USER MOD reduce.3.24.130724 H: found=0, std=0, add=536, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 538 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 Single : A 7 THR OG1 : rot -19:sc= 0.873 USER MOD Single : A 9 CYS SG : rot 32:sc= 0.14 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 14 ASN : amide:sc= -0.422 X(o=-0.42,f=-0.063) USER MOD Single : A 32 ASN : amide:sc= 0 K(o=0,f=-3.6!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= -0.2 USER MOD Single : A 41 GLN : amide:sc= -11.7! C(o=-12!,f=-21!) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 THR OG1 : rot 31:sc= 0.826 USER MOD Single : A 90 ASN : amide:sc= -0.0781 K(o=-0.078,f=-1.7!) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0.021 USER MOD Single : A 93 THR OG1 : rot 180:sc= -0.639 USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 LYS NZ :NH3+ 153:sc= -1.92! (180deg=-3.4!) USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 102 THR OG1 : rot -81:sc= 0.367 USER MOD Single : A 107 THR OG1 : rot -45:sc= 0.683 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 113 THR OG1 : rot 180:sc= 0.245! USER MOD Single : A 114 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.31) USER MOD ----------------------------------------------------------------- ATOM 90 N THR A 7 17.228 1.653 12.839 1.00 0.00 N ATOM 91 CA THR A 7 16.619 1.978 11.553 1.00 0.00 C ATOM 92 C THR A 7 16.587 0.752 10.648 1.00 0.00 C ATOM 93 O THR A 7 17.533 -0.036 10.624 1.00 0.00 O ATOM 94 CB THR A 7 17.386 3.115 10.878 1.00 0.00 C ATOM 95 OG1 THR A 7 18.534 3.469 11.630 1.00 0.00 O ATOM 96 CG2 THR A 7 16.549 4.357 10.704 1.00 0.00 C ATOM 0 HA THR A 7 15.593 2.302 11.729 1.00 0.00 H new ATOM 0 HB THR A 7 17.669 2.737 9.896 1.00 0.00 H new ATOM 0 HG1 THR A 7 18.440 3.136 12.547 1.00 0.00 H new ATOM 0 HG21 THR A 7 17.144 5.132 10.220 1.00 0.00 H new ATOM 0 HG22 THR A 7 15.681 4.127 10.086 1.00 0.00 H new ATOM 0 HG23 THR A 7 16.217 4.711 11.680 1.00 0.00 H new ATOM 104 N PHE A 8 15.492 0.586 9.912 1.00 0.00 N ATOM 105 CA PHE A 8 15.347 -0.560 9.019 1.00 0.00 C ATOM 106 C PHE A 8 14.585 -0.215 7.745 1.00 0.00 C ATOM 107 O PHE A 8 13.639 0.569 7.759 1.00 0.00 O ATOM 108 CB PHE A 8 14.625 -1.709 9.730 1.00 0.00 C ATOM 109 CG PHE A 8 13.541 -1.273 10.681 1.00 0.00 C ATOM 110 CD1 PHE A 8 12.814 -0.107 10.463 1.00 0.00 C ATOM 111 CD2 PHE A 8 13.251 -2.036 11.799 1.00 0.00 C ATOM 112 CE1 PHE A 8 11.825 0.281 11.346 1.00 0.00 C ATOM 113 CE2 PHE A 8 12.261 -1.652 12.683 1.00 0.00 C ATOM 114 CZ PHE A 8 11.548 -0.492 12.457 1.00 0.00 C ATOM 0 H PHE A 8 14.697 1.225 9.915 1.00 0.00 H new ATOM 0 HA PHE A 8 16.357 -0.863 8.741 1.00 0.00 H new ATOM 0 HB2 PHE A 8 14.188 -2.367 8.979 1.00 0.00 H new ATOM 0 HB3 PHE A 8 15.359 -2.297 10.281 1.00 0.00 H new ATOM 0 HD1 PHE A 8 13.025 0.500 9.595 1.00 0.00 H new ATOM 0 HD2 PHE A 8 13.806 -2.944 11.983 1.00 0.00 H new ATOM 0 HE1 PHE A 8 11.268 1.189 11.168 1.00 0.00 H new ATOM 0 HE2 PHE A 8 12.045 -2.259 13.550 1.00 0.00 H new ATOM 0 HZ PHE A 8 10.775 -0.189 13.148 1.00 0.00 H new ATOM 124 N CYS A 9 14.982 -0.847 6.650 1.00 0.00 N ATOM 125 CA CYS A 9 14.310 -0.650 5.376 1.00 0.00 C ATOM 126 C CYS A 9 13.233 -1.720 5.226 1.00 0.00 C ATOM 127 O CYS A 9 13.510 -2.911 5.377 1.00 0.00 O ATOM 128 CB CYS A 9 15.307 -0.730 4.218 1.00 0.00 C ATOM 129 SG CYS A 9 16.310 -2.235 4.210 1.00 0.00 S ATOM 0 H CYS A 9 15.765 -1.500 6.619 1.00 0.00 H new ATOM 0 HA CYS A 9 13.856 0.341 5.352 1.00 0.00 H new ATOM 0 HB2 CYS A 9 14.761 -0.665 3.277 1.00 0.00 H new ATOM 0 HB3 CYS A 9 15.969 0.135 4.262 1.00 0.00 H new ATOM 0 HG CYS A 9 15.623 -3.217 4.714 1.00 0.00 H new ATOM 135 N VAL A 10 12.005 -1.301 4.961 1.00 0.00 N ATOM 136 CA VAL A 10 10.894 -2.239 4.830 1.00 0.00 C ATOM 137 C VAL A 10 10.415 -2.336 3.391 1.00 0.00 C ATOM 138 O VAL A 10 10.563 -1.402 2.614 1.00 0.00 O ATOM 139 CB VAL A 10 9.714 -1.828 5.745 1.00 0.00 C ATOM 140 CG1 VAL A 10 8.523 -1.297 4.951 1.00 0.00 C ATOM 141 CG2 VAL A 10 9.294 -2.995 6.620 1.00 0.00 C ATOM 0 H VAL A 10 11.750 -0.322 4.832 1.00 0.00 H new ATOM 0 HA VAL A 10 11.261 -3.218 5.139 1.00 0.00 H new ATOM 0 HB VAL A 10 10.064 -1.013 6.379 1.00 0.00 H new ATOM 0 HG11 VAL A 10 7.722 -1.022 5.637 1.00 0.00 H new ATOM 0 HG12 VAL A 10 8.828 -0.420 4.380 1.00 0.00 H new ATOM 0 HG13 VAL A 10 8.168 -2.069 4.268 1.00 0.00 H new ATOM 0 HG21 VAL A 10 8.464 -2.691 7.258 1.00 0.00 H new ATOM 0 HG22 VAL A 10 8.982 -3.828 5.990 1.00 0.00 H new ATOM 0 HG23 VAL A 10 10.134 -3.305 7.241 1.00 0.00 H new ATOM 151 N VAL A 11 9.836 -3.471 3.043 1.00 0.00 N ATOM 152 CA VAL A 11 9.341 -3.673 1.696 1.00 0.00 C ATOM 153 C VAL A 11 7.989 -4.379 1.694 1.00 0.00 C ATOM 154 O VAL A 11 7.824 -5.439 2.299 1.00 0.00 O ATOM 155 CB VAL A 11 10.361 -4.458 0.863 1.00 0.00 C ATOM 156 CG1 VAL A 11 10.787 -5.716 1.595 1.00 0.00 C ATOM 157 CG2 VAL A 11 9.817 -4.780 -0.524 1.00 0.00 C ATOM 0 H VAL A 11 9.698 -4.262 3.672 1.00 0.00 H new ATOM 0 HA VAL A 11 9.199 -2.691 1.244 1.00 0.00 H new ATOM 0 HB VAL A 11 11.241 -3.830 0.725 1.00 0.00 H new ATOM 0 HG11 VAL A 11 11.511 -6.262 0.990 1.00 0.00 H new ATOM 0 HG12 VAL A 11 11.241 -5.446 2.549 1.00 0.00 H new ATOM 0 HG13 VAL A 11 9.916 -6.346 1.773 1.00 0.00 H new ATOM 0 HG21 VAL A 11 10.565 -5.337 -1.088 1.00 0.00 H new ATOM 0 HG22 VAL A 11 8.912 -5.381 -0.430 1.00 0.00 H new ATOM 0 HG23 VAL A 11 9.584 -3.853 -1.048 1.00 0.00 H new ATOM 167 N VAL A 12 7.025 -3.772 1.010 1.00 0.00 N ATOM 168 CA VAL A 12 5.677 -4.321 0.922 1.00 0.00 C ATOM 169 C VAL A 12 5.495 -5.138 -0.349 1.00 0.00 C ATOM 170 O VAL A 12 5.344 -4.584 -1.437 1.00 0.00 O ATOM 171 CB VAL A 12 4.626 -3.196 0.942 1.00 0.00 C ATOM 172 CG1 VAL A 12 4.506 -2.610 2.335 1.00 0.00 C ATOM 173 CG2 VAL A 12 4.981 -2.113 -0.065 1.00 0.00 C ATOM 0 H VAL A 12 7.154 -2.895 0.506 1.00 0.00 H new ATOM 0 HA VAL A 12 5.538 -4.969 1.787 1.00 0.00 H new ATOM 0 HB VAL A 12 3.662 -3.620 0.661 1.00 0.00 H new ATOM 0 HG11 VAL A 12 3.759 -1.816 2.333 1.00 0.00 H new ATOM 0 HG12 VAL A 12 4.204 -3.390 3.033 1.00 0.00 H new ATOM 0 HG13 VAL A 12 5.469 -2.202 2.642 1.00 0.00 H new ATOM 0 HG21 VAL A 12 4.226 -1.327 -0.036 1.00 0.00 H new ATOM 0 HG22 VAL A 12 5.955 -1.690 0.183 1.00 0.00 H new ATOM 0 HG23 VAL A 12 5.017 -2.544 -1.065 1.00 0.00 H new ATOM 183 N GLN A 13 5.493 -6.457 -0.204 1.00 0.00 N ATOM 184 CA GLN A 13 5.315 -7.347 -1.344 1.00 0.00 C ATOM 185 C GLN A 13 3.874 -7.834 -1.417 1.00 0.00 C ATOM 186 O GLN A 13 3.446 -8.665 -0.617 1.00 0.00 O ATOM 187 CB GLN A 13 6.268 -8.540 -1.248 1.00 0.00 C ATOM 188 CG GLN A 13 6.564 -9.190 -2.590 1.00 0.00 C ATOM 189 CD GLN A 13 7.654 -10.240 -2.500 1.00 0.00 C ATOM 190 OE1 GLN A 13 7.704 -11.019 -1.548 1.00 0.00 O ATOM 191 NE2 GLN A 13 8.535 -10.266 -3.492 1.00 0.00 N ATOM 0 H GLN A 13 5.612 -6.933 0.690 1.00 0.00 H new ATOM 0 HA GLN A 13 5.544 -6.790 -2.252 1.00 0.00 H new ATOM 0 HB2 GLN A 13 7.205 -8.211 -0.798 1.00 0.00 H new ATOM 0 HB3 GLN A 13 5.838 -9.286 -0.579 1.00 0.00 H new ATOM 0 HG2 GLN A 13 5.654 -9.648 -2.976 1.00 0.00 H new ATOM 0 HG3 GLN A 13 6.862 -8.422 -3.304 1.00 0.00 H new ATOM 0 HE21 GLN A 13 8.456 -9.601 -4.262 1.00 0.00 H new ATOM 0 HE22 GLN A 13 9.291 -10.951 -3.485 1.00 0.00 H new ATOM 200 N ASN A 14 3.128 -7.305 -2.381 1.00 0.00 N ATOM 201 CA ASN A 14 1.731 -7.680 -2.556 1.00 0.00 C ATOM 202 C ASN A 14 1.467 -8.137 -3.990 1.00 0.00 C ATOM 203 O ASN A 14 1.924 -7.512 -4.947 1.00 0.00 O ATOM 204 CB ASN A 14 0.823 -6.498 -2.189 1.00 0.00 C ATOM 205 CG ASN A 14 -0.581 -6.634 -2.743 1.00 0.00 C ATOM 206 OD1 ASN A 14 -1.482 -7.135 -2.071 1.00 0.00 O ATOM 207 ND2 ASN A 14 -0.768 -6.182 -3.979 1.00 0.00 N ATOM 0 H ASN A 14 3.468 -6.616 -3.052 1.00 0.00 H new ATOM 0 HA ASN A 14 1.508 -8.515 -1.892 1.00 0.00 H new ATOM 0 HB2 ASN A 14 0.772 -6.410 -1.104 1.00 0.00 H new ATOM 0 HB3 ASN A 14 1.267 -5.576 -2.563 