USER MOD reduce.3.24.130724 H: found=0, std=0, add=944, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 944 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 31 LYS NZ :NH3+ 180:sc= -1.35 (180deg=-1.37) USER MOD Set 1.2: A 50 THR OG1 : rot 180:sc= 0.0142 USER MOD Set 2.1: A 37 TYR OH : rot 76:sc= 0.657 USER MOD Set 2.2: A 41 ASN : amide:sc= -1.51 X(o=-0.86,f=-1.1) USER MOD Set 3.1: A 33 TYR OH : rot 30:sc= -0.209 USER MOD Set 3.2: A 82 LYS NZ :NH3+ 173:sc= 1.2 (180deg=0) USER MOD Set 3.3: A 113 ASN : amide:sc= 1.02 K(o=2,f=-2.9) USER MOD Set 4.1: A 26 SER OG : rot -160:sc= -1.34 USER MOD Set 4.2: A 29 ASN : amide:sc= -0.919 K(o=-2.3,f=-3.2!) USER MOD Set 5.1: A 24 SER OG : rot -170:sc=0.000334 USER MOD Set 5.2: A 25 ASN : amide:sc= -8.15! C(o=-8.1!,f=-15!) USER MOD Set 6.1: A 8 THR OG1 : rot 104:sc= 0.21 USER MOD Set 6.2: A 78 THR OG1 : rot 180:sc= -1.28 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot -72:sc= -0.599 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot -69:sc= 0.128 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -3.59! C(o=-3.6!,f=-8.6!) USER MOD Single : A 32 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.027) USER MOD Single : A 45 ASN : amide:sc= -0.428 X(o=-0.43,f=-0.024) USER MOD Single : A 48 HIS : no HE2:sc= -7.39! C(o=-7.4!,f=-10!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -5.36! C(o=-5.4!,f=-5.6!) USER MOD Single : A 60 ASN : amide:sc= -0.554 K(o=-0.55,f=0) USER MOD Single : A 65 GLN : amide:sc= -0.288 X(o=-0.29,f=-0.073) USER MOD Single : A 66 SER OG : rot 140:sc= 0.154 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= -0.142 K(o=-0.14,f=-2!) USER MOD Single : A 84 MET CE :methyl 144:sc= -4.19! (180deg=-6.56!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= -0.365 X(o=-0.36,f=-0.37) USER MOD Single : A 91 TYR OH : rot -161:sc= 1.23 USER MOD Single : A 93 GLN : amide:sc= -0.591 X(o=-0.59,f=-0.45) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot -7:sc= -0.0615 USER MOD Single : A 104 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 LYS NZ :NH3+ -173:sc= -3.82! (180deg=-4.1!) USER MOD Single : A 106 ASN : amide:sc= -0.858 K(o=-0.86,f=-9.1!) USER MOD Single : A 114 ASN : amide:sc= -0.334 K(o=-0.33,f=-2.1!) USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 56:sc= 0.449 USER MOD Single : A 119 ASN : amide:sc= 0.149 X(o=0.15,f=0) USER MOD Single : A 120 ASN : amide:sc= -0.0926 K(o=-0.093,f=-2.5) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 15.340 -11.763 17.748 1.00 0.00 N ATOM 2 CA GLY A 1 13.960 -12.302 17.876 1.00 0.00 C ATOM 3 C GLY A 1 13.198 -11.697 19.042 1.00 0.00 C ATOM 4 O GLY A 1 13.596 -11.859 20.197 1.00 0.00 O ATOM 0 H1 GLY A 1 15.813 -12.210 16.937 1.00 0.00 H new ATOM 0 H2 GLY A 1 15.299 -10.734 17.601 1.00 0.00 H new ATOM 0 H3 GLY A 1 15.874 -11.967 18.617 1.00 0.00 H new ATOM 0 HA2 GLY A 1 13.413 -12.111 16.952 1.00 0.00 H new ATOM 0 HA3 GLY A 1 14.007 -13.384 18.001 1.00 0.00 H new ATOM 10 N SER A 2 12.095 -11.005 18.734 1.00 0.00 N ATOM 11 CA SER A 2 11.253 -10.371 19.753 1.00 0.00 C ATOM 12 C SER A 2 11.945 -9.162 20.385 1.00 0.00 C ATOM 13 O SER A 2 12.920 -9.308 21.126 1.00 0.00 O ATOM 14 CB SER A 2 10.874 -11.378 20.840 1.00 0.00 C ATOM 15 OG SER A 2 9.489 -11.316 21.132 1.00 0.00 O ATOM 0 H SER A 2 11.763 -10.870 17.779 1.00 0.00 H new ATOM 0 HA SER A 2 10.348 -10.022 19.255 1.00 0.00 H new ATOM 0 HB2 SER A 2 11.135 -12.385 20.514 1.00 0.00 H new ATOM 0 HB3 SER A 2 11.449 -11.176 21.744 1.00 0.00 H new ATOM 0 HG SER A 2 9.272 -11.970 21.828 1.00 0.00 H new ATOM 21 N ARG A 3 11.425 -7.969 20.091 1.00 0.00 N ATOM 22 CA ARG A 3 11.981 -6.727 20.628 1.00 0.00 C ATOM 23 C ARG A 3 11.072 -5.538 20.313 1.00 0.00 C ATOM 24 O ARG A 3 10.527 -4.908 21.220 1.00 0.00 O ATOM 25 CB ARG A 3 13.382 -6.484 20.060 1.00 0.00 C ATOM 26 CG ARG A 3 14.487 -6.575 21.101 1.00 0.00 C ATOM 27 CD ARG A 3 15.111 -5.216 21.376 1.00 0.00 C ATOM 28 NE ARG A 3 16.091 -5.269 22.460 1.00 0.00 N ATOM 29 CZ ARG A 3 16.559 -4.193 23.099 1.00 0.00 C ATOM 30 NH1 ARG A 3 16.139 -2.974 22.769 1.00 0.00 N ATOM 31 NH2 ARG A 3 17.452 -4.338 24.072 1.00 0.00 N ATOM 0 H ARG A 3 10.617 -7.837 19.482 1.00 0.00 H new ATOM 0 HA ARG A 3 12.049 -6.827 21.711 1.00 0.00 H new ATOM 0 HB2 ARG A 3 13.576 -7.212 19.272 1.00 0.00 H new ATOM 0 HB3 ARG A 3 13.411 -5.498 19.597 1.00 0.00 H new ATOM 0 HG2 ARG A 3 14.083 -6.984 22.027 1.00 0.00 H new ATOM 0 HG3 ARG A 3 15.256 -7.266 20.756 1.00 0.00 H new ATOM 0 HD2 ARG A 3 15.593 -4.849 20.470 1.00 0.00 H new ATOM 0 HD3 ARG A 3 14.327 -4.503 21.631 1.00 0.00 H new ATOM 0 HE ARG A 3 16.439 -6.184 22.746 1.00 0.00 H new ATOM 0 HH11 ARG A 3 15.454 -2.855 22.023 1.00 0.00 H new ATOM 0 HH12 ARG A 3 16.502 -2.159 23.263 1.00 0.00 H new ATOM 0 HH21 ARG A 3 17.779 -5.269 24.330 1.00 0.00 H new ATOM 0 HH22 ARG A 3 17.811 -3.518 24.561 1.00 0.00 H new ATOM 45 N THR A 4 10.913 -5.242 19.021 1.00 0.00 N ATOM 46 CA THR A 4 10.067 -4.133 18.578 1.00 0.00 C ATOM 47 C THR A 4 9.049 -4.612 17.543 1.00 0.00 C ATOM 48 O THR A 4 7.842 -4.514 17.762 1.00 0.00 O ATOM 49 CB THR A 4 10.912 -2.996 17.993 1.00 0.00 C ATOM 50 OG1 THR A 4 12.275 -3.375 17.858 1.00 0.00 O ATOM 51 CG2 THR A 4 10.864 -1.731 18.822 1.00 0.00 C ATOM 0 H THR A 4 11.360 -5.756 18.262 1.00 0.00 H new ATOM 0 HA THR A 4 9.533 -3.754 19.449 1.00 0.00 H new ATOM 0 HB