N ASP A 36 -9.063 8.426 -7.286 1.00 0.00 N ATOM 500 CA ASP A 36 -10.312 7.602 -7.166 1.00 0.00 C ATOM 501 C ASP A 36 -10.021 6.245 -6.518 1.00 0.00 C ATOM 502 O ASP A 36 -10.784 5.310 -6.654 1.00 0.00 O ATOM 503 CB ASP A 36 -10.889 7.368 -8.561 1.00 0.00 C ATOM 504 CG ASP A 36 -12.093 8.287 -8.772 1.00 0.00 C ATOM 505 OD1 ASP A 36 -12.034 9.421 -8.324 1.00 0.00 O ATOM 506 OD2 ASP A 36 -13.054 7.841 -9.375 1.00 0.00 O ATOM 0 H ASP A 36 -8.421 8.146 -8.027 1.00 0.00 H new ATOM 0 HA ASP A 36 -11.021 8.142 -6.538 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -10.130 7.565 -9.318 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -11.189 6.326 -8.673 1.00 0.00 H new ATOM 511 N GLY A 37 -8.933 6.127 -5.823 1.00 0.00 N ATOM 512 CA GLY A 37 -8.602 4.830 -5.174 1.00 0.00 C ATOM 513 C GLY A 37 -8.109 3.863 -6.251 1.00 0.00 C ATOM 514 O GLY A 37 -8.236 2.660 -6.122 1.00 0.00 O ATOM 0 H GLY A 37 -8.254 6.873 -5.674 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -7.835 4.972 -4.412 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -9.479 4.423 -4.671 1.00 0.00 H new ATOM 518 N ASN A 38 -7.582 4.374 -7.335 1.00 0.00 N ATOM 519 CA ASN A 38 -7.128 3.456 -8.435 1.00 0.00 C ATOM 520 C ASN A 38 -5.664 3.051 -8.235 1.00 0.00 C ATOM 521 O ASN A 38 -4.790 3.878 -8.121 1.00 0.00 O ATOM 522 CB ASN A 38 -7.268 4.153 -9.792 1.00 0.00 C ATOM 523 CG ASN A 38 -8.566 4.966 -9.836 1.00 0.00 C ATOM 524 OD1 ASN A 38 -9.424 4.811 -8.991 1.00 0.00 O ATOM 525 ND2 ASN A 38 -8.745 5.834 -10.793 1.00 0.00 N ATOM 0 H ASN A 38 -7.446 5.370 -7.509 1.00 0.00 H new ATOM 0 HA ASN A 38 -7.754 2.564 -8.409 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -6.414 4.808 -9.963 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -7.267 3.412 -10.592 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -9.605 6.381 -10.831 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -8.025 5.965 -11.504 1.00 0.00 H new ATOM 532 N ILE A 39 -5.388 1.777 -8.202 1.00 0.00 N ATOM 533 CA ILE A 39 -3.975 1.332 -8.006 1.00 0.00 C ATOM 534 C ILE A 39 -3.078 1.870 -9.124 1.00 0.00 C ATOM 535 O ILE A 39 -3.426 1.859 -10.288 1.00 0.00 O ATOM 536 CB ILE A 39 -3.919 -0.222 -7.940 1.00 0.00 C ATOM 537 CG1 ILE A 39 -3.206 -0.629 -6.649 1.00 0.00 C ATOM 538 CG2 ILE A 39 -3.166 -0.838 -9.132 1.00 0.00 C ATOM 539 CD1 ILE A 39 -4.176 -0.511 -5.476 1.00 0.00 C ATOM 0 H ILE A 39 -6.073 1.027 -8.301 1.00 0.00 H new ATOM 0 HA ILE A 39 -3.603 1.734 -7.064 1.00 0.00 H new ATOM 0 HB ILE A 39 -4.944 -0.592 -7.970 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.839 -1.652 -6.730 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -2.338 0.009 -6.483 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -3.157 -1.924 -9.035 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -3.665 -0.561 -10.060 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -2.141 -0.467 -9.146 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -3.670 -0.801 -4.555 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -4.521 0.519 -5.392 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -5.030 -1.167 -5.643 1.00 0.00 H new ATOM 551 N LEU A 40 -1.908 2.297 -8.760 1.00 0.00 N ATOM 552 CA LEU A 40 -0.937 2.796 -9.767 1.00 0.00 C ATOM 553 C LEU A 40 0.180 1.750 -9.881 1.00 0.00 C ATOM 554 O LEU A 40 0.756 1.544 -10.930 1.00 0.00 O ATOM 555 CB LEU A 40 -0.366 4.143 -9.310 1.00 0.00 C ATOM 556 CG LEU A 40 -1.473 4.983 -8.661 1.00 0.00 C ATOM 557 CD1 LEU A 40 -0.904 6.329 -8.228 1.00 0.00 C ATOM 558 CD2 LEU A 40 -2.605 5.214 -9.664 1.00 0.00 C ATOM 0 H LEU A 40 -1.577 2.323 -7.795 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.416 2.945 -10.735 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.445 3.982 -8.600 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.057 4.677 -10.161 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.861 4.451 -7.792 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.691 6.925 -7.767 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.101 6.170 -7.509 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.513 6.856 -9.098 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.388 5.811 -9.197 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.217 5.742 -10.535 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.017 4.254 -9.975 1.00 0.00 H new ATOM 570 N GLN A 41 0.457 1.071 -8.796 1.00 0.00 N ATOM 571 CA GLN A 41 1.509 -0.002 -8.804 1.00 0.00 C ATOM 572 C GLN A 41 1.239 -0.966 -7.639 1.00 0.00 C ATOM 573 O GLN A 41 0.247 -0.843 -6.948 1.00 0.00 O ATOM 574 CB GLN A 41 2.939 0.578 -8.696 1.00 0.00 C ATOM 575 CG GLN A 41 2.952 2.013 -8.143 1.00 0.00 C ATOM 576 CD GLN A 41 3.322 1.974 -6.663 1.00 0.00 C ATOM 577 OE1 GLN A 41 4.312 2.550 -6.257 1.00 0.00 O ATOM 578 NE2 GLN A 41 2.564 1.317 -5.835 1.00 0.00 N ATOM 0 H GLN A 41 -0.002 1.212 -7.896 1.00 0.00 H new ATOM 0 HA GLN A 41 1.454 -0.529 -9.756 1.00 0.00 H new ATOM 0 HB2 GLN A 41 3.540 -0.062 -8.050 1.00 0.00 H new ATOM 0 HB3 GLN A 41 3.407 0.567 -9.680 1.00 0.00 H new ATOM 0 HG2 GLN A 41 3.669 2.622 -8.694 1.00 0.00 H new ATOM 0 HG3 GLN A 41 1.974 2.475 -8.274 1.00 0.00 H new ATOM 0 HE21 GLN A 41 1.733 0.834 -6.177 1.00 0.00 H new ATOM 0 HE22 GLN A 41 2.800 1.285 -4.843 1.00 0.00 H new ATOM 587 N TYR A 42 2.088 -1.942 -7.424 1.00 0.00 N ATOM 588 CA TYR A 42 1.822 -2.913 -6.311 1.00 0.00 C ATOM 589 C TYR A 42 3.112 -3.657 -5.887 1.00 0.00 C ATOM 590 O TYR A 42 3.645 -3.405 -4.820 1.00 0.00 O ATOM 591 CB TYR A 42 0.765 -3.922 -6.799 1.00 0.00 C ATOM 592 CG TYR A 42 0.123 -4.630 -5.628 1.00 0.00 C ATOM 593 CD1 TYR A 42 -0.714 -3.928 -4.757 1.00 0.00 C ATOM 594 CD2 TYR A 42 0.363 -5.991 -5.417 1.00 0.00 C ATOM 595 CE1 TYR A 42 -1.310 -4.582 -3.671 1.00 0.00 C ATOM 596 CE2 TYR A 42 -0.232 -6.645 -4.338 1.00 0.00 C ATOM 597 CZ TYR A 42 -1.068 -5.945 -3.462 1.00 0.00 C ATOM 598 OH TYR A 42 -1.650 -6.597 -2.393 1.00 0.00 O ATOM 0 H TYR A 42 2.940 -2.109 -7.959 1.00 0.00 H new ATOM 0 HA TYR A 42 1.461 -2.369 -5.438 1.00 0.00 H new ATOM 0 HB2 TYR A 42 0.002 -3.405 -7.381 1.00 0.00 H new ATOM 0 HB3 TYR A 42 1.230 -4.652 -7.461 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -0.902 -2.877 -4.922 1.00 0.00 H new ATOM 0 HD2 TYR A 42 1.009 -6.536 -6.089 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -1.954 -4.037 -2.997 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -0.046 -7.697 -4.178 1.00 0.00 H new ATOM 0 HH TYR A 42 -1.633 -6.014 -1.605 1.00 0.00 H new ATOM 608 N ASN A 43 3.577 -4.577 -6.719 1.00 0.00 N ATOM 609 CA ASN A 43 4.811 -5.412 -6.445 1.00 0.00 C ATOM 610 C ASN A 43 4.378 -6.841 -6.061 1.00 0.00 C ATOM 611 O ASN A 43 3.206 -7.157 -6.051 1.00 0.00 O ATOM 612 CB ASN A 43 5.744 -4.789 -5.377 1.00 0.00 C ATOM 613 CG ASN A 43 5.349 -5.211 -3.957 1.00 0.00 C ATOM 614 OD1 ASN A 43 4.220 -5.581 -3.715 1.00 0.00 O ATOM 615 ND2 ASN A 43 6.246 -5.168 -3.009 1.00 0.00 N ATOM 0 H ASN A 43 3.133 -4.791 -7.612 1.00 0.00 H new ATOM 0 HA ASN A 43 5.405 -5.444 -7.358 1.00 0.00 H new ATOM 0 HB2 ASN A 43 6.773 -5.091 -5.573 1.00 0.00 H new ATOM 0 HB3 ASN A 43 5.711 -3.702 -5.455 1.00 0.00 H new ATOM 0 HD21 ASN A 43 5.998 -5.446 -2.060 1.00 0.00 H new ATOM 0 HD22 ASN A 43 7.194 -4.856 -3.218 1.00 0.00 H new ATOM 622 N ALA A 44 5.314 -7.718 -5.799 1.00 0.00 N ATOM 623 CA ALA A 44 4.946 -9.136 -5.480 1.00 0.00 C ATOM 624 C ALA A 44 4.870 -9.420 -3.968 1.00 0.00 C ATOM 625 O ALA A 44 4.177 -10.326 -3.555 1.00 0.00 O ATOM 626 CB ALA A 44 5.983 -10.068 -6.106 1.00 0.00 C ATOM 0 H ALA A 44 6.314 -7.517 -5.792 1.00 0.00 H new ATOM 0 HA ALA A 44 3.950 -9.309 -5.889 1.00 0.00 H new ATOM 0 HB1 ALA A 44 5.725 -11.103 -5.880 1.00 0.00 H new ATOM 0 HB2 ALA A 44 5.996 -9.925 -7.186 1.00 0.00 H new ATOM 0 HB3 ALA A 44 6.968 -9.842 -5.698 1.00 0.00 H new ATOM 632 N ALA A 45 5.580 -8.703 -3.140 1.00 0.00 N ATOM 633 CA ALA A 45 5.529 -9.002 -1.667 1.00 0.00 C ATOM 634 C ALA A 45 4.084 -9.093 -1.182 1.00 0.00 C ATOM 635 O ALA A 45 3.625 -10.122 -0.726 1.00 0.00 O ATOM 636 CB ALA A 45 6.233 -7.890 -0.888 1.00 0.00 C ATOM 0 H ALA A 45 6.189 -7.930 -3.409 1.00 0.00 H new ATOM 0 HA ALA A 45 6.027 -9.957 -1.499 1.00 0.00 H new ATOM 0 HB1 ALA A 45 6.193 -8.112 0.179 1.00 0.00 H new ATOM 0 HB2 ALA A 45 7.273 -7.825 -1.207 1.00 0.00 H new ATOM 0 HB3 ALA A 45 5.735 -6.940 -1.080 1.00 0.00 H new ATOM 642 N GLU A 46 3.384 -8.010 -1.250 1.00 0.00 N ATOM 643 CA GLU A 46 1.965 -7.995 -0.776 1.00 0.00 C ATOM 644 C GLU A 46 1.155 -9.032 -1.529 1.00 0.00 C ATOM 645 O GLU A 46 0.487 -9.851 -0.948 1.00 0.00 O ATOM 646 CB GLU A 46 1.309 -6.621 -0.993 1.00 0.00 C ATOM 647 CG GLU A 46 1.958 -5.854 -2.147 1.00 0.00 C ATOM 648 CD GLU A 46 1.344 -4.464 -2.249 1.00 0.00 C ATOM 649 OE1 GLU A 46 0.334 -4.226 -1.607 1.00 0.00 O ATOM 650 OE2 GLU A 46 1.991 -3.564 -3.058 1.00 0.00 O ATOM 0 H GLU A 46 3.726 -7.121 -1.615 1.00 0.00 H new ATOM 0 HA GLU A 46 1.979 -8.218 0.291 1.00 0.00 H new ATOM 0 HB2 GLU A 46 0.247 -6.754 -1.198 1.00 0.00 H new ATOM 0 HB3 GLU A 46 1.386 -6.034 -0.078 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.033 -5.776 -1.986 1.00 0.00 H new ATOM 0 HG3 GLU A 46 1.814 -6.395 -3.082 1.00 0.00 H new ATOM 658 N GLY A 47 1.195 -8.989 -2.814 1.00 0.00 N ATOM 659 CA GLY A 47 0.403 -9.969 -3.616 1.00 0.00 C ATOM 660 C GLY A 47 0.814 -11.404 -3.263 1.00 0.00 C ATOM 661 O GLY A 47 0.117 -12.346 -3.581 1.00 0.00 O ATOM 0 H GLY A 47 1.740 -8.320 -3.358 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -0.661 -9.831 -3.424 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.560 -9.790 -4.680 1.00 0.00 H new ATOM 665 N ASP A 48 1.930 -11.586 -2.610 1.00 0.00 N ATOM 666 CA ASP A 48 2.351 -12.969 -2.249 1.00 0.00 C ATOM 667 C ASP A 48 1.577 -13.414 -1.008 1.00 0.00 C ATOM 668 O ASP A 48 1.242 -14.572 -0.850 1.00 0.00 O ATOM 669 CB ASP A 48 3.853 -12.987 -1.955 1.00 0.00 C ATOM 670 CG ASP A 48 4.351 -14.433 -1.932 1.00 0.00 C ATOM 671 OD1 ASP A 48 3.790 -15.222 -1.189 1.00 0.00 O ATOM 672 OD2 ASP A 48 5.287 -14.728 -2.657 1.00 0.00 O ATOM 0 H ASP A 48 2.563 -10.844 -2.313 1.00 0.00 H new ATOM 0 HA ASP A 48 2.142 -13.648 -3.076 1.00 0.00 H new ATOM 0 HB2 ASP A 48 4.390 -12.418 -2.714 1.00 0.00 H new ATOM 0 HB3 ASP A 48 4.053 -12.507 -0.997 1.00 0.00 H new ATOM 677 N ILE A 49 1.295 -12.499 -0.125 