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -1.690 -6.243 -4.410 1.00 0.00 H new ATOM 0 HD22 ASN A 14 0.011 -5.775 -4.496 1.00 0.00 H new ATOM 482 N ASP A 31 6.520 -4.874 -5.250 1.00 0.00 N ATOM 483 CA ASP A 31 7.227 -4.643 -3.995 1.00 0.00 C ATOM 484 C ASP A 31 7.950 -3.300 -4.001 1.00 0.00 C ATOM 485 O ASP A 31 8.659 -2.968 -4.950 1.00 0.00 O ATOM 486 CB ASP A 31 8.229 -5.769 -3.733 1.00 0.00 C ATOM 487 CG ASP A 31 9.044 -6.118 -4.964 1.00 0.00 C ATOM 488 OD1 ASP A 31 8.446 -6.573 -5.961 1.00 0.00 O ATOM 489 OD2 ASP A 31 10.278 -5.937 -4.929 1.00 0.00 O ATOM 0 HA ASP A 31 6.485 -4.627 -3.197 1.00 0.00 H new ATOM 0 HB2 ASP A 31 8.901 -5.473 -2.928 1.00 0.00 H new ATOM 0 HB3 ASP A 31 7.694 -6.655 -3.392 1.00 0.00 H new ATOM 494 N ASN A 32 7.774 -2.536 -2.925 1.00 0.00 N ATOM 495 CA ASN A 32 8.419 -1.235 -2.794 1.00 0.00 C ATOM 496 C ASN A 32 9.276 -1.201 -1.534 1.00 0.00 C ATOM 497 O ASN A 32 8.834 -1.629 -0.471 1.00 0.00 O ATOM 498 CB ASN A 32 7.370 -0.122 -2.746 1.00 0.00 C ATOM 499 CG ASN A 32 7.914 1.210 -3.224 1.00 0.00 C ATOM 500 OD1 ASN A 32 9.107 1.490 -3.091 1.00 0.00 O ATOM 501 ND2 ASN A 32 7.042 2.041 -3.782 1.00 0.00 N ATOM 0 H ASN A 32 7.189 -2.797 -2.131 1.00 0.00 H new ATOM 0 HA ASN A 32 9.058 -1.074 -3.662 1.00 0.00 H new ATOM 0 HB2 ASN A 32 6.517 -0.405 -3.363 1.00 0.00 H new ATOM 0 HB3 ASN A 32 7.004 -0.016 -1.725 1.00 0.00 H new ATOM 0 HD21 ASN A 32 7.351 2.952 -4.121 1.00 0.00 H new ATOM 0 HD22 ASN A 32 6.063 1.768 -3.872 1.00 0.00 H new ATOM 508 N SER A 33 10.503 -0.701 -1.654 1.00 0.00 N ATOM 509 CA SER A 33 11.407 -0.637 -0.512 1.00 0.00 C ATOM 510 C SER A 33 11.212 0.642 0.286 1.00 0.00 C ATOM 511 O SER A 33 10.919 1.702 -0.265 1.00 0.00 O ATOM 512 CB SER A 33 12.864 -0.734 -0.954 1.00 0.00 C ATOM 513 OG SER A 33 13.118 -1.956 -1.626 1.00 0.00 O ATOM 0 H SER A 33 10.891 -0.337 -2.524 1.00 0.00 H new ATOM 0 HA SER A 33 11.167 -1.489 0.124 1.00 0.00 H new ATOM 0 HB2 SER A 33 13.103 0.102 -1.612 1.00 0.00 H new ATOM 0 HB3 SER A 33 13.516 -0.652 -0.085 1.00 0.00 H new ATOM 0 HG SER A 33 14.059 -1.990 -1.899 1.00 0.00 H new ATOM 519 N LEU A 34 11.383 0.519 1.591 1.00 0.00 N ATOM 520 CA LEU A 34 11.238 1.640 2.505 1.00 0.00 C ATOM 521 C LEU A 34 12.598 2.007 3.103 1.00 0.00 C ATOM 522 O LEU A 34 13.413 1.133 3.398 1.00 0.00 O ATOM 523 CB LEU A 34 10.216 1.274 3.603 1.00 0.00 C ATOM 524 CG LEU A 34 10.125 2.204 4.804 1.00 0.00 C ATOM 525 CD1 LEU A 34 11.161 1.790 5.828 1.00 0.00 C ATOM 526 CD2 LEU A 34 10.284 3.665 4.407 1.00 0.00 C ATOM 0 H LEU A 34 11.626 -0.360 2.047 1.00 0.00 H new ATOM 0 HA LEU A 34 10.867 2.513 1.968 1.00 0.00 H new ATOM 0 HB2 LEU A 34 9.230 1.219 3.142 1.00 0.00 H new ATOM 0 HB3 LEU A 34 10.454 0.274 3.967 1.00 0.00 H new ATOM 0 HG LEU A 34 9.131 2.116 5.242 1.00 0.00 H new ATOM 0 HD11 LEU A 34 11.103 2.451 6.692 1.00 0.00 H new ATOM 0 HD12 LEU A 34 10.971 0.764 6.143 1.00 0.00 H new ATOM 0 HD13 LEU A 34 12.155 1.856 5.387 1.00 0.00 H new ATOM 0 HD21 LEU A 34 10.212 4.293 5.295 1.00 0.00 H new ATOM 0 HD22 LEU A 34 11.257 3.811 3.937 1.00 0.00 H new ATOM 0 HD23 LEU A 34 9.497 3.939 3.704 1.00 0.00 H new ATOM 538 N ALA A 35 12.835 3.303 3.278 1.00 0.00 N ATOM 539 CA ALA A 35 14.082 3.802 3.836 1.00 0.00 C ATOM 540 C ALA A 35 14.171 3.465 5.311 1.00 0.00 C ATOM 541 O ALA A 35 13.165 3.215 5.959 1.00 0.00 O ATOM 542 CB ALA A 35 14.193 5.298 3.631 1.00 0.00 C ATOM 0 H ALA A 35 12.167 4.035 3.036 1.00 0.00 H new ATOM 0 HA ALA A 35 14.910 3.319 3.317 1.00 0.00 H new ATOM 0 HB1 ALA A 35 15.132 5.655 4.055 1.00 0.00 H new ATOM 0 HB2 ALA A 35 14.168 5.522 2.565 1.00 0.00 H new ATOM 0 HB3 ALA A 35 13.359 5.796 4.126 1.00 0.00 H new ATOM 548 N ALA A 36 15.375 3.433 5.836 1.00 0.00 N ATOM 549 CA ALA A 36 15.561 3.072 7.233 1.00 0.00 C ATOM 550 C ALA A 36 15.017 4.153 8.157 1.00 0.00 C ATOM 551 O ALA A 36 15.522 5.274 8.208 1.00 0.00 O ATOM 552 CB ALA A 36 17.033 2.819 7.519 1.00 0.00 C ATOM 0 H ALA A 36 16.233 3.649 5.329 1.00 0.00 H new ATOM 0 HA ALA A 36 15.002 2.156 7.424 1.00 0.00 H new ATOM 0 HB1 ALA A 36 17.159 2.550 8.568 1.00 0.00 H new ATOM 0 HB2 ALA A 36 17.391 2.004 6.890 1.00 0.00 H new ATOM 0 HB3 ALA A 36 17.606 3.721 7.305 1.00 0.00 H new ATOM 558 N VAL A 37 13.953 3.782 8.872 1.00 0.00 N ATOM 559 CA VAL A 37 13.276 4.677 9.802 1.00 0.00 C ATOM 560 C VAL A 37 13.104 4.010 11.165 1.00 0.00 C ATOM 561 O VAL A 37 13.372 2.819 11.320 1.00 0.00 O ATOM 562 CB VAL A 37 11.881 5.079 9.272 1.00 0.00 C ATOM 563 CG1 VAL A 37 11.372 6.332 9.966 1.00 0.00 C ATOM 564 CG2 VAL A 37 11.908 5.272 7.762 1.00 0.00 C ATOM 0 H VAL A 37 13.539 2.851 8.820 1.00 0.00 H new ATOM 0 HA VAL A 37 13.896 5.568 9.902 1.00 0.00 H new ATOM 0 HB VAL A 37 11.192 4.266 9.498 1.00 0.00 H new ATOM 0 HG11 VAL A 37 10.389 6.592 9.573 1.00 0.00 H new ATOM 0 HG12 VAL A 37 11.298 6.150 11.038 1.00 0.00 H new ATOM 0 HG13 VAL A 37 12.064 7.155 9.785 1.00 0.00 H new ATOM 0 HG21 VAL A 37 10.915 5.554 7.413 1.00 0.00 H new ATOM 0 HG22 VAL A 37 12.619 6.059 7.508 1.00 0.00 H new ATOM 0 HG23 VAL A 37 12.210 4.341 7.282 1.00 0.00 H new ATOM 574 N SER A 38 12.654 4.783 12.149 1.00 0.00 N ATOM 575 CA SER A 38 12.443 4.267 13.496 1.00 0.00 C ATOM 576 C SER A 38 11.491 3.072 13.486 1.00 0.00 C ATOM 577 O SER A 38 11.911 1.933 13.687 1.00 0.00 O ATOM 578 CB SER A 38 11.891 5.367 14.404 1.00 0.00 C ATOM 579 OG SER A 38 12.759 6.487 14.434 1.00 0.00 O ATOM 0 H SER A 38 12.428 5.771 12.037 1.00 0.00 H new ATOM 0 HA SER A 38 13.406 3.933 13.882 1.00 0.00 H new ATOM 0 HB2 SER A 38 10.907 5.675 14.050 1.00 0.00 H new ATOM 0 HB3 SER A 38 11.760 4.978 15.414 1.00 0.00 H new ATOM 0 HG SER A 38 12.383 7.177 15.020 1.00 0.00 H new ATOM 585 N GLU A 39 10.206 3.337 13.258 1.00 0.00 N ATOM 586 CA GLU A 39 9.203 2.274 13.232 1.00 0.00 C ATOM 587 C GLU A 39 7.973 2.651 12.401 1.00 0.00 C ATOM 588 O GLU A 39 7.182 1.783 12.032 1.00 0.00 O ATOM 589 CB GLU A 39 8.773 1.921 14.657 1.00 0.00 C ATOM 590 CG GLU A 39 8.087 0.569 14.763 1.00 0.00 C ATOM 591 CD GLU A 39 6.775 0.636 15.521 1.00 0.00 C ATOM 592 OE1 GLU A 39 6.811 0.803 16.757 1.00 0.00 O ATOM 593 OE2 GLU A 39 5.712 0.522 14.875 1.00 0.00 O ATOM 0 H GLU A 39 9.836 4.273 13.090 1.00 0.00 H new ATOM 0 HA GLU A 39 9.667 1.409 12.758 1.00 0.00 H new ATOM 0 HB2 GLU A 39 9.649 1.927 15.305 1.00 0.00 H new ATOM 0 HB3 GLU A 39 8.098 2.693 15.027 1.00 0.00 H new ATOM 0 HG2 GLU A 39 7.904 0.180 13.762 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.754 -0.134 15.261 1.00 0.00 H new ATOM 600 N SER A 40 7.805 3.940 12.116 1.00 0.00 N ATOM 601 CA SER A 40 6.660 4.415 11.339 1.00 0.00 C ATOM 602 C SER A 40 6.416 3.559 10.094 1.00 0.00 C ATOM 603 O SER A 40 5.272 3.264 9.752 1.00 0.00 O ATOM 604 CB SER A 40 6.872 5.873 10.929 1.00 0.00 C ATOM 605 OG SER A 40 8.165 6.067 10.380 1.00 0.00 O ATOM 0 H SER A 40 8.447 4.676 12.411 1.00 0.00 H new ATOM 0 HA SER A 40 5.779 4.335 11.976 1.00 0.00 H new ATOM 0 HB2 SER A 40 6.116 6.162 10.198 1.00 0.00 H new ATOM 0 HB3 SER A 40 6.741 6.520 11.796 1.00 0.00 H new ATOM 0 HG SER A 40 8.274 7.007 10.125 1.00 0.00 H new ATOM 611 N GLN A 41 7.492 3.173 9.413 1.00 0.00 N ATOM 612 CA GLN A 41 7.377 2.364 8.200 1.00 0.00 C ATOM 613 C GLN A 41 6.642 1.058 8.455 1.00 0.00 C ATOM 614 O GLN A 41 6.014 0.503 7.554 1.00 0.00 O ATOM 615 CB GLN A 41 8.748 2.059 7.611 1.00 0.00 C ATOM 616 CG GLN A 41 9.836 1.757 8.634 1.00 0.00 C ATOM 617 CD GLN A 41 9.466 0.632 9.577 1.00 0.00 C ATOM 618 OE1 GLN A 41 9.078 0.869 10.719 1.00 0.00 O ATOM 619 NE2 GLN A 41 9.587 -0.602 9.107 1.00 0.00 N ATOM 0 H GLN A 41 8.449 3.405 9.678 1.00 0.00 H new ATOM 0 HA GLN A 41 6.800 2.954 7.488 1.00 0.00 H new ATOM 0 HB2 GLN A 41 8.656 1.206 6.938 1.00 0.00 H new ATOM 0 HB3 GLN A 41 9.064 2.909 7.007 1.00 0.00 H new ATOM 0 HG2 GLN A 41 10.757 1.497 8.111 1.00 0.00 H new ATOM 0 HG3 GLN A 41 10.042 2.657 9.214 1.00 