THR A 4 10.472 -2.794 17.016 1.00 0.00 H new ATOM 0 HG1 THR A 4 12.786 -2.629 17.481 1.00 0.00 H new ATOM 0 HG21 THR A 4 11.483 -0.965 18.354 1.00 0.00 H new ATOM 0 HG22 THR A 4 9.835 -1.377 18.886 1.00 0.00 H new ATOM 0 HG23 THR A 4 11.240 -1.938 19.824 1.00 0.00 H new ATOM 59 N SER A 5 9.549 -5.136 16.420 1.00 0.00 N ATOM 60 CA SER A 5 8.696 -5.644 15.345 1.00 0.00 C ATOM 61 C SER A 5 7.878 -4.532 14.691 1.00 0.00 C ATOM 62 O SER A 5 6.792 -4.185 15.157 1.00 0.00 O ATOM 63 CB SER A 5 7.765 -6.745 15.863 1.00 0.00 C ATOM 64 OG SER A 5 8.317 -8.029 15.631 1.00 0.00 O ATOM 0 H SER A 5 10.548 -5.219 16.233 1.00 0.00 H new ATOM 0 HA SER A 5 9.356 -6.064 14.586 1.00 0.00 H new ATOM 0 HB2 SER A 5 7.592 -6.607 16.930 1.00 0.00 H new ATOM 0 HB3 SER A 5 6.796 -6.668 15.370 1.00 0.00 H new ATOM 0 HG SER A 5 7.705 -8.715 15.972 1.00 0.00 H new ATOM 70 N ARG A 6 8.404 -4.000 13.587 1.00 0.00 N ATOM 71 CA ARG A 6 7.722 -2.949 12.824 1.00 0.00 C ATOM 72 C ARG A 6 6.503 -3.556 12.103 1.00 0.00 C ATOM 73 O ARG A 6 5.938 -4.530 12.601 1.00 0.00 O ATOM 74 CB ARG A 6 8.701 -2.262 11.850 1.00 0.00 C ATOM 75 CG ARG A 6 9.767 -3.163 11.247 1.00 0.00 C ATOM 76 CD ARG A 6 9.163 -4.254 10.380 1.00 0.00 C ATOM 77 NE ARG A 6 8.774 -5.425 11.162 1.00 0.00 N ATOM 78 CZ ARG A 6 9.625 -6.362 11.584 1.00 0.00 C ATOM 79 NH1 ARG A 6 10.920 -6.282 11.290 1.00 0.00 N ATOM 80 NH2 ARG A 6 9.178 -7.382 12.306 1.00 0.00 N ATOM 0 H ARG A 6 9.304 -4.280 13.198 1.00 0.00 H new ATOM 0 HA ARG A 6 7.362 -2.173 13.500 1.00 0.00 H new ATOM 0 HB2 ARG A 6 8.126 -1.816 11.039 1.00 0.00 H new ATOM 0 HB3 ARG A 6 9.196 -1.445 12.376 1.00 0.00 H new ATOM 0 HG2 ARG A 6 10.454 -2.563 10.650 1.00 0.00 H new ATOM 0 HG3 ARG A 6 10.353 -3.617 12.046 1.00 0.00 H new ATOM 0 HD2 ARG A 6 8.290 -3.861 9.859 1.00 0.00 H new ATOM 0 HD3 ARG A 6 9.883 -4.551 9.617 1.00 0.00 H new ATOM 0 HE ARG A 6 7.788 -5.533 11.401 1.00 0.00 H new ATOM 0 HH11 ARG A 6 11.270 -5.499 10.737 1.00 0.00 H new ATOM 0 HH12 ARG A 6 11.563 -7.003 11.617 1.00 0.00 H new ATOM 0 HH21 ARG A 6 8.187 -7.448 12.537 1.00 0.00 H new ATOM 0 HH22 ARG A 6 9.826 -8.100 12.630 1.00 0.00 H new ATOM 94 N ILE A 7 6.062 -3.003 10.961 1.00 0.00 N ATOM 95 CA ILE A 7 4.885 -3.566 10.292 1.00 0.00 C ATOM 96 C ILE A 7 4.911 -3.511 8.764 1.00 0.00 C ATOM 97 O ILE A 7 5.710 -2.805 8.159 1.00 0.00 O ATOM 98 CB ILE A 7 3.589 -2.878 10.760 1.00 0.00 C ATOM 99 CG1 ILE A 7 3.460 -1.462 10.172 1.00 0.00 C ATOM 100 CG2 ILE A 7 3.510 -2.848 12.279 1.00 0.00 C ATOM 101 CD1 ILE A 7 2.235 -1.276 9.290 1.00 0.00 C ATOM 0 H ILE A 7 6.485 -2.198 10.499 1.00 0.00 H new ATOM 0 HA ILE A 7 4.911 -4.616 10.582 1.00 0.00 H new ATOM 0 HB ILE A 7 2.749 -3.465 10.388 1.00 0.00 H new ATOM 0 HG12 ILE A 7 3.422 -0.741 10.989 1.00 0.00 H new ATOM 0 HG13 ILE A 7 4.354 -1.237 9.590 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.586 -2.357 12.586 1.00 0.00 H new ATOM 0 HG22 ILE A 7 3.525 -3.868 12.664 1.00 0.00 H new ATOM 0 HG23 ILE A 7 4.363 -2.298 12.677 1.00 0.00 H new ATOM 0 HD11 ILE A 7 2.211 -0.254 8.912 1.00 0.00 H new ATOM 0 HD12 ILE A 7 2.281 -1.972 8.452 1.00 0.00 H new ATOM 0 HD13 ILE A 7 1.334 -1.468 9.873 1.00 0.00 H new ATOM 113 N THR A 8 3.968 -4.256 8.167 1.00 0.00 N ATOM 114 CA THR A 8 3.781 -4.318 6.716 1.00 0.00 C ATOM 115 C THR A 8 2.590 -3.442 6.341 1.00 0.00 C ATOM 116 O THR A 8 1.638 -3.334 7.118 1.00 0.00 O ATOM 117 CB THR A 8 3.542 -5.772 6.276 1.00 0.00 C ATOM 118 OG1 THR A 8 4.752 -6.513 6.294 1.00 0.00 O ATOM 119 CG2 THR A 8 2.948 -5.907 4.889 1.00 0.00 C ATOM 0 H THR A 8 3.309 -4.837 8.686 1.00 0.00 H new ATOM 0 HA THR A 8 4.675 -3.955 6.209 1.00 0.00 H new ATOM 0 HB THR A 8 2.823 -6.162 6.996 1.00 0.00 H new ATOM 0 HG1 THR A 8 4.770 -7.092 7.085 1.00 0.00 H new ATOM 0 HG21 THR A 8 2.810 -6.962 4.653 1.00 0.00 H new ATOM 0 HG22 THR A 8 1.984 -5.399 4.855 1.00 0.00 H new ATOM 0 HG23 THR A 8 3.622 -5.457 4.159 1.00 0.00 H new ATOM 127 N ALA A 9 2.634 -2.793 5.174 1.00 0.00 N ATOM 128 CA ALA A 9 1.536 -1.921 4.785 1.00 0.00 C ATOM 129 C ALA A 9 0.719 -2.469 3.631 1.00 0.00 C ATOM 130 O ALA A 9 1.213 -2.636 2.524 1.00 0.00 O ATOM 131 CB ALA A 9 2.047 -0.529 4.452 1.00 0.00 C ATOM 0 H ALA A 9 3.399 -2.855 4.502 1.00 0.00 H new ATOM 0 HA ALA A 9 0.869 -1.867 5.646 1.00 0.00 H new ATOM 0 HB1 ALA A 9 1.210 0.107 4.164 1.00 0.00 H new ATOM 0 HB2 ALA A 9 2.541 -0.104 5.326 1.00 0.00 H new ATOM 0 HB3 ALA A 9 2.757 -0.590 3.627 1.00 0.00 H new ATOM 137 N LEU A 10 -0.552 -2.711 3.912 1.00 0.00 N ATOM 138 CA LEU A 10 -1.495 -3.201 2.920 1.00 0.00 C ATOM 139 C LEU A 10 -2.523 -2.103 2.651 1.00 0.00 C ATOM 140 O LEU A 10 -3.411 -1.870 3.467 1.00 0.00 O ATOM 141 CB LEU A 10 -2.166 -4.464 3.456 1.00 0.00 C ATOM 142 CG LEU A 10 -2.748 -5.406 2.410 1.00 0.00 C ATOM 143 CD1 LEU A 10 -2.404 -6.849 2.751 1.00 0.00 C ATOM 144 CD2 LEU A 10 -4.248 -5.220 2.333 1.00 0.00 C ATOM 0 H LEU A 10 -0.959 -2.573 4.837 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.990 -3.450 1.987 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -1.436 -5.016 4.048 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -2.966 -4.167 4.134 1.00 0.00 H new ATOM 0 HG LEU A 10 -2.315 -5.172 1.437 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.826 -7.512 1.996 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.321 -6.969 2.775 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.819 -7.101 3.727 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -4.660 -5.896 1.584 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -4.692 -5.440 3.304 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -4.473 -4.190 2.056 1.00 0.00 H new ATOM 156 N TYR A 11 -2.374 -1.404 1.526 1.00 0.00 N ATOM 157 CA TYR A 11 -3.272 -0.295 1.187 1.00 0.00 C ATOM 158 C TYR A 11 -4.093 -0.606 -0.073 1.00 0.00 C ATOM 159 O TYR A 11 -3.535 -1.029 -1.088 1.00 0.00 O ATOM 160 CB TYR A 11 -2.432 0.990 1.052 1.00 0.00 C ATOM 161 CG TYR A 11 -2.936 2.014 0.062 1.00 0.00 C ATOM 162 CD1 TYR A 11 -4.073 2.765 0.327 1.00 0.00 C ATOM 163 CD2 TYR A 11 -2.253 2.251 -1.123 1.00 0.00 C ATOM 164 CE1 TYR A 11 -4.519 3.720 -0.565 1.00 0.00 C ATOM 165 CE2 TYR A 11 -2.689 3.207 -2.016 1.00 0.00 C ATOM 166 CZ TYR A 11 -3.823 3.939 -1.734 1.00 0.00 C ATOM 167 OH TYR A 11 -4.261 4.897 -2.620 1.00 0.00 O ATOM 0 H TYR A 11 -1.645 -1.583 0.836 1.00 0.00 H new ATOM 0 HA TYR A 11 -4.003 -0.148 1.982 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -2.369 1.463 2.032 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -1.418 0.709 0.768 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -4.617 2.600 1.245 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -1.366 1.678 -1.349 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -5.409 4.292 -0.348 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -2.145 3.382 -2.932 1.00 0.00 H new ATOM 0 HH TYR A 11 -5.076 4.583 -3.064 1.00 0.00 H new ATOM 177 N GLU A 12 -5.432 -0.436 0.006 1.00 0.00 N ATOM 178 CA GLU A 12 -6.300 -0.757 -1.143 1.00 0.00 C ATOM 179 C GLU A 12 -7.588 0.079 -1.224 1.00 0.00 C ATOM 180 O GLU A 12 -8.230 0.353 -0.210 1.00 0.00 O ATOM 181 CB GLU A 12 -6.714 -2.236 -1.089 1.00 0.00 C ATOM 182 CG GLU A 12 -6.183 -3.008 0.116 1.00 0.00 C ATOM 183 CD GLU A 12 -6.817 -2.577 1.430 1.00 0.00 C ATOM 184 OE1 GLU A 12 -8.052 -2.387 1.466 1.00 0.00 O ATOM 185 OE2 GLU A 12 -6.075 -2.431 2.423 1.00 0.00 O ATOM 0 H GLU A 12 -5.922 -0.088 0.830 1.00 0.00 H new ATOM 0 HA GLU A 12 -5.700 -0.524 -2.023 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -7.802 -2.294 -1.088 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -6.369 -2.728 -1.998 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -6.362 -4.073 -0.035 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -5.103 -2.873 0.179 1.00 0.00 H new ATOM 192 N ARG A 13 -7.984 0.405 -2.471 1.00 0.00 N ATOM 193 CA ARG A 13 -9.223 1.146 -2.767 1.00 0.00 C ATOM 194 C ARG A 13 -10.152 0.274 -3.631 1.00 0.00 C ATOM 195 O ARG A 13 -9.712 -0.283 -4.640 1.00 0.00 O ATOM 196 CB ARG A 13 -8.932 2.482 -3.509 1.00 0.00 C ATOM 197 CG ARG A 13 -9.444 2.511 -4.946 1.00 0.00 C ATOM 198 CD ARG A 13 -9.753 3.921 -5.436 1.00 0.00 C ATOM 199 NE ARG A 13 -8.618 4.838 -5.338 1.00 0.00 N ATOM 200 CZ ARG A 13 -7.444 4.671 -5.955 1.00 0.00 C ATOM 201 NH1 ARG A 13 -7.199 3.591 -6.692 1.00 0.00 N ATOM 202 NH2 ARG A 13 -6.515 5.610 -5.844 1.00 0.00 N ATOM 0 H ARG A 13 -7.449 0.159 -3.304 1.00 0.00 H new ATOM 0 HA ARG A 13 -9.704 1.384 -1.818 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -9.388 3.302 -2.954 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -7.856 2.658 -3.513 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -8.699 2.059 -5.601 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -10.344 1.901 -5.018 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -10.081 3.872 -6.474 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -10.585 4.323 -4.858 1.00 0.00 H new ATOM 0 HE ARG A 13 -8.731 5.667 -4.755 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -7.914 2.871 -6.795 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -6.296 3.483 -7.154 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -6.700 6.448 -5.293 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -5.615 5.495 -6.310 1.00 0.00 H new ATOM 216 N LEU A 14 -11.434 0.173 -3.255 1.00 0.00 N ATOM 217 CA LEU A 14 -12.403 -0.613 -4.025 1.00 0.00 C ATOM 218 C LEU A 14 -13.477 0.313 -4.614 1.00 0.00 C ATOM 219 O LEU A 14 -13.913 1.268 -3.971 1.00 0.00 O ATOM 220 CB LEU A 14 -12.995 -1.759 -3.161 1.00 0.00 C ATOM 221 CG LEU A 14 -14.517 -1.786 -2.947 1.00 0.00 C ATOM 222 CD1 LEU A 14 -14.994 -0.536 -2.226 1.00 0.00 C ATOM 223 CD2 LEU A 14 -15.256 -1.976 -4.266 1.00 0.00 C ATOM 0 H LEU A 14 -11.821 0.624 -2.426 1.00 0.00 H new ATOM 0 HA LEU A 14 -11.899 -1.094 -4.863 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -12.705 -2.706 -3.617 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -12.520 -1.718 -2.181 1.00 0.00 H new ATOM 0 HG LEU A 14 -14.746 -2.642 -2.312 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -16.074 -0.585 -2.089 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -14.508 -0.469 -1.253 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -14.742 0.344 -2.818 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -16.330 -1.991 -4.082 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -15.015 -1.154 -4.940 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -14.952 -2.919 -4.721 1.00 0.00 H new ATOM 235 N SER A 15 -13.853 0.046 -5.864 1.00 0.00 N ATOM 236 CA SER A 15 -14.833 0.871 -6.589 1.00 0.00 C ATOM 237 C SER A 15 -16.283 0.499 -6.279 1.00 0.00 C ATOM 238 O SER A 15 -16.701 -0.644 -6.466 1.00 0.00 O ATOM 239 CB SER A 15 -14.588 0.777 -8.098 1.00 0.00 C ATOM 240 OG SER A 15 -13.518 1.614 -8.496 1.00 0.00 O ATOM 0 H SER A 15 -13.493 -0.741 -6.404 1.00 0.00 H new ATOM 0 HA SER A 15 -14.688 1.895 -6.246 1.00 0.00 H new ATOM 0 HB2 SER A 15 -14.366 -0.255 -8.369 1.00 0.00 H new ATOM 0 HB3 SER A 15 -15.494 1.060 -8.634 1.00 0.00 H new ATOM 0 HG SER A 15 -13.382 1.533 -9.463 1.00 0.00 H new ATOM 246 N ARG A 16 -17.046 1.497 -5.824 1.00 0.00 N ATOM 247 CA ARG A 16 -18.462 1.321 -5.495 1.00 0.00 C ATOM 248 C ARG A 16 -19.353 1.359 -6.742 1.00 0.00 C ATOM 249 O ARG A 16 -20.541 1.043 -6.661 1.00 0.00 O ATOM 250 CB ARG A 16 -18.917 2.394 -4.502 1.00 0.00 C ATOM 251 CG ARG A 16 -19.948 1.903 -3.496 1.00 0.00 C ATOM 252 CD ARG A 16 -21.362 1.985 -4.051 1.00 0.00 C ATOM 253 NE ARG A 16 -22.300 2.564 -3.086 1.00 0.00 N ATOM 254 CZ ARG A 16 -23.595 2.243 -3.011 1.00 0.00 C ATOM 255 NH1 ARG A 16 -24.125 1.355 -3.850 1.00 0.00 N ATOM 256 NH2 ARG A 16 -24.365 2.817 -2.093 1.00 0.00 N ATOM 0 H ARG A 16 -16.701 2.445 -5.674 1.00 0.00 H new ATOM 0 HA ARG A 16 -18.565 0.335 -5.041 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -18.047 2.769 -3.963 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -19.335 3.234 -5.056 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -19.725 0.872 -3.220 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -19.880 2.498 -2.585 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -21.360 2.587 -4.960 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -21.700 0.987 -4.330 1.00 0.00 H new ATOM 0 HE ARG A 16 -21.941 3.257 -2.429 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -23.541 0.912 -4.559 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -25.115 1.118 -3.783 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -23.967 3.500 -1.448 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -25.354 2.574 -2.033 1.00 0.00 H new ATOM 270 N ASP A 17 -18.789 1.738 -7.897 1.00 0.00 N ATOM 271 CA ASP A 17 -19.566 1.796 -9.137 1.00 0.00 C ATOM 272 C ASP A 17 -20.003 0.392 -9.551 1.00 0.00 C ATOM 273 O ASP A 17 -20.985 0.230 -10.276 1.00 0.00 O ATOM 274 CB ASP A 17 -18.747 2.442 -10.262 1.00 0.00 C ATOM 275 CG ASP A 17 -17.889 3.594 -9.776 1.00 0.00 C ATOM 276 OD1 ASP A 17 -18.442 4.687 -9.534 1.00 0.00 O ATOM 277 OD2 ASP A 17 -16.664 3.400 -9.632 1.00 0.00 O ATOM 0 H ASP A 17 -17.810 2.005 -7.996 1.00 0.00 H new ATOM 0 HA ASP A 17 -20.451 2.407 -8.958 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -18.108 1.687 -10.720 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -19.423 2.801 -11.038 1.00 0.00 H new ATOM 282 N ASP A 18 -19.268 -0.615 -9.056 1.00 0.00 N ATOM 283 CA ASP A 18 -19.547 -2.025 -9.325 1.00 0.00 C ATOM 284 C ASP A 18 -20.194 -2.255 -10.692 1.00 0.00 C ATOM 285 O ASP A 18 -21.198 -2.957 -10.819 1.00 0.00 O ATOM 286 CB ASP A 18 -20.401 -2.599 -8.198 1.00 0.00 C ATOM 287 CG ASP A 18 -20.519 -4.111 -8.239 1.00 0.00 C ATOM 288 OD1 ASP A 18 -19.592 -4.788 -7.758 1.00 0.00 O ATOM 289 OD2 ASP A 18 -21.545 -4.618 -8.739 1.00 0.00 O ATOM 0 H ASP A 18 -18.458 -0.468 -8.454 1.00 0.00 H new ATOM 0 HA ASP A 18 -18.594 -2.552 -9.360 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -19.973 -2.302 -7.241 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -21.399 -2.163 -8.250 1.00 0.00 H new ATOM 294 N ASP A 19 -19.571 -1.692 -11.719 1.00 0.00 N ATOM 295 CA ASP A 19 -20.030 -1.866 -13.096 1.00 0.00 C ATOM 296 C ASP A 19 -19.376 -3.118 -13.696 1.00 0.00 C ATOM 297 O ASP A 19 -19.357 -3.305 -14.914 1.00 0.00 O ATOM 298 CB ASP A 19 -19.693 -0.634 -13.944 1.00 0.00 C ATOM 299 CG ASP A 19 -18.292 -0.110 -13.685 1.00 0.00 C ATOM 300 OD1 ASP A 19 -17.324 -0.751 -14.143 1.00 0.00 O ATOM 301 OD2 ASP A 19 -18.165 0.935 -13.017 1.00 0.00 O ATOM 0 H ASP A 19 -18.741 -1.107 -11.626 1.00 0.00 H new ATOM 0 HA ASP A 19 -21.113 -1.987 -13.094 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -19.793 -0.886 -15.000 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -20.416 0.155 -13.735 1.00 0.00 H new ATOM 306 N LEU A 20 -18.821 -3.954 -12.812 1.00 0.00 N ATOM 307 CA LEU A 20 -18.130 -5.175 -13.187 1.00 0.00 C ATOM 308 C LEU A 20 -18.573 -6.339 -12.282 1.00 0.00 C ATOM 309 O LEU A 20 -18.864 -7.433 -12.767 1.00 0.00 O ATOM 310 CB LEU A 20 -16.619 -4.943 -13.067 1.00 0.00 C ATOM 311 CG LEU A 20 -16.156 -4.383 -11.714 1.00 0.00 C ATOM 312 CD1 LEU A 20 -14.656 -4.549 -11.541 1.00 0.00 C ATOM 313 CD2 LEU A 20 -16.559 -2.917 -11.540 1.00 0.00 C ATOM 0 H LEU A 20 -18.844 -3.792 -11.805 1.00 0.00 H new ATOM 0 HA LEU A 20 -18.377 -5.438 -14.216 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -16.106 -5.887 -13.248 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -16.308 -4.256 -13.854 1.00 0.00 H new ATOM 0 HG LEU A 20 -16.659 -4.959 -10.937 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -14.354 -4.144 -10.575 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -14.399 -5.607 -11.587 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -14.137 -4.015 -12.336 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -16.214 -2.557 -10.571 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -16.107 -2.319 -12.331 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -17.644 -2.829 -11.594 1.00 0.00 H new ATOM 325 N THR A 21 -18.640 -6.072 -10.965 1.00 0.00 N ATOM 326 CA THR A 21 -19.066 -7.058 -9.961 1.00 0.00 C ATOM 327 C THR A 