USER MOD reduce.3.24.130724 H: found=0, std=0, add=701, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 701 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 8 GLN : amide:sc= -0.155 K(o=0.038,f=-0.88) USER MOD Set 1.2: A 89 THR OG1 : rot -69:sc= 0.193 USER MOD Set 2.1: A 18 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 20 SER OG : rot 180:sc= -0.0223 USER MOD Set 2.3: A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 79:sc= 0.691 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 106:sc= 1.25 USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0.0421 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 131:sc= 0.196 USER MOD Single : A 40 THR OG1 : rot -170:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 19:sc= 1.24 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot -1:sc= 0.003 USER MOD Single : A 76 SER OG : rot 180:sc= 0.0272 USER MOD Single : A 79 THR OG1 : rot 130:sc= -0.0094 USER MOD Single : A 82 ASN : amide:sc= -0.307 X(o=-0.31,f=-0.7) USER MOD Single : A 86 SER OG : rot -136:sc= 0.733 USER MOD Single : A 90 THR OG1 : rot 180:sc= -0.376 USER MOD Single : A 92 THR OG1 : rot 180:sc= -0.06 USER MOD Single : A 93 GLN : amide:sc= -0.278 X(o=-0.28,f=-0.28) USER MOD Single : A 94 GLN : amide:sc= 0.0607 X(o=0.061,f=0) USER MOD Single : A 95 THR OG1 : rot 79:sc= 1.1 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -22.370 13.634 3.352 1.00 0.00 N ATOM 2 CA MET A 1 -23.838 13.639 3.325 1.00 0.00 C ATOM 3 C MET A 1 -24.342 12.216 3.512 1.00 0.00 C ATOM 4 O MET A 1 -24.734 11.866 4.621 1.00 0.00 O ATOM 5 CB MET A 1 -24.392 14.365 2.089 1.00 0.00 C ATOM 6 CG MET A 1 -25.813 14.869 2.348 1.00 0.00 C ATOM 7 SD MET A 1 -26.625 15.601 0.907 1.00 0.00 S ATOM 8 CE MET A 1 -27.973 16.483 1.734 1.00 0.00 C ATOM 0 H1 MET A 1 -22.017 14.604 3.225 1.00 0.00 H new ATOM 0 H2 MET A 1 -22.041 13.263 4.266 1.00 0.00 H new ATOM 0 H3 MET A 1 -22.011 13.031 2.584 1.00 0.00 H new ATOM 0 HA MET A 1 -24.225 14.225 4.158 1.00 0.00 H new ATOM 0 HB2 MET A 1 -23.745 15.204 1.833 1.00 0.00 H new ATOM 0 HB3 MET A 1 -24.391 13.689 1.234 1.00 0.00 H new ATOM 0 HG2 MET A 1 -26.420 14.038 2.708 1.00 0.00 H new ATOM 0 HG3 MET A 1 -25.782 15.610 3.147 1.00 0.00 H new ATOM 0 HE1 MET A 1 -28.582 16.997 0.990 1.00 0.00 H new ATOM 0 HE2 MET A 1 -28.592 15.772 2.281 1.00 0.00 H new ATOM 0 HE3 MET A 1 -27.558 17.212 2.430 1.00 0.00 H new ATOM 20 N ARG A 2 -24.309 11.371 2.476 1.00 0.00 N ATOM 21 CA ARG A 2 -24.697 9.969 2.574 1.00 0.00 C ATOM 22 C ARG A 2 -24.095 9.239 1.386 1.00 0.00 C ATOM 23 O ARG A 2 -24.195 9.737 0.264 1.00 0.00 O ATOM 24 CB ARG A 2 -26.232 9.824 2.593 1.00 0.00 C ATOM 25 CG ARG A 2 -26.992 10.822 1.701 1.00 0.00 C ATOM 26 CD ARG A 2 -28.481 10.489 1.681 1.00 0.00 C ATOM 27 NE ARG A 2 -29.308 11.644 1.291 1.00 0.00 N ATOM 28 CZ ARG A 2 -29.946 12.481 2.123 1.00 0.00 C ATOM 29 NH1 ARG A 2 -29.771 12.416 3.436 1.00 0.00 N ATOM 30 NH2 ARG A 2 -30.784 13.391 1.643 1.00 0.00 N ATOM 0 H ARG A 2 -24.009 11.648 1.541 1.00 0.00 H new ATOM 0 HA ARG A 2 -24.327 9.539 3.505 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -26.490 8.812 2.281 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -26.580 9.940 3.619 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -26.844 11.836 2.072 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -26.592 10.792 0.687 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -28.658 9.668 0.987 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -28.787 10.143 2.668 1.00 0.00 H new ATOM 0 HE ARG A 2 -29.405 11.825 0.292 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -29.141 11.719 3.833 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -30.267 13.063 4.049 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -30.945 13.456 0.638 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -31.267 14.025 2.279 1.00 0.00 H new ATOM 44 N GLY A 3 -23.495 8.080 1.627 1.00 0.00 N ATOM 45 CA GLY A 3 -22.858 7.233 0.634 1.00 0.00 C ATOM 46 C GLY A 3 -21.515 7.813 0.200 1.00 0.00 C ATOM 47 O GLY A 3 -21.364 9.026 0.028 1.00 0.00 O ATOM 0 H GLY A 3 -23.438 7.689 2.567 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -22.711 6.234 1.044 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -23.510 7.129 -0.233 1.00 0.00 H new ATOM 51 N SER A 4 -20.539 6.934 -0.047 1.00 0.00 N ATOM 52 CA SER A 4 -19.100 7.189 0.070 1.00 0.00 C ATOM 53 C SER A 4 -18.784 7.399 1.553 1.00 0.00 C ATOM 54 O SER A 4 -19.445 8.202 2.213 1.00 0.00 O ATOM 55 CB SER A 4 -18.598 8.356 -0.801 1.00 0.00 C ATOM 56 OG SER A 4 -19.493 8.638 -1.862 1.00 0.00 O ATOM 0 H SER A 4 -20.740 5.980 -0.348 1.00 0.00 H new ATOM 0 HA SER A 4 -18.561 6.324 -0.318 1.00 0.00 H new ATOM 0 HB2 SER A 4 -18.474 9.245 -0.183 1.00 0.00 H new ATOM 0 HB3 SER A 4 -17.617 8.111 -1.207 1.00 0.00 H new ATOM 0 HG SER A 4 -20.251 9.157 -1.521 1.00 0.00 H new ATOM 62 N GLU A 5 -17.783 6.696 2.081 1.00 0.00 N ATOM 63 CA GLU A 5 -17.337 6.900 3.452 1.00 0.00 C ATOM 64 C GLU A 5 -15.975 7.577 3.391 1.00 0.00 C ATOM 65 O GLU A 5 -15.878 8.768 3.689 1.00 0.00 O ATOM 66 CB GLU A 5 -17.399 5.579 4.249 1.00 0.00 C ATOM 67 CG GLU A 5 -18.008 5.750 5.643 1.00 0.00 C ATOM 68 CD GLU A 5 -19.401 6.384 5.606 1.00 0.00 C ATOM 69 OE1 GLU A 5 -20.321 5.843 4.944 1.00 0.00 O ATOM 70 OE2 GLU A 5 -19.562 7.456 6.238 1.00 0.00 O ATOM 0 H GLU A 5 -17.266 5.978 1.575 1.00 0.00 H new ATOM 0 HA GLU A 5 -17.997 7.563 4.012 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -17.985 4.850 3.689 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -16.393 5.172 4.346 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -18.069 4.777 6.130 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -17.348 6.369 6.250 1.00 0.00 H new ATOM 77 N VAL A 6 -14.937 6.883 2.932 1.00 0.00 N ATOM 78 CA VAL A 6 -13.629 7.490 2.734 1.00 0.00 C ATOM 79 C VAL A 6 -13.143 7.054 1.344 1.00 0.00 C ATOM 80 O VAL A 6 -13.333 5.889 0.976 1.00 0.00 O ATOM 81 CB VAL A 6 -12.706 7.077 3.899 1.00 0.00 C ATOM 82 CG1 VAL A 6 -11.276 7.583 3.694 1.00 0.00 C ATOM 83 CG2 VAL A 6 -13.200 7.603 5.259 1.00 0.00 C ATOM 0 H VAL A 6 -14.980 5.893 2.689 1.00 0.00 H new ATOM 0 HA VAL A 6 -13.647 8.580 2.750 1.00 0.00 H new ATOM 0 HB VAL A 6 -12.723 5.987 3.906 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -10.656 7.272 4.535 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -10.871 7.167 2.772 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -11.281 8.671 3.629 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -12.514 7.284 6.044 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -13.242 8.692 5.235 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -14.195 7.206 5.463 1.00 0.00 H new ATOM 93 N PRO A 7 -12.567 7.957 0.532 1.00 0.00 N ATOM 94 CA PRO A 7 -12.010 7.591 -0.763 1.00 0.00 C ATOM 95 C PRO A 7 -10.753 6.747 -0.574 1.00 0.00 C ATOM 96 O PRO A 7 -9.905 7.075 0.263 1.00 0.00 O ATOM 97 CB PRO A 7 -11.678 8.912 -1.449 1.00 0.00 C ATOM 98 CG PRO A 7 -11.430 9.875 -0.290 1.00 0.00 C ATOM 99 CD PRO A 7 -12.406 9.385 0.773 1.00 0.00 C ATOM 0 HA PRO A 7 -12.704 6.996 -1.356 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -10.799 8.821 -2.088 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -12.498 9.251 -2.082 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -10.398 9.831 0.058 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -11.627 10.909 -0.574 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -12.020 9.572 1.775 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -13.361 9.905 0.697 1.00 0.00 H new ATOM 107 N GLN A 8 -10.617 5.677 -1.355 1.00 0.00 N ATOM 108 CA GLN A 8 -9.402 4.883 -1.412 1.00 0.00 C ATOM 109 C GLN A 8 -8.525 5.343 -2.578 1.00 0.00 C ATOM 110 O GLN A 8 -8.967 6.092 -3.449 1.00 0.00 O ATOM 111 CB GLN A 8 -9.769 3.394 -1.449 1.00 0.00 C ATOM 112 CG GLN A 8 -10.082 2.785 -2.823 1.00 0.00 C ATOM 113 CD GLN A 8 -10.854 1.475 -2.662 1.00 0.00 C ATOM 114 OE1 GLN A 8 -12.080 1.473 -2.570 1.00 0.00 O ATOM 115 NE2 GLN A 8 -10.197 0.326 -2.606 1.00 0.00 N ATOM 0 H GLN A 8 -11.357 5.338 -1.970 1.00 0.00 H new ATOM 0 HA GLN A 8 -8.799 5.031 -0.516 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -8.945 2.832 -1.009 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -10.637 3.243 -0.807 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -10.667 3.489 -3.415 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -9.155 2.604 -3.367 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -9.180 0.316 -2.681 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -10.708 -0.549 -2.488 1.00 0.00 H new ATOM 124 N LEU A 9 -7.277 4.876 -2.612 1.00 0.00 N ATOM 125 CA LEU A 9 -6.388 5.100 -3.741 1.00 0.00 C ATOM 126 C LEU A 9 -6.814 4.169 -4.868 1.00 0.00 C ATOM 127 O LEU A 9 -6.223 3.114 -5.074 1.00 0.00 O ATOM 128 CB LEU A 9 -4.923 4.881 -3.336 1.00 0.00 C ATOM 129 CG LEU A 9 -4.372 5.988 -2.423 1.00 0.00 C ATOM 130 CD1 LEU A 9 -3.009 5.540 -1.891 1.00 0.00 C ATOM 131 CD2 LEU A 9 -4.240 7.324 -3.159 1.00 0.00 C ATOM 0 H LEU A 9 -6.859 4.333 -1.857 1.00 0.00 H new ATOM 0 HA LEU A 9 -6.460 6.133 -4.082 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -4.834 3.922 -2.826 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.310 4.823 -4.235 1.00 0.00 H new ATOM 0 HG LEU A 9 -5.071 6.147 -1.602 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.601 6.313 -1.240 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -3.125 4.615 -1.327 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.329 5.373 -2.727 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -3.847 8.078 -2.477 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -3.560 7.209 -4.003 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.219 7.638 -3.522 1.00 0.00 H new ATOM 143 N THR A 10 -7.850 4.549 -5.602 1.00 0.00 N ATOM 144 CA THR A 10 -8.318 3.797 -6.755 1.00 0.00 C ATOM 145 C THR A 10 -7.256 3.825 -7.879 1.00 0.00 C ATOM 146 O THR A 10 -7.224 2.932 -8.730 1.00 0.00 O ATOM 147 CB THR A 10 -9.697 4.352 -7.163 1.00 0.00 C ATOM 148 OG1 THR A 10 -10.541 4.471 -6.029 1.00 0.00 O ATOM 149 CG2 THR A 10 -10.430 3.447 -8.157 1.00 0.00 C ATOM 0 H THR A 10 -8.392 5.392 -5.413 1.00 0.00 H new ATOM 0 HA THR A 10 -8.452 2.741 -6.521 1.00 0.00 H new ATOM 0 HB THR A 10 -9.497 5.319 -7.625 1.00 0.00 H new ATOM 0 HG1 THR A 10 -11.412 4.826 -6.305 1.00 0.00 H new ATOM 0 HG21 THR A 10 -11.395 3.888 -8.408 1.00 0.00 H new ATOM 0 HG22 THR A 10 -9.832 3.342 -9.063 1.00 0.00 H new ATOM 0 HG23 THR A 10 -10.586 2.466 -7.709 1.00 0.00 H new ATOM 157 N ASP A 11 -6.333 4.795 -7.875 1.00 0.00 N ATOM 158 CA ASP A 11 -5.199 4.876 -8.805 1.00 0.00 C ATOM 159 C ASP A 11 -3.978 4.052 -8.343 1.00 0.00 C ATOM 160 O ASP A 11 -2.900 4.171 -8.922 1.00 0.00 O ATOM 161 CB ASP A 11 -4.835 6.354 -9.021 1.00 0.00 C ATOM 162 CG ASP A 11 -4.065 6.644 -10.315 1.00 0.00 C ATOM 163 OD1 ASP A 11 -3.860 5.744 -11.162 1.00 0.00 O ATOM 164 OD2 ASP A 11 -3.694 7.822 -10.527 1.00 0.00 O ATOM 0 H ASP A 11 -6.355 5.566 -7.207 1.00 0.00 H new ATOM 0 HA ASP A 11 -5.505 4.431 -9.752 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -5.752 6.943 -9.021 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -4.237 6.694 -8.175 1.00 0.00 H new ATOM 169 N LEU A 12 -4.106 3.254 -7.273 1.00 0.00 N ATOM 170 CA LEU A 12 -3.031 2.416 -6.734 1.00 0.00 C ATOM 171 C LEU A 12 -2.614 1.361 -7.756 1.00 0.00 C ATOM 172 O LEU A 12 -3.426 0.512 -8.137 1.00 0.00 O ATOM 173 CB LEU A 12 -3.491 1.774 -5.407 1.00 0.00 C ATOM 174 CG LEU A 12 -2.487 0.934 -4.590 1.00 0.00 C ATOM 175 CD1 LEU A 12 -2.172 -0.454 -5.165 1.00 0.00 C ATOM 176 CD2 LEU A 12 -1.199 1.715 -4.312 1.00 0.00 C ATOM 0 H LEU A 12 -4.978 3.173 -6.750 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.156 3.033 -6.529 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.850 2.576 -4.762 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -4.347 1.137 -5.630 1.00 0.00 H new ATOM 0 HG LEU A 12 -3.002 0.739 -3.649 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.458 -0.962 -4.518 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.089 -1.040 -5.224 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.745 -0.346 -6.162 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.514 1.094 -3.735 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.730 1.991 -5.256 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.435 2.617 -3.747 1.00 0.00 H new ATOM 188 N SER A 13 -1.344 1.374 -8.152 1.00 0.00 N ATOM 189 CA SER A 13 -0.692 0.301 -8.884 1.00 0.00 C ATOM 190 C SER A 13 0.700 0.023 -8.330 1.00 0.00 C ATOM 191 O SER A 13 1.245 0.821 -7.565 1.00 0.00 O ATOM 192 CB SER A 13 -0.696 0.599 -10.391 1.00 0.00 C ATOM 193 OG SER A 13 -0.428 1.950 -10.740 1.00 0.00 O ATOM 0 H SER A 13 -0.722 2.161 -7.964 1.00 0.00 H new ATOM 0 HA SER A 13 -1.259 -0.619 -8.744 1.00 0.00 H new ATOM 0 HB2 SER A 13 0.045 -0.038 -10.873 1.00 0.00 H new ATOM 0 HB3 SER A 13 -1.668 0.321 -10.798 1.00 0.00 H new ATOM 0 HG SER A 13 -0.449 2.046 -11.715 1.00 0.00 H new ATOM 199 N PHE A 14 1.279 -1.122 -8.697 1.00 0.00 N ATOM 200 CA PHE A 14 2.676 -1.435 -8.457 1.00 0.00 C ATOM 201 C PHE A 14 3.385 -1.398 -9.810 1.00 0.00 C ATOM 202 O PHE A 14 2.762 -1.660 -10.844 1.00 0.00 O ATOM 203 CB PHE A 14 2.791 -2.807 -7.786 1.00 0.00 C ATOM 204 CG PHE A 14 2.071 -3.018 -6.462 1.00 0.00 C ATOM 205 CD1 PHE A 14 1.739 -1.950 -5.600 1.00 0.00 C ATOM 206 CD2 PHE A 14 1.762 -4.335 -6.073 1.00 0.00 C ATOM 207 CE1 PHE A 14 1.060 -2.202 -4.393 1.00 0.00 C ATOM 208 CE2 PHE A 14 1.104 -4.577 -4.858 1.00 0.00 C ATOM 209 CZ PHE A 14 0.718 -3.507 -4.040 1.00 0.00 C ATOM 0 H PHE A 14 0.775 -1.867 -9.178 1.00 0.00 H new ATOM 0 HA PHE A 14 3.141 -0.715 -7.784 1.00 0.00 H new ATOM 0 HB2 PHE A 14 2.423 -3.554 -8.489 1.00 0.00 H new ATOM 0 HB3 PHE A 14 3.849 -3.013 -7.627 1.00 0.00 H new ATOM 0 HD1 PHE A 14 2.006 -0.938 -5.867 1.00 0.00 H new ATOM 0 HD2 PHE A 14 2.033 -5.162 -6.712 1.00 0.00 H new ATOM 0 HE1 PHE A 14 0.803 -1.382 -3.738 1.00 0.00 H new ATOM 0 HE2 PHE A 14 0.894 -5.591 -4.552 1.00 0.00 H new ATOM 0 HZ PHE A 14 0.156 -3.693 -3.137 1.00 0.00 H new ATOM 219 N VAL A 15 4.676 -1.087 -9.808 1.00 0.00 N ATOM 220 CA VAL A 15 5.519 -0.943 -10.989 1.00 0.00 C ATOM 221 C VAL A 15 6.917 -1.452 -10.619 1.00 0.00 C ATOM 222 O VAL A 15 7.197 -1.649 -9.440 1.00 0.00 O ATOM 223 CB VAL A 15 5.556 0.538 -11.441 1.00 0.00 C ATOM 224 CG1 VAL A 15 4.350 0.879 -12.326 1.00 0.00 C ATOM 225 CG2 VAL A 15 5.651 1.562 -10.293 1.00 0.00 C ATOM 0 H VAL A 15 5.188 -0.920 -8.942 1.00 0.00 H new ATOM 0 HA VAL A 15 5.125 -1.521 -11.825 1.00 0.00 H new ATOM 0 HB VAL A 15 6.482 0.624 -12.010 1.00 0.00 H new ATOM 0 HG11 VAL A 15 4.404 1.925 -12.627 1.00 0.00 H new ATOM 0 HG12 VAL A 15 4.359 0.245 -13.213 1.00 0.00 H new ATOM 0 HG13 VAL A 15 3.429 0.709 -11.768 1.00 0.00 H new ATOM 0 HG21 VAL A 15 5.671 2.571 -10.706 1.00 0.00 H new ATOM 0 HG22 VAL A 15 4.786 1.455 -9.638 1.00 0.00 H new ATOM 0 HG23 VAL A 15 6.563 1.385 -9.722 1.00 0.00 H new ATOM 235 N ASP A 16 7.802 -1.636 -11.601 1.00 0.00 N ATOM 236 CA ASP A 16 9.174 -2.121 -11.454 1.00 0.00 C ATOM 237 C ASP A 16 9.239 -3.275 -10.463 1.00 0.00 C ATOM 238 O ASP A 16 9.881 -3.193 -9.416 1.00 0.00 O ATOM 239 CB ASP A 16 10.163 -0.978 -11.154 1.00 0.00 C ATOM 240 CG ASP A 16 10.534 -0.280 -12.451 1.00 0.00 C ATOM 241 OD1 ASP A 16 11.309 -0.876 -13.238 1.00 0.00 O ATOM 242 OD2 ASP A 16 9.934 0.777 -12.759 1.00 0.00 O ATOM 0 H ASP A 16 7.566 -1.439 -12.574 1.00 0.00 H new ATOM 0 HA ASP A 16 9.500 -2.526 -12.412 1.00 0.00 H new ATOM 0 HB2 ASP A 16 9.715 -0.267 -10.460 1.00 0.00 H new ATOM 0 HB3 ASP A 16 11.057 -1.373 -10.672 1.00 0.00 H new ATOM 247 N ILE A 17 8.536 -4.353 -10.807 1.00 0.00 N ATOM 248 CA ILE A 17 8.383 -5.567 -10.017 1.00 0.00 C ATOM 249 C ILE A 17 9.641 -6.444 -10.219 1.00 0.00 C ATOM 250 O ILE A 17 9.572 -7.566 -10.729 1.00 0.00 O ATOM 251 CB ILE A 17 7.064 -6.268 -10.435 1.00 0.00 C ATOM 252 CG1 ILE A 17 5.833 -5.358 -10.677 1.00 0.00 C ATOM 253 CG2 ILE A 17 6.690 -7.372 -9.433 1.00 0.00 C ATOM 254 CD1 ILE A 17 5.318 -4.595 -9.462 1.00 0.00 C ATOM 0 H ILE A 17 8.032 -4.402 -11.692 1.00 0.00 H new ATOM 0 HA ILE A 17 8.306 -5.357 -8.950 1.00 0.00 H new ATOM 0 HB ILE A 17 7.304 -6.679 -11.416 1.00 0.00 H new ATOM 0 HG12 ILE A 17 6.086 -4.637 -11.454 1.00 0.00 H new ATOM 0 HG13 ILE A 17 5.022 -5.973 -11.066 1.00 0.00 H new ATOM 0 HG21 ILE A 17 5.762 -7.849 -9.747 1.00 0.00 H new ATOM 0 HG22 ILE A 17 7.486 -8.116 -9.397 1.00 0.00 H new ATOM 0 HG23 ILE A 17 6.557 -6.935 -8.443 1.00 0.00 H new ATOM 0 HD11 ILE A 17 4.456 -3.992 -9.749 1.00 0.00 H new ATOM 0 HD12 ILE A 17 5.024 -5.302 -8.686 1.00 0.00 H new ATOM 0 HD13 ILE A 17 6.105 -3.944 -9.081 1.00 0.00 H new ATOM 266 N THR A 18 10.807 -5.880 -9.915 1.00 0.00 N ATOM 267 CA THR A 18 12.105 -6.547 -9.997 1.00 0.00 C ATOM 268 C THR A 18 12.389 -7.345 -8.710 1.00 0.00 C ATOM 269 O THR A 18 11.703 -7.197 -7.701 1.00 0.00 O ATOM 270 CB THR A 18 13.168 -5.487 -10.361 1.00 0.00 C ATOM 271 OG1 THR A 18 14.436 -6.049 -10.621 1.00 0.00 O ATOM 272 CG2 THR A 18 13.319 -4.374 -9.327 1.00 0.00 C ATOM 0 H THR A 18 10.877 -4.914 -9.594 1.00 0.00 H new ATOM 0 HA THR A 18 12.124 -7.299 -10.786 1.00 0.00 H new ATOM 0 HB THR A 18 12.779 -5.041 -11.276 1.00 0.00 H new ATOM 0 HG1 THR A 18 15.069 -5.336 -10.847 1.00 0.00 H new ATOM 0 HG21 THR A 18 14.084 -3.672 -9.658 1.00 0.00 H new ATOM 0 HG22 THR A 18 12.370 -3.850 -9.215 1.00 0.00 H new ATOM 0 HG23 THR A 18 13.611 -4.804 -8.369 1.00 0.00 H new ATOM 280 N ASP A 19 13.453 -8.157 -8.717 1.00 0.00 N ATOM 281 CA ASP A 19 13.831 -9.089 -7.636 1.00 0.00 C ATOM 282 C ASP A 19 14.426 -8.355 -6.421 1.00 0.00 C ATOM 283 O ASP A 19 14.954 -8.988 -5.501 1.00 0.00 O ATOM 284 CB ASP A 19 14.904 -10.121 -8.089 1.00 0.00 C ATOM 285 CG ASP A 19 14.982 -10.471 -9.573 1.00 0.00 C ATOM 286 OD1 ASP A 19 15.322 -9.569 -10.379 1.00 0.00 O ATOM 287 OD2 ASP A 19 14.826 -11.653 -9.955 1.00 0.00 O ATOM 0 H ASP A 19 14.102 -8.188 -9.503 1.00 0.00 H new ATOM 0 HA ASP A 19 12.902 -9.593 -7.371 1.00 0.00 H new ATOM 0 HB2 ASP A 19 15.880 -9.744 -7.783 1.00 0.00 H new ATOM 0 HB3 ASP A 19 14.732 -11.045 -7.537 1.00 0.00 H new ATOM 292 N SER A 20 14.479 -7.024 -6.472 1.00 0.00 N ATOM 293 CA SER A 20 15.286 -6.171 -5.615 1.00 0.00 C ATOM 294 C SER A 20 14.508 -5.083 -4.880 1.00 0.00 C ATOM 295 O SER A 20 14.955 -4.574 -3.851 1.00 0.00 O ATOM 296 CB SER A 20 16.430 -5.653 -6.497 1.00 0.00 C ATOM 297 OG SER A 20 15.941 -4.692 -7.413 1.00 0.00 O ATOM 0 H SER A 20 13.931 -6.490 -7.147 1.00 0.00 H new ATOM 0 HA SER A 20 15.679 -6.742 -4.774 1.00 0.00 H new ATOM 0 HB2 SER A 20 17.208 -5.211 -5.875 1.00 0.00 H new ATOM 0 HB3 SER A 20 16.887 -6.482 -7.037 1.00 0.00 H new ATOM 0 HG SER A 20 16.678 -4.366 -7.970 1.00 0.00 H new ATOM 303 N SER A 21 13.289 -4.818 -5.334 1.00 0.00 N ATOM 304 CA SER A 21 12.359 -3.864 -4.784 1.00 0.00 C ATOM 305 C SER A 21 11.074 -3.932 -5.599 1.00 0.00 C ATOM 306 O SER A 21 11.133 -4.231 -6.795 1.00 0.00 O ATOM 307 CB SER A 21 12.954 -2.437 -4.772 1.00 0.00 C ATOM 308 OG SER A 21 13.733 -2.075 -5.901 1.00 0.00 O ATOM 0 H SER A 21 12.908 -5.299 -6.149 1.00 0.00 H new ATOM 0 HA SER A 21 12.146 -4.112 -3.744 1.00 0.00 H new ATOM 0 HB2 SER A 21 12.134 -1.725 -4.678 1.00 0.00 H new ATOM 0 HB3 SER A 21 13.572 -2.331 -3.881 1.00 0.00 H new ATOM 0 HG SER A 21 14.058 -1.157 -5.793 1.00 0.00 H new ATOM 314 N ILE A 22 9.941 -3.574 -4.995 1.00 0.00 N ATOM 315 CA ILE A 22 8.691 -3.351 -5.709 1.00 0.00 C ATOM 316 C ILE A 22 8.443 -1.846 -5.685 1.00 0.00 C ATOM 317 O ILE A 22 8.579 -1.192 -4.646 1.00 0.00 O ATOM 318 CB ILE A 22 7.550 -4.218 -5.117 1.00 0.00 C ATOM 319 CG1 ILE A 22 6.459 -4.465 -6.171 1.00 0.00 C ATOM 320 CG2 ILE A 22 6.947 -3.649 -3.826 1.00 0.00 C ATOM 321 CD1 ILE A 22 5.280 -5.321 -5.669 1.00 0.00 C ATOM 0 H ILE A 22 9.868 -3.430 -3.988 1.00 0.00 H new ATOM 0 HA ILE A 22 8.738 -3.673 -6.749 1.00 0.00 H new ATOM 0 HB ILE A 22 8.004 -5.169 -4.837 1.00 0.00 H new ATOM 0 HG12 ILE A 22 6.076 -3.504 -6.514 1.00 0.00 H new ATOM 0 HG13 ILE A 22 6.908 -4.955 -7.035 1.00 0.00 H new ATOM 0 HG21 ILE A 22 6.156 -4.310 -3.472 1.00 0.00 H new ATOM 0 HG22 ILE A 22 7.723 -3.572 -3.065 1.00 0.00 H new ATOM 0 HG23 ILE A 22 6.533 -2.660 -4.023 1.00 0.00 H new ATOM 0 HD11 ILE A 22 4.555 -5.448 -6.473 1.00 0.00 H new ATOM 0 HD12 ILE A 22 5.648 -6.298 -5.354 1.00 0.00 H new ATOM 0 HD13 ILE A 22 4.803 -4.823 -4.825 1.00 0.00 H new ATOM 333 N GLY A 23 8.115 -1.275 -6.835 1.00 0.00 N ATOM 334 CA GLY A 23 7.679 0.100 -6.932 