1.00 0.00 N ATOM 678 CA ILE A 49 0.549 -12.846 1.111 1.00 0.00 C ATOM 679 C ILE A 49 -0.965 -12.822 0.827 1.00 0.00 C ATOM 680 O ILE A 49 -1.673 -13.772 1.090 1.00 0.00 O ATOM 681 CB ILE A 49 0.956 -11.833 2.199 1.00 0.00 C ATOM 682 CG1 ILE A 49 1.805 -12.545 3.254 1.00 0.00 C ATOM 683 CG2 ILE A 49 -0.251 -11.176 2.887 1.00 0.00 C ATOM 684 CD1 ILE A 49 0.964 -13.626 3.936 1.00 0.00 C ATOM 0 H ILE A 49 1.553 -11.516 -0.209 1.00 0.00 H new ATOM 0 HA ILE A 49 0.789 -13.852 1.456 1.00 0.00 H new ATOM 0 HB ILE A 49 1.520 -11.040 1.707 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.684 -12.992 2.789 1.00 0.00 H new ATOM 0 HG13 ILE A 49 2.164 -11.828 3.992 1.00 0.00 H new ATOM 0 HG21 ILE A 49 0.099 -10.473 3.643 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -0.847 -10.644 2.146 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -0.862 -11.944 3.361 1.00 0.00 H new ATOM 0 HD11 ILE A 49 1.566 -14.135 4.688 1.00 0.00 H new ATOM 0 HD12 ILE A 49 0.099 -13.166 4.414 1.00 0.00 H new ATOM 0 HD13 ILE A 49 0.627 -14.348 3.192 1.00 0.00 H new ATOM 696 N THR A 50 -1.458 -11.727 0.313 1.00 0.00 N ATOM 697 CA THR A 50 -2.922 -11.617 0.032 1.00 0.00 C ATOM 698 C THR A 50 -3.248 -12.217 -1.343 1.00 0.00 C ATOM 699 O THR A 50 -4.368 -12.612 -1.603 1.00 0.00 O ATOM 700 CB THR A 50 -3.366 -10.137 0.062 1.00 0.00 C ATOM 701 OG1 THR A 50 -3.233 -9.568 -1.230 1.00 0.00 O ATOM 702 CG2 THR A 50 -2.514 -9.328 1.047 1.00 0.00 C ATOM 0 H THR A 50 -0.910 -10.901 0.074 1.00 0.00 H new ATOM 0 HA THR A 50 -3.459 -12.169 0.803 1.00 0.00 H new ATOM 0 HB THR A 50 -4.407 -10.105 0.382 1.00 0.00 H new ATOM 0 HG1 THR A 50 -4.093 -9.615 -1.698 1.00 0.00 H new ATOM 0 HG21 THR A 50 -2.847 -8.290 1.049 1.00 0.00 H new ATOM 0 HG22 THR A 50 -2.621 -9.745 2.048 1.00 0.00 H new ATOM 0 HG23 THR A 50 -1.468 -9.373 0.745 1.00 0.00 H new ATOM 710 N GLY A 51 -2.288 -12.291 -2.227 1.00 0.00 N ATOM 711 CA GLY A 51 -2.562 -12.864 -3.574 1.00 0.00 C ATOM 712 C GLY A 51 -2.779 -11.738 -4.595 1.00 0.00 C ATOM 713 O GLY A 51 -2.774 -11.962 -5.790 1.00 0.00 O ATOM 0 H GLY A 51 -1.329 -11.980 -2.073 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -1.728 -13.492 -3.886 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.444 -13.503 -3.533 1.00 0.00 H new ATOM 717 N ARG A 52 -2.970 -10.531 -4.134 1.00 0.00 N ATOM 718 CA ARG A 52 -3.187 -9.383 -5.065 1.00 0.00 C ATOM 719 C ARG A 52 -2.141 -9.382 -6.179 1.00 0.00 C ATOM 720 O ARG A 52 -0.997 -9.034 -5.970 1.00 0.00 O ATOM 721 CB ARG A 52 -3.064 -8.075 -4.284 1.00 0.00 C ATOM 722 CG ARG A 52 -4.450 -7.493 -3.996 1.00 0.00 C ATOM 723 CD ARG A 52 -4.472 -6.012 -4.405 1.00 0.00 C ATOM 724 NE ARG A 52 -4.798 -5.130 -3.233 1.00 0.00 N ATOM 725 CZ ARG A 52 -4.385 -3.882 -3.202 1.00 0.00 C ATOM 726 NH1 ARG A 52 -3.745 -3.353 -4.216 1.00 0.00 N ATOM 727 NH2 ARG A 52 -4.636 -3.147 -2.157 1.00 0.00 N ATOM 0 H ARG A 52 -2.985 -10.288 -3.143 1.00 0.00 H new ATOM 0 HA ARG A 52 -4.179 -9.479 -5.507 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -2.535 -8.252 -3.347 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -2.473 -7.358 -4.854 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -5.211 -8.046 -4.547 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -4.687 -7.594 -2.937 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -3.503 -5.731 -4.816 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -5.209 -5.861 -5.194 1.00 0.00 H new ATOM 0 HE ARG A 52 -5.344 -5.502 -2.456 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -3.559 -3.911 -5.049 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -3.433 -2.383 -4.172 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -5.150 -3.540 -1.369 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -4.318 -2.178 -2.127 1.00 0.00 H new ATOM 741 N ASP A 53 -2.536 -9.729 -7.368 1.00 0.00 N ATOM 742 CA ASP A 53 -1.572 -9.708 -8.503 1.00 0.00 C ATOM 743 C ASP A 53 -1.340 -8.241 -8.886 1.00 0.00 C ATOM 744 O ASP A 53 -2.195 -7.421 -8.645 1.00 0.00 O ATOM 745 CB ASP A 53 -2.163 -10.465 -9.695 1.00 0.00 C ATOM 746 CG ASP A 53 -1.359 -11.742 -9.942 1.00 0.00 C ATOM 747 OD1 ASP A 53 -0.971 -12.372 -8.972 1.00 0.00 O ATOM 748 OD2 ASP A 53 -1.146 -12.070 -11.097 1.00 0.00 O ATOM 0 H ASP A 53 -3.482 -10.026 -7.605 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.633 -10.184 -8.220 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.207 -10.712 -9.500 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -2.145 -9.835 -10.584 1.00 0.00 H new ATOM 753 N PRO A 54 -0.198 -7.938 -9.455 1.00 0.00 N ATOM 754 CA PRO A 54 0.125 -6.554 -9.850 1.00 0.00 C ATOM 755 C PRO A 54 -0.600 -6.165 -11.143 1.00 0.00 C ATOM 756 O PRO A 54 -1.211 -5.118 -11.231 1.00 0.00 O ATOM 757 CB PRO A 54 1.641 -6.583 -10.054 1.00 0.00 C ATOM 758 CG PRO A 54 2.018 -8.062 -10.321 1.00 0.00 C ATOM 759 CD PRO A 54 0.867 -8.919 -9.759 1.00 0.00 C ATOM 0 HA PRO A 54 -0.187 -5.819 -9.109 1.00 0.00 H new ATOM 0 HB2 PRO A 54 1.932 -5.950 -10.893 1.00 0.00 H new ATOM 0 HB3 PRO A 54 2.159 -6.203 -9.173 1.00 0.00 H new ATOM 0 HG2 PRO A 54 2.149 -8.242 -11.388 1.00 0.00 H new ATOM 0 HG3 PRO A 54 2.961 -8.315 -9.837 1.00 0.00 H new ATOM 0 HD2 PRO A 54 0.531 -9.660 -10.484 1.00 0.00 H new ATOM 0 HD3 PRO A 54 1.174 -9.463 -8.866 1.00 0.00 H new ATOM 767 N LYS A 55 -0.531 -6.990 -12.149 1.00 0.00 N ATOM 768 CA LYS A 55 -1.204 -6.657 -13.433 1.00 0.00 C ATOM 769 C LYS A 55 -2.719 -6.842 -13.302 1.00 0.00 C ATOM 770 O LYS A 55 -3.483 -6.329 -14.095 1.00 0.00 O ATOM 771 CB LYS A 55 -0.673 -7.578 -14.533 1.00 0.00 C ATOM 772 CG LYS A 55 -0.477 -6.779 -15.822 1.00 0.00 C ATOM 773 CD LYS A 55 -1.206 -7.479 -16.970 1.00 0.00 C ATOM 774 CE LYS A 55 -1.387 -6.502 -18.134 1.00 0.00 C ATOM 775 NZ LYS A 55 -0.083 -6.317 -18.832 1.00 0.00 N ATOM 0 H LYS A 55 -0.037 -7.882 -12.137 1.00 0.00 H new ATOM 0 HA LYS A 55 -0.996 -5.617 -13.685 1.00 0.00 H new ATOM 0 HB2 LYS A 55 0.272 -8.024 -14.223 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -1.371 -8.397 -14.704 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -0.860 -5.766 -15.697 1.00 0.00 H new ATOM 0 HG3 LYS A 55 0.585 -6.692 -16.051 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -0.638 -8.350 -17.298 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -2.177 -7.841 -16.631 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -2.134 -6.883 -18.830 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -1.754 -5.544 -17.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -0.204 -5.653 -19.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 0.617 -5.936 -18.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 0.249 -7.233 -19.196 1.00 0.00 H new ATOM 789 N GLN A 56 -3.165 -7.569 -12.315 1.00 0.00 N ATOM 790 CA GLN A 56 -4.633 -7.776 -12.156 1.00 0.00 C ATOM 791 C GLN A 56 -5.221 -6.654 -11.299 1.00 0.00 C ATOM 792 O GLN A 56 -6.275 -6.125 -11.591 1.00 0.00 O ATOM 793 CB GLN A 56 -4.891 -9.124 -11.483 1.00 0.00 C ATOM 794 CG GLN A 56 -6.390 -9.431 -11.514 1.00 0.00 C ATOM 795 CD GLN A 56 -6.729 -10.186 -12.801 1.00 0.00 C ATOM 796 OE1 GLN A 56 -7.638 -9.816 -13.515 1.00 0.00 O ATOM 797 NE2 GLN A 56 -6.030 -11.238 -13.128 1.00 0.00 N ATOM 0 H GLN A 56 -2.581 -8.027 -11.615 1.00 0.00 H new ATOM 0 HA GLN A 56 -5.107 -7.766 -13.138 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -4.337 -9.910 -11.996 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -4.535 -9.103 -10.453 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -6.668 -10.028 -10.645 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -6.963 -8.505 -11.461 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -5.266 -11.549 -12.528 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -6.248 -11.749 -13.983 1.00 0.00 H new ATOM 806 N VAL A 57 -4.544 -6.279 -10.249 1.00 0.00 N ATOM 807 CA VAL A 57 -5.062 -5.184 -9.384 1.00 0.00 C ATOM 808 C VAL A 57 -4.898 -3.841 -10.097 1.00 0.00 C ATOM 809 O VAL A 57 -5.346 -2.820 -9.616 1.00 0.00 O ATOM 810 CB VAL A 57 -4.285 -5.159 -8.070 1.00 0.00 C ATOM 811 CG1 VAL A 57 -4.427 -6.518 -7.386 1.00 0.00 C ATOM 812 CG2 VAL A 57 -2.806 -4.869 -8.353 1.00 0.00 C ATOM 0 H VAL A 57 -3.655 -6.683 -9.953 1.00 0.00 H new ATOM 0 HA VAL A 57 -6.118 -5.358 -9.179 1.00 0.00 H new ATOM 0 HB VAL A 57 -4.680 -4.379 -7.419 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.876 -6.512 -6.446 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -5.480 -6.717 -7.188 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -4.027 -7.296 -8.036 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.253 -4.851 -7.414 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -2.400 -5.647 -8.999 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -2.713 -3.902 -8.847 1.00 0.00 H new ATOM 822 N ILE A 58 -4.263 -3.827 -11.237 1.00 0.00 N ATOM 823 CA ILE A 58 -4.089 -2.547 -11.960 1.00 0.00 C ATOM 824 C ILE A 58 -5.453 -2.108 -12.498 1.00 0.00 C ATOM 825 O ILE A 58 -6.113 -2.825 -13.222 1.00 0.00 O ATOM 826 CB ILE A 58 -3.037 -2.743 -13.079 1.00 0.00 C ATOM 827 CG1 ILE A 58 -1.730 -2.107 -12.611 1.00 0.00 C ATOM 828 CG2 ILE A 58 -3.463 -2.085 -14.402 1.00 0.00 C ATOM 829 CD1 ILE A 58 -0.566 -2.657 -13.437 1.00 0.00 C ATOM 0 H ILE A 58 -3.861 -4.646 -11.693 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.720 -1.758 -11.304 1.00 0.00 H new ATOM 0 HB ILE A 58 -2.926 -3.811 -13.265 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.783 -1.023 -12.716 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.570 -2.317 -11.554 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -2.693 -2.250 -15.155 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -4.402 -2.524 -14.741 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -3.597 -1.014 -14.249 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.366 -2.202 -13.101 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.508 -3.738 -13.309 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.725 -2.424 -14.490 1.00 0.00 H new ATOM 841 N GLY A 59 -5.880 -0.937 -12.128 1.00 0.00 N ATOM 842 CA GLY A 59 -7.205 -0.448 -12.595 1.00 0.00 C ATOM 843 C GLY A 59 -8.276 -0.827 -11.566 1.00 0.00 C ATOM 844 O GLY A 59 -9.365 -0.291 -11.566 1.00 0.00 O ATOM 0 H GLY A 59 -5.369 -0.295 -11.522 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -7.180 0.633 -12.729 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -7.445 -0.884 -13.565 1.00 0.00 H new ATOM 848 N LYS A 60 -7.974 -1.747 -10.685 1.00 0.00 N ATOM 849 CA LYS A 60 -8.977 -2.152 -9.661 1.00 0.00 C ATOM 850 C LYS A 60 -9.003 -1.114 -8.540 1.00 0.00 C ATOM 851 O LYS A 60 -7.976 -0.611 -8.118 1.00 0.00 O ATOM 852 CB LYS A 60 -8.591 -3.516 -9.075 1.00 0.00 C ATOM 853 CG LYS A 60 -8.257 -4.486 -10.210 1.00 0.00 C ATOM 854 CD LYS A 60 -9.470 -4.630 -11.132 1.00 0.00 C ATOM 855 CE LYS A 60 -9.607 -6.087 -11.576 1.00 0.00 C ATOM 856 NZ LYS A 60 -10.346 -6.145 -12.870 1.00 0.00 N ATOM 0 H LYS A 60 -7.078 -2.232 -10.633 1.00 0.00 H new ATOM 0 HA LYS A 60 -9.961 -2.219 -10.125 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -7.733 -3.408 -8.411 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -9.411 -3.911 -8.475 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -7.399 -4.120 -10.774 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -7.979 -5.458 -9.802 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -10.374 -4.311 -10.613 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -9.357 -3.983 -12.002 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -8.621 -6.539 -11.687 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -10.137 -6.662 -10.