0.00 H new ATOM 0 HE21 GLN A 41 9.913 -0.755 8.153 1.00 0.00 H new ATOM 0 HE22 GLN A 41 9.354 -1.399 9.700 1.00 0.00 H new ATOM 628 N LEU A 42 6.735 0.560 9.677 1.00 0.00 N ATOM 629 CA LEU A 42 6.085 -0.692 10.027 1.00 0.00 C ATOM 630 C LEU A 42 4.600 -0.481 10.263 1.00 0.00 C ATOM 631 O LEU A 42 3.765 -1.191 9.705 1.00 0.00 O ATOM 632 CB LEU A 42 6.731 -1.299 11.273 1.00 0.00 C ATOM 633 CG LEU A 42 6.123 -2.624 11.734 1.00 0.00 C ATOM 634 CD1 LEU A 42 6.731 -3.785 10.963 1.00 0.00 C ATOM 635 CD2 LEU A 42 6.322 -2.809 13.230 1.00 0.00 C ATOM 0 H LEU A 42 7.251 1.000 10.439 1.00 0.00 H new ATOM 0 HA LEU A 42 6.209 -1.382 9.193 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.792 -1.452 11.076 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.659 -0.580 12.089 1.00 0.00 H new ATOM 0 HG LEU A 42 5.052 -2.603 11.532 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.287 -4.720 11.304 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.535 -3.657 9.898 1.00 0.00 H new ATOM 0 HD13 LEU A 42 7.807 -3.811 11.133 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.883 -3.757 13.541 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.388 -2.810 13.458 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.838 -1.992 13.765 1.00 0.00 H new ATOM 647 N ALA A 43 4.278 0.499 11.093 1.00 0.00 N ATOM 648 CA ALA A 43 2.893 0.803 11.408 1.00 0.00 C ATOM 649 C ALA A 43 2.200 1.514 10.251 1.00 0.00 C ATOM 650 O ALA A 43 0.973 1.488 10.148 1.00 0.00 O ATOM 651 CB ALA A 43 2.818 1.641 12.670 1.00 0.00 C ATOM 0 H ALA A 43 4.959 1.098 11.561 1.00 0.00 H new ATOM 0 HA ALA A 43 2.370 -0.139 11.575 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.776 1.864 12.898 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.261 1.090 13.500 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.364 2.573 12.521 1.00 0.00 H new ATOM 657 N GLN A 44 2.980 2.150 9.377 1.00 0.00 N ATOM 658 CA GLN A 44 2.406 2.856 8.237 1.00 0.00 C ATOM 659 C GLN A 44 1.767 1.868 7.268 1.00 0.00 C ATOM 660 O GLN A 44 0.659 2.088 6.779 1.00 0.00 O ATOM 661 CB GLN A 44 3.478 3.676 7.518 1.00 0.00 C ATOM 662 CG GLN A 44 2.923 4.587 6.436 1.00 0.00 C ATOM 663 CD GLN A 44 2.267 5.831 7.003 1.00 0.00 C ATOM 664 OE1 GLN A 44 1.043 5.970 6.978 1.00 0.00 O ATOM 665 NE2 GLN A 44 3.079 6.746 7.519 1.00 0.00 N ATOM 0 H GLN A 44 3.997 2.190 9.436 1.00 0.00 H new ATOM 0 HA GLN A 44 1.637 3.535 8.606 1.00 0.00 H new ATOM 0 HB2 GLN A 44 4.014 4.280 8.250 1.00 0.00 H new ATOM 0 HB3 GLN A 44 4.205 2.997 7.072 1.00 0.00 H new ATOM 0 HG2 GLN A 44 3.729 4.880 5.764 1.00 0.00 H new ATOM 0 HG3 GLN A 44 2.195 4.036 5.840 1.00 0.00 H new ATOM 0 HE21 GLN A 44 4.087 6.591 7.520 1.00 0.00 H new ATOM 0 HE22 GLN A 44 2.695 7.604 7.915 1.00 0.00 H new ATOM 674 N LEU A 45 2.476 0.780 6.999 1.00 0.00 N ATOM 675 CA LEU A 45 1.992 -0.251 6.092 1.00 0.00 C ATOM 676 C LEU A 45 0.975 -1.158 6.774 1.00 0.00 C ATOM 677 O LEU A 45 -0.136 -1.348 6.278 1.00 0.00 O ATOM 678 CB LEU A 45 3.162 -1.080 5.575 1.00 0.00 C ATOM 679 CG LEU A 45 4.327 -0.264 5.020 1.00 0.00 C ATOM 680 CD1 LEU A 45 5.564 -1.133 4.869 1.00 0.00 C ATOM 681 CD2 LEU A 45 3.947 0.377 3.695 1.00 0.00 C ATOM 0 H LEU A 45 3.394 0.588 7.399 1.00 0.00 H new ATOM 0 HA LEU A 45 1.497 0.242 5.255 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.530 -1.709 6.386 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.799 -1.748 4.794 1.00 0.00 H new ATOM 0 HG LEU A 45 4.558 0.533 5.727 1.00 0.00 H new ATOM 0 HD11 LEU A 45 6.383 -0.534 4.472 1.00 0.00 H new ATOM 0 HD12 LEU A 45 5.847 -1.536 5.842 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.351 -1.954 4.185 1.00 0.00 H new ATOM 0 HD21 LEU A 45 4.790 0.954 3.315 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.686 -0.400 2.976 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.092 1.037 3.842 1.00 0.00 H new ATOM 692 N LYS A 46 1.368 -1.721 7.911 1.00 0.00 N ATOM 693 CA LYS A 46 0.499 -2.622 8.670 1.00 0.00 C ATOM 694 C LYS A 46 -0.916 -2.059 8.797 1.00 0.00 C ATOM 695 O LYS A 46 -1.885 -2.811 8.904 1.00 0.00 O ATOM 696 CB LYS A 46 1.083 -2.884 10.061 1.00 0.00 C ATOM 697 CG LYS A 46 1.392 -4.348 10.325 1.00 0.00 C ATOM 698 CD LYS A 46 2.699 -4.516 11.084 1.00 0.00 C ATOM 699 CE LYS A 46 2.810 -5.901 11.701 1.00 0.00 C ATOM 700 NZ LYS A 46 2.971 -6.959 10.666 1.00 0.00 N ATOM 0 H LYS A 46 2.285 -1.571 8.331 1.00 0.00 H new ATOM 0 HA LYS A 46 0.442 -3.563 8.122 1.00 0.00 H new ATOM 0 HB2 LYS A 46 1.997 -2.302 10.178 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.380 -2.528 10.814 1.00 0.00 H new ATOM 0 HG2 LYS A 46 0.579 -4.795 10.897 1.00 0.00 H new ATOM 0 HG3 LYS A 46 1.449 -4.885 9.378 1.00 0.00 H new ATOM 0 HD2 LYS A 46 3.538 -4.349 10.408 1.00 0.00 H new ATOM 0 HD3 LYS A 46 2.766 -3.761 11.867 1.00 0.00 H new ATOM 0 HE2 LYS A 46 3.660 -5.928 12.383 1.00 0.00 H new ATOM 0 HE3 LYS A 46 1.919 -6.106 12.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 3.043 -7.888 11.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 2.148 -6.951 10.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 3.835 -6.778 10.116 1.00 0.00 H new ATOM 714 N ALA A 47 -1.029 -0.734 8.784 1.00 0.00 N ATOM 715 CA ALA A 47 -2.326 -0.074 8.896 1.00 0.00 C ATOM 716 C ALA A 47 -3.334 -0.661 7.911 1.00 0.00 C ATOM 717 O ALA A 47 -4.541 -0.637 8.154 1.00 0.00 O ATOM 718 CB ALA A 47 -2.177 1.423 8.671 1.00 0.00 C ATOM 0 H ALA A 47 -0.238 -0.096 8.697 1.00 0.00 H new ATOM 0 HA ALA A 47 -2.704 -0.245 9.904 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -3.152 1.903 8.757 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -1.501 1.838 9.419 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.771 1.603 7.675 1.00 0.00 H new ATOM 724 N ASP A 48 -2.830 -1.190 6.800 1.00 0.00 N ATOM 725 CA ASP A 48 -3.684 -1.787 5.779 1.00 0.00 C ATOM 726 C ASP A 48 -3.343 -3.258 5.577 1.00 0.00 C ATOM 727 O ASP A 48 -2.443 -3.597 4.808 1.00 0.00 O ATOM 728 CB ASP A 48 -3.545 -1.028 4.458 1.00 0.00 C ATOM 729 CG ASP A 48 -4.878 -0.820 3.766 1.00 0.00 C ATOM 730 OD1 ASP A 48 -5.611 0.112 4.158 1.00 0.00 O ATOM 731 OD2 ASP A 48 -5.189 -1.590 2.833 1.00 0.00 O ATOM 0 H ASP A 48 -1.834 -1.217 6.584 1.00 0.00 H new ATOM 0 HA ASP A 48 -4.717 -1.718 6.119 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.082 -0.059 4.646 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -2.877 -1.578 3.795 1.00 0.00 H new ATOM 736 N PRO A 49 -4.059 -4.157 6.273 1.00 0.00 N ATOM 737 CA PRO A 49 -3.829 -5.602 6.174 1.00 0.00 C ATOM 738 C PRO A 49 -3.869 -6.108 4.734 1.00 0.00 C ATOM 739 O PRO A 49 -3.336 -7.174 4.429 1.00 0.00 O ATOM 740 CB PRO A 49 -4.984 -6.201 6.980 1.00 0.00 C ATOM 741 CG PRO A 49 -5.368 -5.133 7.942 1.00 0.00 C ATOM 742 CD PRO A 49 -5.146 -3.835 7.219 1.00 0.00 C ATOM 0 HA PRO A 49 -2.841 -5.879 6.542 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -5.819 -6.471 6.334 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -4.676 -7.109 7.499 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -6.409 -5.238 8.248 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -4.763 -5.185 8.847 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -6.046 -3.504 6.701 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -4.860 -3.036 7.904 1.00 0.00 H new ATOM 750 N ARG A 50 -4.510 -5.343 3.855 1.00 0.00 N ATOM 751 CA ARG A 50 -4.627 -5.720 2.448 1.00 0.00 C ATOM 752 C ARG A 50 -3.279 -6.158 1.871 1.00 0.00 C ATOM 753 O ARG A 50 -3.210 -7.115 1.099 1.00 0.00 O ATOM 754 CB ARG A 50 -5.194 -4.556 1.632 1.00 0.00 C ATOM 755 CG ARG A 50 -5.487 -4.914 0.184 1.00 0.00 C ATOM 756 CD ARG A 50 -6.345 -3.855 -0.491 1.00 0.00 C ATOM 757 NE ARG A 50 -7.717 -4.314 -0.699 1.00 0.00 N ATOM 758 CZ ARG A 50 -8.623 -3.644 -1.407 1.00 0.00 C ATOM 759 NH1 ARG A 50 -8.309 -2.485 -1.975 1.00 0.00 N ATOM 760 NH2 ARG A 50 -9.848 -4.132 -1.548 