1.00 0.00 C ATOM 335 C GLY A 23 6.169 0.168 -6.750 1.00 0.00 C ATOM 336 O GLY A 23 5.449 -0.806 -6.980 1.00 0.00 O ATOM 0 H GLY A 23 8.146 -1.762 -7.731 1.00 0.00 H new ATOM 0 HA2 GLY A 23 8.175 0.704 -6.173 1.00 0.00 H new ATOM 0 HA3 GLY A 23 7.958 0.514 -7.901 1.00 0.00 H new ATOM 340 N LEU A 24 5.672 1.340 -6.372 1.00 0.00 N ATOM 341 CA LEU A 24 4.265 1.670 -6.239 1.00 0.00 C ATOM 342 C LEU A 24 4.019 2.996 -6.922 1.00 0.00 C ATOM 343 O LEU A 24 4.887 3.879 -6.925 1.00 0.00 O ATOM 344 CB LEU A 24 3.848 1.846 -4.785 1.00 0.00 C ATOM 345 CG LEU A 24 3.959 0.565 -3.949 1.00 0.00 C ATOM 346 CD1 LEU A 24 5.176 0.646 -3.042 1.00 0.00 C ATOM 347 CD2 LEU A 24 2.723 0.396 -3.072 1.00 0.00 C ATOM 0 H LEU A 24 6.277 2.127 -6.138 1.00 0.00 H new ATOM 0 HA LEU A 24 3.695 0.852 -6.679 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.467 2.620 -4.331 1.00 0.00 H new ATOM 0 HB3 LEU A 24 2.818 2.202 -4.753 1.00 0.00 H new ATOM 0 HG LEU A 24 4.048 -0.281 -4.631 1.00 0.00 H new ATOM 0 HD11 LEU A 24 5.250 -0.266 -2.450 1.00 0.00 H new ATOM 0 HD12 LEU A 24 6.075 0.759 -3.648 1.00 0.00 H new ATOM 0 HD13 LEU A 24 5.077 1.503 -2.376 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.816 -0.517 -2.484 1.00 0.00 H new ATOM 0 HD22 LEU A 24 2.633 1.251 -2.402 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.836 0.333 -3.702 1.00 0.00 H new ATOM 359 N ARG A 25 2.791 3.172 -7.399 1.00 0.00 N ATOM 360 CA ARG A 25 2.312 4.421 -7.941 1.00 0.00 C ATOM 361 C ARG A 25 0.891 4.629 -7.438 1.00 0.00 C ATOM 362 O ARG A 25 0.145 3.658 -7.325 1.00 0.00 O ATOM 363 CB ARG A 25 2.357 4.291 -9.467 1.00 0.00 C ATOM 364 CG ARG A 25 2.221 5.651 -10.133 1.00 0.00 C ATOM 365 CD ARG A 25 2.044 5.482 -11.643 1.00 0.00 C ATOM 366 NE ARG A 25 2.090 6.791 -12.295 1.00 0.00 N ATOM 367 CZ ARG A 25 1.223 7.791 -12.109 1.00 0.00 C ATOM 368 NH1 ARG A 25 0.028 7.592 -11.556 1.00 0.00 N ATOM 369 NH2 ARG A 25 1.569 9.016 -12.464 1.00 0.00 N ATOM 0 H ARG A 25 2.092 2.429 -7.416 1.00 0.00 H new ATOM 0 HA ARG A 25 2.914 5.277 -7.636 1.00 0.00 H new ATOM 0 HB2 ARG A 25 3.296 3.826 -9.769 1.00 0.00 H new ATOM 0 HB3 ARG A 25 1.554 3.635 -9.804 1.00 0.00 H new ATOM 0 HG2 ARG A 25 1.367 6.185 -9.716 1.00 0.00 H new ATOM 0 HG3 ARG A 25 3.105 6.255 -9.928 1.00 0.00 H new ATOM 0 HD2 ARG A 25 2.829 4.839 -12.041 1.00 0.00 H new ATOM 0 HD3 ARG A 25 1.093 4.993 -11.855 1.00 0.00 H new ATOM 0 HE ARG A 25 2.853 6.955 -12.951 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -0.248 6.655 -11.261 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -0.611 8.376 -11.428 1.00 0.00 H new ATOM 0 HH21 ARG A 25 2.487 9.188 -12.874 1.00 0.00 H new ATOM 0 HH22 ARG A 25 0.918 9.789 -12.328 1.00 0.00 H new ATOM 383 N TRP A 26 0.498 5.865 -7.150 1.00 0.00 N ATOM 384 CA TRP A 26 -0.893 6.237 -6.925 1.00 0.00 C ATOM 385 C TRP A 26 -1.066 7.739 -7.205 1.00 0.00 C ATOM 386 O TRP A 26 -0.153 8.393 -7.712 1.00 0.00 O ATOM 387 CB TRP A 26 -1.332 5.782 -5.520 1.00 0.00 C ATOM 388 CG TRP A 26 -0.568 6.332 -4.355 1.00 0.00 C ATOM 389 CD1 TRP A 26 -0.835 7.494 -3.717 1.00 0.00 C ATOM 390 CD2 TRP A 26 0.531 5.715 -3.609 1.00 0.00 C ATOM 391 NE1 TRP A 26 0.047 7.665 -2.681 1.00 0.00 N ATOM 392 CE2 TRP A 26 0.919 6.614 -2.575 1.00 0.00 C ATOM 393 CE3 TRP A 26 1.212 4.476 -3.639 1.00 0.00 C ATOM 394 CZ2 TRP A 26 1.943 6.331 -1.664 1.00 0.00 C ATOM 395 CZ3 TRP A 26 2.261 4.196 -2.744 1.00 0.00 C ATOM 396 CH2 TRP A 26 2.646 5.122 -1.767 1.00 0.00 C ATOM 0 H TRP A 26 1.147 6.648 -7.065 1.00 0.00 H new ATOM 0 HA TRP A 26 -1.562 5.725 -7.616 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -2.382 6.046 -5.391 1.00 0.00 H new ATOM 0 HB3 TRP A 26 -1.270 4.694 -5.482 1.00 0.00 H new ATOM 0 HD1 TRP A 26 -1.623 8.183 -3.983 1.00 0.00 H new ATOM 0 HE1 TRP A 26 0.053 8.477 -2.064 1.00 0.00 H new ATOM 0 HE3 TRP A 26 0.921 3.730 -4.363 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 2.190 7.039 -0.887 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 2.778 3.250 -2.812 1.00 0.00 H new ATOM 0 HH2 TRP A 26 3.471 4.909 -1.103 1.00 0.00 H new ATOM 407 N THR A 27 -2.246 8.298 -6.934 1.00 0.00 N ATOM 408 CA THR A 27 -2.536 9.724 -7.043 1.00 0.00 C ATOM 409 C THR A 27 -2.678 10.250 -5.617 1.00 0.00 C ATOM 410 O THR A 27 -3.613 9.845 -4.927 1.00 0.00 O ATOM 411 CB THR A 27 -3.745 9.990 -7.956 1.00 0.00 C ATOM 412 OG1 THR A 27 -3.246 10.110 -9.272 1.00 0.00 O ATOM 413 CG2 THR A 27 -4.515 11.281 -7.642 1.00 0.00 C ATOM 0 H THR A 27 -3.050 7.752 -6.623 1.00 0.00 H new ATOM 0 HA THR A 27 -1.730 10.269 -7.535 1.00 0.00 H new ATOM 0 HB THR A 27 -4.443 9.166 -7.810 1.00 0.00 H new ATOM 0 HG1 THR A 27 -3.470 9.303 -9.781 1.00 0.00 H new ATOM 0 HG21 THR A 27 -5.349 11.385 -8.336 1.00 0.00 H new ATOM 0 HG22 THR A 27 -4.895 11.239 -6.621 1.00 0.00 H new ATOM 0 HG23 THR A 27 -3.848 12.137 -7.746 1.00 0.00 H new ATOM 421 N PRO A 28 -1.699 11.010 -5.099 1.00 0.00 N ATOM 422 CA PRO A 28 -1.754 11.486 -3.735 1.00 0.00 C ATOM 423 C PRO A 28 -2.934 12.439 -3.568 1.00 0.00 C ATOM 424 O PRO A 28 -3.151 13.369 -4.352 1.00 0.00 O ATOM 425 CB PRO A 28 -0.415 12.159 -3.461 1.00 0.00 C ATOM 426 CG PRO A 28 0.068 12.597 -4.839 1.00 0.00 C ATOM 427 CD PRO A 28 -0.570 11.599 -5.803 1.00 0.00 C ATOM 0 HA PRO A 28 -1.911 10.679 -3.019 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -0.526 13.009 -2.788 1.00 0.00 H new ATOM 0 HB3 PRO A 28 0.288 11.471 -2.992 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -0.242 13.618 -5.062 1.00 0.00 H new ATOM 0 HG3 PRO A 28 1.156 12.572 -4.905 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -0.898 12.097 -6.716 1.00 0.00 H new ATOM 0 HD3 PRO A 28 0.146 10.832 -6.098 1.00 0.00 H new ATOM 435 N LEU A 29 -3.707 12.193 -2.520 1.00 0.00 N ATOM 436 CA LEU A 29 -4.758 13.070 -2.059 1.00 0.00 C ATOM 437 C LEU A 29 -4.058 14.131 -1.234 1.00 0.00 C ATOM 438 O LEU A 29 -3.595 13.828 -0.135 1.00 0.00 O ATOM 439 CB LEU A 29 -5.849 12.325 -1.262 1.00 0.00 C ATOM 440 CG LEU A 29 -6.303 11.014 -1.937 1.00 0.00 C ATOM 441 CD1 LEU A 29 -5.886 9.787 -1.129 1.00 0.00 C ATOM 442 CD2 LEU A 29 -7.808 10.972 -2.215 1.00 0.00 C ATOM 0 H LEU A 29 -3.612 11.350 -1.954 1.00 0.00 H new ATOM 0 HA LEU A 29 -5.302 13.509 -2.895 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -5.472 12.101 -0.264 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -6.711 12.980 -1.138 1.00 0.00 H new ATOM 0 HG LEU A 29 -5.793 10.991 -2.900 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -6.224 8.884 -1.638 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -4.800 9.765 -1.035 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -6.335 9.835 -0.137 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -8.064 10.025 -2.690 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -8.354 11.066 -1.276 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -8.079 11.795 -2.877 1.00 0.00 H new ATOM 454 N ASN A 30 -3.958 15.354 -1.758 1.00 0.00 N ATOM 455 CA ASN A 30 -3.360 16.519 -1.086 1.00 0.00 C ATOM 456 C ASN A 30 -4.294 17.026 0.030 1.00 0.00 C ATOM 457 O ASN A 30 -4.553 18.226 0.159 1.00 0.00 O ATOM 458 CB ASN A 30 -3.031 17.631 -2.103 1.00 0.00 C ATOM 459 CG ASN A 30 -2.151 17.141 -3.244 1.00 0.00 C ATOM 460 OD1 ASN A 30 -2.664 16.854 -4.323 1.00 0.00 O ATOM 461 ND2 ASN A 30 -0.858 16.996 -3.031 1.00 0.00 N ATOM 0 H ASN A 30 -4.301 15.573 -2.693 1.00 0.00 H new ATOM 0 HA ASN A 30 -2.420 16.215 -0.625 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -3.959 18.031 -2.511 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -2.530 18.451 -1.589 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -0.256 16.637 -3.772 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -0.460 17.242 -2.125 1.00 0.00 H new ATOM 468 N SER A 31 -4.860 16.100 0.798 1.00 0.00 N ATOM 469 CA SER A 31 -5.933 16.237 1.771 1.00 0.00 C ATOM 470 C SER A 31 -5.501 16.807 3.128 1.00 0.00 C ATOM 471 O SER A 31 -6.314 16.794 4.054 1.00 0.00 O ATOM 472 CB SER A 31 -6.678 14.901 1.856 1.00 0.00 C ATOM 473 OG SER A 31 -7.464 14.761 0.690 1.00 0.00 O ATOM 0 H SER A 31 -4.542 15.132 0.746 1.00 0.00 H new ATOM 0 HA SER A 31 -6.622 17.006 1.420 1.00 0.00 H new ATOM 0 HB2 SER A 31 -5.971 14.076 1.940 1.00 0.00 H new ATOM 0 HB3 SER A 31 -7.308 14.872 2.745 1.00 0.00 H new ATOM 0 HG SER A 31 -7.949 13.910 0.723 1.00 0.00 H new ATOM 479 N SER A 32 -4.244 17.244 3.252 1.00 0.00 N ATOM 480 CA SER A 32 -3.688 18.108 4.294 1.00 0.00 C ATOM 481 C SER A 32 -3.769 17.532 5.710 1.00 0.00 C ATOM 482 O SER A 32 -2.780 17.019 6.222 1.00 0.00 O ATOM 483 CB SER A 32 -4.242 19.534 4.151 1.00 0.00 C ATOM 484 OG SER A 32 -5.649 19.650 4.299 1.00 0.00 O ATOM 0 H SER A 32 -3.533 16.980 2.570 1.00 0.00 H new ATOM 0 HA SER A 32 -2.611 18.160 4.131 1.00 0.00 H new ATOM 0 HB2 SER A 32 -3.760 20.171 4.893 1.00 0.00 H new ATOM 0 HB3 SER A 32 -3.962 19.919 3.171 1.00 0.00 H new ATOM 0 HG SER A 32 -5.913 20.588 4.195 1.00 0.00 H new ATOM 490 N THR A 33 -4.941 17.556 6.330 1.00 0.00 N ATOM 491 CA THR A 33 -5.271 16.871 7.571 1.00 0.00 C ATOM 492 C THR A 33 -5.253 15.333 7.419 1.00 0.00 C ATOM 493 O THR A 33 -5.365 14.605 8.412 1.00 0.00 O ATOM 494 CB THR A 33 -6.610 17.473 8.038 1.00 0.00 C ATOM 495 OG1 THR A 33 -6.404 18.280 9.180 1.00 0.00 O ATOM 496 CG2 THR A 33 -7.743 16.501 8.344 1.00 0.00 C ATOM 0 H THR A 33 -5.731 18.084 5.959 1.00 0.00 H new ATOM 0 HA THR A 33 -4.519 17.030 8.344 1.00 0.00 H new ATOM 0 HB THR A 33 -6.945 18.037 7.168 1.00 0.00 H new ATOM 0 HG1 THR A 33 -7.259 18.661 9.470 1.00 0.00 H new ATOM 0 HG21 THR A 33 -8.625 17.058 8.661 1.00 0.00 H new ATOM 0 HG22 THR A 33 -7.980 15.925 7.449 1.00 0.00 H new ATOM 0 HG23 THR A 33 -7.436 15.823 9.141 1.00 0.00 H new ATOM 504 N ILE A 34 -5.098 14.813 6.197 1.00 0.00 N ATOM 505 CA ILE A 34 -4.648 13.453 5.936 1.00 0.00 C ATOM 506 C ILE A 34 -3.455 13.109 6.846 1.00 0.00 C ATOM 507 O ILE A 34 -2.620 13.972 7.147 1.00 0.00 O ATOM 508 CB ILE A 34 -4.342 13.302 4.429 1.00 0.00 C ATOM 509 CG1 ILE A 34 -4.224 11.820 4.043 1.00 0.00 C ATOM 510 CG2 ILE A 34 -3.091 14.082 4.028 1.00 0.00 C ATOM 511 CD1 ILE A 34 -3.802 11.515 2.604 1.00 0.00 C ATOM 0 H ILE A 34 -5.288 15.343 5.346 1.00 0.00 H new ATOM 0 HA ILE A 34 -5.429 12.732 6.177 1.00 0.00 H new ATOM 0 HB ILE A 34 -5.178 13.729 3.876 