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -10.439 -7.136 -13.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -11.292 -5.729 -12.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -9.823 -5.610 -13.593 1.00 0.00 H new ATOM 870 N ASN A 61 -10.167 -0.792 -8.048 1.00 0.00 N ATOM 871 CA ASN A 61 -10.258 0.205 -6.948 1.00 0.00 C ATOM 872 C ASN A 61 -9.908 -0.489 -5.629 1.00 0.00 C ATOM 873 O ASN A 61 -10.731 -1.137 -5.015 1.00 0.00 O ATOM 874 CB ASN A 61 -11.681 0.761 -6.873 1.00 0.00 C ATOM 875 CG ASN A 61 -11.674 2.242 -7.256 1.00 0.00 C ATOM 876 OD1 ASN A 61 -12.128 3.079 -6.501 1.00 0.00 O ATOM 877 ND2 ASN A 61 -11.172 2.603 -8.405 1.00 0.00 N ATOM 0 H ASN A 61 -11.058 -1.177 -8.361 1.00 0.00 H new ATOM 0 HA ASN A 61 -9.566 1.026 -7.133 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -12.335 0.205 -7.544 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -12.078 0.637 -5.865 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -11.161 3.588 -8.670 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -10.791 1.900 -9.038 1.00 0.00 H new ATOM 884 N PHE A 62 -8.685 -0.359 -5.199 1.00 0.00 N ATOM 885 CA PHE A 62 -8.244 -1.005 -3.924 1.00 0.00 C ATOM 886 C PHE A 62 -9.258 -0.748 -2.812 1.00 0.00 C ATOM 887 O PHE A 62 -9.514 -1.597 -1.981 1.00 0.00 O ATOM 888 CB PHE A 62 -6.881 -0.402 -3.534 1.00 0.00 C ATOM 889 CG PHE A 62 -6.576 -0.616 -2.061 1.00 0.00 C ATOM 890 CD1 PHE A 62 -6.940 -1.809 -1.435 1.00 0.00 C ATOM 891 CD2 PHE A 62 -5.910 0.375 -1.334 1.00 0.00 C ATOM 892 CE1 PHE A 62 -6.642 -2.012 -0.087 1.00 0.00 C ATOM 893 CE2 PHE A 62 -5.618 0.172 0.019 1.00 0.00 C ATOM 894 CZ PHE A 62 -5.987 -1.028 0.639 1.00 0.00 C ATOM 0 H PHE A 62 -7.960 0.173 -5.680 1.00 0.00 H new ATOM 0 HA PHE A 62 -8.163 -2.083 -4.064 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -6.095 -0.855 -4.138 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -6.878 0.665 -3.756 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -7.453 -2.577 -1.995 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -5.621 1.297 -1.817 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -6.922 -2.938 0.393 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -5.109 0.939 0.584 1.00 0.00 H new ATOM 0 HZ PHE A 62 -5.762 -1.188 1.683 1.00 0.00 H new ATOM 904 N PHE A 63 -9.788 0.424 -2.753 1.00 0.00 N ATOM 905 CA PHE A 63 -10.722 0.735 -1.644 1.00 0.00 C ATOM 906 C PHE A 63 -12.158 0.311 -1.976 1.00 0.00 C ATOM 907 O PHE A 63 -12.960 0.088 -1.090 1.00 0.00 O ATOM 908 CB PHE A 63 -10.689 2.237 -1.362 1.00 0.00 C ATOM 909 CG PHE A 63 -9.543 2.550 -0.433 1.00 0.00 C ATOM 910 CD1 PHE A 63 -9.642 2.239 0.927 1.00 0.00 C ATOM 911 CD2 PHE A 63 -8.382 3.154 -0.930 1.00 0.00 C ATOM 912 CE1 PHE A 63 -8.581 2.528 1.791 1.00 0.00 C ATOM 913 CE2 PHE A 63 -7.320 3.444 -0.066 1.00 0.00 C ATOM 914 CZ PHE A 63 -7.419 3.132 1.294 1.00 0.00 C ATOM 0 H PHE A 63 -9.621 1.181 -3.416 1.00 0.00 H new ATOM 0 HA PHE A 63 -10.401 0.176 -0.765 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -10.577 2.790 -2.294 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -11.631 2.554 -0.914 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -10.539 1.775 1.310 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -8.306 3.396 -1.980 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -8.657 2.286 2.841 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -6.424 3.909 -0.449 1.00 0.00 H new ATOM 0 HZ PHE A 63 -6.600 3.357 1.961 1.00 0.00 H new ATOM 924 N LYS A 64 -12.502 0.206 -3.229 1.00 0.00 N ATOM 925 CA LYS A 64 -13.896 -0.190 -3.577 1.00 0.00 C ATOM 926 C LYS A 64 -13.869 -1.225 -4.696 1.00 0.00 C ATOM 927 O LYS A 64 -14.630 -1.154 -5.640 1.00 0.00 O ATOM 928 CB LYS A 64 -14.676 1.040 -4.043 1.00 0.00 C ATOM 929 CG LYS A 64 -16.076 1.016 -3.426 1.00 0.00 C ATOM 930 CD LYS A 64 -16.588 2.448 -3.261 1.00 0.00 C ATOM 931 CE LYS A 64 -17.300 2.889 -4.542 1.00 0.00 C ATOM 932 NZ LYS A 64 -18.413 3.818 -4.196 1.00 0.00 N ATOM 0 H LYS A 64 -11.884 0.376 -4.022 1.00 0.00 H new ATOM 0 HA LYS A 64 -14.379 -0.617 -2.698 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -14.152 1.950 -3.749 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -14.746 1.050 -5.131 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -16.755 0.447 -4.061 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -16.050 0.515 -2.459 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -17.272 2.505 -2.414 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -15.757 3.120 -3.045 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -16.595 3.382 -5.211 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -17.689 2.020 -5.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -18.898 4.118 -5.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -19.089 3.332 -3.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -18.030 4.652 -3.708 1.00 0.00 H new ATOM 946 N ASP A 65 -12.997 -2.186 -4.602 1.00 0.00 N ATOM 947 CA ASP A 65 -12.931 -3.220 -5.673 1.00 0.00 C ATOM 948 C ASP A 65 -11.940 -4.342 -5.322 1.00 0.00 C ATOM 949 O ASP A 65 -12.010 -5.418 -5.884 1.00 0.00 O ATOM 950 CB ASP A 65 -12.495 -2.556 -6.979 1.00 0.00 C ATOM 951 CG ASP A 65 -12.990 -3.385 -8.166 1.00 0.00 C ATOM 952 OD1 ASP A 65 -13.891 -4.185 -7.971 1.00 0.00 O ATOM 953 OD2 ASP A 65 -12.459 -3.207 -9.250 1.00 0.00 O ATOM 0 H ASP A 65 -12.331 -2.302 -3.838 1.00 0.00 H new ATOM 0 HA ASP A 65 -13.920 -3.665 -5.777 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -12.897 -1.544 -7.036 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -11.409 -2.470 -7.010 1.00 0.00 H new ATOM 958 N VAL A 66 -11.010 -4.123 -4.422 1.00 0.00 N ATOM 959 CA VAL A 66 -10.045 -5.198 -4.097 1.00 0.00 C ATOM 960 C VAL A 66 -10.187 -5.589 -2.638 1.00 0.00 C ATOM 961 O VAL A 66 -10.419 -6.730 -2.291 1.00 0.00 O ATOM 962 CB VAL A 66 -8.629 -4.667 -4.277 1.00 0.00 C ATOM 963 CG1 VAL A 66 -7.652 -5.834 -4.297 1.00 0.00 C ATOM 964 CG2 VAL A 66 -8.511 -3.873 -5.576 1.00 0.00 C ATOM 0 H VAL A 66 -10.885 -3.251 -3.907 1.00 0.00 H new ATOM 0 HA VAL A 66 -10.238 -6.051 -4.748 1.00 0.00 H new ATOM 0 HB VAL A 66 -8.394 -4.003 -3.445 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -6.637 -5.457 -4.426 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -7.719 -6.381 -3.357 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -7.899 -6.501 -5.123 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -7.492 -3.503 -5.685 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -8.755 -4.518 -6.420 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -9.202 -3.031 -5.552 1.00 0.00 H new ATOM 974 N ALA A 67 -9.991 -4.634 -1.790 1.00 0.00 N ATOM 975 CA ALA A 67 -10.040 -4.882 -0.337 1.00 0.00 C ATOM 976 C ALA A 67 -11.333 -4.312 0.265 1.00 0.00 C ATOM 977 O ALA A 67 -11.433 -3.118 0.467 1.00 0.00 O ATOM 978 CB ALA A 67 -8.841 -4.169 0.261 1.00 0.00 C ATOM 0 H ALA A 67 -9.794 -3.668 -2.050 1.00 0.00 H new ATOM 0 HA ALA A 67 -10.020 -5.951 -0.126 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -8.829 -4.321 1.340 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -7.925 -4.571 -0.172 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -8.907 -3.103 0.045 1.00 0.00 H new ATOM 984 N PRO A 68 -12.286 -5.176 0.554 1.00 0.00 N ATOM 985 CA PRO A 68 -13.568 -4.752 1.144 1.00 0.00 C ATOM 986 C PRO A 68 -13.403 -4.415 2.632 1.00 0.00 C ATOM 987 O PRO A 68 -14.356 -4.071 3.302 1.00 0.00 O ATOM 988 CB PRO A 68 -14.478 -5.969 0.954 1.00 0.00 C ATOM 989 CG PRO A 68 -13.544 -7.190 0.793 1.00 0.00 C ATOM 990 CD PRO A 68 -12.184 -6.639 0.330 1.00 0.00 C ATOM 0 HA PRO A 68 -13.968 -3.851 0.679 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -15.140 -6.097 1.810 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -15.112 -5.847 0.076 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -13.444 -7.729 1.735 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -13.947 -7.893 0.064 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -11.364 -7.073 0.902 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -11.998 -6.869 -0.719 1.00 0.00 H new ATOM 998 N CYS A 69 -12.209 -4.508 3.160 1.00 0.00 N ATOM 999 CA CYS A 69 -12.018 -4.187 4.599 1.00 0.00 C ATOM 1000 C CYS A 69 -11.304 -2.832 4.745 1.00 0.00 C ATOM 1001 O CYS A 69 -11.366 -2.200 5.780 1.00 0.00 O ATOM 1002 CB CYS A 69 -11.207 -5.314 5.276 1.00 0.00 C ATOM 1003 SG CYS A 69 -9.427 -5.127 4.965 1.00 0.00 S ATOM 0 H CYS A 69 -11.367 -4.790 2.658 1.00 0.00 H new ATOM 0 HA CYS A 69 -12.989 -4.114 5.089 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -11.393 -5.304 6.350 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -11.544 -6.281 4.903 1.00 0.00 H new ATOM 0 HG CYS A 69 -8.758 -5.795 5.857 1.00 0.00 H new ATOM 1008 N THR A 70 -10.620 -2.387 3.721 1.00 0.00 N ATOM 1009 CA THR A 70 -9.903 -1.081 3.825 1.00 0.00 C ATOM 1010 C THR A 70 -10.877 0.074 3.575 1.00 0.00 C ATOM 1011 O THR A 70 -10.494 1.226 3.582 1.00 0.00 O ATOM 1012 CB THR A 70 -8.765 -1.031 2.799 1.00 0.00 C ATOM 1013 OG1 THR A 70 -9.275 -1.345 1.512 1.00 0.00 O ATOM 1014 CG2 THR A 70 -7.686 -2.044 3.188 1.00 0.00 C ATOM 0 H THR A 70 -10.528 -2.867 2.826 1.00 0.00 H new ATOM 0 HA THR A 70 -9.487 -0.984 4.828 1.00 0.00 H new ATOM 0 HB THR A 70 -8.332 -0.031 2.781 1.00 0.00 H new ATOM 0 HG1 THR A 70 -8.533 -1.432 0.878 1.00 0.00 H new ATOM 0 HG21 THR A 70 -6.876 -2.010 2.460 1.00 0.00 H new ATOM 0 HG22 THR A 70 -7.296 -1.799 4.176 1.00 0.00 H new ATOM 0 HG23 THR A 70 -8.116 -3.045 3.206 1.00 0.00 H new ATOM 1022 N ASP A 71 -12.135 -0.214 3.366 1.00 0.00 N ATOM 1023 CA ASP A 71 -13.115 0.882 3.132 1.00 0.00 C ATOM 1024 C ASP A 71 -13.788 1.235 4.458 1.00 0.00 C ATOM 1025 O ASP A 71 -14.997 1.215 4.580 1.00 0.00 O ATOM 1026 CB ASP A 71 -14.169 0.423 2.122 1.00 0.00 C ATOM 1027 CG ASP A 71 -15.195 1.538 1.912 1.00 0.00 C ATOM 1028 OD1 ASP A 71 -14.894 2.460 1.172 1.00 0.00 O ATOM 1029 OD2 ASP A 71 -16.262 1.451 2.497 1.00 0.00 O ATOM 0 H ASP A 71 -12.523 -1.157 3.348 1.00 0.00 H new ATOM 0 HA ASP A 71 -12.603 1.758 2.735 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -13.694 0.169 1.175 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -14.665 -0.479 2.482 1.00 0.00 H new ATOM 1034 N SER A 72 -13.008 1.550 5.453 1.00 0.00 N ATOM 1035 CA SER A 72 -13.586 1.898 6.782 1.00 0.00 C ATOM 1036 C SER A 72 -12.868 3.137 7.341 1.00 0.00 C ATOM 1037 O SER A 72 -11.934 3.625 6.731 1.00 0.00 O ATOM 1038 CB SER A 72 -13.391 0.722 7.738 1.00 0.00 C ATOM 1039 OG SER A 72 -14.663 0.222 8.133 1.00 0.00 O ATOM 0 H SER A 72 -11.990 1.582 5.404 1.00 0.00 H new ATOM 0 HA SER A 72 -14.650 2.111 6.676 1.00 0.00 H new ATOM 0 HB2 SER A 72 -12.813 -0.064 7.253 1.00 0.00 H new ATOM 0 HB3 SER A 72 -12.824 1.040 8.613 1.00 0.00 H new ATOM 0 HG SER A 72 -14.542 -0.534 8.745 1.00 0.00 H new ATOM 1045 N PRO A 73 -13.324 3.616 8.489 1.00 0.00 N ATOM 1046 CA PRO A 73 -12.734 4.801 9.142 1.00 0.00 C ATOM 1047 C PRO A 73 -11.420 4.432 9.836 1.00 0.00 C ATOM 1048 O PRO A 73 -11.358 4.271 11.038 1.00 0.00 O ATOM 1049 CB PRO A 73 -13.797 5.223 10.160 1.00 0.00 C ATOM 1050 CG PRO A 73 -14.662 3.971 10.434 1.00 0.00 C ATOM 1051 CD PRO A 73 -14.457 3.022 9.241 1.00 0.00 C ATOM 0 HA PRO A 73 -12.489 5.599 8.440 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -13.334 5.583 11.078 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -14.406 6.038 9.770 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -14.364 3.491 11.366 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -15.713 4.242 10.537 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -14.227 2.010 9.573 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -15.354 2.959 8.625 1.00 0.00 H new ATOM 1059 N GLU A 74 -10.374 4.301 9.071 1.00 0.00 N ATOM 1060 CA GLU A 74 -9.045 3.942 9.639 1.00 0.00 C ATOM 1061 C GLU A 74 -8.107 3.678 8.468 1.00 0.00 C ATOM 1062 O GLU A 74 -6.942 4.020 8.489 1.00 0.00 O ATOM 1063 CB GLU A 74 -9.166 2.679 10.490 1.00 0.00 C ATOM 1064 CG GLU A 74 -8.458 2.893 11.830 1.00 0.00 C ATOM 1065 CD GLU A 74 -9.446 2.660 12.973 1.00 0.00 C ATOM 1066 OE1 GLU A 74 -10.335 1.843 12.804 1.00 0.00 O ATOM 1067 OE2 GLU A 74 -9.296 3.305 14.000 1.00 0.00 O ATOM 0 H GLU A 74 -10.384 4.430 8.059 1.00 0.00 H new ATOM 0 HA GLU A 74 -8.667 4.748 10.269 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -10.216 2.440 10.656 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -8.725 1.831 9.966 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -7.614 2.210 11.920 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -8.056 3.905 11.883 1.00 0.00 H new ATOM 1074 N PHE A 75 -8.632 3.090 7.432 1.00 0.00 N ATOM 1075 CA PHE A 75 -7.815 2.816 6.227 1.00 0.00 C ATOM 1076 C PHE A 75 -8.233 3.820 5.149 1.00 0.00 C ATOM 1077 O PHE A 75 -7.478 4.702 4.777 1.00 0.00 O ATOM 1078 CB PHE A 75 -8.072 1.386 5.747 1.00 0.00 C ATOM 1079 CG PHE A 75 -6.809 0.829 5.139 1.00 0.00 C ATOM 1080 CD1 PHE A 75 -6.327 1.358 3.941 1.00 0.00 C ATOM 1081 CD2 PHE A 75 -6.123 -0.216 5.770 1.00 0.00 C ATOM 1082 CE1 PHE A 75 -5.160 0.850 3.369 1.00 0.00 C ATOM 1083 CE2 PHE A 75 -4.949 -0.726 5.198 1.00 0.00 C ATOM 1084 CZ PHE A 75 -4.468 -0.192 3.996 1.00 0.00 C ATOM 0 H PHE A 75 -9.604 2.785 7.371 1.00 0.00 H new ATOM 0 HA PHE A 75 -6.752 2.917 6.446 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -8.393 0.762 6.581 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -8.878 1.376 5.013 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -6.859 2.163 3.455 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -6.497 -0.628 6.695 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -4.791 1.262 2.441 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -4.416 -1.530 5.684 1.00 0.00 H new ATOM 0 HZ PHE A 75 -3.564 -0.584 3.554 1.00 0.00 H new ATOM 1094 N TYR A 76 -9.449 3.728 4.674 1.00 0.00 N ATOM 1095 CA TYR A 76 -9.910 4.711 3.657 1.00 0.00 C ATOM 1096 C TYR A 76 -10.248 6.016 4.372 1.00 0.00 C ATOM 1097 O TYR A 76 -10.286 7.061 3.772 1.00 0.00 O ATOM 1098 CB TYR A 76 -11.149 4.189 2.923 1.00 0.00 C ATOM 1099 CG TYR A 76 -11.318 4.945 1.622 1.00 0.00 C ATOM 1100 CD1 TYR A 76 -10.220 5.131 0.768 1.00 0.00 C ATOM 1101 CD2 TYR A 76 -12.571 5.461 1.269 1.00 0.00 C ATOM 1102 CE1 TYR A 76 -10.377 5.832 -0.434 1.00 0.00 C ATOM 1103 CE2 TYR A 76 -12.726 6.161 0.065 1.00 0.00 C ATOM 1104 CZ TYR A 76 -11.630 6.346 -0.786 1.00 0.00 C ATOM 1105 OH TYR A 76 -11.787 7.036 -1.970 1.00 0.00 O ATOM 0 H TYR A 76 -10.133 3.022 4.945 1.00 0.00 H new ATOM 0 HA TYR A 76 -9.122 4.871 2.921 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -11.046 3.122 2.726 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -12.034 4.314 3.547 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -9.253 4.733 1.038 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -13.418 5.320 1.924 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -9.531 5.976 -1.090 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -13.693 6.558 -0.207 1.00 0.00 H new ATOM 0 HH TYR A 76 -12.720 7.323 -2.060 1.00 0.00 H new ATOM 1115 N GLY A 77 -10.490 5.960 5.656 1.00 0.00 N ATOM 1116 CA GLY A 77 -10.798 7.201 6.421 1.00 0.00 C ATOM 1117 C GLY A 77 -9.581 8.125 6.408 1.00 0.00 C ATOM 1118 O GLY A 77 -9.638 9.246 5.945 1.00 0.00 O ATOM 0 H GLY A 77 -10.487 5.103 6.209 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -11.657 7.708 5.981 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -11.067 6.951 7.447 1.00 0.00 H new ATOM 1122 N LYS A 78 -8.484 7.655 6.936 1.00 0.00 N ATOM 1123 CA LYS A 78 -7.249 8.494 6.986 1.00 0.00 C ATOM 1124 C LYS A 78 -6.735 8.754 5.574 1.00 0.00 C ATOM 1125 O LYS A 78 -5.925 9.626 5.345 1.00 0.00 O ATOM 1126 CB LYS A 78 -6.182 7.780 7.826 1.00 0.00 C ATOM 1127 CG LYS A 78 -6.831 7.102 9.050 1.00 0.00 C ATOM 1128 CD LYS A 78 -7.951 7.982 9.633 1.00 0.00 C ATOM 1129 CE LYS A 78 -8.025 7.785 11.149 1.00 0.00 C ATOM 1130 NZ LYS A 78 -7.797 9.087 11.845 1.00 0.00 N ATOM 0 H LYS A 78 -8.388 6.722 7.337 1.00 0.00 H new ATOM 0 HA LYS A 78 -7.480 9.454 7.448 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -5.669 7.035 7.218 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -5.429 8.496 8.155 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -7.237 6.133 8.761 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -6.074 6.916 9.812 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -7.761 9.030 9.402 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -8.906 7.723 9.176 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -8.999 7.382 11.424 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -7.278 7.058 11.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -7.849 8.944 12.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -6.857 9.455 11.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -8.526 9.769 11.553 1.00 0.00 H new ATOM 1144 N PHE A 79 -7.203 8.008 4.624 1.00 0.00 N ATOM 1145 CA PHE A 79 -6.771 8.221 3.232 1.00 0.00 C ATOM 1146 C PHE A 79 -7.626 9.327 2.629 1.00 0.00 C ATOM 1147 O PHE A 79 -7.159 10.133 1.865 1.00 0.00 O ATOM 1148 CB PHE A 79 -6.972 6.915 2.474 1.00 0.00 C ATOM 1149 CG PHE A 79 -6.897 7.117 0.973 1.00 0.00 C ATOM 1150 CD1 PHE A 79 -8.000 7.649 0.288 1.00 0.00 C ATOM 1151 CD2 PHE A 79 -5.744 6.756 0.261 1.00 0.00 C ATOM 1152 CE1 PHE A 79 -7.949 7.818 -1.099 1.00 0.00 C ATOM 1153 CE2 PHE A 79 -5.700 6.926 -1.122 1.00 0.00 C ATOM 1154 CZ PHE A 79 -6.799 7.452 -1.802 1.00 0.00 C ATOM 0 H PHE A 79 -7.874 7.252 4.757 1.00 0.00 H new ATOM 0 HA PHE A 79 -5.722 8.514 3.177 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -6.213 6.196 2.782 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -7.940 6.489 2.735 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -8.890 7.928 0.833 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -4.892 6.347 0.783 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -8.797 8.231 -1.626 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -4.811 6.649 -1.670 1.00 0.00 H new ATOM 0 HZ PHE A 79 -6.760 7.576 -2.874 1.00 0.00 H new ATOM 1164 N LYS A 80 -8.873 9.375 2.983 1.00 0.00 N ATOM 1165 CA LYS A 80 -9.751 10.427 2.451 1.00 0.00 C ATOM 1166 C LYS A 80 -9.488 11.718 3.219 1.00 0.00 C ATOM 1167 O LYS A 80 -9.926 12.783 2.833 1.00 0.00 O ATOM 1168 CB LYS A 80 -11.215 10.013 2.623 1.00 0.00 C ATOM 1169 CG LYS A 80 -11.767 9.519 1.285 1.00 0.00 C ATOM 1170 CD LYS A 80 -13.192 10.044 1.095 1.00 0.00 C ATOM 1171 CE LYS A 80 -13.372 10.528 -0.345 1.00 0.00 C ATOM 1172 NZ LYS A 80 -13.100 11.991 -0.414 1.00 0.00 N ATOM 0 H LYS A 80 -9.320 8.721 3.625 1.00 0.00 H new ATOM 0 HA LYS A 80 -9.549 10.578 1.391 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -11.296 9.227 3.374 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -11.803 10.858 2.981 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -11.131 9.860 0.469 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -11.763 8.429 1.258 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -13.913 9.258 1.318 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -13.386 10.860 1.791 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -12.695 9.990 -1.008 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -14.386 10.319 -0.