21 -18.085 -8.226 -9.822 1.00 0.00 C ATOM 328 O THR A 21 -17.476 -8.666 -10.799 1.00 0.00 O ATOM 329 CB THR A 21 -20.468 -7.587 -10.276 1.00 0.00 C ATOM 330 OG1 THR A 21 -21.220 -6.642 -11.022 1.00 0.00 O ATOM 331 CG2 THR A 21 -21.268 -7.930 -9.039 1.00 0.00 C ATOM 0 H THR A 21 -18.399 -5.164 -10.568 1.00 0.00 H new ATOM 0 HA THR A 21 -19.084 -6.534 -9.005 1.00 0.00 H new ATOM 0 HB THR A 21 -20.302 -8.496 -10.853 1.00 0.00 H new ATOM 0 HG1 THR A 21 -21.428 -5.869 -10.456 1.00 0.00 H new ATOM 0 HG21 THR A 21 -22.251 -8.299 -9.332 1.00 0.00 H new ATOM 0 HG22 THR A 21 -20.746 -8.700 -8.470 1.00 0.00 H new ATOM 0 HG23 THR A 21 -21.384 -7.039 -8.422 1.00 0.00 H new ATOM 339 N GLY A 22 -17.949 -8.724 -8.587 1.00 0.00 N ATOM 340 CA GLY A 22 -17.054 -9.840 -8.311 1.00 0.00 C ATOM 341 C GLY A 22 -16.100 -9.565 -7.155 1.00 0.00 C ATOM 342 O GLY A 22 -16.279 -8.600 -6.410 1.00 0.00 O ATOM 0 H GLY A 22 -18.447 -8.370 -7.771 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -17.646 -10.726 -8.083 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -16.475 -10.065 -9.207 1.00 0.00 H new ATOM 346 N GLU A 23 -15.079 -10.417 -7.017 1.00 0.00 N ATOM 347 CA GLU A 23 -14.070 -10.274 -5.958 1.00 0.00 C ATOM 348 C GLU A 23 -13.344 -8.931 -6.076 1.00 0.00 C ATOM 349 O GLU A 23 -12.874 -8.382 -5.079 1.00 0.00 O ATOM 350 CB GLU A 23 -13.085 -11.453 -6.017 1.00 0.00 C ATOM 351 CG GLU A 23 -11.621 -11.079 -5.842 1.00 0.00 C ATOM 352 CD GLU A 23 -10.699 -11.953 -6.670 1.00 0.00 C ATOM 353 OE1 GLU A 23 -10.728 -11.837 -7.913 1.00 0.00 O ATOM 354 OE2 GLU A 23 -9.951 -12.756 -6.076 1.00 0.00 O ATOM 0 H GLU A 23 -14.928 -11.219 -7.629 1.00 0.00 H new ATOM 0 HA GLU A 23 -14.567 -10.289 -4.988 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -13.356 -12.172 -5.243 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -13.203 -11.958 -6.976 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -11.479 -10.036 -6.124 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -11.350 -11.164 -4.790 1.00 0.00 H new ATOM 361 N SER A 24 -13.276 -8.402 -7.299 1.00 0.00 N ATOM 362 CA SER A 24 -12.630 -7.116 -7.557 1.00 0.00 C ATOM 363 C SER A 24 -13.527 -5.938 -7.145 1.00 0.00 C ATOM 364 O SER A 24 -13.199 -4.785 -7.425 1.00 0.00 O ATOM 365 CB SER A 24 -12.270 -6.998 -9.040 1.00 0.00 C ATOM 366 OG SER A 24 -13.403 -7.225 -9.862 1.00 0.00 O ATOM 0 H SER A 24 -13.663 -8.848 -8.130 1.00 0.00 H new ATOM 0 HA SER A 24 -11.722 -7.075 -6.955 1.00 0.00 H new ATOM 0 HB2 SER A 24 -11.865 -6.006 -9.241 1.00 0.00 H new ATOM 0 HB3 SER A 24 -11.489 -7.718 -9.286 1.00 0.00 H new ATOM 0 HG SER A 24 -13.119 -7.301 -10.797 1.00 0.00 H new ATOM 372 N ASN A 25 -14.669 -6.227 -6.509 1.00 0.00 N ATOM 373 CA ASN A 25 -15.606 -5.184 -6.099 1.00 0.00 C ATOM 374 C ASN A 25 -16.038 -5.355 -4.645 1.00 0.00 C ATOM 375 O ASN A 25 -17.212 -5.599 -4.358 1.00 0.00 O ATOM 376 CB ASN A 25 -16.822 -5.215 -7.021 1.00 0.00 C ATOM 377 CG ASN A 25 -16.428 -5.117 -8.469 1.00 0.00 C ATOM 378 OD1 ASN A 25 -16.438 -4.034 -9.044 1.00 0.00 O ATOM 379 ND2 ASN A 25 -16.068 -6.255 -9.060 1.00 0.00 N ATOM 0 H ASN A 25 -14.963 -7.174 -6.269 1.00 0.00 H new ATOM 0 HA ASN A 25 -15.106 -4.219 -6.176 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -17.379 -6.138 -6.857 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -17.490 -4.391 -6.770 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -15.782 -6.253 -10.039 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -16.078 -7.129 -8.534 1.00 0.00 H new ATOM 386 N SER A 26 -15.081 -5.219 -3.728 1.00 0.00 N ATOM 387 CA SER A 26 -15.356 -5.353 -2.300 1.00 0.00 C ATOM 388 C SER A 26 -14.123 -4.985 -1.486 1.00 0.00 C ATOM 389 O SER A 26 -13.041 -5.531 -1.707 1.00 0.00 O ATOM 390 CB SER A 26 -15.802 -6.781 -1.953 1.00 0.00 C ATOM 391 OG SER A 26 -15.651 -7.663 -3.054 1.00 0.00 O ATOM 0 H SER A 26 -14.107 -5.016 -3.950 1.00 0.00 H new ATOM 0 HA SER A 26 -16.167 -4.669 -2.051 1.00 0.00 H new ATOM 0 HB2 SER A 26 -15.218 -7.149 -1.110 1.00 0.00 H new ATOM 0 HB3 SER A 26 -16.845 -6.769 -1.637 1.00 0.00 H new ATOM 0 HG SER A 26 -16.217 -8.452 -2.921 1.00 0.00 H new ATOM 397 N ILE A 27 -14.292 -4.054 -0.547 1.00 0.00 N ATOM 398 CA ILE A 27 -13.192 -3.607 0.301 1.00 0.00 C ATOM 399 C ILE A 27 -12.485 -4.802 0.947 1.00 0.00 C ATOM 400 O ILE A 27 -11.303 -5.042 0.702 1.00 0.00 O ATOM 401 CB ILE A 27 -13.688 -2.631 1.395 1.00 0.00 C ATOM 402 CG1 ILE A 27 -13.942 -1.238 0.800 1.00 0.00 C ATOM 403 CG2 ILE A 27 -12.701 -2.554 2.552 1.00 0.00 C ATOM 404 CD1 ILE A 27 -12.695 -0.523 0.306 1.00 0.00 C ATOM 0 H ILE A 27 -15.183 -3.595 -0.356 1.00 0.00 H new ATOM 0 HA ILE A 27 -12.481 -3.078 -0.334 1.00 0.00 H new ATOM 0 HB ILE A 27 -14.630 -3.014 1.787 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -14.642 -1.334 -0.030 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -14.425 -0.618 1.555 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -13.076 -1.861 3.305 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -12.583 -3.543 2.996 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -11.736 -2.203 2.185 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -12.970 0.452 -0.097 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -12.000 -0.390 1.135 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -12.220 -1.117 -0.474 1.00 0.00 H new ATOM 416 N THR A 28 -13.225 -5.551 1.760 1.00 0.00 N ATOM 417 CA THR A 28 -12.689 -6.728 2.444 1.00 0.00 C ATOM 418 C THR A 28 -12.088 -7.742 1.461 1.00 0.00 C ATOM 419 O THR A 28 -11.118 -8.430 1.788 1.00 0.00 O ATOM 420 CB THR A 28 -13.795 -7.374 3.279 1.00 0.00 C ATOM 421 OG1 THR A 28 -13.261 -8.005 4.429 1.00 0.00 O ATOM 422 CG2 THR A 28 -14.602 -8.400 2.524 1.00 0.00 C ATOM 0 H THR A 28 -14.207 -5.363 1.963 1.00 0.00 H new ATOM 0 HA THR A 28 -11.878 -6.404 3.097 1.00 0.00 H new ATOM 0 HB THR A 28 -14.456 -6.552 3.553 1.00 0.00 H new ATOM 0 HG1 THR A 28 -13.988 -8.409 4.948 1.00 0.00 H new ATOM 0 HG21 THR A 28 -15.367 -8.815 3.180 1.00 0.00 H new ATOM 0 HG22 THR A 28 -15.078 -7.928 1.664 1.00 0.00 H new ATOM 0 HG23 THR A 28 -13.945 -9.199 2.181 1.00 0.00 H new ATOM 430 N ASN A 29 -12.676 -7.839 0.266 1.00 0.00 N ATOM 431 CA ASN A 29 -12.201 -8.783 -0.751 1.00 0.00 C ATOM 432 C ASN A 29 -10.772 -8.480 -1.204 1.00 0.00 C ATOM 433 O ASN A 29 -9.908 -9.359 -1.130 1.00 0.00 O ATOM 434 CB ASN A 29 -13.142 -8.817 -1.961 1.00 0.00 C ATOM 435 CG ASN A 29 -13.427 -10.231 -2.432 1.00 0.00 C ATOM 436 OD1 ASN A 29 -12.526 -10.942 -2.872 1.00 0.00 O ATOM 437 ND2 ASN A 29 -14.686 -10.647 -2.339 1.00 0.00 N ATOM 0 H ASN A 29 -13.478 -7.278 -0.021 1.00 0.00 H new ATOM 0 HA ASN A 29 -12.197 -9.766 -0.281 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -14.081 -8.327 -1.702 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -12.700 -8.247 -2.778 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -14.935 -11.589 -2.639 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -15.403 -10.024 -1.968 1.00 0.00 H new ATOM 444 N GLN A 30 -10.501 -7.248 -1.665 1.00 0.00 N ATOM 445 CA GLN A 30 -9.136 -6.920 -2.101 1.00 0.00 C ATOM 446 C GLN A 30 -8.182 -7.008 -0.919 1.00 0.00 C ATOM 447 O GLN A 30 -7.013 -7.361 -1.089 1.00 0.00 O ATOM 448 CB GLN A 30 -8.981 -5.538 -2.762 1.00 0.00 C ATOM 449 CG GLN A 30 -10.258 -4.799 -3.115 1.00 0.00 C ATOM 450 CD GLN A 30 -10.289 -3.434 -2.474 1.00 0.00 C ATOM 451 OE1 GLN A 30 -10.087 -2.424 -3.137 1.00 0.00 O ATOM 452 NE2 GLN A 30 -10.528 -3.403 -1.173 1.00 0.00 N ATOM 0 H GLN A 30 -11.179 -6.490 -1.744 1.00 0.00 H new ATOM 0 HA GLN A 30 -8.896 -7.655 -2.869 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -8.397 -4.906 -2.093 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -8.397 -5.662 -3.674 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -10.336 -4.698 -4.197 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -11.120 -5.379 -2.786 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -10.690 -4.272 -0.663 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -10.550 -2.511 -0.680 1.00 0.00 H new ATOM 461 N LYS A 31 -8.686 -6.707 0.285 1.00 0.00 N ATOM 462 CA LYS A 31 -7.866 -6.788 1.483 1.00 0.00 C ATOM 463 C LYS A 31 -7.243 -8.179 1.562 1.00 0.00 C ATOM 464 O LYS A 31 -6.027 -8.325 1.691 1.00 0.00 O ATOM 465 CB LYS A 31 -8.698 -6.523 2.740 1.00 0.00 C ATOM 466 CG LYS A 31 -9.416 -5.190 2.734 1.00 0.00 C ATOM 467 CD LYS A 31 -9.238 -4.465 4.051 1.00 0.00 C ATOM 468 CE LYS A 31 -10.573 -4.044 4.636 1.00 0.00 C ATOM 469 NZ LYS A 31 -10.624 -2.582 4.904 1.00 0.00 N ATOM 0 H LYS A 31 -9.648 -6.409 0.447 1.00 0.00 H new ATOM 0 HA LYS A 31 -7.087 -6.028 1.428 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -9.434 -7.320 2.851 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -8.045 -6.568 3.612 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -9.034 -4.572 1.921 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -10.478 -5.347 2.543 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -8.718 -5.112 4.757 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -8.611 -3.586 3.902 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -11.373 -4.315 3.947 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -10.752 -4.590 5.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -11.552 -2.334 5.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -9.877 -2.327 5.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -10.479 -2.061 4.016 1.00 0.00 H new ATOM 483 N LYS A 32 -8.102 -9.199 1.450 1.00 0.00 N ATOM 484 CA LYS A 32 -7.669 -10.595 1.476 1.00 0.00 C ATOM 485 C LYS A 32 -6.690 -10.889 0.341 1.00 0.00 C ATOM 486 O LYS A 32 -5.729 -11.634 0.527 1.00 0.00 O ATOM 487 CB LYS A 32 -8.873 -11.527 1.385 1.00 0.00 C ATOM 488 CG LYS A 32 -8.914 -12.541 2.511 1.00 0.00 C ATOM 489 CD LYS A 32 -10.178 -12.407 3.344 1.00 0.00 C ATOM 490 CE LYS A 32 -10.060 -11.277 4.357 1.00 0.00 C ATOM 491 NZ LYS A 32 -9.204 -11.653 5.518 1.00 0.00 N ATOM 0 H LYS A 32 -9.109 -9.078 1.340 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.156 -10.770 2.422 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -9.788 -10.935 1.401 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -8.850 -12.052 0.430 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -8.857 -13.547 2.096 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -8.041 -12.410 3.151 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -11.029 -12.222 2.689 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -10.374 -13.345 3.864 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -9.643 -10.396 3.870 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -11.054 -11.004 4.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -9.259 -10.911 6.