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.506 11.350 4.715 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -5.188 11.344 4.223 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.907 13.952 2.961 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.237 15.140 4.245 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.235 13.711 4.591 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.756 10.436 2.459 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -4.529 11.943 1.913 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.820 11.949 2.413 1.00 0.00 H new ATOM 523 N ILE A 35 -3.338 11.849 7.264 1.00 0.00 N ATOM 524 CA ILE A 35 -2.141 11.403 7.960 1.00 0.00 C ATOM 525 C ILE A 35 -1.120 11.030 6.893 1.00 0.00 C ATOM 526 O ILE A 35 -0.076 11.680 6.804 1.00 0.00 O ATOM 527 CB ILE A 35 -2.458 10.283 8.961 1.00 0.00 C ATOM 528 CG1 ILE A 35 -3.408 10.818 10.064 1.00 0.00 C ATOM 529 CG2 ILE A 35 -1.170 9.742 9.605 1.00 0.00 C ATOM 530 CD1 ILE A 35 -4.682 9.987 10.150 1.00 0.00 C ATOM 0 H ILE A 35 -4.050 11.130 7.133 1.00 0.00 H new ATOM 0 HA ILE A 35 -1.717 12.191 8.582 1.00 0.00 H new ATOM 0 HB ILE A 35 -2.944 9.469 8.423 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -2.896 10.803 11.026 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -3.663 11.857 9.855 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -1.421 8.950 10.310 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -0.515 9.344 8.830 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -0.660 10.549 10.132 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -5.326 10.388 10.933 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -5.206 10.024 9.195 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -4.427 8.953 10.384 1.00 0.00 H new ATOM 542 N GLY A 36 -1.440 10.035 6.062 1.00 0.00 N ATOM 543 CA GLY A 36 -0.491 9.439 5.144 1.00 0.00 C ATOM 544 C GLY A 36 -1.074 8.200 4.493 1.00 0.00 C ATOM 545 O GLY A 36 -2.297 8.036 4.420 1.00 0.00 O ATOM 0 H GLY A 36 -2.372 9.624 6.014 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -0.217 10.163 4.377 1.00 0.00 H new ATOM 0 HA3 GLY A 36 0.423 9.179 5.678 1.00 0.00 H new ATOM 549 N TYR A 37 -0.185 7.325 4.027 1.00 0.00 N ATOM 550 CA TYR A 37 -0.545 6.004 3.548 1.00 0.00 C ATOM 551 C TYR A 37 0.396 5.039 4.265 1.00 0.00 C ATOM 552 O TYR A 37 1.554 5.371 4.531 1.00 0.00 O ATOM 553 CB TYR A 37 -0.454 5.925 2.000 1.00 0.00 C ATOM 554 CG TYR A 37 -0.861 7.201 1.280 1.00 0.00 C ATOM 555 CD1 TYR A 37 -2.229 7.469 1.136 1.00 0.00 C ATOM 556 CD2 TYR A 37 0.084 8.137 0.813 1.00 0.00 C ATOM 557 CE1 TYR A 37 -2.666 8.661 0.545 1.00 0.00 C ATOM 558 CE2 TYR A 37 -0.346 9.326 0.189 1.00 0.00 C ATOM 559 CZ TYR A 37 -1.728 9.599 0.067 1.00 0.00 C ATOM 560 OH TYR A 37 -2.155 10.745 -0.532 1.00 0.00 O ATOM 0 H TYR A 37 0.815 7.521 3.973 1.00 0.00 H new ATOM 0 HA TYR A 37 -1.581 5.748 3.769 1.00 0.00 H new ATOM 0 HB2 TYR A 37 0.570 5.676 1.721 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -1.087 5.109 1.652 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -2.954 6.748 1.485 1.00 0.00 H new ATOM 0 HD2 TYR A 37 1.140 7.943 0.933 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -3.723 8.862 0.455 1.00 0.00 H new ATOM 0 HE2 TYR A 37 0.380 10.028 -0.195 1.00 0.00 H new ATOM 0 HH TYR A 37 -1.686 11.512 -0.142 1.00 0.00 H new ATOM 570 N ARG A 38 -0.118 3.868 4.611 1.00 0.00 N ATOM 571 CA ARG A 38 0.547 2.813 5.356 1.00 0.00 C ATOM 572 C ARG A 38 0.654 1.629 4.412 1.00 0.00 C ATOM 573 O ARG A 38 -0.331 1.312 3.744 1.00 0.00 O ATOM 574 CB ARG A 38 -0.297 2.541 6.617 1.00 0.00 C ATOM 575 CG ARG A 38 -0.048 1.230 7.377 1.00 0.00 C ATOM 576 CD ARG A 38 -0.658 0.026 6.642 1.00 0.00 C ATOM 577 NE ARG A 38 -1.309 -0.933 7.539 1.00 0.00 N ATOM 578 CZ ARG A 38 -1.758 -2.140 7.174 1.00 0.00 C ATOM 579 NH1 ARG A 38 -1.683 -2.539 5.902 1.00 0.00 N ATOM 580 NH2 ARG A 38 -2.278 -2.955 8.084 1.00 0.00 N ATOM 0 H ARG A 38 -1.074 3.614 4.361 1.00 0.00 H new ATOM 0 HA ARG A 38 1.552 3.061 5.697 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -0.137 3.366 7.311 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -1.348 2.566 6.328 1.00 0.00 H new ATOM 0 HG2 ARG A 38 1.024 1.077 7.499 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -0.476 1.301 8.377 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -1.386 0.384 5.915 1.00 0.00 H new ATOM 0 HD3 ARG A 38 0.126 -0.485 6.083 1.00 0.00 H new ATOM 0 HE ARG A 38 -1.429 -0.660 8.515 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -1.280 -1.922 5.197 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -2.028 -3.461 5.636 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -2.335 -2.661 9.059 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -2.621 -3.875 7.808 1.00 0.00 H new ATOM 594 N ILE A 39 1.799 0.957 4.351 1.00 0.00 N ATOM 595 CA ILE A 39 1.988 -0.214 3.504 1.00 0.00 C ATOM 596 C ILE A 39 2.484 -1.331 4.412 1.00 0.00 C ATOM 597 O ILE A 39 3.483 -1.149 5.100 1.00 0.00 O ATOM 598 CB ILE A 39 2.923 0.109 2.308 1.00 0.00 C ATOM 599 CG1 ILE A 39 2.216 1.037 1.285 1.00 0.00 C ATOM 600 CG2 ILE A 39 3.348 -1.178 1.572 1.00 0.00 C ATOM 601 CD1 ILE A 39 2.391 2.541 1.542 1.00 0.00 C ATOM 0 H ILE A 39 2.626 1.211 4.891 1.00 0.00 H new ATOM 0 HA ILE A 39 1.060 -0.537 3.031 1.00 0.00 H new ATOM 0 HB ILE A 39 3.801 0.608 2.719 1.00 0.00 H new ATOM 0 HG12 ILE A 39 2.593 0.808 0.288 1.00 0.00 H new ATOM 0 HG13 ILE A 39 1.151 0.806 1.283 1.00 0.00 H new ATOM 0 HG21 ILE A 39 4.002 -0.921 0.739 1.00 0.00 H new ATOM 0 HG22 ILE A 39 3.879 -1.833 2.262 1.00 0.00 H new ATOM 0 HG23 ILE A 39 2.463 -1.690 1.194 1.00 0.00 H new ATOM 0 HD11 ILE A 39 1.861 3.105 0.775 1.00 0.00 H new ATOM 0 HD12 ILE A 39 1.986 2.792 2.522 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.451 2.794 1.512 1.00 0.00 H new ATOM 613 N THR A 40 1.800 -2.475 4.400 1.00 0.00 N ATOM 614 CA THR A 40 2.244 -3.685 5.086 1.00 0.00 C ATOM 615 C THR A 40 2.423 -4.757 4.018 1.00 0.00 C ATOM 616 O THR A 40 1.526 -5.007 3.215 1.00 0.00 O ATOM 617 CB THR A 40 1.234 -4.102 6.164 1.00 0.00 C ATOM 618 OG1 THR A 40 1.184 -3.099 7.160 1.00 0.00 O ATOM 619 CG2 THR A 40 1.608 -5.436 6.816 1.00 0.00 C ATOM 0 H THR A 40 0.913 -2.587 3.908 1.00 0.00 H new ATOM 0 HA THR A 40 3.186 -3.522 5.609 1.00 0.00 H new ATOM 0 HB THR A 40 0.263 -4.225 5.685 1.00 0.00 H new ATOM 0 HG1 THR A 40 0.666 -3.424 7.926 1.00 0.00 H new ATOM 0 HG21 THR A 40 0.866 -5.692 7.572 1.00 0.00 H new ATOM 0 HG22 THR A 40 1.636 -6.217 6.056 1.00 0.00 H new ATOM 0 HG23 THR A 40 2.589 -5.350 7.284 1.00 0.00 H new ATOM 627 N VAL A 41 3.599 -5.361 3.973 1.00 0.00 N ATOM 628 CA VAL A 41 3.946 -6.464 3.092 1.00 0.00 C ATOM 629 C VAL A 41 3.993 -7.723 3.984 1.00 0.00 C ATOM 630 O VAL A 41 4.690 -7.733 5.003 1.00 0.00 O ATOM 631 CB VAL A 41 5.244 -6.131 2.285 1.00 0.00 C ATOM 632 CG1 VAL A 41 5.022 -5.932 0.773 1.00 0.00 C ATOM 633 CG2 VAL A 41 5.874 -4.762 2.649 1.00 0.00 C ATOM 0 H VAL A 41 4.373 -5.083 4.577 1.00 0.00 H new ATOM 0 HA VAL A 41 3.214 -6.648 2.305 1.00 0.00 H new ATOM 0 HB VAL A 41 5.858 -6.996 2.534 1.00 0.00 H new ATOM 0 HG11 VAL A 41 5.974 -5.705 0.292 1.00 0.00 H new ATOM 0 HG12 VAL A 41 4.607 -6.843 0.343 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.329 -5.106 0.613 1.00 0.00 H new ATOM 0 HG21 VAL A 41 6.769 -4.602 2.048 1.00 0.00 H new ATOM 0 HG22 VAL A 41 5.156 -3.966 2.449 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.140 -4.753 3.706 1.00 0.00 H new ATOM 643 N VAL A 42 3.217 -8.763 3.656 1.00 0.00 N ATOM 644 CA VAL A 42 3.275 -10.093 4.273 1.00 0.00 C ATOM 645 C VAL A 42 3.582 -11.125 3.169 1.00 0.00 C ATOM 646 O VAL A 42 3.347 -10.840 1.994 1.00 0.00 O ATOM 647 CB VAL A 42 1.978 -10.370 5.075 1.00 0.00 C ATOM 648 CG1 VAL A 42 1.414 -9.132 5.780 1.00 0.00 C ATOM 649 CG2 VAL A 42 0.864 -10.919 4.206 1.00 0.00 C ATOM 0 H VAL A 42 2.506 -8.699 2.927 1.00 0.00 H new ATOM 0 HA VAL A 42 4.078 -10.162 5.007 1.00 0.00 H new ATOM 0 HB VAL A 42 2.291 -11.105 5.817 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.507 -9.403 6.321 1.00 0.00 H new ATOM 0 HG12 VAL A 42 2.153 -8.745 6.482 1.00 0.00 H new ATOM 0 HG13 VAL A 42 1.180 -8.367 5.040 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.021 -11.095 4.817 1.00 0.00 H new ATOM 0 HG22 VAL A 42 0.626 -10.200 3.422 1.00 0.00 H new ATOM 0 HG23 VAL A 42 1.185 -11.857 3.753 1.00 0.00 H new ATOM 659 N ALA A 43 4.009 -12.338 3.505 1.00 0.00 N ATOM 660 CA ALA A 43 4.167 -13.418 2.549 1.00 0.00 C ATOM 661 C ALA A 43 2.794 -14.033 2.304 1.00 0.00 C ATOM 662 O ALA A 43 2.238 -14.700 3.183 1.00 0.00 O ATOM 663 CB ALA A 43 5.158 -14.466 3.060 1.00 0.00 C ATOM 0 H ALA A 43 4.257 -12.597 4.460 1.00 0.00 H new ATOM 0 HA ALA A 43 4.574 -13.032 1.614 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.257 -15.263 2.323 1.00 0.00 H new ATOM 0 HB2 ALA A 43 6.130 -13.999 3.222 1.00 0.00 H new ATOM 0 HB3 ALA A 43 4.795 -14.883 3.999 1.00 0.00 H new ATOM 669 N ALA A 44 2.299 -13.812 1.089 1.00 0.00 N ATOM 670 CA ALA A 44 1.079 -14.351 0.514 1.00 0.00 C ATOM 671 C ALA A 44 -0.116 -14.265 1.472 1.00 0.00 C ATOM 672 O ALA A 44 -0.173 -13.450 2.394 1.00 0.00 O ATOM 673 CB ALA A 44 1.377 -15.790 0.052 1.00 0.00 C ATOM 0 H ALA A 44 2.784 -13.201 0.431 1.00 0.00 H new ATOM 0 HA ALA A 44 0.777 -13.748 -0.342 1.00 0.00 H new ATOM 0 HB1 ALA A 44 0.479 -16.225 -0.386 1.00 0.00 H new ATOM 0 HB2 ALA A 44 2.173 -15.776 -0.692 1.00 0.00 H new ATOM 0 HB3 ALA A 44 1.690 -16.389 0.907 1.00 0.00 H new ATOM 679 N GLY A 45 -1.089 -15.144 1.265 1.00 0.00 N ATOM 680 CA GLY A 45 -2.168 -15.388 2.196 1.00 0.00 C ATOM 681 C GLY A 45 -1.757 -16.290 3.350 1.00 0.00 C ATOM 682 O GLY A 45 -2.632 -16.887 3.978 1.00 0.00 O ATOM 0 H GLY A 45 -1.145 -15.717 0.423 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -2.522 -14.436 2.593 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -3.004 -15.843 1.665 1.00 0.00 H new ATOM 686 N GLU A 46 -0.457 -16.445 3.624 1.00 0.00 N ATOM 687 CA GLU A 46 0.014 -17.362 4.650 1.00 0.00 C ATOM 688 C GLU A 46 0.013 -16.672 6.023 1.00 0.00 C ATOM 689 O GLU A 46 0.303 -17.284 7.057 1.00 0.00 O ATOM 690 CB GLU A 46 1.396 -17.850 4.230 1.00 0.00 C ATOM 691 CG GLU A 46 1.770 -19.217 4.809 1.00 0.00 C ATOM 692 CD GLU A 46 1.001 -20.413 4.225 1.00 0.00 C ATOM 693 OE1 