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -13.222 12.321 -1.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -13.763 12.497 0.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -12.125 12.178 -0.105 1.00 0.00 H new ATOM 1186 N GLU A 81 -8.753 11.637 4.299 1.00 0.00 N ATOM 1187 CA GLU A 81 -8.450 12.879 5.069 1.00 0.00 C ATOM 1188 C GLU A 81 -7.068 13.378 4.650 1.00 0.00 C ATOM 1189 O GLU A 81 -6.828 14.562 4.537 1.00 0.00 O ATOM 1190 CB GLU A 81 -8.529 12.624 6.581 1.00 0.00 C ATOM 1191 CG GLU A 81 -7.302 11.868 7.064 1.00 0.00 C ATOM 1192 CD GLU A 81 -6.198 12.861 7.426 1.00 0.00 C ATOM 1193 OE1 GLU A 81 -6.474 13.770 8.192 1.00 0.00 O ATOM 1194 OE2 GLU A 81 -5.094 12.696 6.934 1.00 0.00 O ATOM 0 H GLU A 81 -8.355 10.777 4.676 1.00 0.00 H new ATOM 0 HA GLU A 81 -9.192 13.646 4.847 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -8.609 13.573 7.111 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -9.428 12.053 6.812 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -7.556 11.259 7.931 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -6.953 11.187 6.288 1.00 0.00 H new ATOM 1201 N GLY A 82 -6.168 12.469 4.386 1.00 0.00 N ATOM 1202 CA GLY A 82 -4.811 12.875 3.931 1.00 0.00 C ATOM 1203 C GLY A 82 -4.955 13.462 2.533 1.00 0.00 C ATOM 1204 O GLY A 82 -4.330 14.441 2.188 1.00 0.00 O ATOM 0 H GLY A 82 -6.316 11.463 4.466 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -4.381 13.609 4.613 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -4.138 12.018 3.920 1.00 0.00 H new ATOM 1208 N VAL A 83 -5.793 12.862 1.733 1.00 0.00 N ATOM 1209 CA VAL A 83 -6.013 13.375 0.351 1.00 0.00 C ATOM 1210 C VAL A 83 -6.497 14.827 0.418 1.00 0.00 C ATOM 1211 O VAL A 83 -5.911 15.717 -0.166 1.00 0.00 O ATOM 1212 CB VAL A 83 -7.076 12.516 -0.343 1.00 0.00 C ATOM 1213 CG1 VAL A 83 -7.383 13.081 -1.732 1.00 0.00 C ATOM 1214 CG2 VAL A 83 -6.563 11.082 -0.483 1.00 0.00 C ATOM 0 H VAL A 83 -6.337 12.035 1.978 1.00 0.00 H new ATOM 0 HA VAL A 83 -5.080 13.328 -0.210 1.00 0.00 H new ATOM 0 HB VAL A 83 -7.986 12.525 0.257 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -8.139 12.464 -2.217 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -7.754 14.101 -1.636 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -6.474 13.081 -2.334 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -7.319 10.472 -0.977 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -5.649 11.079 -1.078 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -6.354 10.672 0.505 1.00 0.00 H new ATOM 1224 N ALA A 84 -7.570 15.068 1.120 1.00 0.00 N ATOM 1225 CA ALA A 84 -8.103 16.456 1.221 1.00 0.00 C ATOM 1226 C ALA A 84 -7.116 17.340 1.988 1.00 0.00 C ATOM 1227 O ALA A 84 -7.147 18.549 1.889 1.00 0.00 O ATOM 1228 CB ALA A 84 -9.442 16.428 1.961 1.00 0.00 C ATOM 0 H ALA A 84 -8.102 14.362 1.629 1.00 0.00 H new ATOM 0 HA ALA A 84 -8.242 16.863 0.219 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -9.837 17.441 2.038 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -10.148 15.804 1.413 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -9.297 16.019 2.961 1.00 0.00 H new ATOM 1234 N SER A 85 -6.240 16.747 2.752 1.00 0.00 N ATOM 1235 CA SER A 85 -5.257 17.557 3.524 1.00 0.00 C ATOM 1236 C SER A 85 -4.140 18.032 2.592 1.00 0.00 C ATOM 1237 O SER A 85 -3.541 19.067 2.802 1.00 0.00 O ATOM 1238 CB SER A 85 -4.659 16.702 4.639 1.00 0.00 C ATOM 1239 OG SER A 85 -5.361 16.950 5.849 1.00 0.00 O ATOM 0 H SER A 85 -6.163 15.737 2.875 1.00 0.00 H new ATOM 0 HA SER A 85 -5.760 18.422 3.957 1.00 0.00 H new ATOM 0 HB2 SER A 85 -4.724 15.646 4.378 1.00 0.00 H new ATOM 0 HB3 SER A 85 -3.602 16.935 4.764 1.00 0.00 H new ATOM 0 HG SER A 85 -6.101 16.313 5.934 1.00 0.00 H new ATOM 1245 N GLY A 86 -3.851 17.279 1.567 1.00 0.00 N ATOM 1246 CA GLY A 86 -2.768 17.686 0.627 1.00 0.00 C ATOM 1247 C GLY A 86 -1.423 17.193 1.161 1.00 0.00 C ATOM 1248 O GLY A 86 -0.383 17.733 0.846 1.00 0.00 O ATOM 0 H GLY A 86 -4.317 16.401 1.339 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -2.954 17.269 -0.363 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -2.754 18.770 0.518 1.00 0.00 H new ATOM 1252 N ASN A 87 -1.440 16.168 1.969 1.00 0.00 N ATOM 1253 CA ASN A 87 -0.168 15.634 2.528 1.00 0.00 C ATOM 1254 C ASN A 87 -0.462 14.339 3.284 1.00 0.00 C ATOM 1255 O ASN A 87 -0.185 14.216 4.459 1.00 0.00 O ATOM 1256 CB ASN A 87 0.440 16.658 3.487 1.00 0.00 C ATOM 1257 CG ASN A 87 -0.617 17.095 4.502 1.00 0.00 C ATOM 1258 OD1 ASN A 87 -1.410 16.293 4.954 1.00 0.00 O ATOM 1259 ND2 ASN A 87 -0.664 18.343 4.881 1.00 0.00 N ATOM 0 H ASN A 87 -2.283 15.677 2.266 1.00 0.00 H new ATOM 0 HA ASN A 87 0.536 15.438 1.719 1.00 0.00 H new ATOM 0 HB2 ASN A 87 1.298 16.225 4.002 1.00 0.00 H new ATOM 0 HB3 ASN A 87 0.805 17.522 2.931 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -1.366 18.645 5.556 1.00 0.00 H new ATOM 0 HD22 ASN A 87 0.002 19.017 4.502 1.00 0.00 H new ATOM 1266 N LEU A 88 -1.028 13.373 2.614 1.00 0.00 N ATOM 1267 CA LEU A 88 -1.353 12.080 3.284 1.00 0.00 C ATOM 1268 C LEU A 88 -0.131 11.566 4.051 1.00 0.00 C ATOM 1269 O LEU A 88 0.937 11.406 3.498 1.00 0.00 O ATOM 1270 CB LEU A 88 -1.759 11.049 2.230 1.00 0.00 C ATOM 1271 CG LEU A 88 -2.771 10.074 2.836 1.00 0.00 C ATOM 1272 CD1 LEU A 88 -4.089 10.147 2.061 1.00 0.00 C ATOM 1273 CD2 LEU A 88 -2.211 8.652 2.762 1.00 0.00 C ATOM 0 H LEU A 88 -1.281 13.423 1.627 1.00 0.00 H new ATOM 0 HA LEU A 88 -2.175 12.237 3.982 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -2.193 11.549 1.364 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -0.881 10.507 1.878 1.00 0.00 H new ATOM 0 HG LEU A 88 -2.953 10.342 3.877 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -4.806 9.451 2.496 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -4.488 11.160 2.116 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.913 9.882 1.018 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -2.930 7.955 3.193 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -2.028 8.387 1.721 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -1.276 8.600 3.320 1.00 0.00 H new ATOM 1285 N ASN A 89 -0.285 11.311 5.321 1.00 0.00 N ATOM 1286 CA ASN A 89 0.862 10.809 6.128 1.00 0.00 C ATOM 1287 C ASN A 89 0.327 10.157 7.404 1.00 0.00 C ATOM 1288 O ASN A 89 0.177 10.806 8.421 1.00 0.00 O ATOM 1289 CB ASN A 89 1.780 11.980 6.496 1.00 0.00 C ATOM 1290 CG ASN A 89 2.919 11.485 7.390 1.00 0.00 C ATOM 1291 OD1 ASN A 89 2.752 11.345 8.586 1.00 0.00 O ATOM 1292 ND2 ASN A 89 4.079 11.212 6.859 1.00 0.00 N ATOM 0 H ASN A 89 -1.158 11.429 5.836 1.00 0.00 H new ATOM 0 HA ASN A 89 1.427 10.077 5.550 1.00 0.00 H new ATOM 0 HB2 ASN A 89 2.186 12.434 5.592 1.00 0.00 H new ATOM 0 HB3 ASN A 89 1.210 12.753 7.012 1.00 0.00 H new ATOM 0 HD21 ASN A 89 4.844 10.882 7.447 1.00 0.00 H new ATOM 0 HD22 ASN A 89 4.221 11.329 5.856 1.00 0.00 H new ATOM 1299 N THR A 90 0.030 8.884 7.367 1.00 0.00 N ATOM 1300 CA THR A 90 -0.502 8.226 8.598 1.00 0.00 C ATOM 1301 C THR A 90 -0.249 6.716 8.558 1.00 0.00 C ATOM 1302 O THR A 90 0.113 6.158 7.542 1.00 0.00 O ATOM 1303 CB THR A 90 -2.007 8.485 8.698 1.00 0.00 C ATOM 1304 OG1 THR A 90 -2.543 7.727 9.774 1.00 0.00 O ATOM 1305 CG2 THR A 90 -2.686 8.071 7.392 1.00 0.00 C ATOM 0 H THR A 90 0.130 8.279 6.552 1.00 0.00 H new ATOM 0 HA THR A 90 0.009 8.642 9.466 1.00 0.00 H new ATOM 0 HB THR A 90 -2.184 9.546 8.875 1.00 0.00 H new ATOM 0 HG1 THR A 90 -2.828 6.849 9.446 1.00 0.00 H new ATOM 0 HG21 THR A 90 -3.758 8.256 7.465 1.00 0.00 H new ATOM 0 HG22 THR A 90 -2.273 8.651 6.567 1.00 0.00 H new ATOM 0 HG23 THR A 90 -2.512 7.010 7.212 1.00 0.00 H new ATOM 1313 N MET A 91 -0.448 6.055 9.669 1.00 0.00 N ATOM 1314 CA MET A 91 -0.236 4.579 9.729 1.00 0.00 C ATOM 1315 C MET A 91 -1.263 3.972 10.692 1.00 0.00 C ATOM 1316 O MET A 91 -1.951 4.682 11.398 1.00 0.00 O ATOM 1317 CB MET A 91 1.176 4.287 10.244 1.00 0.00 C ATOM 1318 CG MET A 91 1.411 5.036 11.555 1.00 0.00 C ATOM 1319 SD MET A 91 1.154 3.905 12.946 1.00 0.00 S ATOM 1320 CE MET A 91 1.093 5.155 14.253 1.00 0.00 C ATOM 0 H MET A 91 -0.751 6.480 10.545 1.00 0.00 H new ATOM 0 HA MET A 91 -0.355 4.146 8.736 1.00 0.00 H new ATOM 0 HB2 MET A 91 1.303 3.215 10.398 1.00 0.00 H new ATOM 0 HB3 MET A 91 1.914 4.592 9.502 1.00 0.00 H new ATOM 0 HG2 MET A 91 2.424 5.438 11.581 1.00 0.00 H new ATOM 0 HG3 MET A 91 0.730 5.884 11.630 1.00 0.00 H new ATOM 0 HE1 MET A 91 0.938 4.668 15.216 1.00 0.00 H new ATOM 0 HE2 MET A 91 2.033 5.707 14.273 1.00 0.00 H new ATOM 0 HE3 MET A 91 0.271 5.844 14.059 1.00 0.00 H new ATOM 1330 N PHE A 92 -1.374 2.670 10.738 1.00 0.00 N ATOM 1331 CA PHE A 92 -2.364 2.048 11.678 1.00 0.00 C ATOM 1332 C PHE A 92 -2.257 0.525 11.629 1.00 0.00 C ATOM 1333 O PHE A 92 -1.778 -0.040 10.675 1.00 0.00 O ATOM 1334 CB PHE A 92 -3.787 2.465 11.291 1.00 0.00 C ATOM 1335 CG PHE A 92 -4.013 2.212 9.821 1.00 0.00 C ATOM 1336 CD1 PHE A 92 -4.190 0.907 9.346 1.00 0.00 C ATOM 1337 CD2 PHE A 92 -4.041 3.289 8.931 1.00 0.00 C ATOM 1338 CE1 PHE A 92 -4.388 0.682 7.977 1.00 0.00 C ATOM 1339 CE2 PHE A 92 -4.244 3.065 7.567 1.00 0.00 C ATOM 1340 CZ PHE A 92 -4.417 1.762 7.089 1.00 0.00 C ATOM 0 H PHE A 92 -0.832 2.015 10.175 1.00 0.00 H new ATOM 0 HA PHE A 92 -2.144 2.392 12.689 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -4.513 1.905 11.881 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -3.940 3.521 11.515 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -4.174 0.075 10.034 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -3.906 4.296 9.298 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -4.518 -0.325 7.608 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -4.267 3.899 6.881 1.00 0.00 H new ATOM 0 HZ PHE A 92 -4.573 1.590 6.034 1.00 0.00 H new ATOM 1350 N GLU A 93 -2.708 -0.148 12.651 1.00 0.00 N ATOM 1351 CA GLU A 93 -2.635 -1.636 12.651 1.00 0.00 C ATOM 1352 C GLU A 93 -3.936 -2.206 12.081 1.00 0.00 C ATOM 1353 O GLU A 93 -4.999 -2.022 12.639 1.00 0.00 O ATOM 1354 CB GLU A 93 -2.440 -2.134 14.085 1.00 0.00 C ATOM 1355 CG GLU A 93 -1.029 -1.782 14.560 1.00 0.00 C ATOM 1356 CD GLU A 93 0.000 -2.452 13.647 1.00 0.00 C ATOM 1357 OE1 GLU A 93 -0.366 -3.398 12.967 1.00 0.00 O ATOM 1358 OE2 GLU A 