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -9.536 -12.554 5.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -8.218 -11.757 5.203 1.00 0.00 H new ATOM 505 N TYR A 33 -6.935 -10.291 -0.831 1.00 0.00 N ATOM 506 CA TYR A 33 -6.061 -10.483 -1.992 1.00 0.00 C ATOM 507 C TYR A 33 -4.607 -10.200 -1.615 1.00 0.00 C ATOM 508 O TYR A 33 -3.760 -11.104 -1.611 1.00 0.00 O ATOM 509 CB TYR A 33 -6.476 -9.554 -3.140 1.00 0.00 C ATOM 510 CG TYR A 33 -5.709 -9.806 -4.418 1.00 0.00 C ATOM 511 CD1 TYR A 33 -6.036 -10.864 -5.255 1.00 0.00 C ATOM 512 CD2 TYR A 33 -4.646 -8.990 -4.779 1.00 0.00 C ATOM 513 CE1 TYR A 33 -5.322 -11.100 -6.414 1.00 0.00 C ATOM 514 CE2 TYR A 33 -3.932 -9.216 -5.932 1.00 0.00 C ATOM 515 CZ TYR A 33 -4.270 -10.273 -6.749 1.00 0.00 C ATOM 516 OH TYR A 33 -3.560 -10.504 -7.904 1.00 0.00 O ATOM 0 H TYR A 33 -7.728 -9.673 -0.999 1.00 0.00 H new ATOM 0 HA TYR A 33 -6.156 -11.519 -2.318 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -7.541 -9.679 -3.333 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -6.327 -8.519 -2.833 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -6.860 -11.512 -4.996 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -4.374 -8.161 -4.142 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -5.586 -11.928 -7.055 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -3.110 -8.568 -6.196 1.00 0.00 H new ATOM 0 HH TYR A 33 -4.147 -10.915 -8.572 1.00 0.00 H new ATOM 526 N LEU A 34 -4.335 -8.938 -1.281 1.00 0.00 N ATOM 527 CA LEU A 34 -3.002 -8.514 -0.882 1.00 0.00 C ATOM 528 C LEU A 34 -2.477 -9.411 0.232 1.00 0.00 C ATOM 529 O LEU A 34 -1.308 -9.789 0.230 1.00 0.00 O ATOM 530 CB LEU A 34 -3.037 -7.067 -0.392 1.00 0.00 C ATOM 531 CG LEU A 34 -3.064 -5.976 -1.470 1.00 0.00 C ATOM 532 CD1 LEU A 34 -3.443 -6.535 -2.830 1.00 0.00 C ATOM 533 CD2 LEU A 34 -4.031 -4.886 -1.062 1.00 0.00 C ATOM 0 H LEU A 34 -5.029 -8.190 -1.281 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.341 -8.588 -1.746 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.916 -6.943 0.240 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.164 -6.900 0.239 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.060 -5.562 -1.558 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -3.451 -5.730 -3.565 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.717 -7.291 -3.128 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -4.434 -6.985 -2.775 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -4.050 -4.111 -1.828 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -5.029 -5.309 -0.949 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.711 -4.452 -0.115 1.00 0.00 H new ATOM 545 N GLU A 35 -3.358 -9.753 1.182 1.00 0.00 N ATOM 546 CA GLU A 35 -2.986 -10.614 2.293 1.00 0.00 C ATOM 547 C GLU A 35 -2.425 -11.938 1.778 1.00 0.00 C ATOM 548 O GLU A 35 -1.376 -12.395 2.231 1.00 0.00 O ATOM 549 CB GLU A 35 -4.188 -10.874 3.194 1.00 0.00 C ATOM 550 CG GLU A 35 -3.980 -10.393 4.614 1.00 0.00 C ATOM 551 CD GLU A 35 -3.410 -11.468 5.520 1.00 0.00 C ATOM 552 OE1 GLU A 35 -2.240 -11.856 5.317 1.00 0.00 O ATOM 553 OE2 GLU A 35 -4.131 -11.921 6.433 1.00 0.00 O ATOM 0 H GLU A 35 -4.330 -9.443 1.196 1.00 0.00 H new ATOM 0 HA GLU A 35 -2.215 -10.107 2.874 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.064 -10.379 2.774 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -4.401 -11.943 3.206 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -3.307 -9.535 4.608 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -4.931 -10.049 5.020 1.00 0.00 H new ATOM 560 N ASP A 36 -3.134 -12.534 0.811 1.00 0.00 N ATOM 561 CA ASP A 36 -2.718 -13.797 0.198 1.00 0.00 C ATOM 562 C ASP A 36 -1.317 -13.671 -0.390 1.00 0.00 C ATOM 563 O ASP A 36 -0.530 -14.620 -0.368 1.00 0.00 O ATOM 564 CB ASP A 36 -3.703 -14.208 -0.896 1.00 0.00 C ATOM 565 CG ASP A 36 -3.725 -15.708 -1.117 1.00 0.00 C ATOM 566 OD1 ASP A 36 -4.335 -16.421 -0.293 1.00 0.00 O ATOM 567 OD2 ASP A 36 -3.130 -16.169 -2.113 1.00 0.00 O ATOM 0 H ASP A 36 -4.004 -12.157 0.436 1.00 0.00 H new ATOM 0 HA ASP A 36 -2.707 -14.564 0.972 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -4.703 -13.868 -0.628 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -3.436 -13.710 -1.828 1.00 0.00 H new ATOM 572 N TYR A 37 -1.011 -12.483 -0.898 1.00 0.00 N ATOM 573 CA TYR A 37 0.299 -12.211 -1.471 1.00 0.00 C ATOM 574 C TYR A 37 1.316 -12.025 -0.355 1.00 0.00 C ATOM 575 O TYR A 37 2.293 -12.763 -0.265 1.00 0.00 O ATOM 576 CB TYR A 37 0.243 -10.961 -2.348 1.00 0.00 C ATOM 577 CG TYR A 37 1.601 -10.412 -2.716 1.00 0.00 C ATOM 578 CD1 TYR A 37 2.286 -9.578 -1.846 1.00 0.00 C ATOM 579 CD2 TYR A 37 2.196 -10.732 -3.926 1.00 0.00 C ATOM 580 CE1 TYR A 37 3.529 -9.078 -2.169 1.00 0.00 C ATOM 581 CE2 TYR A 37 3.440 -10.235 -4.261 1.00 0.00 C ATOM 582 CZ TYR A 37 4.104 -9.410 -3.379 1.00 0.00 C ATOM 583 OH TYR A 37 5.344 -8.909 -3.709 1.00 0.00 O ATOM 0 H TYR A 37 -1.655 -11.692 -0.924 1.00 0.00 H new ATOM 0 HA TYR A 37 0.600 -13.055 -2.091 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -0.304 -11.194 -3.262 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -0.322 -10.188 -1.827 1.00 0.00 H new ATOM 0 HD1 TYR A 37 1.838 -9.316 -0.899 1.00 0.00 H new ATOM 0 HD2 TYR A 37 1.679 -11.380 -4.618 1.00 0.00 H new ATOM 0 HE1 TYR A 37 4.050 -8.430 -1.479 1.00 0.00 H new ATOM 0 HE2 TYR A 37 3.890 -10.491 -5.209 1.00 