GLU A 46 0.055 -20.280 3.413 1.00 0.00 O ATOM 694 OE2 GLU A 46 1.346 -21.556 4.616 1.00 0.00 O ATOM 0 H GLU A 46 0.287 -15.940 3.142 1.00 0.00 H new ATOM 0 HA GLU A 46 -0.646 -18.224 4.749 1.00 0.00 H new ATOM 0 HB2 GLU A 46 1.437 -17.903 3.142 1.00 0.00 H new ATOM 0 HB3 GLU A 46 2.140 -17.117 4.542 1.00 0.00 H new ATOM 0 HG2 GLU A 46 2.836 -19.380 4.651 1.00 0.00 H new ATOM 0 HG3 GLU A 46 1.607 -19.193 5.887 1.00 0.00 H new ATOM 701 N GLY A 47 -0.272 -15.363 6.036 1.00 0.00 N ATOM 702 CA GLY A 47 -0.375 -14.495 7.199 1.00 0.00 C ATOM 703 C GLY A 47 0.970 -14.129 7.821 1.00 0.00 C ATOM 704 O GLY A 47 1.035 -13.186 8.610 1.00 0.00 O ATOM 0 H GLY A 47 -0.448 -14.855 5.169 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -0.892 -13.579 6.912 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -0.991 -14.986 7.953 1.00 0.00 H new ATOM 708 N ILE A 48 2.012 -14.873 7.466 1.00 0.00 N ATOM 709 CA ILE A 48 3.425 -14.659 7.696 1.00 0.00 C ATOM 710 C ILE A 48 3.768 -13.196 7.366 1.00 0.00 C ATOM 711 O ILE A 48 3.761 -12.857 6.189 1.00 0.00 O ATOM 712 CB ILE A 48 4.165 -15.711 6.832 1.00 0.00 C ATOM 713 CG1 ILE A 48 4.035 -17.109 7.479 1.00 0.00 C ATOM 714 CG2 ILE A 48 5.630 -15.351 6.601 1.00 0.00 C ATOM 715 CD1 ILE A 48 4.752 -18.236 6.722 1.00 0.00 C ATOM 0 H ILE A 48 1.862 -15.740 6.950 1.00 0.00 H new ATOM 0 HA ILE A 48 3.732 -14.797 8.733 1.00 0.00 H new ATOM 0 HB ILE A 48 3.691 -15.724 5.850 1.00 0.00 H new ATOM 0 HG12 ILE A 48 4.430 -17.063 8.494 1.00 0.00 H new ATOM 0 HG13 ILE A 48 2.977 -17.360 7.560 1.00 0.00 H new ATOM 0 HG21 ILE A 48 6.102 -16.121 5.990 1.00 0.00 H new ATOM 0 HG22 ILE A 48 5.692 -14.391 6.088 1.00 0.00 H new ATOM 0 HG23 ILE A 48 6.144 -15.283 7.560 1.00 0.00 H new ATOM 0 HD11 ILE A 48 4.606 -19.179 7.249 1.00 0.00 H new ATOM 0 HD12 ILE A 48 4.342 -18.316 5.715 1.00 0.00 H new ATOM 0 HD13 ILE A 48 5.818 -18.014 6.663 1.00 0.00 H new ATOM 727 N PRO A 49 4.015 -12.303 8.338 1.00 0.00 N ATOM 728 CA PRO A 49 4.353 -10.910 8.053 1.00 0.00 C ATOM 729 C PRO A 49 5.756 -10.808 7.431 1.00 0.00 C ATOM 730 O PRO A 49 6.535 -11.760 7.494 1.00 0.00 O ATOM 731 CB PRO A 49 4.259 -10.208 9.409 1.00 0.00 C ATOM 732 CG PRO A 49 4.675 -11.303 10.392 1.00 0.00 C ATOM 733 CD PRO A 49 4.165 -12.595 9.752 1.00 0.00 C ATOM 0 HA PRO A 49 3.686 -10.449 7.324 1.00 0.00 H new ATOM 0 HB2 PRO A 49 4.921 -9.344 9.463 1.00 0.00 H new ATOM 0 HB3 PRO A 49 3.249 -9.849 9.608 1.00 0.00 H new ATOM 0 HG2 PRO A 49 5.756 -11.326 10.528 1.00 0.00 H new ATOM 0 HG3 PRO A 49 4.233 -11.144 11.376 1.00 0.00 H new ATOM 0 HD2 PRO A 49 4.867 -13.413 9.910 1.00 0.00 H new ATOM 0 HD3 PRO A 49 3.215 -12.901 10.191 1.00 0.00 H new ATOM 741 N ILE A 50 6.098 -9.641 6.878 1.00 0.00 N ATOM 742 CA ILE A 50 7.469 -9.265 6.535 1.00 0.00 C ATOM 743 C ILE A 50 7.740 -8.001 7.354 1.00 0.00 C ATOM 744 O ILE A 50 8.369 -8.063 8.412 1.00 0.00 O ATOM 745 CB ILE A 50 7.682 -9.087 5.005 1.00 0.00 C ATOM 746 CG1 ILE A 50 7.117 -10.212 4.114 1.00 0.00 C ATOM 747 CG2 ILE A 50 9.153 -8.749 4.691 1.00 0.00 C ATOM 748 CD1 ILE A 50 8.061 -11.384 3.938 1.00 0.00 C ATOM 0 H ILE A 50 5.415 -8.918 6.652 1.00 0.00 H new ATOM 0 HA ILE A 50 8.185 -10.049 6.781 1.00 0.00 H new ATOM 0 HB ILE A 50 7.065 -8.232 4.728 1.00 0.00 H new ATOM 0 HG12 ILE A 50 6.183 -10.571 4.547 1.00 0.00 H new ATOM 0 HG13 ILE A 50 6.877 -9.800 3.134 1.00 0.00 H new ATOM 0 HG21 ILE A 50 9.277 -8.629 3.615 1.00 0.00 H new ATOM 0 HG22 ILE A 50 9.429 -7.822 5.193 1.00 0.00 H new ATOM 0 HG23 ILE A 50 9.795 -9.557 5.043 1.00 0.00 H new ATOM 0 HD11 ILE A 50 7.594 -12.134 3.300 1.00 0.00 H new ATOM 0 HD12 ILE A 50 8.986 -11.040 3.476 1.00 0.00 H new ATOM 0 HD13 ILE A 50 8.282 -11.822 4.911 1.00 0.00 H new ATOM 760 N PHE A 51 7.213 -6.852 6.927 1.00 0.00 N ATOM 761 CA PHE A 51 7.310 -5.599 7.662 1.00 0.00 C ATOM 762 C PHE A 51 6.221 -4.648 7.182 1.00 0.00 C ATOM 763 O PHE A 51 5.455 -4.948 6.261 1.00 0.00 O ATOM 764 CB PHE A 51 8.725 -4.987 7.571 1.00 0.00 C ATOM 765 CG PHE A 51 8.952 -3.999 6.444 1.00 0.00 C ATOM 766 CD1 PHE A 51 8.837 -4.407 5.104 1.00 0.00 C ATOM 767 CD2 PHE A 51 9.261 -2.657 6.741 1.00 0.00 C ATOM 768 CE1 PHE A 51 9.017 -3.473 4.071 1.00 0.00 C ATOM 769 CE2 PHE A 51 9.466 -1.731 5.707 1.00 0.00 C ATOM 770 CZ PHE A 51 9.323 -2.132 4.370 1.00 0.00 C ATOM 0 H PHE A 51 6.701 -6.769 6.049 1.00 0.00 H new ATOM 0 HA PHE A 51 7.147 -5.792 8.722 1.00 0.00 H new ATOM 0 HB2 PHE A 51 8.944 -4.488 8.515 1.00 0.00 H new ATOM 0 HB3 PHE A 51 9.444 -5.799 7.466 1.00 0.00 H new ATOM 0 HD1 PHE A 51 8.611 -5.437 4.869 1.00 0.00 H new ATOM 0 HD2 PHE A 51 9.341 -2.339 7.770 1.00 0.00 H new ATOM 0 HE1 PHE A 51 8.920 -3.785 3.042 1.00 0.00 H new ATOM 0 HE2 PHE A 51 9.734 -0.711 5.940 1.00 0.00 H new ATOM 0 HZ PHE A 51 9.447 -1.414 3.573 1.00 0.00 H new ATOM 780 N GLU A 52 6.148 -3.504 7.845 1.00 0.00 N ATOM 781 CA GLU A 52 5.252 -2.421 7.504 1.00 0.00 C ATOM 782 C GLU A 52 5.989 -1.095 7.575 1.00 0.00 C ATOM 783 O GLU A 52 6.972 -0.947 8.307 1.00 0.00 O ATOM 784 CB GLU A 52 4.031 -2.460 8.423 1.00 0.00 C ATOM 785 CG GLU A 52 4.366 -2.266 9.909 1.00 0.00 C ATOM 786 CD GLU A 52 3.329 -2.966 10.769 1.00 0.00 C ATOM 787 OE1 GLU A 52 2.191 -2.459 10.894 1.00 0.00 O ATOM 788 OE2 GLU A 52 3.628 -4.075 11.268 1.00 0.00 O ATOM 0 H GLU A 52 6.730 -3.302 8.658 1.00 0.00 H new ATOM 0 HA GLU A 52 4.897 -2.536 6.480 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.331 -1.684 8.114 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.523 -3.416 8.297 1.00 0.00 H new ATOM 0 HG2 GLU A 52 5.357 -2.666 10.122 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.392 -1.203 10.149 1.00 0.00 H new ATOM 795 N ASP A 53 5.491 -0.136 6.810 1.00 0.00 N ATOM 796 CA ASP A 53 6.179 1.084 6.435 1.00 0.00 C ATOM 797 C ASP A 53 5.155 2.193 6.219 1.00 0.00 C ATOM 798 O ASP A 53 3.943 1.929 6.156 1.00 0.00 O ATOM 799 CB ASP A 53 6.989 0.856 5.157 1.00 0.00 C ATOM 800 CG ASP A 53 8.138 1.854 4.980 1.00 0.00 C ATOM 801 OD1 ASP A 53 8.481 2.576 5.946 1.00 0.00 O ATOM 802 OD2 ASP A 53 8.740 1.856 3.885 1.00 0.00 O ATOM 0 H ASP A 53 4.552 -0.192 6.417 1.00 0.00 H new ATOM 0 HA ASP A 53 6.863 1.376 7.232 1.00 0.00 H new ATOM 0 HB2 ASP A 53 7.395 -0.156 5.168 1.00 0.00 H new ATOM 0 HB3 ASP A 53 6.323 0.923 4.297 1.00 0.00 H new ATOM 807 N PHE A 54 5.630 3.431 6.144 1.00 0.00 N ATOM 808 CA PHE A 54 4.817 4.606 5.897 1.00 0.00 C ATOM 809 C PHE A 54 5.358 5.384 4.706 1.00 0.00 C ATOM 810 O PHE A 54 6.423 5.080 4.161 1.00 0.00 O ATOM 811 CB PHE A 54 4.757 5.473 7.165 1.00 0.00 C ATOM 812 CG PHE A 54 3.361 5.542 7.731 1.00 0.00 C ATOM 813 CD1 PHE A 54 2.897 4.502 8.550 1.00 0.00 C ATOM 814 CD2 PHE A 54 2.505 6.600 7.383 1.00 0.00 C ATOM 815 CE1 PHE A 54 1.589 4.531 9.051 1.00 0.00 C ATOM 816 CE2 PHE A 54 1.191 6.628 7.869 1.00 0.00 C ATOM 817 CZ PHE A 54 0.740 5.594 8.707 1.00 0.00 C ATOM 0 H PHE A 54 6.621 3.646 6.257 1.00 0.00 H new ATOM 0 HA PHE A 54 3.801 4.299 5.651 1.00 0.00 H new ATOM 0 HB2 PHE A 54 5.434 5.066 7.916 1.00 0.00 H new ATOM 0 HB3 PHE A 54 5.106 6.480 6.934 1.00 0.00 H new ATOM 0 HD1 PHE A 54 3.550 3.677 8.795 1.00 0.00 H new ATOM 0 HD2 PHE A 54 2.860 7.392 6.741 1.00 0.00 H new ATOM 0 HE1 PHE A 54 1.237 3.741 9.697 1.00 0.00 H new ATOM 0 HE2 PHE A 54 0.529 7.439 7.601 1.00 0.00 H new ATOM 0 HZ PHE A 54 -0.270 5.618 9.090 1.00 0.00 H new ATOM 827 N VAL A 55 4.588 6.383 4.285 1.00 0.00 N ATOM 828 CA VAL A 55 5.046 7.444 3.419 1.00 0.00 C ATOM 829 C VAL A 55 4.729 8.798 4.075 1.00 0.00 C ATOM 830 O VAL A 55 4.144 8.858 5.161 1.00 0.00 O ATOM 831 CB VAL A 55 4.424 7.238 2.018 1.00 0.00 C ATOM 832 CG1 VAL A 55 5.475 6.732 1.034 1.00 0.00 C ATOM 833 CG2 VAL A 55 3.216 6.288 1.951 1.00 0.00 C ATOM 0 H VAL A 55 3.606 6.472 4.548 1.00 0.00 H new ATOM 0 HA VAL A 55 6.127 7.429 3.278 1.00 0.00 H new ATOM 0 HB VAL A 55 4.053 8.228 1.754 1.00 0.00 H new ATOM 0 HG11 VAL A 55 5.019 6.593 0.054 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.283 7.460 0.958 1.00 0.00 H new ATOM 0 HG13 VAL A 55 5.875 5.781 1.386 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.863 6.220 0.922 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.512 5.298 2.300 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.416 6.672 2.584 1.00 0.00 H new ATOM 843 N ASP A 56 5.031 9.885 3.361 1.00 0.00 N ATOM 844 CA ASP A 56 5.013 11.268 3.839 1.00 0.00 C ATOM 845 C ASP A 56 3.609 11.729 4.234 1.00 0.00 C ATOM 846 O ASP A 56 3.299 11.905 5.408 1.00 0.00 O ATOM 847 CB ASP A 56 5.547 12.165 2.712 1.00 0.00 C ATOM 848 CG ASP A 56 6.100 13.498 3.193 1.00 0.00 C ATOM 849 OD1 ASP A 56 5.679 14.000 4.250 1.00 0.00 O ATOM 850 OD2 ASP A 56 6.992 14.022 2.478 1.00 0.00 O ATOM 0 H ASP A 56 5.309 9.820 2.382 1.00 0.00 H new ATOM 0 HA ASP A 56 5.634 11.335 4.732 1.00 0.00 H new ATOM 0 HB2 ASP A 56 6.331 11.630 2.176 1.00 0.00 H new ATOM 0 HB3 ASP A 56 4.744 12.352 1.999 1.00 0.00 H new ATOM 855 N SER A 57 2.754 11.871 3.219 1.00 0.00 N ATOM 856 CA SER A 57 1.391 12.362 3.212 1.00 0.00 C ATOM 857 C SER A 57 0.931 12.687 1.802 1.00 0.00 C ATOM 858 O SER A 57 -0.236 12.448 1.498 1.00 0.00 O ATOM 859 CB SER A 57 1.163 13.567 4.139 1.00 0.00 C ATOM 860 OG SER A 57 1.888 14.704 3.698 1.00 0.00 O ATOM 0 H SER A 57 3.044 11.612 2.276 1.00 0.00 H new ATOM 0 HA SER A 57 0.786 11.547 3.609 1.00 0.00 H new ATOM 0 HB2 SER A 57 0.100 13.804 4.176 1.00 0.00 H new ATOM 0 HB3 SER A 57 1.468 13.310 5.154 1.00 0.00 H new ATOM 0 HG SER A 57 1.722 15.454 4.306 1.00 0.00 H new ATOM 866 N SER A 58 1.833 13.140 0.924 1.00 0.00 N ATOM 867 CA SER A 58 1.459 13.482 -0.443 1.00 0.00 C ATOM 868 C SER A 58 2.402 12.861 -1.464 1.00 0.00 C ATOM 869 O SER A 58 2.467 13.296 -2.615 1.00 0.00 O ATOM 870 CB SER A 58 1.168 14.981 -0.575 1.00 0.00 C ATOM 871 OG SER A 58 2.274 15.833 -0.336 1.00 0.00 O ATOM 0 H SER A 58 2.821 13.276 1.139 1.00 0.00 H new ATOM 0 HA SER A 58 0.506 13.016 -0.694 1.00 0.00 H new ATOM 0 HB2 SER A 58 0.791 15.175 -1.579 1.00 0.00 H new ATOM 0 HB3 SER A 58 0.371 15.243 0.121 1.00 0.00 H new ATOM 0 HG SER A 58 1.997 16.767 -0.444 1.00 0.00 H new ATOM 877 N VAL A 59 3.057 11.770 -1.064 1.00 0.00 N ATOM 878 CA VAL A 59 3.873 10.979 -1.974 1.00 0.00 C ATOM 879 C VAL A 59 2.891 10.226 -2.863 1.00 0.00 C ATOM 880 O VAL A 59 1.963 9.615 -2.339 1.00 0.00 O