1.00 0.00 N ATOM 0 H ARG A 50 -4.957 -4.457 4.092 1.00 0.00 H new ATOM 0 HA ARG A 50 -5.310 -6.567 2.387 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -6.112 -4.206 2.104 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -4.486 -3.727 1.657 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -4.550 -5.025 -0.361 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -5.996 -5.877 0.142 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -6.353 -2.952 0.119 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -5.903 -3.587 -1.451 1.00 0.00 H new ATOM 0 HE ARG A 50 -7.996 -5.200 -0.277 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -7.369 -2.104 -1.870 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -9.008 -1.976 -2.516 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -10.096 -5.021 -1.114 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -10.542 -3.618 -2.091 1.00 0.00 H new ATOM 774 N LEU A 51 -2.213 -5.461 2.253 1.00 0.00 N ATOM 775 CA LEU A 51 -0.874 -5.794 1.771 1.00 0.00 C ATOM 776 C LEU A 51 -0.050 -6.440 2.883 1.00 0.00 C ATOM 777 O LEU A 51 -0.595 -6.865 3.901 1.00 0.00 O ATOM 778 CB LEU A 51 -0.144 -4.553 1.232 1.00 0.00 C ATOM 779 CG LEU A 51 -1.030 -3.390 0.771 1.00 0.00 C ATOM 780 CD1 LEU A 51 -2.165 -3.884 -0.112 1.00 0.00 C ATOM 781 CD2 LEU A 51 -1.573 -2.621 1.967 1.00 0.00 C ATOM 0 H LEU A 51 -2.248 -4.666 2.891 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.988 -6.503 0.951 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.526 -4.185 2.010 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.480 -4.861 0.393 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.415 -2.713 0.179 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.777 -3.038 -0.424 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.753 -4.378 -0.992 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.779 -4.590 0.446 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.199 -1.800 1.618 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.166 -3.290 2.591 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.743 -2.222 2.550 1.00 0.00 H new ATOM 793 N VAL A 52 1.264 -6.516 2.684 1.00 0.00 N ATOM 794 CA VAL A 52 2.150 -7.116 3.674 1.00 0.00 C ATOM 795 C VAL A 52 3.329 -6.203 3.996 1.00 0.00 C ATOM 796 O VAL A 52 3.890 -5.564 3.108 1.00 0.00 O ATOM 797 CB VAL A 52 2.686 -8.485 3.193 1.00 0.00 C ATOM 798 CG1 VAL A 52 1.580 -9.286 2.527 1.00 0.00 C ATOM 799 CG2 VAL A 52 3.863 -8.311 2.240 1.00 0.00 C ATOM 0 H VAL A 52 1.736 -6.170 1.848 1.00 0.00 H new ATOM 0 HA VAL A 52 1.557 -7.261 4.577 1.00 0.00 H new ATOM 0 HB VAL A 52 3.037 -9.033 4.067 1.00 0.00 H new ATOM 0 HG11 VAL A 52 1.975 -10.246 2.195 1.00 0.00 H new ATOM 0 HG12 VAL A 52 0.772 -9.453 3.239 1.00 0.00 H new ATOM 0 HG13 VAL A 52 1.198 -8.734 1.668 1.00 0.00 H new ATOM 0 HG21 VAL A 52 4.219 -9.290 1.919 1.00 0.00 H new ATOM 0 HG22 VAL A 52 3.545 -7.737 1.370 1.00 0.00 H new ATOM 0 HG23 VAL A 52 4.668 -7.782 2.749 1.00 0.00 H new ATOM 809 N VAL A 53 3.706 -6.155 5.269 1.00 0.00 N ATOM 810 CA VAL A 53 4.830 -5.327 5.699 1.00 0.00 C ATOM 811 C VAL A 53 5.775 -6.117 6.597 1.00 0.00 C ATOM 812 O VAL A 53 5.393 -6.565 7.679 1.00 0.00 O ATOM 813 CB VAL A 53 4.350 -4.059 6.427 1.00 0.00 C ATOM 814 CG1 VAL A 53 3.373 -4.406 7.540 1.00 0.00 C ATOM 815 CG2 VAL A 53 5.524 -3.254 6.968 1.00 0.00 C ATOM 0 H VAL A 53 3.253 -6.677 6.019 1.00 0.00 H new ATOM 0 HA VAL A 53 5.369 -5.022 4.802 1.00 0.00 H new ATOM 0 HB VAL A 53 3.828 -3.438 5.699 1.00 0.00 H new ATOM 0 HG11 VAL A 53 3.049 -3.492 8.038 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.507 -4.915 7.118 1.00 0.00 H new ATOM 0 HG13 VAL A 53 3.862 -5.060 8.263 1.00 0.00 H new ATOM 0 HG21 VAL A 53 5.152 -2.365 7.477 1.00 0.00 H new ATOM 0 HG22 VAL A 53 6.090 -3.864 7.672 1.00 0.00 H new ATOM 0 HG23 VAL A 53 6.172 -2.956 6.143 1.00 0.00 H new ATOM 825 N GLN A 54 7.007 -6.294 6.132 1.00 0.00 N ATOM 826 CA GLN A 54 8.009 -7.045 6.886 1.00 0.00 C ATOM 827 C GLN A 54 9.301 -6.249 7.054 1.00 0.00 C ATOM 828 O GLN A 54 9.822 -5.682 6.094 1.00 0.00 O ATOM 829 CB GLN A 54 8.302 -8.376 6.190 1.00 0.00 C ATOM 830 CG GLN A 54 7.567 -9.558 6.803 1.00 0.00 C ATOM 831 CD GLN A 54 8.452 -10.781 6.953 1.00 0.00 C ATOM 832 OE1 GLN A 54 9.058 -10.997 8.003 1.00 0.00 O ATOM 833 NE2 GLN A 54 8.531 -11.587 5.902 1.00 0.00 N ATOM 0 H GLN A 54 7.337 -5.929 5.239 1.00 0.00 H new ATOM 0 HA GLN A 54 7.603 -7.236 7.879 1.00 0.00 H new ATOM 0 HB2 GLN A 54 8.028 -8.294 5.138 1.00 0.00 H new ATOM 0 HB3 GLN A 54 9.374 -8.567 6.226 1.00 0.00 H new ATOM 0 HG2 GLN A 54 7.179 -9.273 7.781 1.00 0.00 H new ATOM 0 HG3 GLN A 54 6.708 -9.810 6.181 1.00 0.00 H new ATOM 0 HE21 GLN A 54 8.011 -11.369 5.052 1.00 0.00 H new ATOM 0 HE22 GLN A 54 9.111 -12.425 5.944 1.00 0.00 H new ATOM 842 N ILE A 55 9.818 -6.228 8.280 1.00 0.00 N ATOM 843 CA ILE A 55 11.058 -5.518 8.584 1.00 0.00 C ATOM 844 C ILE A 55 12.259 -6.455 8.497 1.00 0.00 C ATOM 845 O ILE A 55 12.252 -7.544 9.071 1.00 0.00 O ATOM 846 CB ILE A 55 11.018 -4.897 9.993 1.00 0.00 C ATOM 847 CG1 ILE A 55 10.555 -5.933 11.020 1.00 0.00 C ATOM 848 CG2 ILE A 55 10.109 -3.679 10.009 1.00 0.00 C ATOM 849 CD1 ILE A 55 11.424 -5.991 12.256 1.00 0.00 C ATOM 0 H ILE A 55 9.396 -6.696 9.082 1.00 0.00 H new ATOM 0 HA ILE A 55 11.158 -4.724 7.844 1.00 0.00 H new ATOM 0 HB ILE A 55 12.025 -4.576 10.261 1.00 0.00 H new ATOM 0 HG12 ILE A 55 9.531 -5.706 11.316 1.00 0.00 H new ATOM 0 HG13 ILE A 55 10.540 -6.916 10.550 1.00 0.00 H new ATOM 0 HG21 ILE A 55 10.091 -3.251 11.011 1.00 0.00 H new ATOM 0 HG22 ILE A 55 10.483 -2.936 9.304 1.00 0.00 H new ATOM 0 HG23 ILE A 55 9.100 -3.974 9.723 1.00 0.00 H new ATOM 0 HD11 ILE A 55 11.036 -6.747 12.939 1.00 0.00 H new ATOM 0 HD12 ILE A 55 12.444 -6.249 11.972 1.00 0.00 H new ATOM 0 HD13 ILE A 55 11.419 -5.019 12.750 1.00 0.00 H new ATOM 861 N THR A 56 13.290 -6.024 7.779 1.00 0.00 N ATOM 862 CA THR A 56 14.498 -6.824 7.621 1.00 0.00 C ATOM 863 C THR A 56 15.721 -6.059 8.111 1.00 0.00 C ATOM 864 O THR A 56 16.206 -5.148 7.440 1.00 0.00 O ATOM 865 CB THR A 56 14.683 -7.221 6.155 1.00 0.00 C ATOM 866 OG1 THR A 56 14.816 -6.072 5.338 1.00 0.00 O ATOM 867 CG2 THR A 56 13.536 -8.044 5.610 1.00 0.00 C ATOM 0 H THR A 56 13.313 -5.125 7.297 1.00 0.00 H new ATOM 0 HA THR A 56 14.390 -7.726 8.223 1.00 0.00 H new ATOM 0 HB THR A 56 15.588 -7.828 6.131 1.00 0.00 H new ATOM 0 HG1 THR A 56 15.240 -5.353 5.851 1.00 0.00 H new ATOM 0 HG21 THR A 56 13.730 -8.292 4.566 1.00 0.00 H new ATOM 0 HG22 THR A 56 13.440 -8.962 6.189 1.00 0.00 H new ATOM 0 HG23 THR A 56 12.611 -7.471 5.681 1.00 0.00 H new ATOM 1312 N LEU A 89 -3.628 -24.403 9.893 1.00 0.00 N ATOM 1313 CA LEU A 89 -3.270 -24.963 8.594 1.00 0.00 C ATOM 1314 C LEU A 89 -1.769 -24.853 8.348 1.00 0.00 C ATOM 1315 O LEU A 89 -1.148 -25.773 7.817 1.00 0.00 O ATOM 1316 CB LEU A 89 -4.035 -24.247 7.479 1.00 0.00 C ATOM 1317 CG LEU A 89 -5.376 -24.881 7.105 1.00 0.00 C ATOM 1318 CD1 LEU A 89 -5.166 -26.270 6.522 1.00 0.00 C ATOM 1319 CD2 LEU A 89 -6.294 -24.941 8.317 1.00 0.00 C ATOM 0 HA LEU A 89 -3.543 -26.018 8.594 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -4.210 -23.215 7.784 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -3.405 -24.214 6.590 1.00 0.00 H new ATOM 0 HG LEU A 89 -5.851 -24.260 6.346 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -6.131 -26.705 6.262 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -4.547 -26.199 5.628 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -4.669 -26.902 7.258 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -7.243 -25.395 8.032 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -5.826 -25.539 9.099 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -6.471 -23.932 8.689 1.00 0.00 H new ATOM 1331 N ASN A 90 -1.192 -23.718 8.730 1.00 0.00 N ATOM 1332 CA ASN