93 1.136 -2.010 13.643 1.00 0.00 O ATOM 0 H GLU A 93 -3.123 0.267 13.485 1.00 0.00 H new ATOM 0 HA GLU A 93 -1.796 -1.963 12.037 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -3.181 -1.679 14.743 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -2.592 -3.212 14.131 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -0.890 -0.701 14.550 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -0.887 -2.112 15.589 1.00 0.00 H new ATOM 1365 N TYR A 94 -3.865 -2.887 10.968 1.00 0.00 N ATOM 1366 CA TYR A 94 -5.105 -3.454 10.364 1.00 0.00 C ATOM 1367 C TYR A 94 -4.967 -4.971 10.210 1.00 0.00 C ATOM 1368 O TYR A 94 -3.996 -5.567 10.629 1.00 0.00 O ATOM 1369 CB TYR A 94 -5.332 -2.825 8.988 1.00 0.00 C ATOM 1370 CG TYR A 94 -6.800 -2.526 8.804 1.00 0.00 C ATOM 1371 CD1 TYR A 94 -7.432 -1.585 9.627 1.00 0.00 C ATOM 1372 CD2 TYR A 94 -7.531 -3.189 7.811 1.00 0.00 C ATOM 1373 CE1 TYR A 94 -8.793 -1.306 9.456 1.00 0.00 C ATOM 1374 CE2 TYR A 94 -8.893 -2.911 7.640 1.00 0.00 C ATOM 1375 CZ TYR A 94 -9.523 -1.969 8.462 1.00 0.00 C ATOM 1376 OH TYR A 94 -10.865 -1.691 8.292 1.00 0.00 O ATOM 0 H TYR A 94 -3.005 -3.074 10.453 1.00 0.00 H new ATOM 0 HA TYR A 94 -5.951 -3.236 11.015 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -4.749 -1.908 8.895 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -4.988 -3.502 8.206 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -6.869 -1.074 10.394 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -7.044 -3.915 7.177 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -9.280 -0.580 10.090 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -9.457 -3.423 6.874 1.00 0.00 H new ATOM 0 HH TYR A 94 -11.074 -1.660 7.335 1.00 0.00 H new ATOM 1386 N THR A 95 -5.941 -5.592 9.605 1.00 0.00 N ATOM 1387 CA THR A 95 -5.893 -7.070 9.408 1.00 0.00 C ATOM 1388 C THR A 95 -6.656 -7.426 8.131 1.00 0.00 C ATOM 1389 O THR A 95 -7.855 -7.244 8.042 1.00 0.00 O ATOM 1390 CB THR A 95 -6.542 -7.766 10.608 1.00 0.00 C ATOM 1391 OG1 THR A 95 -5.794 -7.478 11.782 1.00 0.00 O ATOM 1392 CG2 THR A 95 -6.569 -9.279 10.378 1.00 0.00 C ATOM 0 H THR A 95 -6.775 -5.136 9.235 1.00 0.00 H new ATOM 0 HA THR A 95 -4.858 -7.399 9.320 1.00 0.00 H new ATOM 0 HB THR A 95 -7.563 -7.403 10.726 1.00 0.00 H new ATOM 0 HG1 THR A 95 -6.209 -7.921 12.551 1.00 0.00 H new ATOM 0 HG21 THR A 95 -7.032 -9.769 11.235 1.00 0.00 H new ATOM 0 HG22 THR A 95 -7.144 -9.500 9.479 1.00 0.00 H new ATOM 0 HG23 THR A 95 -5.550 -9.647 10.256 1.00 0.00 H new ATOM 1400 N PHE A 96 -5.973 -7.921 7.136 1.00 0.00 N ATOM 1401 CA PHE A 96 -6.670 -8.271 5.863 1.00 0.00 C ATOM 1402 C PHE A 96 -7.248 -9.686 5.943 1.00 0.00 C ATOM 1403 O PHE A 96 -6.532 -10.656 6.093 1.00 0.00 O ATOM 1404 CB PHE A 96 -5.681 -8.192 4.693 1.00 0.00 C ATOM 1405 CG PHE A 96 -5.059 -6.808 4.603 1.00 0.00 C ATOM 1406 CD1 PHE A 96 -5.704 -5.686 5.152 1.00 0.00 C ATOM 1407 CD2 PHE A 96 -3.827 -6.652 3.956 1.00 0.00 C ATOM 1408 CE1 PHE A 96 -5.116 -4.419 5.053 1.00 0.00 C ATOM 1409 CE2 PHE A 96 -3.240 -5.385 3.858 1.00 0.00 C ATOM 1410 CZ PHE A 96 -3.884 -4.270 4.407 1.00 0.00 C ATOM 0 H PHE A 96 -4.969 -8.098 7.147 1.00 0.00 H new ATOM 0 HA PHE A 96 -7.484 -7.563 5.705 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -4.898 -8.939 4.822 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -6.195 -8.426 3.761 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -6.655 -5.801 5.651 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -3.329 -7.511 3.532 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -5.613 -3.558 5.475 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -2.290 -5.268 3.359 1.00 0.00 H new ATOM 0 HZ PHE A 96 -3.429 -3.293 4.332 1.00 0.00 H new ATOM 1420 N ASP A 97 -8.544 -9.808 5.825 1.00 0.00 N ATOM 1421 CA ASP A 97 -9.186 -11.152 5.872 1.00 0.00 C ATOM 1422 C ASP A 97 -10.150 -11.274 4.690 1.00 0.00 C ATOM 1423 O ASP A 97 -11.211 -11.858 4.795 1.00 0.00 O ATOM 1424 CB ASP A 97 -9.965 -11.304 7.182 1.00 0.00 C ATOM 1425 CG ASP A 97 -9.071 -10.912 8.360 1.00 0.00 C ATOM 1426 OD1 ASP A 97 -8.575 -9.798 8.356 1.00 0.00 O ATOM 1427 OD2 ASP A 97 -8.902 -11.732 9.247 1.00 0.00 O ATOM 0 H ASP A 97 -9.189 -9.028 5.697 1.00 0.00 H new ATOM 0 HA ASP A 97 -8.424 -11.930 5.817 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -10.855 -10.675 7.163 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -10.305 -12.333 7.297 1.00 0.00 H new ATOM 1432 N TYR A 98 -9.793 -10.705 3.571 1.00 0.00 N ATOM 1433 CA TYR A 98 -10.689 -10.757 2.377 1.00 0.00 C ATOM 1434 C TYR A 98 -10.560 -12.109 1.640 1.00 0.00 C ATOM 1435 O TYR A 98 -9.902 -12.252 0.633 1.00 0.00 O ATOM 1436 CB TYR A 98 -10.358 -9.574 1.445 1.00 0.00 C ATOM 1437 CG TYR A 98 -9.063 -9.796 0.681 1.00 0.00 C ATOM 1438 CD1 TYR A 98 -8.098 -10.702 1.144 1.00 0.00 C ATOM 1439 CD2 TYR A 98 -8.838 -9.090 -0.502 1.00 0.00 C ATOM 1440 CE1 TYR A 98 -6.921 -10.902 0.424 1.00 0.00 C ATOM 1441 CE2 TYR A 98 -7.655 -9.286 -1.222 1.00 0.00 C ATOM 1442 CZ TYR A 98 -6.696 -10.192 -0.759 1.00 0.00 C ATOM 1443 OH TYR A 98 -5.532 -10.387 -1.473 1.00 0.00 O ATOM 0 H TYR A 98 -8.916 -10.204 3.430 1.00 0.00 H new ATOM 0 HA TYR A 98 -11.726 -10.673 2.703 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -11.175 -9.429 0.739 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -10.280 -8.660 2.033 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -8.267 -11.247 2.061 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -9.579 -8.391 -0.862 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -6.183 -11.605 0.780 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -7.482 -8.737 -2.136 1.00 0.00 H new ATOM 0 HH TYR A 98 -5.436 -11.338 -1.689 1.00 0.00 H new ATOM 1453 N GLN A 99 -11.215 -13.105 2.126 1.00 0.00 N ATOM 1454 CA GLN A 99 -11.165 -14.445 1.460 1.00 0.00 C ATOM 1455 C GLN A 99 -9.795 -15.077 1.712 1.00 0.00 C ATOM 1456 O GLN A 99 -9.315 -15.873 0.927 1.00 0.00 O ATOM 1457 CB GLN A 99 -11.374 -14.331 -0.073 1.00 0.00 C ATOM 1458 CG GLN A 99 -12.233 -13.107 -0.474 1.00 0.00 C ATOM 1459 CD GLN A 99 -13.418 -12.941 0.484 1.00 0.00 C ATOM 1460 OE1 GLN A 99 -13.789 -11.836 0.824 1.00 0.00 O ATOM 1461 NE2 GLN A 99 -14.030 -14.003 0.934 1.00 0.00 N ATOM 0 H GLN A 99 -11.794 -13.063 2.965 1.00 0.00 H new ATOM 0 HA GLN A 99 -11.966 -15.056 1.877 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -10.403 -14.263 -0.563 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -11.853 -15.240 -0.438 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -11.620 -12.206 -0.462 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -12.598 -13.230 -1.494 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -13.718 -14.931 0.648 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -14.820 -13.905 1.571 1.00 0.00 H new ATOM 1470 N MET A 100 -9.157 -14.727 2.792 1.00 0.00 N ATOM 1471 CA MET A 100 -7.817 -15.306 3.084 1.00 0.00 C ATOM 1472 C MET A 100 -7.617 -15.373 4.594 1.00 0.00 C ATOM 1473 O MET A 100 -8.376 -14.809 5.357 1.00 0.00 O ATOM 1474 CB MET A 100 -6.735 -14.416 2.468 1.00 0.00 C ATOM 1475 CG MET A 100 -5.528 -15.273 2.075 1.00 0.00 C ATOM 1476 SD MET A 100 -4.164 -14.968 3.226 1.00 0.00 S ATOM 1477 CE MET A 100 -4.055 -13.177 2.987 1.00 0.00 C ATOM 0 H MET A 100 -9.505 -14.065 3.486 1.00 0.00 H new ATOM 0 HA MET A 100 -7.750 -16.308 2.660 1.00 0.00 H new ATOM 0 HB2 MET A 100 -7.129 -13.901 1.592 1.00 0.00 H new ATOM 0 HB3 MET A 100 -6.432 -13.648 3.180 1.00 0.00 H new ATOM 0 HG2 MET A 100 -5.799 -16.329 2.089 1.00 0.00 H new ATOM 0 HG3 MET A 100 -5.218 -15.037 1.057 1.00 0.00 H new ATOM 0 HE1 MET A 100 -3.008 -12.880 2.932 1.00 0.00 H new ATOM 0 HE2 MET A 100 -4.559 -12.902 2.061 1.00 0.00 H new ATOM 0 HE3 MET A 100 -4.532 -12.668 3.825 1.00 0.00 H new ATOM 1487 N THR A 101 -6.597 -16.055 5.036 1.00 0.00 N ATOM 1488 CA THR A 101 -6.352 -16.152 6.504 1.00 0.00 C ATOM 1489 C THR A 101 -6.334 -14.741 7.112 1.00 0.00 C ATOM 1490 O THR A 101 -6.348 -13.765 6.387 1.00 0.00 O ATOM 1491 CB THR A 101 -5.003 -16.836 6.762 1.00 0.00 C ATOM 1492 OG1 THR A 101 -4.240 -16.862 5.564 1.00 0.00 O ATOM 1493 CG2 THR A 101 -5.242 -18.266 7.246 1.00 0.00 C ATOM 0 H THR A 101 -5.925 -16.548 4.448 1.00 0.00 H new ATOM 0 HA THR A 101 -7.147 -16.740 6.964 1.00 0.00 H new ATOM 0 HB THR A 101 -4.457 -16.279 7.523 1.00 0.00 H new ATOM 0 HG1 THR A 101 -4.201 -15.961 5.181 1.00 0.00 H new ATOM 0 HG21 THR A 101 -4.284 -18.753 7.430 1.00 0.00 H new ATOM 0 HG22 THR A 101 -5.822 -18.246 8.169 1.00 0.00 H new ATOM 0 HG23 THR A 101 -5.791 -18.821 6.485 1.00 0.00 H new ATOM 1501 N PRO A 102 -6.309 -14.664 8.426 1.00 0.00 N ATOM 1502 CA PRO A 102 -6.292 -13.371 9.130 1.00 0.00 C ATOM 1503 C PRO A 102 -4.896 -12.747 9.067 1.00 0.00 C ATOM 1504 O PRO A 102 -4.130 -12.817 10.007 1.00 0.00 O ATOM 1505 CB PRO A 102 -6.674 -13.735 10.568 1.00 0.00 C ATOM 1506 CG PRO A 102 -6.344 -15.236 10.742 1.00 0.00 C ATOM 1507 CD PRO A 102 -6.294 -15.842 9.327 1.00 0.00 C ATOM 0 HA PRO A 102 -6.968 -12.636 8.694 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -6.117 -13.130 11.283 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -7.732 -13.547 10.748 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -5.390 -15.366 11.253 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -7.102 -15.731 11.349 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -5.396 -16.443 9.182 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -7.147 -16.495 9.143 1.00 0.00 H new ATOM 1515 N THR A 103 -4.563 -12.139 7.962 1.00 0.00 N ATOM 1516 CA THR A 103 -3.219 -11.513 7.831 1.00 0.00 C ATOM 1517 C THR A 103 -3.162 -10.240 8.677 1.00 0.00 C ATOM 1518 O THR A 103 -4.031 -9.398 8.614 1.00 0.00 O ATOM 1519 CB THR A 103 -2.959 -11.161 6.350 1.00 0.00 C ATOM 1520 OG1 THR A 103 -2.612 -12.344 5.644 1.00 0.00 O ATOM 1521 CG2 THR A 103 -1.813 -10.138 6.220 1.00 0.00 C ATOM 0 H THR A 103 -5.165 -12.049 7.144 1.00 0.00 H new ATOM 0 HA THR A 103 -2.458 -12.211 8.178 1.00 0.00 H new ATOM 0 HB THR A 103 -3.865 -10.722 5.932 1.00 0.00 H new ATOM 0 HG1 THR A 103 -1.665 -12.310 5.394 1.00 0.00 H new ATOM 0 HG21 THR A 103 -1.649 -9.907 5.167 1.00 0.00 H new ATOM 0 HG22 THR A 103 -2.077 -9.226 6.755 1.00 0.00 H new ATOM 0 HG23 THR A 103 -0.901 -10.557 6.645 1.00 0.00 H new ATOM 1529 N LYS A 104 -2.114 -10.078 9.427 1.00 0.00 N ATOM 1530 CA LYS A 104 -1.967 -8.838 10.225 1.00 0.00 C ATOM 1531 C LYS A 104 -0.897 -8.003 9.545 1.00 0.00 C ATOM 1532 O LYS A 104 0.022 -8.541 8.955 1.00 0.00 O ATOM 1533 CB LYS A 104 -1.508 -9.160 11.652 1.00 0.00 C ATOM 1534 CG LYS A 104 -2.690 -9.048 12.611 1.00 0.00 C ATOM 1535 CD LYS A 104 -3.211 -10.445 12.957 1.00 0.00 C ATOM 1536 CE LYS A 104 -3.688 -10.471 14.411 1.00 0.00 C ATOM 1537 NZ LYS A 104 -5.172 -10.604 14.446 1.00 0.00 N ATOM 0 H LYS A 104 -1.353 -10.751 9.522 1.00 0.00 H new ATOM 0 HA LYS A 104 -2.921 -8.314 10.284 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -1.090 -10.166 11.691 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -0.717 -8.474 11.953 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -2.385 -8.528 13.519 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -3.484 -8.456 12.156 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -4.030 -10.714 12.290 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -2.424 -11.184 12.809 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -3.225 -11.303 14.942 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -3.382 -9.558 14.