ATOM 881 CB VAL A 59 4.748 10.002 -1.161 1.00 0.00 C ATOM 882 CG1 VAL A 59 5.359 8.884 -2.013 1.00 0.00 C ATOM 883 CG2 VAL A 59 5.918 10.748 -0.519 1.00 0.00 C ATOM 0 H VAL A 59 3.035 11.416 -0.108 1.00 0.00 H new ATOM 0 HA VAL A 59 4.545 11.594 -2.573 1.00 0.00 H new ATOM 0 HB VAL A 59 4.080 9.564 -0.419 1.00 0.00 H new ATOM 0 HG11 VAL A 59 5.962 8.233 -1.380 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.562 8.303 -2.477 1.00 0.00 H new ATOM 0 HG13 VAL A 59 5.988 9.320 -2.789 1.00 0.00 H new ATOM 0 HG21 VAL A 59 6.527 10.047 0.052 1.00 0.00 H new ATOM 0 HG22 VAL A 59 6.527 11.208 -1.297 1.00 0.00 H new ATOM 0 HG23 VAL A 59 5.535 11.521 0.147 1.00 0.00 H new ATOM 893 N GLY A 60 3.105 10.262 -4.180 1.00 0.00 N ATOM 894 CA GLY A 60 2.360 9.486 -5.171 1.00 0.00 C ATOM 895 C GLY A 60 3.167 8.337 -5.769 1.00 0.00 C ATOM 896 O GLY A 60 2.683 7.628 -6.646 1.00 0.00 O ATOM 0 H GLY A 60 3.825 10.851 -4.598 1.00 0.00 H new ATOM 0 HA2 GLY A 60 1.460 9.085 -4.706 1.00 0.00 H new ATOM 0 HA3 GLY A 60 2.036 10.149 -5.973 1.00 0.00 H new ATOM 900 N TYR A 61 4.417 8.170 -5.344 1.00 0.00 N ATOM 901 CA TYR A 61 5.376 7.265 -5.952 1.00 0.00 C ATOM 902 C TYR A 61 6.334 6.805 -4.853 1.00 0.00 C ATOM 903 O TYR A 61 7.048 7.627 -4.276 1.00 0.00 O ATOM 904 CB TYR A 61 6.104 8.009 -7.076 1.00 0.00 C ATOM 905 CG TYR A 61 6.894 7.075 -7.961 1.00 0.00 C ATOM 906 CD1 TYR A 61 8.164 6.632 -7.554 1.00 0.00 C ATOM 907 CD2 TYR A 61 6.337 6.618 -9.170 1.00 0.00 C ATOM 908 CE1 TYR A 61 8.888 5.752 -8.370 1.00 0.00 C ATOM 909 CE2 TYR A 61 7.048 5.714 -9.976 1.00 0.00 C ATOM 910 CZ TYR A 61 8.338 5.289 -9.586 1.00 0.00 C ATOM 911 OH TYR A 61 9.075 4.455 -10.371 1.00 0.00 O ATOM 0 H TYR A 61 4.797 8.677 -4.544 1.00 0.00 H new ATOM 0 HA TYR A 61 4.897 6.389 -6.390 1.00 0.00 H new ATOM 0 HB2 TYR A 61 5.377 8.551 -7.681 1.00 0.00 H new ATOM 0 HB3 TYR A 61 6.775 8.751 -6.643 1.00 0.00 H new ATOM 0 HD1 TYR A 61 8.581 6.968 -6.616 1.00 0.00 H new ATOM 0 HD2 TYR A 61 5.361 6.963 -9.478 1.00 0.00 H new ATOM 0 HE1 TYR A 61 9.872 5.426 -8.067 1.00 0.00 H new ATOM 0 HE2 TYR A 61 6.610 5.345 -10.891 1.00 0.00 H new ATOM 0 HH TYR A 61 8.562 4.222 -11.173 1.00 0.00 H new ATOM 921 N TYR A 62 6.335 5.520 -4.509 1.00 0.00 N ATOM 922 CA TYR A 62 7.094 4.966 -3.378 1.00 0.00 C ATOM 923 C TYR A 62 7.657 3.614 -3.809 1.00 0.00 C ATOM 924 O TYR A 62 7.174 3.035 -4.780 1.00 0.00 O ATOM 925 CB TYR A 62 6.178 4.924 -2.140 1.00 0.00 C ATOM 926 CG TYR A 62 6.493 3.952 -1.006 1.00 0.00 C ATOM 927 CD1 TYR A 62 7.746 3.946 -0.362 1.00 0.00 C ATOM 928 CD2 TYR A 62 5.510 3.037 -0.581 1.00 0.00 C ATOM 929 CE1 TYR A 62 8.036 2.984 0.626 1.00 0.00 C ATOM 930 CE2 TYR A 62 5.800 2.060 0.380 1.00 0.00 C ATOM 931 CZ TYR A 62 7.067 2.025 0.987 1.00 0.00 C ATOM 932 OH TYR A 62 7.339 1.036 1.874 1.00 0.00 O ATOM 0 H TYR A 62 5.799 4.815 -5.016 1.00 0.00 H new ATOM 0 HA TYR A 62 7.947 5.582 -3.093 1.00 0.00 H new ATOM 0 HB2 TYR A 62 6.158 5.927 -1.714 1.00 0.00 H new ATOM 0 HB3 TYR A 62 5.168 4.705 -2.488 1.00 0.00 H new ATOM 0 HD1 TYR A 62 8.489 4.683 -0.627 1.00 0.00 H new ATOM 0 HD2 TYR A 62 4.517 3.090 -1.003 1.00 0.00 H new ATOM 0 HE1 TYR A 62 9.003 2.981 1.108 1.00 0.00 H new ATOM 0 HE2 TYR A 62 5.050 1.333 0.655 1.00 0.00 H new ATOM 0 HH TYR A 62 8.128 1.279 2.403 1.00 0.00 H new ATOM 942 N THR A 63 8.698 3.131 -3.142 1.00 0.00 N ATOM 943 CA THR A 63 9.422 1.927 -3.513 1.00 0.00 C ATOM 944 C THR A 63 9.784 1.198 -2.213 1.00 0.00 C ATOM 945 O THR A 63 10.264 1.833 -1.269 1.00 0.00 O ATOM 946 CB THR A 63 10.649 2.328 -4.360 1.00 0.00 C ATOM 947 OG1 THR A 63 10.272 3.185 -5.436 1.00 0.00 O ATOM 948 CG2 THR A 63 11.355 1.113 -4.964 1.00 0.00 C ATOM 0 H THR A 63 9.070 3.580 -2.305 1.00 0.00 H new ATOM 0 HA THR A 63 8.832 1.247 -4.128 1.00 0.00 H new ATOM 0 HB THR A 63 11.327 2.842 -3.679 1.00 0.00 H new ATOM 0 HG1 THR A 63 11.067 3.426 -5.956 1.00 0.00 H new ATOM 0 HG21 THR A 63 12.211 1.444 -5.551 1.00 0.00 H new ATOM 0 HG22 THR A 63 11.696 0.455 -4.164 1.00 0.00 H new ATOM 0 HG23 THR A 63 10.661 0.572 -5.608 1.00 0.00 H new ATOM 956 N VAL A 64 9.528 -0.108 -2.157 1.00 0.00 N ATOM 957 CA VAL A 64 9.803 -0.997 -1.031 1.00 0.00 C ATOM 958 C VAL A 64 10.948 -1.910 -1.460 1.00 0.00 C ATOM 959 O VAL A 64 11.013 -2.271 -2.631 1.00 0.00 O ATOM 960 CB VAL A 64 8.564 -1.855 -0.694 1.00 0.00 C ATOM 961 CG1 VAL A 64 8.563 -2.269 0.773 1.00 0.00 C ATOM 962 CG2 VAL A 64 7.220 -1.196 -1.022 1.00 0.00 C ATOM 0 H VAL A 64 9.099 -0.601 -2.940 1.00 0.00 H new ATOM 0 HA VAL A 64 10.059 -0.417 -0.144 1.00 0.00 H new ATOM 0 HB VAL A 64 8.656 -2.727 -1.341 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.679 -2.872 0.980 1.00 0.00 H new ATOM 0 HG12 VAL A 64 9.458 -2.853 0.987 1.00 0.00 H new ATOM 0 HG13 VAL A 64 8.551 -1.379 1.402 1.00 0.00 H new ATOM 0 HG21 VAL A 64 6.408 -1.871 -0.752 1.00 0.00 H new ATOM 0 HG22 VAL A 64 7.123 -0.268 -0.459 1.00 0.00 H new ATOM 0 HG23 VAL A 64 7.172 -0.979 -2.089 1.00 0.00 H new ATOM 972 N THR A 65 11.796 -2.334 -0.533 1.00 0.00 N ATOM 973 CA THR A 65 13.004 -3.122 -0.782 1.00 0.00 C ATOM 974 C THR A 65 12.895 -4.440 0.013 1.00 0.00 C ATOM 975 O THR A 65 11.850 -4.719 0.616 1.00 0.00 O ATOM 976 CB THR A 65 14.239 -2.265 -0.403 1.00 0.00 C ATOM 977 OG1 THR A 65 13.996 -0.871 -0.532 1.00 0.00 O ATOM 978 CG2 THR A 65 15.457 -2.527 -1.291 1.00 0.00 C ATOM 0 H THR A 65 11.658 -2.131 0.457 1.00 0.00 H new ATOM 0 HA THR A 65 13.116 -3.390 -1.833 1.00 0.00 H new ATOM 0 HB THR A 65 14.432 -2.555 0.630 1.00 0.00 H new ATOM 0 HG1 THR A 65 14.802 -0.374 -0.281 1.00 0.00 H new ATOM 0 HG21 THR A 65 16.284 -1.894 -0.970 1.00 0.00 H new ATOM 0 HG22 THR A 65 15.748 -3.574 -1.209 1.00 0.00 H new ATOM 0 HG23 THR A 65 15.207 -2.300 -2.327 1.00 0.00 H new ATOM 986 N GLY A 66 13.940 -5.270 0.042 1.00 0.00 N ATOM 987 CA GLY A 66 14.006 -6.423 0.938 1.00 0.00 C ATOM 988 C GLY A 66 13.163 -7.605 0.473 1.00 0.00 C ATOM 989 O GLY A 66 12.815 -8.471 1.273 1.00 0.00 O ATOM 0 H GLY A 66 14.761 -5.161 -0.553 1.00 0.00 H new ATOM 0 HA2 GLY A 66 15.044 -6.742 1.031 1.00 0.00 H new ATOM 0 HA3 GLY A 66 13.676 -6.120 1.932 1.00 0.00 H new ATOM 993 N LEU A 67 12.763 -7.608 -0.798 1.00 0.00 N ATOM 994 CA LEU A 67 11.988 -8.688 -1.390 1.00 0.00 C ATOM 995 C LEU A 67 12.841 -9.949 -1.535 1.00 0.00 C ATOM 996 O LEU A 67 14.060 -9.888 -1.706 1.00 0.00 O ATOM 997 CB LEU A 67 11.399 -8.219 -2.733 1.00 0.00 C ATOM 998 CG LEU A 67 9.862 -8.174 -2.673 1.00 0.00 C ATOM 999 CD1 LEU A 67 9.336 -7.123 -3.643 1.00 0.00 C ATOM 1000 CD2 LEU A 67 9.246 -9.539 -2.981 1.00 0.00 C ATOM 0 H LEU A 67 12.972 -6.851 -1.449 1.00 0.00 H new ATOM 0 HA LEU A 67 11.158 -8.949 -0.733 1.00 0.00 H new ATOM 0 HB2 LEU A 67 11.786 -7.230 -2.979 1.00 0.00 H new ATOM 0 HB3 LEU A 67 11.716 -8.893 -3.529 1.00 0.00 H new ATOM 0 HG LEU A 67 9.572 -7.905 -1.657 1.00 0.00 H new ATOM 0 HD11 LEU A 67 8.247 -7.096 -3.595 1.00 0.00 H new ATOM 0 HD12 LEU A 67 9.735 -6.146 -3.372 1.00 0.00 H new ATOM 0 HD13 LEU A 67 9.649 -7.374 -4.656 1.00 0.00 H new ATOM 0 HD21 LEU A 67 8.160 -9.468 -2.929 1.00 0.00 H new ATOM 0 HD22 LEU A 67 9.542 -9.854 -3.982 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.597 -10.269 -2.252 1.00 0.00 H new ATOM 1012 N GLU A 68 12.182 -11.101 -1.493 1.00 0.00 N ATOM 1013 CA GLU A 68 12.757 -12.426 -1.388 1.00 0.00 C ATOM 1014 C GLU A 68 11.903 -13.294 -2.328 1.00 0.00 C ATOM 1015 O GLU A 68 10.750 -13.548 -1.982 1.00 0.00 O ATOM 1016 CB GLU A 68 12.732 -12.844 0.102 1.00 0.00 C ATOM 1017 CG GLU A 68 14.079 -13.309 0.659 1.00 0.00 C ATOM 1018 CD GLU A 68 14.363 -14.772 0.357 1.00 0.00 C ATOM 1019 OE1 GLU A 68 14.538 -15.113 -0.830 1.00 0.00 O ATOM 1020 OE2 GLU A 68 14.452 -15.579 1.316 1.00 0.00 O ATOM 0 H GLU A 68 11.163 -11.130 -1.535 1.00 0.00 H new ATOM 0 HA GLU A 68 13.801 -12.513 -1.689 1.00 0.00 H new ATOM 0 HB2 GLU A 68 12.381 -12.000 0.696 1.00 0.00 H new ATOM 0 HB3 GLU A 68 12.006 -13.647 0.228 1.00 0.00 H new ATOM 0 HG2 GLU A 68 14.874 -12.694 0.238 1.00 0.00 H new ATOM 0 HG3 GLU A 68 14.095 -13.155 1.738 1.00 0.00 H new ATOM 1027 N PRO A 69 12.371 -13.591 -3.557 1.00 0.00 N ATOM 1028 CA PRO A 69 11.535 -14.041 -4.676 1.00 0.00 C ATOM 1029 C PRO A 69 10.964 -15.447 -4.492 1.00 0.00 C ATOM 1030 O PRO A 69 11.480 -16.260 -3.723 1.00 0.00 O ATOM 1031 CB PRO A 69 12.450 -14.008 -5.914 1.00 0.00 C ATOM 1032 CG PRO A 69 13.844 -14.168 -5.316 1.00 0.00 C ATOM 1033 CD PRO A 69 13.744 -13.413 -3.999 1.00 0.00 C ATOM 0 HA PRO A 69 10.665 -13.390 -4.763 1.00 0.00 H new ATOM 0 HB2 PRO A 69 12.215 -14.813 -6.611 1.00 0.00 H new ATOM 0 HB3 PRO A 69 12.352 -13.072 -6.463 1.00 0.00 H new ATOM 0 HG2 PRO A 69 14.098 -15.217 -5.161 1.00 0.00 H new ATOM 0 HG3 PRO A 69 14.612 -13.746 -5.965 1.00 0.00 H new ATOM 0 HD2 PRO A 69 14.447 -13.807 -3.266 1.00 0.00 H new ATOM 0 HD3 PRO A 69 13.980 -12.357 -4.132 1.00 0.00 H new ATOM 1041 N GLY A 70 9.935 -15.770 -5.280 1.00 0.00 N ATOM 1042 CA GLY A 70 9.405 -17.123 -5.397 1.00 0.00 C ATOM 1043 C GLY A 70 8.407 -17.463 -4.293 1.00 0.00 C ATOM 1044 O GLY A 70 7.537 -18.312 -4.509 1.00 0.00 O ATOM 0 H GLY A 70 9.444 -15.089 -5.859 1.00 0.00 H new ATOM 0 HA2 GLY A 70 8.920 -17.236 -6.367 1.00 0.00 H new ATOM 0 HA3 GLY A 70 10.229 -17.835 -5.368 1.00 0.00 H new ATOM 1048 N ILE A 71 8.495 -16.791 -3.146 1.00 0.00 N ATOM 1049 CA ILE A 71 7.412 -16.672 -2.185 1.00 0.00 C ATOM 1050 C ILE A 71 6.566 -15.505 -2.674 1.00 0.00 C ATOM 1051 O ILE A 71 7.118 -14.496 -3.098 1.00 0.00 O ATOM 1052 CB ILE A 71 7.988 -16.412 -0.781 1.00 0.00 C ATOM 1053 CG1 ILE A 71 8.774 -17.635 -0.260 1.00 0.00 C ATOM 1054 CG2 ILE A 71 6.924 -15.980 0.247 1.00 0.00 C ATOM 1055 CD1 ILE A 71 7.957 -18.928 -0.088 1.00 0.00 C ATOM 0 H ILE A 71 9.344 -16.305 -2.857 1.00 0.00 H new ATOM 0 HA ILE A 71 6.813 -17.579 -2.110 1.00 0.00 H new ATOM 0 HB ILE A 71 8.673 -15.572 -0.895 1.00 0.00 H new ATOM 0 HG12 ILE A 71 9.596 -17.835 -0.947 1.00 0.00 H new ATOM 0 HG13 ILE A 71 9.218 -17.376 0.702 1.00 0.00 H new ATOM 0 HG21 ILE A 71 7.399 -15.814 1.214 1.00 0.00 H new ATOM 0 HG22 ILE A 71 6.448 -15.058 -0.087 1.00 0.00 H new ATOM 0 HG23 ILE A 71 6.171 -16.763 0.342 1.00 0.00 H new ATOM 0 HD11 ILE A 71 8.606 -19.722 0.282 1.00 0.00 H new ATOM 0 HD12 ILE A 71 7.150 -18.757 0.625 1.00 0.00 H new ATOM 0 HD13 