A 90 0.238 -23.481 8.547 1.00 0.00 C ATOM 1333 C ASN A 90 1.076 -24.660 9.049 1.00 0.00 C ATOM 1334 O ASN A 90 2.115 -24.980 8.470 1.00 0.00 O ATOM 1335 CB ASN A 90 0.658 -22.200 9.272 1.00 0.00 C ATOM 1336 CG ASN A 90 0.615 -20.985 8.367 1.00 0.00 C ATOM 1337 OD1 ASN A 90 0.092 -21.042 7.255 1.00 0.00 O ATOM 1338 ND2 ASN A 90 1.168 -19.874 8.842 1.00 0.00 N ATOM 0 H ASN A 90 -1.693 -22.946 9.169 1.00 0.00 H new ATOM 0 HA ASN A 90 0.419 -23.371 7.478 1.00 0.00 H new ATOM 0 HB2 ASN A 90 0.001 -22.037 10.126 1.00 0.00 H new ATOM 0 HB3 ASN A 90 1.667 -22.322 9.665 1.00 0.00 H new ATOM 0 HD21 ASN A 90 1.170 -19.024 8.278 1.00 0.00 H new ATOM 0 HD22 ASN A 90 1.591 -19.871 9.770 1.00 0.00 H new ATOM 1345 N THR A 91 0.631 -25.292 10.132 1.00 0.00 N ATOM 1346 CA THR A 91 1.355 -26.421 10.711 1.00 0.00 C ATOM 1347 C THR A 91 1.458 -27.610 9.747 1.00 0.00 C ATOM 1348 O THR A 91 2.226 -28.540 9.995 1.00 0.00 O ATOM 1349 CB THR A 91 0.679 -26.868 12.007 1.00 0.00 C ATOM 1350 OG1 THR A 91 0.205 -25.749 12.737 1.00 0.00 O ATOM 1351 CG2 THR A 91 1.594 -27.656 12.918 1.00 0.00 C ATOM 0 H THR A 91 -0.226 -25.042 10.626 1.00 0.00 H new ATOM 0 HA THR A 91 2.369 -26.078 10.917 1.00 0.00 H new ATOM 0 HB THR A 91 -0.142 -27.514 11.697 1.00 0.00 H new ATOM 0 HG1 THR A 91 -0.226 -26.055 13.562 1.00 0.00 H new ATOM 0 HG21 THR A 91 1.052 -27.942 13.819 1.00 0.00 H new ATOM 0 HG22 THR A 91 1.938 -28.552 12.402 1.00 0.00 H new ATOM 0 HG23 THR A 91 2.453 -27.042 13.191 1.00 0.00 H new ATOM 1359 N PHE A 92 0.693 -27.591 8.656 1.00 0.00 N ATOM 1360 CA PHE A 92 0.730 -28.684 7.688 1.00 0.00 C ATOM 1361 C PHE A 92 1.924 -28.549 6.741 1.00 0.00 C ATOM 1362 O PHE A 92 2.207 -29.453 5.957 1.00 0.00 O ATOM 1363 CB PHE A 92 -0.570 -28.733 6.885 1.00 0.00 C ATOM 1364 CG PHE A 92 -1.609 -29.638 7.481 1.00 0.00 C ATOM 1365 CD1 PHE A 92 -2.335 -29.247 8.595 1.00 0.00 C ATOM 1366 CD2 PHE A 92 -1.861 -30.882 6.925 1.00 0.00 C ATOM 1367 CE1 PHE A 92 -3.292 -30.079 9.142 1.00 0.00 C ATOM 1368 CE2 PHE A 92 -2.816 -31.719 7.468 1.00 0.00 C ATOM 1369 CZ PHE A 92 -3.533 -31.317 8.579 1.00 0.00 C ATOM 0 H PHE A 92 0.046 -26.838 8.422 1.00 0.00 H new ATOM 0 HA PHE A 92 0.840 -29.615 8.245 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -0.978 -27.725 6.808 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -0.349 -29.065 5.871 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -2.150 -28.281 9.040 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -1.304 -31.201 6.057 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -3.852 -29.762 10.010 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -3.002 -32.686 7.025 1.00 0.00 H new ATOM 0 HZ PHE A 92 -4.280 -31.970 9.006 1.00 0.00 H new ATOM 1379 N THR A 93 2.625 -27.418 6.820 1.00 0.00 N ATOM 1380 CA THR A 93 3.788 -27.174 5.971 1.00 0.00 C ATOM 1381 C THR A 93 3.374 -26.990 4.511 1.00 0.00 C ATOM 1382 O THR A 93 2.208 -26.727 4.215 1.00 0.00 O ATOM 1383 CB THR A 93 4.789 -28.329 6.096 1.00 0.00 C ATOM 1384 OG1 THR A 93 4.554 -29.073 7.277 1.00 0.00 O ATOM 1385 CG2 THR A 93 6.230 -27.868 6.125 1.00 0.00 C ATOM 0 H THR A 93 2.407 -26.657 7.464 1.00 0.00 H new ATOM 0 HA THR A 93 4.265 -26.253 6.307 1.00 0.00 H new ATOM 0 HB THR A 93 4.635 -28.941 5.208 1.00 0.00 H new ATOM 0 HG1 THR A 93 5.202 -29.806 7.336 1.00 0.00 H new ATOM 0 HG21 THR A 93 6.887 -28.733 6.215 1.00 0.00 H new ATOM 0 HG22 THR A 93 6.459 -27.332 5.204 1.00 0.00 H new ATOM 0 HG23 THR A 93 6.383 -27.206 6.977 1.00 0.00 H new ATOM 1393 N VAL A 94 4.338 -27.128 3.604 1.00 0.00 N ATOM 1394 CA VAL A 94 4.078 -26.976 2.176 1.00 0.00 C ATOM 1395 C VAL A 94 4.317 -28.287 1.436 1.00 0.00 C ATOM 1396 O VAL A 94 3.539 -28.680 0.568 1.00 0.00 O ATOM 1397 CB VAL A 94 4.968 -25.880 1.559 1.00 0.00 C ATOM 1398 CG1 VAL A 94 4.557 -25.602 0.122 1.00 0.00 C ATOM 1399 CG2 VAL A 94 4.906 -24.610 2.395 1.00 0.00 C ATOM 0 H VAL A 94 5.308 -27.345 3.834 1.00 0.00 H new ATOM 0 HA VAL A 94 3.033 -26.686 2.070 1.00 0.00 H new ATOM 0 HB VAL A 94 5.999 -26.235 1.554 1.00 0.00 H new ATOM 0 HG11 VAL A 94 5.197 -24.825 -0.296 1.00 0.00 H new ATOM 0 HG12 VAL A 94 4.659 -26.513 -0.468 1.00 0.00 H new ATOM 0 HG13 VAL A 94 3.520 -25.268 0.098 1.00 0.00 H new ATOM 0 HG21 VAL A 94 5.540 -23.847 1.945 1.00 0.00 H new ATOM 0 HG22 VAL A 94 3.878 -24.250 2.435 1.00 0.00 H new ATOM 0 HG23 VAL A 94 5.255 -24.822 3.405 1.00 0.00 H new ATOM 1409 N GLU A 95 5.403 -28.957 1.798 1.00 0.00 N ATOM 1410 CA GLU A 95 5.770 -30.230 1.191 1.00 0.00 C ATOM 1411 C GLU A 95 4.933 -31.373 1.761 1.00 0.00 C ATOM 1412 O GLU A 95 4.835 -32.442 1.158 1.00 0.00 O ATOM 1413 CB GLU A 95 7.257 -30.513 1.414 1.00 0.00 C ATOM 1414 CG GLU A 95 7.652 -30.567 2.880 1.00 0.00 C ATOM 1415 CD GLU A 95 9.020 -31.184 3.093 1.00 0.00 C ATOM 1416 OE1 GLU A 95 9.997 -30.682 2.497 1.00 0.00 O ATOM 1417 OE2 GLU A 95 9.116 -32.170 3.855 1.00 0.00 O ATOM 0 H GLU A 95 6.051 -28.636 2.517 1.00 0.00 H new ATOM 0 HA GLU A 95 5.573 -30.161 0.121 1.00 0.00 H new ATOM 0 HB2 GLU A 95 7.513 -31.462 0.942 1.00 0.00 H new ATOM 0 HB3 GLU A 95 7.844 -29.741 0.916 1.00 0.00 H new ATOM 0 HG2 GLU A 95 7.645 -29.558 3.292 1.00 0.00 H new ATOM 0 HG3 GLU A 95 6.908 -31.142 3.432 1.00 0.00 H new ATOM 1424 N GLN A 96 4.344 -31.147 2.931 1.00 0.00 N ATOM 1425 CA GLN A 96 3.531 -32.159 3.587 1.00 0.00 C ATOM 1426 C GLN A 96 2.167 -32.259 2.930 1.00 0.00 C ATOM 1427 O GLN A 96 1.539 -33.316 2.935 1.00 0.00 O ATOM 1428 CB GLN A 96 3.380 -31.832 5.075 1.00 0.00 C ATOM 1429 CG GLN A 96 3.957 -32.896 5.995 1.00 0.00 C ATOM 1430 CD GLN A 96 2.960 -33.377 7.031 1.00 0.00 C ATOM 1431 OE1 GLN A 96 2.750 -32.729 8.056 1.00 0.00 O ATOM 1432 NE2 GLN A 96 2.338 -34.521 6.768 1.00 0.00 N ATOM 0 H GLN A 96 4.416 -30.268 3.444 1.00 0.00 H new ATOM 0 HA GLN A 96 4.032 -33.122 3.487 1.00 0.00 H new ATOM 0 HB2 GLN A 96 3.871 -30.881 5.281 1.00 0.00 H new ATOM 0 HB3 GLN A 96 2.322 -31.701 5.304 1.00 0.00 H new ATOM 0 HG2 GLN A 96 4.292 -33.744 5.398 1.00 0.00 H new ATOM 0 HG3 GLN A 96 4.836 -32.496 6.501 1.00 0.00 H new ATOM 0 HE21 GLN A 96 2.542 -35.026 5.906 1.00 0.00 H new ATOM 0 HE22 GLN A 96 1.656 -34.894 7.428 1.00 0.00 H new ATOM 1441 N LEU A 97 1.727 -31.156 2.345 1.00 0.00 N ATOM 1442 CA LEU A 97 0.449 -31.129 1.659 1.00 0.00 C ATOM 1443 C LEU A 97 0.609 -31.826 0.322 1.00 0.00 C ATOM 1444 O LEU A 97 -0.038 -32.837 0.046 1.00 0.00 O ATOM 1445 CB LEU A 97 -0.035 -29.689 1.456 1.00 0.00 C ATOM 1446 CG LEU A 97 0.603 -28.629 2.353 1.00 0.00 C ATOM 1447 CD1 LEU A 97 0.861 -27.352 1.568 1.00 0.00 C ATOM 1448 CD2 LEU A 97 -0.300 -28.362 3.539 1.00 0.00 C ATOM 0 H LEU A 97 2.235 -30.272 2.332 1.00 0.00 H new ATOM 0 HA LEU A 97 -0.299 -31.643 2.263 1.00 0.00 H new ATOM 0 HB2 LEU A 97 0.143 -29.411 0.417 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -1.114 -29.665 1.612 1.00 0.00 H new ATOM 0 HG LEU A 97 1.563 -28.995 2.717 1.00 0.00 H new ATOM 0 HD11 LEU A 97 1.316 -26.608 2.222 1.00 0.00 H new ATOM 0 HD12 LEU A 97 1.535 -27.565 0.738 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -0.082 -26.966 1.180 1.00 0.00 H new ATOM 0 HD21 LEU A 97 0.154 -27.606 4.179 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -1.268 -28.005 3.186 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -0.438 -29.283 4.106 1.00 0.00 H new ATOM 1460 N LYS A 98 1.516 -31.295 -0.486 1.00 0.00 N ATOM 1461 CA LYS A 98 1.824 -31.881 -1.792 1.00 0.00 C ATOM 1462 C LYS A 98 2.029 -33.391 -1.673 1.00 0.00 C ATOM 1463 O LYS A 98 1.670 -34.146 -2.577 1.00 0.00 O ATOM 1464 CB LYS A 98 3.086 -31.229 -2.371 1.00 0.00 C ATOM 1465 CG LYS A 98 2.826 -30.311 -3.556 1.00 0.00 C ATOM 1466 CD LYS A 98 1.841 -29.206 -3.205 1.00 0.00 C ATOM 1467 CE LYS A 98 2.448 -28.180 -2.256 1.00 0.00 C ATOM 1468 NZ LYS A 98 3.925 -28.059 -2.418 1.00 0.00 N ATOM 0 H LYS A 98 2.055 -30.458 -0.264 1.00 0.00 H new ATOM 0 HA LYS A 98 0.982 -31.698 -2.460 1.00 0.00 H new ATOM 0 HB2 LYS A 98 3.580 -30.658 -1.585 1.00 0.00 H new ATOM 0 HB3 LYS A 98 3.778 -32.013 -2.678 1.00 0.00 H new ATOM 0 HG2 LYS A 98 3.766 -29.869 -3.887 1.00 0.00 H new ATOM 0 HG3 LYS A 98 2.436 -30.895 -4.390 1.00 0.00 H new ATOM 0 HD2 LYS A 98 1.515 -28.707 -4.118 1.00 0.00 H new ATOM 0 HD3 LYS A 98 0.954 -29.643 -2.747 1.00 0.00 H new ATOM 0 HE2 LYS A 98 1.985 -27.209 -2.431 1.00 0.00 H new ATOM 0 HE3 LYS A 98 2.220 -28.461 -1.