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -5.496 -10.622 15.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -5.605 -9.796 13.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -5.453 -11.487 13.974 1.00 0.00 H new ATOM 1551 N VAL A 105 -0.981 -6.710 9.612 1.00 0.00 N ATOM 1552 CA VAL A 105 0.073 -5.896 8.960 1.00 0.00 C ATOM 1553 C VAL A 105 0.122 -4.500 9.567 1.00 0.00 C ATOM 1554 O VAL A 105 -0.894 -3.870 9.784 1.00 0.00 O ATOM 1555 CB VAL A 105 -0.216 -5.735 7.456 1.00 0.00 C ATOM 1556 CG1 VAL A 105 -0.355 -7.105 6.784 1.00 0.00 C ATOM 1557 CG2 VAL A 105 -1.514 -4.939 7.249 1.00 0.00 C ATOM 0 H VAL A 105 -1.720 -6.187 10.082 1.00 0.00 H new ATOM 0 HA VAL A 105 1.021 -6.413 9.111 1.00 0.00 H new ATOM 0 HB VAL A 105 0.619 -5.198 7.006 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -0.559 -6.970 5.722 1.00 0.00 H new ATOM 0 HG12 VAL A 105 0.571 -7.666 6.907 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -1.176 -7.654 7.244 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -1.708 -4.831 6.182 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -2.344 -5.468 7.717 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -1.412 -3.952 7.701 1.00 0.00 H new ATOM 1567 N LYS A 106 1.293 -3.976 9.750 1.00 0.00 N ATOM 1568 CA LYS A 106 1.400 -2.582 10.233 1.00 0.00 C ATOM 1569 C LYS A 106 1.361 -1.765 8.954 1.00 0.00 C ATOM 1570 O LYS A 106 2.025 -2.105 8.008 1.00 0.00 O ATOM 1571 CB LYS A 106 2.722 -2.360 10.985 1.00 0.00 C ATOM 1572 CG LYS A 106 3.899 -2.838 10.130 1.00 0.00 C ATOM 1573 CD LYS A 106 4.495 -4.110 10.735 1.00 0.00 C ATOM 1574 CE LYS A 106 6.013 -3.963 10.846 1.00 0.00 C ATOM 1575 NZ LYS A 106 6.560 -5.062 11.692 1.00 0.00 N ATOM 0 H LYS A 106 2.180 -4.452 9.586 1.00 0.00 H new ATOM 0 HA LYS A 106 0.612 -2.313 10.936 1.00 0.00 H new ATOM 0 HB2 LYS A 106 2.841 -1.303 11.223 1.00 0.00 H new ATOM 0 HB3 LYS A 106 2.706 -2.900 11.931 1.00 0.00 H new ATOM 0 HG2 LYS A 106 3.565 -3.031 9.110 1.00 0.00 H new ATOM 0 HG3 LYS A 106 4.660 -2.060 10.074 1.00 0.00 H new ATOM 0 HD2 LYS A 106 4.064 -4.293 11.719 1.00 0.00 H new ATOM 0 HD3 LYS A 106 4.247 -4.971 10.114 1.00 0.00 H new ATOM 0 HE2 LYS A 106 6.465 -3.994 9.855 1.00 0.00 H new ATOM 0 HE3 LYS A 106 6.264 -2.996 11.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 7.592 -4.961 11.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 6.137 -5.013 12.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 6.332 -5.980 11.259 1.00 0.00 H new ATOM 1589 N VAL A 107 0.556 -0.754 8.864 1.00 0.00 N ATOM 1590 CA VAL A 107 0.481 -0.017 7.569 1.00 0.00 C ATOM 1591 C VAL A 107 1.220 1.315 7.668 1.00 0.00 C ATOM 1592 O VAL A 107 1.401 1.867 8.736 1.00 0.00 O ATOM 1593 CB VAL A 107 -1.011 0.209 7.151 1.00 0.00 C ATOM 1594 CG1 VAL A 107 -1.907 -0.858 7.772 1.00 0.00 C ATOM 1595 CG2 VAL A 107 -1.539 1.606 7.563 1.00 0.00 C ATOM 0 H VAL A 107 -0.045 -0.406 9.611 1.00 0.00 H new ATOM 0 HA VAL A 107 0.964 -0.621 6.800 1.00 0.00 H new ATOM 0 HB VAL A 107 -1.040 0.142 6.063 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -2.940 -0.686 7.471 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -1.589 -1.843 7.431 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -1.832 -0.809 8.858 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -2.578 1.710 7.249 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -1.475 1.715 8.646 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -0.937 2.378 7.084 1.00 0.00 H new ATOM 1605 N HIS A 108 1.573 1.854 6.541 1.00 0.00 N ATOM 1606 CA HIS A 108 2.239 3.186 6.505 1.00 0.00 C ATOM 1607 C HIS A 108 1.995 3.775 5.120 1.00 0.00 C ATOM 1608 O HIS A 108 2.612 3.376 4.166 1.00 0.00 O ATOM 1609 CB HIS A 108 3.741 3.037 6.752 1.00 0.00 C ATOM 1610 CG HIS A 108 4.296 4.359 7.204 1.00 0.00 C ATOM 1611 ND1 HIS A 108 5.592 4.496 7.679 1.00 0.00 N ATOM 1612 CD2 HIS A 108 3.740 5.614 7.262 1.00 0.00 C ATOM 1613 CE1 HIS A 108 5.771 5.791 7.999 1.00 0.00 C ATOM 1614 NE2 HIS A 108 4.674 6.517 7.764 1.00 0.00 N ATOM 0 H HIS A 108 1.428 1.424 5.627 1.00 0.00 H new ATOM 0 HA HIS A 108 1.836 3.836 7.281 1.00 0.00 H new ATOM 0 HB2 HIS A 108 3.924 2.273 7.508 1.00 0.00 H new ATOM 0 HB3 HIS A 108 4.242 2.710 5.841 1.00 0.00 H new ATOM 0 HD2 HIS A 108 2.732 5.862 6.964 1.00 0.00 H new ATOM 0 HE1 HIS A 108 6.690 6.195 8.398 1.00 0.00 H new ATOM 0 HE2 HIS A 108 4.548 7.517 7.919 1.00 0.00 H new ATOM 1622 N MET A 109 1.068 4.686 4.994 1.00 0.00 N ATOM 1623 CA MET A 109 0.748 5.257 3.643 1.00 0.00 C ATOM 1624 C MET A 109 1.057 6.760 3.618 1.00 0.00 C ATOM 1625 O MET A 109 0.942 7.432 4.624 1.00 0.00 O ATOM 1626 CB MET A 109 -0.757 5.059 3.324 1.00 0.00 C ATOM 1627 CG MET A 109 -1.429 4.080 4.311 1.00 0.00 C ATOM 1628 SD MET A 109 -2.143 5.010 5.688 1.00 0.00 S ATOM 1629 CE MET A 109 -3.779 5.258 4.955 1.00 0.00 C ATOM 0 H MET A 109 0.516 5.063 5.765 1.00 0.00 H new ATOM 0 HA MET A 109 1.357 4.741 2.901 1.00 0.00 H new ATOM 0 HB2 MET A 109 -1.267 6.022 3.364 1.00 0.00 H new ATOM 0 HB3 MET A 109 -0.866 4.682 2.307 1.00 0.00 H new ATOM 0 HG2 MET A 109 -2.206 3.509 3.802 1.00 0.00 H new ATOM 0 HG3 MET A 109 -0.698 3.362 4.683 1.00 0.00 H new ATOM 0 HE1 MET A 109 -4.376 5.898 5.605 1.00 0.00 H new ATOM 0 HE2 MET A 109 -3.672 5.731 3.979 1.00 0.00 H new ATOM 0 HE3 MET A 109 -4.276 4.295 4.839 1.00 0.00 H new ATOM 1639 N LYS A 110 1.440 7.309 2.483 1.00 0.00 N ATOM 1640 CA LYS A 110 1.730 8.776 2.451 1.00 0.00 C ATOM 1641 C LYS A 110 1.309 9.346 1.092 1.00 0.00 C ATOM 1642 O LYS A 110 0.775 8.644 0.262 1.00 0.00 O ATOM 1643 CB LYS A 110 3.229 8.997 2.663 1.00 0.00 C ATOM 1644 CG LYS A 110 3.474 10.228 3.536 1.00 0.00 C ATOM 1645 CD LYS A 110 4.980 10.436 3.697 1.00 0.00 C ATOM 1646 CE LYS A 110 5.288 11.931 3.761 1.00 0.00 C ATOM 1647 NZ LYS A 110 6.534 12.146 4.549 1.00 0.00 N ATOM 0 H LYS A 110 1.561 6.814 1.599 1.00 0.00 H new ATOM 0 HA LYS A 110 1.174 9.281 3.241 1.00 0.00 H new ATOM 0 HB2 LYS A 110 3.669 8.118 3.134 1.00 0.00 H new ATOM 0 HB3 LYS A 110 3.723 9.124 1.700 1.00 0.00 H new ATOM 0 HG2 LYS A 110 3.019 11.108 3.081 1.00 0.00 H new ATOM 0 HG3 LYS A 110 3.006 10.096 4.512 1.00 0.00 H new ATOM 0 HD2 LYS A 110 5.330 9.943 4.604 1.00 0.00 H new ATOM 0 HD3 LYS A 110 5.511 9.981 2.861 1.00 0.00 H new ATOM 0 HE2 LYS A 110 5.407 12.332 2.755 1.00 0.00 H new ATOM 0 HE3 LYS A 110 4.457 12.465 4.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 6.745 13.163 4.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 6.403 11.777 5.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 7.324 11.648 4.092 1.00 0.00 H new ATOM 1661 N LYS A 111 1.541 10.608 0.851 1.00 0.00 N ATOM 1662 CA LYS A 111 1.151 11.194 -0.462 1.00 0.00 C ATOM 1663 C LYS A 111 2.316 11.040 -1.438 1.00 0.00 C ATOM 1664 O LYS A 111 3.338 11.686 -1.313 1.00 0.00 O ATOM 1665 CB LYS A 111 0.809 12.677 -0.284 1.00 0.00 C ATOM 1666 CG LYS A 111 0.521 13.314 -1.646 1.00 0.00 C ATOM 1667 CD LYS A 111 -0.488 14.452 -1.473 1.00 0.00 C ATOM 1668 CE LYS A 111 0.216 15.795 -1.672 1.00 0.00 C ATOM 1669 NZ LYS A 111 1.356 15.914 -0.716 1.00 0.00 N ATOM 0 H LYS A 111 1.982 11.256 1.504 1.00 0.00 H new ATOM 0 HA LYS A 111 0.275 10.676 -0.854 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -0.059 12.783 0.367 1.00 0.00 H new ATOM 0 HB3 LYS A 111 1.637 13.194 0.201 1.00 0.00 H new ATOM 0 HG2 LYS A 111 1.444 13.695 -2.084 1.00 0.00 H new ATOM 0 HG3 LYS A 111 0.127 12.566 -2.334 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -1.299 14.345 -2.193 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -0.935 14.408 -0.480 1.00 0.00 H new ATOM 0 HE2 LYS A 111 0.578 15.878 -2.697 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -0.488 16.612 -1.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 1.280 16.811 -0.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 1.330 15.121 -0.