ILE A 71 7.535 -19.222 -1.049 1.00 0.00 H new ATOM 1067 N ASP A 72 5.245 -15.647 -2.612 1.00 0.00 N ATOM 1068 CA ASP A 72 4.301 -14.609 -3.018 1.00 0.00 C ATOM 1069 C ASP A 72 4.094 -13.599 -1.883 1.00 0.00 C ATOM 1070 O ASP A 72 4.372 -13.911 -0.725 1.00 0.00 O ATOM 1071 CB ASP A 72 3.009 -15.324 -3.446 1.00 0.00 C ATOM 1072 CG ASP A 72 1.861 -14.453 -3.935 1.00 0.00 C ATOM 1073 OD1 ASP A 72 2.090 -13.312 -4.371 1.00 0.00 O ATOM 1074 OD2 ASP A 72 0.745 -15.003 -4.095 1.00 0.00 O ATOM 0 H ASP A 72 4.794 -16.497 -2.274 1.00 0.00 H new ATOM 0 HA ASP A 72 4.674 -14.022 -3.857 1.00 0.00 H new ATOM 0 HB2 ASP A 72 3.260 -16.029 -4.239 1.00 0.00 H new ATOM 0 HB3 ASP A 72 2.651 -15.910 -2.600 1.00 0.00 H new ATOM 1079 N TYR A 73 3.631 -12.386 -2.191 1.00 0.00 N ATOM 1080 CA TYR A 73 3.624 -11.232 -1.296 1.00 0.00 C ATOM 1081 C TYR A 73 2.262 -10.539 -1.401 1.00 0.00 C ATOM 1082 O TYR A 73 1.875 -10.133 -2.496 1.00 0.00 O ATOM 1083 CB TYR A 73 4.767 -10.265 -1.681 1.00 0.00 C ATOM 1084 CG TYR A 73 6.114 -10.638 -1.090 1.00 0.00 C ATOM 1085 CD1 TYR A 73 6.791 -11.756 -1.595 1.00 0.00 C ATOM 1086 CD2 TYR A 73 6.702 -9.889 -0.051 1.00 0.00 C ATOM 1087 CE1 TYR A 73 7.989 -12.192 -1.020 1.00 0.00 C ATOM 1088 CE2 TYR A 73 7.938 -10.284 0.496 1.00 0.00 C ATOM 1089 CZ TYR A 73 8.565 -11.466 0.039 1.00 0.00 C ATOM 1090 OH TYR A 73 9.745 -11.882 0.569 1.00 0.00 O ATOM 0 H TYR A 73 3.236 -12.175 -3.107 1.00 0.00 H new ATOM 0 HA TYR A 73 3.785 -11.551 -0.266 1.00 0.00 H new ATOM 0 HB2 TYR A 73 4.854 -10.235 -2.767 1.00 0.00 H new ATOM 0 HB3 TYR A 73 4.504 -9.259 -1.354 1.00 0.00 H new ATOM 0 HD1 TYR A 73 6.382 -12.289 -2.441 1.00 0.00 H new ATOM 0 HD2 TYR A 73 6.203 -9.009 0.327 1.00 0.00 H new ATOM 0 HE1 TYR A 73 8.472 -13.085 -1.388 1.00 0.00 H new ATOM 0 HE2 TYR A 73 8.406 -9.685 1.263 1.00 0.00 H new ATOM 0 HH TYR A 73 10.043 -12.694 0.108 1.00 0.00 H new ATOM 1100 N ASP A 74 1.550 -10.389 -0.275 1.00 0.00 N ATOM 1101 CA ASP A 74 0.280 -9.665 -0.159 1.00 0.00 C ATOM 1102 C ASP A 74 0.635 -8.268 0.341 1.00 0.00 C ATOM 1103 O ASP A 74 1.090 -8.146 1.482 1.00 0.00 O ATOM 1104 CB ASP A 74 -0.695 -10.346 0.834 1.00 0.00 C ATOM 1105 CG ASP A 74 -1.765 -11.290 0.241 1.00 0.00 C ATOM 1106 OD1 ASP A 74 -1.498 -12.119 -0.656 1.00 0.00 O ATOM 1107 OD2 ASP A 74 -2.953 -11.145 0.620 1.00 0.00 O ATOM 0 H ASP A 74 1.857 -10.785 0.614 1.00 0.00 H new ATOM 0 HA ASP A 74 -0.229 -9.646 -1.123 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -0.103 -10.915 1.551 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -1.208 -9.564 1.393 1.00 0.00 H new ATOM 1112 N ILE A 75 0.516 -7.229 -0.489 1.00 0.00 N ATOM 1113 CA ILE A 75 1.024 -5.881 -0.218 1.00 0.00 C ATOM 1114 C ILE A 75 -0.183 -4.988 0.117 1.00 0.00 C ATOM 1115 O ILE A 75 -0.819 -4.441 -0.789 1.00 0.00 O ATOM 1116 CB ILE A 75 1.864 -5.395 -1.429 1.00 0.00 C ATOM 1117 CG1 ILE A 75 3.033 -6.342 -1.806 1.00 0.00 C ATOM 1118 CG2 ILE A 75 2.390 -3.956 -1.234 1.00 0.00 C ATOM 1119 CD1 ILE A 75 2.863 -7.054 -3.150 1.00 0.00 C ATOM 0 H ILE A 75 0.051 -7.304 -1.394 1.00 0.00 H new ATOM 0 HA ILE A 75 1.699 -5.851 0.637 1.00 0.00 H new ATOM 0 HB ILE A 75 1.166 -5.405 -2.266 1.00 0.00 H new ATOM 0 HG12 ILE A 75 3.958 -5.766 -1.829 1.00 0.00 H new ATOM 0 HG13 ILE A 75 3.144 -7.092 -1.023 1.00 0.00 H new ATOM 0 HG21 ILE A 75 2.972 -3.660 -2.107 1.00 0.00 H new ATOM 0 HG22 ILE A 75 1.548 -3.275 -1.111 1.00 0.00 H new ATOM 0 HG23 ILE A 75 3.022 -3.917 -0.347 1.00 0.00 H new ATOM 0 HD11 ILE A 75 3.725 -7.695 -3.334 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.958 -7.661 -3.128 1.00 0.00 H new ATOM 0 HD13 ILE A 75 2.785 -6.314 -3.946 1.00 0.00 H new ATOM 1131 N SER A 76 -0.558 -4.875 1.399 1.00 0.00 N ATOM 1132 CA SER A 76 -1.719 -4.104 1.844 1.00 0.00 C ATOM 1133 C SER A 76 -1.364 -2.638 2.026 1.00 0.00 C ATOM 1134 O SER A 76 -0.745 -2.242 3.016 1.00 0.00 O ATOM 1135 CB SER A 76 -2.385 -4.718 3.095 1.00 0.00 C ATOM 1136 OG SER A 76 -1.514 -4.997 4.173 1.00 0.00 O ATOM 0 H SER A 76 -0.054 -5.324 2.164 1.00 0.00 H new ATOM 0 HA SER A 76 -2.470 -4.155 1.056 1.00 0.00 H new ATOM 0 HB2 SER A 76 -3.160 -4.036 3.444 1.00 0.00 H new ATOM 0 HB3 SER A 76 -2.882 -5.643 2.803 1.00 0.00 H new ATOM 0 HG SER A 76 -2.025 -5.380 4.916 1.00 0.00 H new ATOM 1142 N VAL A 77 -1.800 -1.824 1.068 1.00 0.00 N ATOM 1143 CA VAL A 77 -1.654 -0.384 1.111 1.00 0.00 C ATOM 1144 C VAL A 77 -2.978 0.176 1.622 1.00 0.00 C ATOM 1145 O VAL A 77 -4.034 -0.032 1.006 1.00 0.00 O ATOM 1146 CB VAL A 77 -1.255 0.150 -0.274 1.00 0.00 C ATOM 1147 CG1 VAL A 77 -1.040 1.677 -0.251 1.00 0.00 C ATOM 1148 CG2 VAL A 77 -0.042 -0.626 -0.835 1.00 0.00 C ATOM 0 H VAL A 77 -2.272 -2.159 0.228 1.00 0.00 H new ATOM 0 HA VAL A 77 -0.855 -0.069 1.782 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.082 -0.025 -0.962 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -0.759 2.020 -1.247 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -1.963 2.170 0.056 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -0.246 1.922 0.455 1.00 0.00 H new ATOM 0 HG21 VAL A 77 0.221 -0.230 -1.816 1.00 0.00 H new ATOM 0 HG22 VAL A 77 0.806 -0.514 -0.159 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -0.296 -1.682 -0.927 1.00 0.00 H new ATOM 1158 N ILE A 78 -2.932 0.872 2.754 1.00 0.00 N ATOM 1159 CA ILE A 78 -4.077 1.491 3.397 1.00 0.00 C ATOM 1160 C ILE A 78 -3.860 3.002 3.409 1.00 0.00 C ATOM 1161 O ILE A 78 -2.751 3.485 3.639 1.00 0.00 O ATOM 1162 CB ILE A 78 -4.318 0.876 4.791 1.00 0.00 C ATOM 1163 CG1 ILE A 78 -4.664 -0.625 4.623 1.00 0.00 C ATOM 1164 CG2 ILE A 78 -5.435 1.631 5.523 1.00 0.00 C ATOM 1165 CD1 ILE A 78 -5.257 -1.303 5.862 1.00 0.00 C ATOM 0 H ILE A 78 -2.062 1.024 3.264 1.00 0.00 H new ATOM 0 HA ILE A 78 -4.995 1.296 2.842 1.00 0.00 H new ATOM 0 HB ILE A 78 -3.417 0.964 5.397 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -5.371 -0.728 3.800 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -3.759 -1.160 4.335 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -5.593 1.185 6.505 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -5.151 2.677 5.641 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -6.356 1.569 4.944 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -5.464 -2.350 5.640 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -4.547 -1.240 6.686 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -6.183 -0.802 6.143 1.00 0.00 H new ATOM 1177 N THR A 79 -4.929 3.747 3.149 1.00 0.00 N ATOM 1178 CA THR A 79 -4.965 5.191 3.155 1.00 0.00 C ATOM 1179 C THR A 79 -5.695 5.609 4.422 1.00 0.00 C ATOM 1180 O THR A 79 -6.730 5.031 4.763 1.00 0.00 O ATOM 1181 CB THR A 79 -5.669 5.642 1.874 1.00 0.00 C ATOM 1182 OG1 THR A 79 -4.886 5.252 0.768 1.00 0.00 O ATOM 1183 CG2 THR A 79 -5.878 7.158 1.822 1.00 0.00 C ATOM 0 H THR A 79 -5.832 3.333 2.918 1.00 0.00 H new ATOM 0 HA THR A 79 -3.978 5.654 3.164 1.00 0.00 H new ATOM 0 HB THR A 79 -6.653 5.173 1.853 1.00 0.00 H new ATOM 0 HG1 THR A 79 -5.449 4.783 0.117 1.00 0.00 H new ATOM 0 HG21 THR A 79 -6.381 7.424 0.893 1.00 0.00 H new ATOM 0 HG22 THR A 79 -6.490 7.470 2.668 1.00 0.00 H new ATOM 0 HG23 THR A 79 -4.912 7.660 1.868 1.00 0.00 H new ATOM 1191 N LEU A 80 -5.135 6.588 5.131 1.00 0.00 N ATOM 1192 CA LEU A 80 -5.664 7.078 6.379 1.00 0.00 C ATOM 1193 C LEU A 80 -5.751 8.599 6.286 1.00 0.00 C ATOM 1194 O LEU A 80 -4.739 9.298 6.145 1.00 0.00 O ATOM 1195 CB LEU A 80 -4.840 6.599 7.573 1.00 0.00 C ATOM 1196 CG LEU A 80 -3.314 6.484 7.382 1.00 0.00 C ATOM 1197 CD1 LEU A 80 -2.612 6.725 8.719 1.00 0.00 C ATOM 1198 CD2 LEU A 80 -2.900 5.105 6.855 1.00 0.00 C ATOM 0 H LEU A 80 -4.283 7.065 4.838 1.00 0.00 H new ATOM 0 HA LEU A 80 -6.662 6.675 6.550 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.025 7.279 8.404 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -5.217 5.621 7.871 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.021 7.234 6.647 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.534 6.644 8.584 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.858 7.722 9.084 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.944 5.981 9.443 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -1.817 5.071 6.736 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.212 4.337 7.562 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.376 4.926 5.891 1.00 0.00 H new ATOM 1210 N ILE A 81 -6.981 9.103 6.336 1.00 0.00 N ATOM 1211 CA ILE A 81 -7.325 10.509 6.157 1.00 0.00 C ATOM 1212 C ILE A 81 -7.642 11.105 7.530 1.00 0.00 C ATOM 1213 O ILE A 81 -7.255 10.525 8.538 1.00 0.00 O ATOM 1214 CB ILE A 81 -8.403 10.713 5.062 1.00 0.00 C ATOM 1215 CG1 ILE A 81 -9.840 10.425 5.541 1.00 0.00 C ATOM 1216 CG2 ILE A 81 -8.094 9.877 3.804 1.00 0.00 C ATOM 1217 CD1 ILE A 81 -10.899 11.168 4.714 1.00 0.00 C ATOM 0 H ILE A 81 -7.798 8.518 6.510 1.00 0.00 H new ATOM 0 HA ILE A 81 -6.480 11.070 5.759 1.00 0.00 H new ATOM 0 HB ILE A 81 -8.359 11.774 4.814 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -10.029 9.353 5.487 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -9.934 10.713 6.588 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -8.870 10.044 3.057 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -7.128 10.175 3.397 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -8.066 8.820 4.068 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -11.892 10.929 5.095 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -10.731 12.242 4.789 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -10.827 10.861 3.671 1.00 0.00 H new ATOM 1229 N ASN A 82 -8.279 12.281 7.578 1.00 0.00 N ATOM 1230 CA ASN A 82 -8.875 12.844 8.795 1.00 0.00 C ATOM 1231 C ASN A 82 -9.447 11.741 9.688 1.00 0.00 C ATOM 1232 O ASN A 82 -10.542 11.248 9.404 1.00 0.00 O ATOM 1233 CB ASN A 82 -10.008 13.817 8.430 1.00 0.00 C ATOM 1234 CG ASN A 82 -10.744 14.319 9.667 1.00 0.00 C ATOM 1235 OD1 ASN A 82 -10.427 15.372 10.220 1.00 0.00 O ATOM 1236 ND2 ASN A 82 -11.752 13.590 10.107 1.00 0.00 N ATOM 0 H ASN A 82 -8.397 12.878 6.759 1.00 0.00 H new ATOM 0 HA ASN A 82 -8.088 13.371 9.335 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -9.596 14.665 7.883 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -10.713 13.320 7.764 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -12.286 