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 4.228 -27.106 -2.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 4.399 -28.766 -1.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 4.179 -28.221 -3.413 1.00 0.00 H new ATOM 1482 N ALA A 99 2.604 -33.830 -0.555 1.00 0.00 N ATOM 1483 CA ALA A 99 2.846 -35.252 -0.335 1.00 0.00 C ATOM 1484 C ALA A 99 1.623 -35.949 0.242 1.00 0.00 C ATOM 1485 O ALA A 99 1.479 -37.167 0.138 1.00 0.00 O ATOM 1486 CB ALA A 99 4.052 -35.454 0.569 1.00 0.00 C ATOM 0 H ALA A 99 2.909 -33.225 0.207 1.00 0.00 H new ATOM 0 HA ALA A 99 3.054 -35.704 -1.305 1.00 0.00 H new ATOM 0 HB1 ALA A 99 4.217 -36.520 0.722 1.00 0.00 H new ATOM 0 HB2 ALA A 99 4.934 -35.013 0.104 1.00 0.00 H new ATOM 0 HB3 ALA A 99 3.871 -34.973 1.530 1.00 0.00 H new ATOM 1492 N GLN A 100 0.753 -35.168 0.854 1.00 0.00 N ATOM 1493 CA GLN A 100 -0.460 -35.701 1.461 1.00 0.00 C ATOM 1494 C GLN A 100 -1.597 -35.797 0.450 1.00 0.00 C ATOM 1495 O GLN A 100 -2.371 -36.754 0.468 1.00 0.00 O ATOM 1496 CB GLN A 100 -0.891 -34.838 2.647 1.00 0.00 C ATOM 1497 CG GLN A 100 -0.346 -35.322 3.981 1.00 0.00 C ATOM 1498 CD GLN A 100 -1.323 -36.218 4.716 1.00 0.00 C ATOM 1499 OE1 GLN A 100 -1.978 -37.069 4.113 1.00 0.00 O ATOM 1500 NE2 GLN A 100 -1.428 -36.031 6.026 1.00 0.00 N ATOM 0 H GLN A 100 0.861 -34.158 0.946 1.00 0.00 H new ATOM 0 HA GLN A 100 -0.233 -36.707 1.814 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -0.560 -33.813 2.479 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -1.980 -34.818 2.694 1.00 0.00 H new ATOM 0 HG2 GLN A 100 0.585 -35.864 3.814 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -0.106 -34.462 4.606 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -0.866 -35.314 6.486 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -2.070 -36.604 6.573 1.00 0.00 H new ATOM 1509 N LEU A 101 -1.701 -34.807 -0.430 1.00 0.00 N ATOM 1510 CA LEU A 101 -2.755 -34.804 -1.437 1.00 0.00 C ATOM 1511 C LEU A 101 -2.637 -36.038 -2.315 1.00 0.00 C ATOM 1512 O LEU A 101 -3.618 -36.740 -2.561 1.00 0.00 O ATOM 1513 CB LEU A 101 -2.678 -33.549 -2.320 1.00 0.00 C ATOM 1514 CG LEU A 101 -3.502 -32.330 -1.872 1.00 0.00 C ATOM 1515 CD1 LEU A 101 -3.826 -31.448 -3.069 1.00 0.00 C ATOM 1516 CD2 LEU A 101 -4.791 -32.735 -1.158 1.00 0.00 C ATOM 0 H LEU A 101 -1.074 -34.003 -0.467 1.00 0.00 H new ATOM 0 HA LEU A 101 -3.713 -34.807 -0.917 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -1.633 -33.246 -2.388 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -2.996 -33.822 -3.326 1.00 0.00 H new ATOM 0 HG LEU A 101 -2.894 -31.772 -1.159 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -4.410 -30.588 -2.740 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -2.900 -31.103 -3.528 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -4.401 -32.020 -3.797 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -5.339 -31.841 -0.861 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -5.408 -33.331 -1.831 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -4.547 -33.322 -0.273 1.00 0.00 H new ATOM 1528 N THR A 102 -1.423 -36.294 -2.782 1.00 0.00 N ATOM 1529 CA THR A 102 -1.166 -37.446 -3.633 1.00 0.00 C ATOM 1530 C THR A 102 -1.391 -38.735 -2.864 1.00 0.00 C ATOM 1531 O THR A 102 -1.924 -39.708 -3.400 1.00 0.00 O ATOM 1532 CB THR A 102 0.260 -37.405 -4.179 1.00 0.00 C ATOM 1533 OG1 THR A 102 1.065 -36.509 -3.429 1.00 0.00 O ATOM 1534 CG2 THR A 102 0.318 -36.982 -5.627 1.00 0.00 C ATOM 0 H THR A 102 -0.603 -35.721 -2.586 1.00 0.00 H new ATOM 0 HA THR A 102 -1.861 -37.411 -4.472 1.00 0.00 H new ATOM 0 HB THR A 102 0.638 -38.424 -4.095 1.00 0.00 H new ATOM 0 HG1 THR A 102 0.903 -35.591 -3.733 1.00 0.00 H new ATOM 0 HG21 THR A 102 1.355 -36.971 -5.961 1.00 0.00 H new ATOM 0 HG22 THR A 102 -0.252 -37.685 -6.235 1.00 0.00 H new ATOM 0 HG23 THR A 102 -0.108 -35.984 -5.732 1.00 0.00 H new ATOM 1542 N GLU A 103 -0.984 -38.738 -1.603 1.00 0.00 N ATOM 1543 CA GLU A 103 -1.148 -39.912 -0.761 1.00 0.00 C ATOM 1544 C GLU A 103 -2.566 -40.001 -0.204 1.00 0.00 C ATOM 1545 O GLU A 103 -2.933 -40.987 0.435 1.00 0.00 O ATOM 1546 CB GLU A 103 -0.130 -39.905 0.381 1.00 0.00 C ATOM 1547 CG GLU A 103 0.435 -41.279 0.702 1.00 0.00 C ATOM 1548 CD GLU A 103 1.847 -41.465 0.184 1.00 0.00 C ATOM 1549 OE1 GLU A 103 2.768 -40.822 0.728 1.00 0.00 O ATOM 1550 OE2 GLU A 103 2.031 -42.255 -0.767 1.00 0.00 O ATOM 0 H GLU A 103 -0.540 -37.944 -1.143 1.00 0.00 H new ATOM 0 HA GLU A 103 -0.972 -40.791 -1.382 1.00 0.00 H new ATOM 0 HB2 GLU A 103 0.690 -39.236 0.121 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -0.602 -39.498 1.275 1.00 0.00 H new ATOM 0 HG2 GLU A 103 0.426 -41.428 1.782 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -0.210 -42.043 0.269 1.00 0.00 H new ATOM 1557 N ARG A 104 -3.356 -38.964 -0.449 1.00 0.00 N ATOM 1558 CA ARG A 104 -4.734 -38.920 0.027 1.00 0.00 C ATOM 1559 C ARG A 104 -5.718 -39.286 -1.085 1.00 0.00 C ATOM 1560 O ARG A 104 -6.881 -39.591 -0.818 1.00 0.00 O ATOM 1561 CB ARG A 104 -5.057 -37.530 0.580 1.00 0.00 C ATOM 1562 CG ARG A 104 -6.493 -37.379 1.054 1.00 0.00 C ATOM 1563 CD ARG A 104 -6.747 -35.997 1.634 1.00 0.00 C ATOM 1564 NE ARG A 104 -7.510 -36.057 2.877 1.00 0.00 N ATOM 1565 CZ ARG A 104 -6.979 -36.359 4.060 1.00 0.00 C ATOM 1566 NH1 ARG A 104 -5.683 -36.627 4.164 1.00 0.00 N ATOM 1567 NH2 ARG A 104 -7.745 -36.393 5.142 1.00 0.00 N ATOM 0 H ARG A 104 -3.066 -38.140 -0.976 1.00 0.00 H new ATOM 0 HA ARG A 104 -4.838 -39.656 0.824 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -4.385 -37.314 1.411 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -4.859 -36.787 -0.192 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -7.173 -37.555 0.220 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -6.710 -38.136 1.807 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -5.794 -35.500 1.817 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -7.287 -35.392 0.906 1.00 0.00 H new ATOM 0 HE ARG A 104 -8.509 -35.856 2.837 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -5.089 -36.602 3.335 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -5.281 -36.858 5.073 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -8.741 -36.188 5.068 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -7.338 -36.624 6.048 1.00 0.00 H new ATOM 1581 N GLY A 105 -5.248 -39.266 -2.332 1.00 0.00 N ATOM 1582 CA GLY A 105 -6.107 -39.613 -3.451 1.00 0.00 C ATOM 1583 C GLY A 105 -6.679 -38.402 -4.169 1.00 0.00 C ATOM 1584 O GLY A 105 -7.836 -38.416 -4.586 1.00 0.00 O ATOM 0 H GLY A 105 -4.292 -39.017 -2.585 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -5.540 -40.214 -4.162 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -6.927 -40.234 -3.091 1.00 0.00 H new ATOM 1588 N ILE A 106 -5.870 -37.358 -4.321 1.00 0.00 N ATOM 1589 CA ILE A 106 -6.312 -36.145 -5.004 1.00 0.00 C ATOM 1590 C ILE A 106 -5.606 -35.985 -6.351 1.00 0.00 C ATOM 1591 O ILE A 106 -6.100 -35.292 -7.241 1.00 0.00 O ATOM 1592 CB ILE A 106 -6.073 -34.888 -4.136 1.00 0.00 C ATOM 1593 CG1 ILE A 106 -6.987 -34.913 -2.911 1.00 0.00 C ATOM 1594 CG2 ILE A 106 -6.307 -33.618 -4.944 1.00 0.00 C ATOM 1595 CD1 ILE A 106 -6.416 -35.686 -1.744 1.00 0.00 C ATOM 0 H ILE A 106 -4.908 -37.326 -3.982 1.00 0.00 H new ATOM 0 HA ILE A 106 -7.383 -36.247 -5.177 1.00 0.00 H new ATOM 0 HB ILE A 106 -5.035 -34.893 -3.803 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -7.185 -33.889 -2.595 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -7.945 -35.351 -3.192 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -6.133 -32.747 -4.312 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -5.622 -33.594 -5.791 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -7.334 -33.602 -5.308 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -7.119 -35.660 -0.912 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -6.244 -36.720 -2.042 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -5.472 -35.236 -1.436 1.00 0.00 H new ATOM 1607 N THR A 107 -4.450 -36.632 -6.494 1.00 0.00 N ATOM 1608 CA THR A 107 -3.672 -36.571 -7.730 1.00 0.00 C ATOM 1609 C THR A 107 -3.560 -35.142 -8.260 1.00 0.00 C ATOM 1610 O THR A 107 -3.418 -34.927 -9.464 1.00 0.00 O ATOM 1611 CB THR A 107 -4.294 -37.478 -8.797 1.00 0.00 C ATOM 1612 OG1 THR A 107 -3.440 -37.588 -9.921 1.00 0.00 O ATOM 1613 CG2 THR A 107 -5.640 -36.996 -9.291 1.00 0.00 C ATOM 0 H THR A 107 -4.030 -37.208 -5.764 1.00 0.00 H new ATOM 0 HA THR A 107 -2.666 -36.922 -7.500 1.00 0.00 H new ATOM 0 HB THR A 107 -4.432 -38.442 -8.306 1.00 0.00 H new ATOM 0 HG1 THR A 107 -3.106 -36.700 -10.166 1.00 0.00 H new ATOM 0 HG21 THR A 107 -6.020 -37.687 -10.044 1.00 0.00 H new ATOM 0 HG22 THR A 107 -6.339 -36.950 -8.456 1.00 0.00 H new ATOM 0 HG23 THR A 107 -5.533 -36.004 -9.730 1.00 0.00 H new ATOM 1621 N PHE A 108 -3.614 -34.168 -7.356 1.00 0.00 N ATOM 1622 CA PHE A 108 -3.510 -32.761 -7.736 1.00 0.00 C ATOM 1623 C PHE A 108 -4.496 -32.418 -8.858 1.00 0.00 C ATOM 1624 O PHE A 108 -5.475 -33.133 -9.070 1.00 0.00 O ATOM 1625 CB PHE A 108 -2.076 -32.447 -8.170 1.00 0.00 C ATOM 1626 CG PHE A 108 -1.083 -32.486 -7.043 1.00 0.00 C ATOM 1627 CD1 PHE A 108 -0.450 -33.669 -6.699 1.00 0.00 C ATOM 1628 CD2 PHE A 108 -0.778 -31.337 -6.331 1.00 0.00 C ATOM 1629 CE1 PHE A 108 0.467 -33.705 -5.667 1.00 0.00 C ATOM 1630 CE2 PHE A 108 0.137 -31.367 -5.301 1.00 0.00 C ATOM 1631 CZ PHE A 108 0.762 -32.553 -4.967 1.00 0.00 C ATOM 0 H PHE A 108 -3.729 -34.326 -6.355 1.00 0.00 H new ATOM 0 HA PHE A 108 -3.765 -32.149 -6.871 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -1.772 -33.161 -8.935 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -2.053 -31.459 -8.629 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -0.676 -34.574 -7.244 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -1.263 -30.407 -6.586 1.00 0.00 H new ATOM 0 HE1 PHE A 108 0.953 -34.634 -5.408 1.00 0.00 H new ATOM 0 HE2 PHE A 108 0.365 -30.464 -4.755 1.00 0.00 H new ATOM 0 HZ PHE A 108 1.480 -32.578 -4.160 1.00 0.00 H new ATOM 1641 N LYS A 109 -4.236 -31.316 -9.567 1.00 0.00 N ATOM 1642 CA LYS A 109 -5.097 -30.869 -10.661 1.00 0.00 C ATOM 1643 C LYS A 109 -6.569 -30.929 -10.268 1.00 0.00 C ATOM 1644 O LYS A 109 -7.223 -31.962 -10.411 1.00 0.00 O ATOM 1645 CB LYS A 109 -4.850 -31.699 -11.928 1.00 0.00 C ATOM 1646 CG LYS A 109 -4.877 -33.203 -11.704 1.00 0.00 C ATOM 1647 CD LYS A 109 -4.736 -33.960 -13.015 1.00 0.00 C ATOM 1648 CE LYS A 109 -4.694 -35.463 -12.789 1.00 0.00 C ATOM 1649 NZ LYS A 109 -4.153 -36.187 -13.973 1.00 0.00 N ATOM 0 H LYS A 109 -3.430 -30.714 -9.400 1.00 0.00 H new ATOM 0 HA LYS A 109 -4.844 -29.830 -10.873 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -5.604 -31.440 -12.671 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -3.882 -31.423 -12.347 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -4.069 -33.487 -11.029 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -5.812 -33.484 -11.218 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -5.571 -33.713 -13.671 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -3.826 -33.642 -13.524 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -4.078 -35.682 -11.917 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -5.698 -35.825 -12.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -4.141 -37.209 -13.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -4.755 -35.999 -14.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -3.185 -35.860 -14.168 1.00 0.00 H new ATOM 1663 N GLN A 110 -7.083 -29.808 -9.769 1.00 0.00 N ATOM 1664 CA GLN A 110 -8.476 -29.721 -9.349 1.00 0.00 C ATOM 1665 C GLN A 110 -8.785 -28.332 -8.796 1.00 0.00 C ATOM 1666 O GLN A 110 -9.699 -27.654 -9.266 1.00 0.00 O ATOM 1667 CB GLN A 110 -8.779 -30.782 -8.288 1.00 0.00 C ATOM 1668 CG GLN A 110 -10.145 -31.428 -8.445 1.00 0.00 C ATOM 1669 CD GLN A 110 -10.153 -32.879 -8.004 1.00 0.00 C ATOM 1670 OE1 GLN A 110 -10.476 -33.775 -8.784 1.00 0.00 O ATOM 1671 NE2 GLN A 110 -9.797 -33.117 -6.747 1.00 0.00 N ATOM 0 H GLN A 110 -6.553 -28.945 -9.646 1.00 0.00 H new ATOM 0 HA GLN A 110 -9.107 -29.899 -10.220 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -8.013 -31.556 -8.332 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -8.714 -30.325 -7.301 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -10.877 -30.870 -7.861 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -10.455 -31.367 -9.488 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -9.537 -32.343 -6.135 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -9.784 -34.074 -6.393 1.00 0.00 H new ATOM 1680 N SER A 111 -8.015 -27.918 -7.795 1.00 0.00 N ATOM 1681 CA SER A 111 -8.200 -26.611 -7.172 1.00 0.00 C ATOM 1682 C SER A 111 -7.197 -26.404 -6.041 1.00 0.00 C ATOM 1683 O SER A 111 -7.543 -25.898 -4.973 1.00 0.00 O ATOM 1684 CB SER A 111 -9.627 -26.477 -6.636 1.00 0.00 C ATOM 1685 OG SER A 111 -10.154 -25.189 -6.901 1.00 0.00 O ATOM 0 H SER A 111 -7.255 -28.470 -7.397 1.00 0.00 H new ATOM 0 HA SER A 111 -8.031 -25.845 -7.929 1.00 0.00 H new ATOM 0 HB2 SER A 111 -10.263 -27.235 -7.094 1.00 0.00 H new ATOM 0 HB3 SER A 111 -9.634 -26.662 -5.562 1.00 0.00 H new ATOM 0 HG SER A 111 -11.067 -25.130 -6.550 1.00 0.00 H new ATOM 1691 N ALA A 112 -5.949 -26.801 -6.281 1.00 0.00 N ATOM 1692 CA ALA A 112 -4.897 -26.661 -5.282 1.00 0.00 C ATOM 1693 C ALA A 112 -3.554 -26.350 -5.935 1.00 0.00 C ATOM 1694 O ALA A 112 -3.276 -26.798 -7.048 1.00 0.00 O ATOM 1695 CB ALA A 112 -4.801 -27.927 -4.441 1.00 0.00 C ATOM 0 H ALA A 112 -5.644 -27.222 -7.159 1.00 0.00 H new ATOM 0 HA ALA A 112 -5.153 -25.824 -4.633 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -4.012 -27.811 -3.698 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -5.751 -28.102 -3.937 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -4.571 -28.775 -5.086 1.00 0.00 H new ATOM 1701 N THR A 113 -2.724 -25.582 -5.236 1.00 0.00 N ATOM 1702 CA THR A 113 -1.409 -25.212 -5.750 1.00 0.00 C ATOM 1703 C THR A 113 -0.360 -25.256 -4.645 1.00 0.00 C ATOM 1704 O THR A 113 0.388 -26.227 -4.527 1.00 0.00 O ATOM 1705 CB THR A 113 -1.461 -23.820 -6.379 1.00 0.00 C ATOM 1706 OG1 THR A 113 -1.732 -22.832 -5.401 1.00 0.00 O ATOM 1707 CG2 THR A 113 -2.516 -23.702 -7.452 1.00 0.00 C ATOM 0 H THR A 113 -2.938 -25.204 -4.313 1.00 0.00 H new ATOM 0 HA THR A 113 -1.125 -25.934 -6.515 1.00 0.00 H new ATOM 0 HB THR A 113 -0.480 -23.665 -6.827 1.00 0.00 H new ATOM 0 HG1 THR A 113 -1.759 -21.949 -5.826 1.00 0.00 H new ATOM 0 HG21 THR A 113 -2.506 -22.692 -7.862 1.00 0.00 H new ATOM 0 HG22 THR A 113 -2.308 -24.419 -8.247 1.00 0.00 H new ATOM 0 HG23 THR A 113 -3.496 -23.910 -7.023 1.00 0.00 H new ATOM 1715 N LYS A 114 -0.311 -24.206 -3.830 1.00 0.00 N ATOM 1716 CA LYS A 114 0.644 -24.144 -2.732 1.00 0.00 C ATOM 1717 C LYS A 114 0.042 -23.423 -1.534 1.00 0.00 C ATOM 1718 O LYS A 114 -0.043 -23.982 -0.441 1.00 0.00 O ATOM 1719 CB LYS A 114 1.953 -23.477 -3.191 1.00 0.00 C ATOM 1720 CG LYS A 114 2.617 -22.599 -2.139 1.00 0.00 C ATOM 1721 CD LYS A 114 3.898 -21.970 -2.666 1.00 0.00 C ATOM 1722 CE LYS A 114 4.936 -21.816 -1.565 1.00 0.00 C ATOM 1723 NZ LYS A 114 4.346 -21.252 -0.320 1.00 0.00 N ATOM 0 H LYS A 114 -0.919 -23.391 -3.910 1.00 0.00 H new ATOM 0 HA LYS A 114 0.880 -25.161 -2.420 1.00 0.00 H new ATOM 0 HB2 LYS A 114 2.655 -24.254 -3.493 1.00 0.00 H new ATOM 0 HB3 LYS A 114 1.747 -22.872 -4.074 1.00 0.00 H new ATOM 0 HG2 LYS A 114 1.926 -21.815 -1.829 1.00 0.00 H new ATOM 0 HG3 LYS A 114 2.840 -23.195 -1.254 1.00 0.00 H new ATOM 0 HD2 LYS A 114 4.305 -22.587 -3.467 1.00 0.00 H new ATOM 0 HD3 LYS A 114 3.675 -20.994 -3.097 1.00 0.00 H new ATOM 0 HE2 LYS A 114 5.382 -22.787 -1.348 1.00 0.00 H new ATOM 0 HE3 LYS A 114 5.740 -21.167 -1.