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 2.253 15.893 -1.241 1.00 0.00 H new ATOM 1683 N ALA A 112 2.172 10.180 -2.405 1.00 0.00 N ATOM 1684 CA ALA A 112 3.267 9.968 -3.387 1.00 0.00 C ATOM 1685 C ALA A 112 3.564 11.274 -4.124 1.00 0.00 C ATOM 1686 O ALA A 112 2.670 11.994 -4.519 1.00 0.00 O ATOM 1687 CB ALA A 112 2.840 8.900 -4.389 1.00 0.00 C ATOM 0 H ALA A 112 1.338 9.612 -2.558 1.00 0.00 H new ATOM 0 HA ALA A 112 4.167 9.643 -2.864 1.00 0.00 H new ATOM 0 HB1 ALA A 112 3.639 8.740 -5.113 1.00 0.00 H new ATOM 0 HB2 ALA A 112 2.635 7.968 -3.862 1.00 0.00 H new ATOM 0 HB3 ALA A 112 1.940 9.228 -4.909 1.00 0.00 H new ATOM 1693 N LEU A 113 4.816 11.581 -4.316 1.00 0.00 N ATOM 1694 CA LEU A 113 5.172 12.839 -5.032 1.00 0.00 C ATOM 1695 C LEU A 113 4.825 12.710 -6.520 1.00 0.00 C ATOM 1696 O LEU A 113 4.879 13.672 -7.261 1.00 0.00 O ATOM 1697 CB LEU A 113 6.671 13.104 -4.880 1.00 0.00 C ATOM 1698 CG LEU A 113 6.899 14.111 -3.752 1.00 0.00 C ATOM 1699 CD1 LEU A 113 6.353 13.541 -2.441 1.00 0.00 C ATOM 1700 CD2 LEU A 113 8.399 14.380 -3.605 1.00 0.00 C ATOM 0 H LEU A 113 5.608 11.017 -4.009 1.00 0.00 H new ATOM 0 HA LEU A 113 4.607 13.667 -4.603 1.00 0.00 H new ATOM 0 HB2 LEU A 113 7.195 12.173 -4.663 1.00 0.00 H new ATOM 0 HB3 LEU A 113 7.080 13.489 -5.814 1.00 0.00 H new ATOM 0 HG LEU A 113 6.383 15.042 -3.986 1.00 0.00 H new ATOM 0 HD11 LEU A 113 6.515 14.259 -1.637 1.00 0.00 H new ATOM 0 HD12 LEU A 113 5.285 13.348 -2.545 1.00 0.00 H new ATOM 0 HD13 LEU A 113 6.869 12.610 -2.206 1.00 0.00 H new ATOM 0 HD21 LEU A 113 8.563 15.098 -2.801 1.00 0.00 H new ATOM 0 HD22 LEU A 113 8.914 13.449 -3.371 1.00 0.00 H new ATOM 0 HD23 LEU A 113 8.789 14.785 -4.539 1.00 0.00 H new ATOM 1742 N SER A 117 -0.714 11.716 -5.525 1.00 0.00 N ATOM 1743 CA SER A 117 -0.956 10.248 -5.450 1.00 0.00 C ATOM 1744 C SER A 117 -1.105 9.820 -3.986 1.00 0.00 C ATOM 1745 O SER A 117 -1.117 10.639 -3.087 1.00 0.00 O ATOM 1746 CB SER A 117 0.216 9.506 -6.090 1.00 0.00 C ATOM 1747 OG SER A 117 -0.196 8.962 -7.337 1.00 0.00 O ATOM 0 HA SER A 117 -1.874 10.005 -5.986 1.00 0.00 H new ATOM 0 HB2 SER A 117 1.055 10.186 -6.236 1.00 0.00 H new ATOM 0 HB3 SER A 117 0.562 8.711 -5.430 1.00 0.00 H new ATOM 0 HG SER A 117 0.567 8.528 -7.773 1.00 0.00 H new ATOM 1753 N TYR A 118 -1.237 8.544 -3.743 1.00 0.00 N ATOM 1754 CA TYR A 118 -1.408 8.050 -2.342 1.00 0.00 C ATOM 1755 C TYR A 118 -0.902 6.610 -2.260 1.00 0.00 C ATOM 1756 O TYR A 118 -1.519 5.710 -2.797 1.00 0.00 O ATOM 1757 CB TYR A 118 -2.901 8.066 -1.992 1.00 0.00 C ATOM 1758 CG TYR A 118 -3.504 9.372 -2.401 1.00 0.00 C ATOM 1759 CD1 TYR A 118 -3.340 10.506 -1.606 1.00 0.00 C ATOM 1760 CD2 TYR A 118 -4.233 9.439 -3.587 1.00 0.00 C ATOM 1761 CE1 TYR A 118 -3.910 11.716 -2.002 1.00 0.00 C ATOM 1762 CE2 TYR A 118 -4.804 10.642 -3.983 1.00 0.00 C ATOM 1763 CZ TYR A 118 -4.645 11.787 -3.193 1.00 0.00 C ATOM 1764 OH TYR A 118 -5.212 12.982 -3.585 1.00 0.00 O ATOM 0 H TYR A 118 -1.234 7.816 -4.458 1.00 0.00 H new ATOM 0 HA TYR A 118 -0.851 8.684 -1.652 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -3.411 7.246 -2.497 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -3.034 7.913 -0.921 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -2.774 10.448 -0.688 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -4.354 8.556 -4.198 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -3.785 12.598 -1.391 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -5.371 10.694 -4.901 1.00 0.00 H new ATOM 0 HH TYR A 118 -5.686 12.856 -4.434 1.00 0.00 H new ATOM 1774 N TRP A 119 0.207 6.368 -1.609 1.00 0.00 N ATOM 1775 CA TRP A 119 0.698 4.969 -1.535 1.00 0.00 C ATOM 1776 C TRP A 119 0.539 4.384 -0.138 1.00 0.00 C ATOM 1777 O TRP A 119 0.682 5.053 0.854 1.00 0.00 O ATOM 1778 CB TRP A 119 2.144 4.861 -2.036 1.00 0.00 C ATOM 1779 CG TRP A 119 3.055 5.862 -1.415 1.00 0.00 C ATOM 1780 CD1 TRP A 119 3.619 6.899 -2.051 1.00 0.00 C ATOM 1781 CD2 TRP A 119 3.572 5.881 -0.079 1.00 0.00 C ATOM 1782 NE1 TRP A 119 4.450 7.571 -1.175 1.00 0.00 N ATOM 1783 CE2 TRP A 119 4.455 6.970 0.066 1.00 0.00 C ATOM 1784 CE3 TRP A 119 3.346 5.058 1.003 1.00 0.00 C ATOM 1785 CZ2 TRP A 119 5.104 7.222 1.272 1.00 0.00 C ATOM 1786 CZ3 TRP A 119 3.993 5.294 2.225 1.00 0.00 C ATOM 1787 CH2 TRP A 119 4.874 6.374 2.358 1.00 0.00 C ATOM 0 H TRP A 119 0.781 7.066 -1.136 1.00 0.00 H new ATOM 0 HA TRP A 119 0.075 4.370 -2.199 1.00 0.00 H new ATOM 0 HB2 TRP A 119 2.520 3.859 -1.829 1.00 0.00 H new ATOM 0 HB3 TRP A 119 2.157 4.989 -3.118 1.00 0.00 H new ATOM 0 HD1 TRP A 119 3.451 7.167 -3.084 1.00 0.00 H new ATOM 0 HE1 TRP A 119 4.989 8.403 -1.415 1.00 0.00 H new ATOM 0 HE3 TRP A 119 2.665 4.225 0.909 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 5.776 8.062 1.366 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 3.811 4.641 3.066 1.00 0.00 H new ATOM 0 HH2 TRP A 119 5.375 6.551 3.298 1.00 0.00 H new ATOM 1798 N VAL A 120 0.217 3.117 -0.075 1.00 0.00 N ATOM 1799 CA VAL A 120 0.026 2.443 1.233 1.00 0.00 C ATOM 1800 C VAL A 120 0.971 1.248 1.326 1.00 0.00 C ATOM 1801 O VAL A 120 0.753 0.218 0.720 1.00 0.00 O ATOM 1802 CB VAL A 120 -1.409 1.942 1.355 1.00 0.00 C ATOM 1803 CG1 VAL A 120 -1.638 1.442 2.781 1.00 0.00 C ATOM 1804 CG2 VAL A 120 -2.385 3.079 1.037 1.00 0.00 C ATOM 0 H VAL A 120 0.078 2.518 -0.889 1.00 0.00 H new ATOM 0 HA VAL A 120 0.235 3.153 2.033 1.00 0.00 H new ATOM 0 HB VAL A 120 -1.578 1.129 0.649 1.00 0.00 H new ATOM 0 HG11 VAL A 120 -2.662 1.081 2.880 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -0.944 0.630 2.998 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -1.472 2.258 3.484 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -3.409 2.715 1.126 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -2.229 3.899 1.738 1.00 0.00 H new ATOM 0 HG23 VAL A 120 -2.213 3.433 0.021 1.00 0.00 H new ATOM 1814 N PHE A 121 2.014 1.382 2.082 1.00 0.00 N ATOM 1815 CA PHE A 121 2.979 0.263 2.227 1.00 0.00 C ATOM 1816 C PHE A 121 2.503 -0.674 3.328 1.00 0.00 C ATOM 1817 O PHE A 121 2.465 -0.302 4.482 1.00 0.00 O ATOM 1818 CB PHE A 121 4.362 0.801 2.617 1.00 0.00 C ATOM 1819 CG PHE A 121 4.814 1.885 1.661 1.00 0.00 C ATOM 1820 CD1 PHE A 121 4.263 1.985 0.377 1.00 0.00 C ATOM 1821 CD2 PHE A 121 5.803 2.787 2.066 1.00 0.00 C ATOM 1822 CE1 PHE A 121 4.698 2.984 -0.498 1.00 0.00 C ATOM 1823 CE2 PHE A 121 6.236 3.790 1.193 1.00 0.00 C ATOM 1824 CZ PHE A 121 5.683 3.887 -0.089 1.00 0.00 C ATOM 0 H PHE A 121 2.244 2.223 2.611 1.00 0.00 H new ATOM 0 HA PHE A 121 3.045 -0.265 1.276 1.00 0.00 H new ATOM 0 HB2 PHE A 121 4.329 1.197 3.632 1.00 0.00 H new ATOM 0 HB3 PHE A 121 5.086 -0.014 2.617 1.00 0.00 H new ATOM 0 HD1 PHE A 121 3.500 1.288 0.062 1.00 0.00 H new ATOM 0 HD2 PHE A 121 6.233 2.709 3.054 1.00 0.00 H new ATOM 0 HE1 PHE A 121 4.274 3.058 -1.488 1.00 0.00 H new ATOM 0 HE2 PHE A 121 6.997 4.489 1.508 1.00 0.00 H new ATOM 0 HZ PHE A 121 6.018 4.661 -0.763 1.00 0.00 H new ATOM 1834 N VAL A 122 2.148 -1.883 2.999 1.00 0.00 N ATOM 1835 CA VAL A 122 1.691 -2.815 4.058 1.00 0.00 C ATOM 1836 C VAL A 122 2.851 -3.723 4.464 1.00 0.00 C ATOM 1837 O VAL A 122 3.325 -4.529 3.693 1.00 0.00 O ATOM 1838 CB VAL A 122 0.486 -3.637 3.545 1.00 0.00 C ATOM 1839 CG1 VAL A 122 0.523 -5.088 4.054 1.00 0.00 C ATOM 1840 CG2 VAL A 122 -0.795 -2.984 4.052 1.00 0.00 C ATOM 0 H VAL A 122 2.155 -2.261 2.052 1.00 0.00 H new ATOM 0 HA VAL A 122 1.367 -2.256 4.936 1.00 0.00 H new ATOM 0 HB VAL A 122 0.526 -3.655 2.456 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -0.341 -5.630 3.670 1.00 0.00 H new ATOM 0 HG12 VAL A 122 1.437 -5.571 3.709 1.00 0.00 H new ATOM 0 HG13 VAL A 122 0.499 -5.092 5.144 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -1.657 -3.551 3.699 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -0.790 -2.971 5.142 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -0.855 -1.962 3.678 1.00 0.00 H new ATOM 1850 N LYS A 123 3.277 -3.609 5.682 1.00 0.00 N ATOM 1851 CA LYS A 123 4.383 -4.475 6.175 1.00 0.00 C ATOM 1852 C LYS A 123 3.775 -5.637 6.955 1.00 0.00 C ATOM 1853 O LYS A 123 3.006 -5.432 7.866 1.00 0.00 O ATOM 1854 CB LYS A 123 5.293 -3.669 7.104 1.00 0.00 C ATOM 1855 CG LYS A 123 6.723 -4.204 7.017 1.00 0.00 C ATOM 1856 CD LYS A 123 7.705 -3.032 6.954 1.00 0.00 C ATOM 1857 CE LYS A 123 9.133 -3.549 7.139 1.00 0.00 C ATOM 1858 NZ LYS A 123 9.175 -4.509 8.279 1.00 0.00 N ATOM 0 H LYS A 123 2.907 -2.949 6.366 1.00 0.00 H new ATOM 0 HA LYS A 123 4.968 -4.846 5.333 1.00 0.00 H new ATOM 0 HB2 LYS A 123 5.271 -2.615 6.826 1.00 0.00 H new ATOM 0 HB3 LYS A 123 4.932 -3.735 8.130 1.00 0.00 H new ATOM 0 HG2 LYS A 123 6.942 -4.829 7.883 1.00 0.00 H new ATOM 0 HG3 LYS A 123 6.834 -4.833 6.134 1.00 0.00 H new ATOM 0 HD2 LYS A 123 7.614 -2.519 5.996 1.00 0.00 H new ATOM 0 HD3 LYS A 123 7.468 -2.303 7.729 1.00 0.00 H new ATOM 0 HE2 LYS A 123 9.474 -4.038 6.226 1.00 0.00 H new ATOM 0 HE3 LYS A 123 9.810 -2.716 7.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 10.150 -4.585 8.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 8.555 -4.169 9.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 8.849 -5.443 7.958 1.00 0.00 H new ATOM 1872 N ARG A 124 4.094 -6.857 6.617 1.00 0.00 N ATOM 1873 CA ARG A 124 3.496 -7.996 7.376 1.00 0.00 C ATOM 1874 C ARG A 124 3.969 -7.935 8.833 1.00 0.00 C ATOM 1875 O ARG A 124 5.087 -7.552 9.118 1.00 0.00 O ATOM 1876 CB ARG A 124 3.917 -9.328 6.743 1.00 0.00 C ATOM 1877 CG ARG A 124 3.389 -10.491 7.589 1.00 0.00 C ATOM 1878 CD ARG A 124 2.706 -11.523 6.688 1.00 0.00 C ATOM 1879 NE ARG A 124 2.220 -12.661 7.519 1.00 0.00 N ATOM 1880 CZ ARG A 124 2.886 -13.785 7.546 1.00 0.00 C ATOM 1881 NH1 ARG A 124 4.170 -13.790 7.310 1.00 0.00 N ATOM 1882 NH2 ARG A 124 2.267 -14.904 7.810 1.00 0.00 N ATOM 0 H ARG A 124 4.731 -7.113 5.863 1.00 0.00 H new ATOM 0 HA ARG A 124 2.409 -7.923 7.343 1.00 0.00 H new ATOM 0 HB2 ARG A 124 3.528 -9.398 5.727 1.00 0.00 H new ATOM 0 HB3 ARG A 124 5.003 -9.381 6.672 1.00 0.00 H new ATOM 0 HG2 ARG A 124 4.210 -10.958 8.134 1.00 0.00 H new ATOM 0 HG3 ARG A 124 2.683 -10.120 8.332 1.00 0.00 H new ATOM 0 HD2 ARG A 124 1.872 -11.064 6.157 1.00 0.00 H new ATOM 0 HD3 ARG A 124 3.405 -11.882 5.933 1.00 0.00 H new ATOM 0 HE ARG A 124 1.366 -12.562 8.068 1.00 0.00 H new ATOM 0 HH11 ARG A 124 4.654 -12.916 7.104 1.00 0.00 H new ATOM 0 HH12 ARG A 124 4.689 -14.668 7.331 1.00 0.00 H new ATOM 0 HH21 ARG A 124 1.264 -14.901 7.995 1.00 0.00 H new ATOM 0 HH22 ARG A 124 2.787 -15.782 7.831 1.00 0.00 H new ATOM 1896 N VAL A 125 3.120 -8.303 9.757 1.00 0.00 N ATOM 1897 CA VAL A 125 3.512 -8.262 11.196 1.00 0.00 C ATOM 1898 C VAL A 125 4.366 -9.486 11.530 1.00 0.00 C ATOM 1899 O VAL A 125 4.939 -10.050 10.612 1.00 0.00 O ATOM 1900 CB VAL A 125 2.244 -8.287 12.048 1.00 0.00 C ATOM 1901 CG1 VAL A 125 1.459 -6.992 11.841 1.00 0.00 C ATOM 1902 CG2 VAL A 125 1.395 -9.475 11.616 1.00 0.00 C ATOM 1903 OXT VAL A 125 4.432 -9.838 12.696 1.00 0.00 O ATOM 0 H VAL A 125 2.171 -8.630 9.576 1.00 0.00 H new ATOM 0 HA VAL A 125 4.085 -7.357 11.398 1.00 0.00 H new ATOM 0 HB VAL A 125 2.504 -8.377 13.103 1.00 0.00 H new ATOM 0 HG11 VAL A 125 0.555 -7.013 12.450 1.00 0.00 H new ATOM 0 HG12 VAL A 125 2.075 -6.142 12.135 1.00 0.00 H new ATOM 0 HG13 VAL A 125 1.186 -6.896 10.790 1.00 0.00 H new ATOM 0 HG21 VAL A 125 0.485 -9.508 12.215 1.00 0.00 H new ATOM 0 HG22 VAL A 125 1.133 -9.371 10.563 1.00 0.00 H new ATOM 0 HG23 VAL A 125 1.958 -10.397 11.761 1.00 0.00 H new