13.896 10.921 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -11.998 12.721 9.633 1.00 0.00 H new ATOM 1243 N GLY A 83 -8.683 11.369 10.718 1.00 0.00 N ATOM 1244 CA GLY A 83 -8.920 10.324 11.701 1.00 0.00 C ATOM 1245 C GLY A 83 -9.850 9.234 11.204 1.00 0.00 C ATOM 1246 O GLY A 83 -10.939 9.097 11.770 1.00 0.00 O ATOM 0 H GLY A 83 -7.797 11.843 10.896 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -7.967 9.878 11.984 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -9.343 10.770 12.601 1.00 0.00 H new ATOM 1250 N GLY A 84 -9.473 8.541 10.135 1.00 0.00 N ATOM 1251 CA GLY A 84 -10.355 7.626 9.441 1.00 0.00 C ATOM 1252 C GLY A 84 -9.562 6.858 8.389 1.00 0.00 C ATOM 1253 O GLY A 84 -8.431 7.232 8.068 1.00 0.00 O ATOM 0 H GLY A 84 -8.540 8.603 9.728 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -10.808 6.932 10.149 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -11.169 8.176 8.969 1.00 0.00 H new ATOM 1257 N GLU A 85 -10.134 5.784 7.852 1.00 0.00 N ATOM 1258 CA GLU A 85 -9.456 4.819 6.996 1.00 0.00 C ATOM 1259 C GLU A 85 -10.300 4.616 5.744 1.00 0.00 C ATOM 1260 O GLU A 85 -11.536 4.626 5.813 1.00 0.00 O ATOM 1261 CB GLU A 85 -9.275 3.490 7.760 1.00 0.00 C ATOM 1262 CG GLU A 85 -8.351 2.524 7.002 1.00 0.00 C ATOM 1263 CD GLU A 85 -8.211 1.135 7.645 1.00 0.00 C ATOM 1264 OE1 GLU A 85 -9.090 0.283 7.399 1.00 0.00 O ATOM 1265 OE2 GLU A 85 -7.187 0.861 8.324 1.00 0.00 O ATOM 0 H GLU A 85 -11.116 5.555 8.007 1.00 0.00 H new ATOM 0 HA GLU A 85 -8.469 5.182 6.711 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -8.861 3.691 8.748 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -10.247 3.021 7.911 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -8.728 2.403 5.986 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -7.362 2.975 6.923 1.00 0.00 H new ATOM 1272 N SER A 86 -9.648 4.368 4.609 1.00 0.00 N ATOM 1273 CA SER A 86 -10.342 4.089 3.370 1.00 0.00 C ATOM 1274 C SER A 86 -10.716 2.607 3.301 1.00 0.00 C ATOM 1275 O SER A 86 -10.614 1.857 4.278 1.00 0.00 O ATOM 1276 CB SER A 86 -9.510 4.526 2.169 1.00 0.00 C ATOM 1277 OG SER A 86 -8.881 5.777 2.358 1.00 0.00 O ATOM 0 H SER A 86 -8.631 4.357 4.531 1.00 0.00 H new ATOM 0 HA SER A 86 -11.265 4.668 3.342 1.00 0.00 H new ATOM 0 HB2 SER A 86 -8.751 3.771 1.966 1.00 0.00 H new ATOM 0 HB3 SER A 86 -10.151 4.577 1.289 1.00 0.00 H new ATOM 0 HG SER A 86 -8.973 6.316 1.545 1.00 0.00 H new ATOM 1283 N ALA A 87 -11.217 2.175 2.149 1.00 0.00 N ATOM 1284 CA ALA A 87 -11.253 0.757 1.846 1.00 0.00 C ATOM 1285 C ALA A 87 -9.820 0.342 1.477 1.00 0.00 C ATOM 1286 O ALA A 87 -9.153 1.080 0.738 1.00 0.00 O ATOM 1287 CB ALA A 87 -12.226 0.512 0.704 1.00 0.00 C ATOM 0 H ALA A 87 -11.598 2.780 1.421 1.00 0.00 H new ATOM 0 HA ALA A 87 -11.597 0.165 2.694 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -12.256 -0.553 0.473 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -13.221 0.848 0.995 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -11.900 1.065 -0.177 1.00 0.00 H new ATOM 1293 N PRO A 88 -9.307 -0.791 1.975 1.00 0.00 N ATOM 1294 CA PRO A 88 -7.935 -1.211 1.726 1.00 0.00 C ATOM 1295 C PRO A 88 -7.745 -1.614 0.263 1.00 0.00 C ATOM 1296 O PRO A 88 -8.684 -2.076 -0.390 1.00 0.00 O ATOM 1297 CB PRO A 88 -7.705 -2.397 2.665 1.00 0.00 C ATOM 1298 CG PRO A 88 -9.103 -2.984 2.859 1.00 0.00 C ATOM 1299 CD PRO A 88 -9.985 -1.741 2.840 1.00 0.00 C ATOM 0 HA PRO A 88 -7.221 -0.408 1.910 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -7.022 -3.126 2.229 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -7.270 -2.079 3.612 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -9.365 -3.681 2.063 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -9.188 -3.528 3.799 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -10.981 -1.973 2.462 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -10.112 -1.335 3.844 1.00 0.00 H new ATOM 1307 N THR A 89 -6.511 -1.532 -0.234 1.00 0.00 N ATOM 1308 CA THR A 89 -6.116 -2.139 -1.493 1.00 0.00 C ATOM 1309 C THR A 89 -4.887 -2.983 -1.190 1.00 0.00 C ATOM 1310 O THR A 89 -3.768 -2.475 -1.113 1.00 0.00 O ATOM 1311 CB THR A 89 -5.930 -1.098 -2.616 1.00 0.00 C ATOM 1312 OG1 THR A 89 -7.150 -0.390 -2.804 1.00 0.00 O ATOM 1313 CG2 THR A 89 -5.548 -1.749 -3.945 1.00 0.00 C ATOM 0 H THR A 89 -5.754 -1.036 0.236 1.00 0.00 H new ATOM 0 HA THR A 89 -6.899 -2.781 -1.896 1.00 0.00 H new ATOM 0 HB THR A 89 -5.124 -0.430 -2.313 1.00 0.00 H new ATOM 0 HG1 THR A 89 -7.820 -0.991 -3.192 1.00 0.00 H new ATOM 0 HG21 THR A 89 -5.428 -0.978 -4.706 1.00 0.00 H new ATOM 0 HG22 THR A 89 -4.611 -2.293 -3.828 1.00 0.00 H new ATOM 0 HG23 THR A 89 -6.333 -2.441 -4.250 1.00 0.00 H new ATOM 1321 N THR A 90 -5.114 -4.281 -1.009 1.00 0.00 N ATOM 1322 CA THR A 90 -4.055 -5.266 -1.059 1.00 0.00 C ATOM 1323 C THR A 90 -4.056 -5.774 -2.493 1.00 0.00 C ATOM 1324 O THR A 90 -5.006 -6.448 -2.901 1.00 0.00 O ATOM 1325 CB THR A 90 -4.326 -6.398 -0.058 1.00 0.00 C ATOM 1326 OG1 THR A 90 -4.627 -5.883 1.219 1.00 0.00 O ATOM 1327 CG2 THR A 90 -3.141 -7.366 0.047 1.00 0.00 C ATOM 0 H THR A 90 -6.038 -4.672 -0.824 1.00 0.00 H new ATOM 0 HA THR A 90 -3.085 -4.849 -0.786 1.00 0.00 H new ATOM 0 HB THR A 90 -5.187 -6.950 -0.435 1.00 0.00 H new ATOM 0 HG1 THR A 90 -4.797 -6.623 1.838 1.00 0.00 H new ATOM 0 HG21 THR A 90 -3.375 -8.151 0.766 1.00 0.00 H new ATOM 0 HG22 THR A 90 -2.949 -7.813 -0.928 1.00 0.00 H new ATOM 0 HG23 THR A 90 -2.256 -6.823 0.378 1.00 0.00 H new ATOM 1335 N LEU A 91 -3.038 -5.420 -3.274 1.00 0.00 N ATOM 1336 CA LEU A 91 -2.672 -6.200 -4.452 1.00 0.00 C ATOM 1337 C LEU A 91 -1.677 -7.259 -3.967 1.00 0.00 C ATOM 1338 O LEU A 91 -0.996 -7.048 -2.958 1.00 0.00 O ATOM 1339 CB LEU A 91 -2.045 -5.299 -5.530 1.00 0.00 C ATOM 1340 CG LEU A 91 -3.049 -4.604 -6.465 1.00 0.00 C ATOM 1341 CD1 LEU A 91 -2.308 -3.555 -7.304 1.00 0.00 C ATOM 1342 CD2 LEU A 91 -3.742 -5.594 -7.411 1.00 0.00 C ATOM 0 H LEU A 91 -2.454 -4.600 -3.112 1.00 0.00 H new ATOM 0 HA LEU A 91 -3.545 -6.664 -4.910 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -1.442 -4.536 -5.038 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -1.366 -5.901 -6.134 1.00 0.00 H new ATOM 0 HG LEU A 91 -3.815 -4.141 -5.843 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -3.013 -3.057 -7.970 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -1.850 -2.818 -6.644 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -1.533 -4.043 -7.895 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -4.441 -5.057 -8.051 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -2.994 -6.092 -8.028 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -4.283 -6.338 -6.826 1.00 0.00 H new ATOM 1354 N THR A 92 -1.575 -8.375 -4.678 1.00 0.00 N ATOM 1355 CA THR A 92 -0.673 -9.472 -4.334 1.00 0.00 C ATOM 1356 C THR A 92 0.165 -9.800 -5.573 1.00 0.00 C ATOM 1357 O THR A 92 -0.320 -9.608 -6.695 1.00 0.00 O ATOM 1358 CB THR A 92 -1.514 -10.645 -3.800 1.00 0.00 C ATOM 1359 OG1 THR A 92 -2.146 -10.259 -2.595 1.00 0.00 O ATOM 1360 CG2 THR A 92 -0.754 -11.938 -3.555 1.00 0.00 C ATOM 0 H THR A 92 -2.123 -8.548 -5.521 1.00 0.00 H new ATOM 0 HA THR A 92 0.029 -9.215 -3.540 1.00 0.00 H new ATOM 0 HB THR A 92 -2.228 -10.865 -4.593 1.00 0.00 H new ATOM 0 HG1 THR A 92 -2.683 -11.004 -2.254 1.00 0.00 H new ATOM 0 HG21 THR A 92 -1.440 -12.698 -3.180 1.00 0.00 H new ATOM 0 HG22 THR A 92 -0.308 -12.280 -4.489 1.00 0.00 H new ATOM 0 HG23 THR A 92 0.032 -11.764 -2.820 1.00 0.00 H new ATOM 1368 N GLN A 93 1.418 -10.243 -5.415 1.00 0.00 N ATOM 1369 CA GLN A 93 2.319 -10.446 -6.542 1.00 0.00 C ATOM 1370 C GLN A 93 3.397 -11.469 -6.192 1.00 0.00 C ATOM 1371 O GLN A 93 4.112 -11.284 -5.206 1.00 0.00 O ATOM 1372 CB GLN A 93 2.940 -9.087 -6.915 1.00 0.00 C ATOM 1373 CG GLN A 93 3.597 -9.099 -8.297 1.00 0.00 C ATOM 1374 CD GLN A 93 2.609 -9.475 -9.395 1.00 0.00 C ATOM 1375 OE1 GLN A 93 1.564 -8.842 -9.547 1.00 0.00 O ATOM 1376 NE2 GLN A 93 2.887 -10.516 -10.164 1.00 0.00 N ATOM 0 H GLN A 93 1.828 -10.467 -4.508 1.00 0.00 H new ATOM 0 HA GLN A 93 1.768 -10.841 -7.396 1.00 0.00 H new ATOM 0 HB2 GLN A 93 2.166 -8.320 -6.891 1.00 0.00 H new ATOM 0 HB3 GLN A 93 3.683 -8.814 -6.166 1.00 0.00 H new ATOM 0 HG2 GLN A 93 4.016 -8.115 -8.508 1.00 0.00 H new ATOM 0 HG3 GLN A 93 4.427 -9.806 -8.298 1.00 0.00 H new ATOM 0 HE21 GLN A 93 3.756 -11.033 -10.028 1.00 0.00 H new ATOM 0 HE22 GLN A 93 2.232 -10.802 -10.892 1.00 0.00 H new ATOM 1385 N GLN A 94 3.519 -12.533 -7.001 1.00 0.00 N ATOM 1386 CA GLN A 94 4.350 -13.678 -6.631 1.00 0.00 C ATOM 1387 C GLN A 94 5.845 -13.353 -6.591 1.00 0.00 C ATOM 1388 O GLN A 94 6.561 -13.995 -5.841 1.00 0.00 O ATOM 1389 CB GLN A 94 4.049 -14.902 -7.496 1.00 0.00 C ATOM 1390 CG GLN A 94 4.623 -16.211 -6.909 1.00 0.00 C ATOM 1391 CD GLN A 94 5.759 -16.778 -7.756 1.00 0.00 C ATOM 1392 OE1 GLN A 94 5.570 -17.773 -8.453 1.00 0.00 O ATOM 1393 NE2 GLN A 94 6.936 -16.176 -7.741 1.00 0.00 N ATOM 0 H GLN A 94 3.056 -12.620 -7.906 1.00 0.00 H new ATOM 0 HA GLN A 94 4.076 -13.930 -5.606 1.00 0.00 H new ATOM 0 HB2 GLN A 94 2.970 -15.004 -7.609 1.00 0.00 H new ATOM 0 HB3 GLN A 94 4.461 -14.746 -8.493 1.00 0.00 H new ATOM 0 HG2 GLN A 94 4.985 -16.025 -5.898 1.00 0.00 H new ATOM 0 HG3 GLN A 94 3.827 -16.951 -6.831 1.00 0.00 H new ATOM 0 HE21 GLN A 94 7.080 -15.351 -7.158 1.00 0.00 H new ATOM 0 HE22 GLN A 94 7.700 -16.536 -8.312 1.00 0.00 H new ATOM 1402 N THR A 95 6.276 -12.365 -7.373 1.00 0.00 N ATOM 1403 CA THR A 95 7.564 -11.674 -7.349 1.00 0.00 C ATOM 1404 C THR A 95 8.791 -12.598 -7.250 1.00 0.00 C ATOM 1405 O THR A 95 8.715 -13.819 -7.509 1.00 0.00 O ATOM 1406 CB THR A 95 7.499 -10.540 -6.295 1.00 0.00 C ATOM 1407 OG1 THR A 95 6.214 -9.938 -6.283 1.00 0.00 O ATOM 1408 CG2 THR A 95 8.452 -9.378 -6.597 1.00 0.00 C ATOM 1409 OXT THR A 95 9.915 -12.048 -7.189 1.00 0.00 O ATOM 0 H THR A 95 5.676 -11.993 -8.109 1.00 0.00 H new ATOM 0 HA THR A 95 7.733 -11.217 -8.324 1.00 0.00 H new ATOM 0 HB THR A 95 7.761 -11.027 -5.356 1.00 0.00 H new ATOM 0 HG1 THR A 95 5.592 -10.505 -5.781 1.00 0.00 H new ATOM 0 HG21 THR A 95 8.357 -8.618 -5.821 1.00 0.00 H new ATOM 0 HG22 THR A 95 9.478 -9.746 -6.621 1.00 0.00 H new ATOM 0 HG23 THR A 95 8.200 -8.943 -7.564 1.00 0.00 H new TER 1417 THR A 95