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 5.094 -20.805 0.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 3.628 -20.541 -0.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 3.903 -22.015 0.231 1.00 0.00 H new ATOM 1737 N ALA A 115 -0.394 -22.193 -1.744 1.00 0.00 N ATOM 1738 CA ALA A 115 -1.009 -21.424 -0.677 1.00 0.00 C ATOM 1739 C ALA A 115 -2.478 -21.797 -0.551 1.00 0.00 C ATOM 1740 O ALA A 115 -3.092 -21.615 0.500 1.00 0.00 O ATOM 1741 CB ALA A 115 -0.853 -19.933 -0.932 1.00 0.00 C ATOM 0 H ALA A 115 -0.334 -21.708 -2.639 1.00 0.00 H new ATOM 0 HA ALA A 115 -0.506 -21.659 0.261 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -1.321 -19.374 -0.121 1.00 0.00 H new ATOM 0 HB2 ALA A 115 0.206 -19.681 -0.982 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -1.333 -19.673 -1.876 1.00 0.00 H new ATOM 1747 N GLU A 116 -3.031 -22.337 -1.632 1.00 0.00 N ATOM 1748 CA GLU A 116 -4.423 -22.757 -1.648 1.00 0.00 C ATOM 1749 C GLU A 116 -4.562 -24.173 -1.117 1.00 0.00 C ATOM 1750 O GLU A 116 -5.519 -24.490 -0.410 1.00 0.00 O ATOM 1751 CB GLU A 116 -4.999 -22.661 -3.062 1.00 0.00 C ATOM 1752 CG GLU A 116 -6.458 -23.078 -3.156 1.00 0.00 C ATOM 1753 CD GLU A 116 -7.391 -22.093 -2.478 1.00 0.00 C ATOM 1754 OE1 GLU A 116 -7.402 -20.911 -2.882 1.00 0.00 O ATOM 1755 OE2 GLU A 116 -8.111 -22.503 -1.544 1.00 0.00 O ATOM 0 H GLU A 116 -2.533 -22.493 -2.509 1.00 0.00 H new ATOM 0 HA GLU A 116 -4.987 -22.088 -0.998 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -4.900 -21.635 -3.417 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -4.407 -23.288 -3.729 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -6.738 -23.174 -4.205 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -6.581 -24.061 -2.702 1.00 0.00 H new ATOM 1762 N LEU A 117 -3.603 -25.023 -1.460 1.00 0.00 N ATOM 1763 CA LEU A 117 -3.632 -26.403 -1.007 1.00 0.00 C ATOM 1764 C LEU A 117 -3.256 -26.480 0.458 1.00 0.00 C ATOM 1765 O LEU A 117 -3.812 -27.280 1.208 1.00 0.00 O ATOM 1766 CB LEU A 117 -2.720 -27.288 -1.874 1.00 0.00 C ATOM 1767 CG LEU A 117 -1.485 -27.893 -1.214 1.00 0.00 C ATOM 1768 CD1 LEU A 117 -1.254 -29.282 -1.773 1.00 0.00 C ATOM 1769 CD2 LEU A 117 -0.274 -27.012 -1.462 1.00 0.00 C ATOM 0 H LEU A 117 -2.803 -24.782 -2.045 1.00 0.00 H new ATOM 0 HA LEU A 117 -4.647 -26.785 -1.115 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -3.323 -28.105 -2.270 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -2.388 -26.695 -2.726 1.00 0.00 H new ATOM 0 HG LEU A 117 -1.642 -27.960 -0.137 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -0.372 -29.720 -1.305 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -2.123 -29.907 -1.566 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -1.100 -29.220 -2.850 1.00 0.00 H new ATOM 0 HD21 LEU A 117 0.601 -27.454 -0.986 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -0.100 -26.927 -2.535 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -0.453 -26.021 -1.044 1.00 0.00 H new ATOM 1781 N ILE A 118 -2.318 -25.638 0.868 1.00 0.00 N ATOM 1782 CA ILE A 118 -1.893 -25.627 2.252 1.00 0.00 C ATOM 1783 C ILE A 118 -3.056 -25.240 3.163 1.00 0.00 C ATOM 1784 O ILE A 118 -3.118 -25.662 4.318 1.00 0.00 O ATOM 1785 CB ILE A 118 -0.681 -24.686 2.486 1.00 0.00 C ATOM 1786 CG1 ILE A 118 -0.115 -24.882 3.898 1.00 0.00 C ATOM 1787 CG2 ILE A 118 -1.038 -23.224 2.248 1.00 0.00 C ATOM 1788 CD1 ILE A 118 -0.927 -24.215 4.990 1.00 0.00 C ATOM 0 H ILE A 118 -1.844 -24.963 0.267 1.00 0.00 H new ATOM 0 HA ILE A 118 -1.568 -26.638 2.499 1.00 0.00 H new ATOM 0 HB ILE A 118 0.085 -24.953 1.758 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -0.053 -25.950 4.108 1.00 0.00 H new ATOM 0 HG13 ILE A 118 0.902 -24.492 3.927 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -0.160 -22.602 2.423 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -1.375 -23.095 1.220 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -1.835 -22.928 2.931 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -0.459 -24.402 5.957 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -0.968 -23.141 4.808 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -1.938 -24.622 4.992 1.00 0.00 H new ATOM 1800 N ALA A 119 -3.989 -24.449 2.630 1.00 0.00 N ATOM 1801 CA ALA A 119 -5.158 -24.023 3.390 1.00 0.00 C ATOM 1802 C ALA A 119 -6.297 -25.037 3.284 1.00 0.00 C ATOM 1803 O ALA A 119 -7.088 -25.199 4.213 1.00 0.00 O ATOM 1804 CB ALA A 119 -5.622 -22.655 2.916 1.00 0.00 C ATOM 0 H ALA A 119 -3.955 -24.092 1.675 1.00 0.00 H new ATOM 0 HA ALA A 119 -4.869 -23.958 4.439 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -6.496 -22.348 3.491 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -4.821 -21.930 3.058 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -5.883 -22.705 1.859 1.00 0.00 H new ATOM 1810 N LEU A 120 -6.388 -25.689 2.129 1.00 0.00 N ATOM 1811 CA LEU A 120 -7.449 -26.663 1.868 1.00 0.00 C ATOM 1812 C LEU A 120 -7.445 -27.826 2.860 1.00 0.00 C ATOM 1813 O LEU A 120 -8.475 -28.133 3.457 1.00 0.00 O ATOM 1814 CB LEU A 120 -7.329 -27.200 0.440 1.00 0.00 C ATOM 1815 CG LEU A 120 -8.662 -27.429 -0.278 1.00 0.00 C ATOM 1816 CD1 LEU A 120 -8.592 -26.923 -1.710 1.00 0.00 C ATOM 1817 CD2 LEU A 120 -9.040 -28.902 -0.250 1.00 0.00 C ATOM 0 H LEU A 120 -5.738 -25.561 1.354 1.00 0.00 H new ATOM 0 HA LEU A 120 -8.396 -26.138 1.992 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -6.733 -26.501 -0.146 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -6.781 -28.142 0.467 1.00 0.00 H new ATOM 0 HG LEU A 120 -9.434 -26.867 0.247 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -9.549 -27.095 -2.204 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -8.371 -25.856 -1.708 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -7.806 -27.455 -2.246 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -9.990 -29.044 -0.765 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -8.266 -29.486 -0.749 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -9.135 -29.234 0.784 1.00 0.00 H new ATOM 1829 N PHE A 121 -6.296 -28.484 3.017 1.00 0.00 N ATOM 1830 CA PHE A 121 -6.176 -29.629 3.922 1.00 0.00 C ATOM 1831 C PHE A 121 -6.875 -29.373 5.253 1.00 0.00 C ATOM 1832 O PHE A 121 -6.274 -28.856 6.194 1.00 0.00 O ATOM 1833 CB PHE A 121 -4.710 -29.960 4.177 1.00 0.00 C ATOM 1834 CG PHE A 121 -4.108 -30.844 3.128 1.00 0.00 C ATOM 1835 CD1 PHE A 121 -4.196 -32.224 3.220 1.00 0.00 C ATOM 1836 CD2 PHE A 121 -3.450 -30.292 2.048 1.00 0.00 C ATOM 1837 CE1 PHE A 121 -3.635 -33.029 2.253 1.00 0.00 C ATOM 1838 CE2 PHE A 121 -2.889 -31.089 1.080 1.00 0.00 C ATOM 1839 CZ PHE A 121 -2.978 -32.459 1.182 1.00 0.00 C ATOM 0 H PHE A 121 -5.433 -28.244 2.529 1.00 0.00 H new ATOM 0 HA PHE A 121 -6.662 -30.474 3.435 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -4.140 -29.033 4.231 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -4.619 -30.447 5.148 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -4.709 -32.673 4.058 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -3.375 -29.218 1.963 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -3.709 -34.103 2.333 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -2.379 -30.641 0.240 1.00 0.00 H new ATOM 0 HZ PHE A 121 -2.534 -33.087 0.424 1.00 0.00 H new