0.00 H new ATOM 0 HH TYR A 37 6.036 -9.397 -3.215 1.00 0.00 H new ATOM 593 N ALA A 38 1.064 -11.026 0.491 1.00 0.00 N ATOM 594 CA ALA A 38 1.934 -10.715 1.623 1.00 0.00 C ATOM 595 C ALA A 38 2.316 -11.974 2.402 1.00 0.00 C ATOM 596 O ALA A 38 3.449 -12.092 2.866 1.00 0.00 O ATOM 597 CB ALA A 38 1.262 -9.704 2.540 1.00 0.00 C ATOM 0 H ALA A 38 0.254 -10.412 0.411 1.00 0.00 H new ATOM 0 HA ALA A 38 2.853 -10.281 1.229 1.00 0.00 H new ATOM 0 HB1 ALA A 38 1.920 -9.481 3.380 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.058 -8.788 1.985 1.00 0.00 H new ATOM 0 HB3 ALA A 38 0.325 -10.118 2.913 1.00 0.00 H new ATOM 603 N ARG A 39 1.381 -12.924 2.528 1.00 0.00 N ATOM 604 CA ARG A 39 1.669 -14.174 3.238 1.00 0.00 C ATOM 605 C ARG A 39 2.550 -15.071 2.376 1.00 0.00 C ATOM 606 O ARG A 39 3.557 -15.598 2.847 1.00 0.00 O ATOM 607 CB ARG A 39 0.388 -14.907 3.640 1.00 0.00 C ATOM 608 CG ARG A 39 -0.474 -15.320 2.470 1.00 0.00 C ATOM 609 CD ARG A 39 -1.932 -15.435 2.888 1.00 0.00 C ATOM 610 NE ARG A 39 -2.622 -16.537 2.216 1.00 0.00 N ATOM 611 CZ ARG A 39 -2.415 -17.829 2.482 1.00 0.00 C ATOM 612 NH1 ARG A 39 -1.504 -18.201 3.379 1.00 0.00 N ATOM 613 NH2 ARG A 39 -3.119 -18.755 1.841 1.00 0.00 N ATOM 0 H ARG A 39 0.435 -12.853 2.154 1.00 0.00 H new ATOM 0 HA ARG A 39 2.201 -13.923 4.156 1.00 0.00 H new ATOM 0 HB2 ARG A 39 0.654 -15.795 4.214 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -0.195 -14.264 4.299 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -0.378 -14.590 1.666 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -0.127 -16.275 2.076 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -1.987 -15.580 3.967 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -2.445 -14.500 2.666 1.00 0.00 H new ATOM 0 HE ARG A 39 -3.306 -16.303 1.497 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -0.955 -17.496 3.871 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -1.355 -19.191 3.574 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -3.815 -18.478 1.148 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -2.964 -19.743 2.041 1.00 0.00 H new ATOM 627 N ARG A 40 2.183 -15.209 1.097 1.00 0.00 N ATOM 628 CA ARG A 40 2.963 -16.009 0.156 1.00 0.00 C ATOM 629 C ARG A 40 4.360 -15.401 -0.030 1.00 0.00 C ATOM 630 O ARG A 40 5.293 -16.080 -0.461 1.00 0.00 O ATOM 631 CB ARG A 40 2.221 -16.114 -1.189 1.00 0.00 C ATOM 632 CG ARG A 40 2.669 -15.115 -2.251 1.00 0.00 C ATOM 633 CD ARG A 40 2.800 -15.774 -3.617 1.00 0.00 C ATOM 634 NE ARG A 40 3.774 -16.867 -3.616 1.00 0.00 N ATOM 635 CZ ARG A 40 3.949 -17.715 -4.634 1.00 0.00 C ATOM 636 NH1 ARG A 40 3.235 -17.588 -5.750 1.00 0.00 N ATOM 637 NH2 ARG A 40 4.843 -18.692 -4.536 1.00 0.00 N ATOM 0 H ARG A 40 1.352 -14.777 0.694 1.00 0.00 H new ATOM 0 HA ARG A 40 3.084 -17.015 0.559 1.00 0.00 H new ATOM 0 HB2 ARG A 40 2.352 -17.122 -1.582 1.00 0.00 H new ATOM 0 HB3 ARG A 40 1.154 -15.978 -1.010 1.00 0.00 H new ATOM 0 HG2 ARG A 40 1.951 -14.297 -2.308 1.00 0.00 H new ATOM 0 HG3 ARG A 40 3.626 -14.680 -1.962 1.00 0.00 H new ATOM 0 HD2 ARG A 40 1.828 -16.157 -3.928 1.00 0.00 H new ATOM 0 HD3 ARG A 40 3.098 -15.026 -4.352 1.00 0.00 H new ATOM 0 HE ARG A 40 4.355 -16.989 -2.787 1.00 0.00 H new ATOM 0 HH11 ARG A 40 2.548 -16.839 -5.833 1.00 0.00 H new ATOM 0 HH12 ARG A 40 3.375 -18.240 -6.522 1.00 0.00 H new ATOM 0 HH21 ARG A 40 5.395 -18.795 -3.684 1.00 0.00 H new ATOM 0 HH22 ARG A 40 4.978 -19.340 -5.312 1.00 0.00 H new ATOM 651 N ASN A 41 4.483 -14.111 0.308 1.00 0.00 N ATOM 652 CA ASN A 41 5.741 -13.379 0.195 1.00 0.00 C ATOM 653 C ASN A 41 6.545 -13.463 1.494 1.00 0.00 C ATOM 654 O ASN A 41 7.774 -13.521 1.468 1.00 0.00 O ATOM 655 CB ASN A 41 5.451 -11.915 -0.164 1.00 0.00 C ATOM 656 CG ASN A 41 5.687 -11.621 -1.631 1.00 0.00 C ATOM 657 OD1 ASN A 41 6.548 -10.817 -1.983 1.00 0.00 O ATOM 658 ND2 ASN A 41 4.916 -12.268 -2.497 1.00 0.00 N ATOM 0 H ASN A 41 3.711 -13.550 0.667 1.00 0.00 H new ATOM 0 HA ASN A 41 6.340 -13.832 -0.595 1.00 0.00 H new ATOM 0 HB2 ASN A 41 4.417 -11.680 0.089 1.00 0.00 H new ATOM 0 HB3 ASN A 41 6.083 -11.264 0.440 1.00 0.00 H new ATOM 0 HD21 ASN A 41 5.026 -12.106 -3.498 1.00 0.00 H new ATOM 0 HD22 ASN A 41 4.214 -12.927 -2.161 1.00 0.00 H new ATOM 665 N GLY A 42 5.837 -13.479 2.624 1.00 0.00 N ATOM 666 CA GLY A 42 6.485 -13.567 3.924 1.00 0.00 C ATOM 667 C GLY A 42 6.537 -12.235 4.656 1.00 0.00 C ATOM 668 O GLY A 42 7.575 -11.866 5.203 1.00 0.00 O ATOM 0 H GLY A 42 4.819 -13.432 2.661 1.00 0.00 H new ATOM 0 HA2 GLY A 42 5.954 -14.293 4.540 1.00 0.00 H new ATOM 0 HA3 GLY A 42 7.500 -13.943 3.793 1.00 0.00 H new ATOM 672 N PHE A 43 5.417 -11.508 4.658 1.00 0.00 N ATOM 673 CA PHE A 43 5.338 -10.208 5.318 1.00 0.00 C ATOM 674 C PHE A 43 4.479 -10.275 6.579 1.00 0.00 C ATOM 675 O PHE A 43 3.367 -10.805 6.558 1.00 0.00 O ATOM 676 CB PHE A 43 4.770 -9.176 4.346 1.00 0.00 C ATOM 677 CG PHE A 43 5.593 -9.028 3.102 1.00 0.00 C ATOM 678 CD1 PHE A 43 6.973 -8.957 3.172 1.00 0.00 C ATOM 679 CD2 PHE A 43 4.986 -8.971 1.866 1.00 0.00 C ATOM 680 CE1 PHE A 43 7.732 -8.831 2.027 1.00 0.00 C ATOM 681 CE2 PHE A 43 5.736 -8.844 0.716 1.00 0.00 C ATOM 682 CZ PHE A 43 7.112 -8.775 0.796 1.00 0.00 C ATOM 0 H PHE A 43 4.550 -11.802 4.207 1.00 0.00 H new ATOM 0 HA PHE A 43 6.343 -9.913 5.618 1.00 0.00 H new ATOM 0 HB2 PHE A 43 3.755 -9.464 4.071 1.00 0.00 H new ATOM 0 HB3 PHE A 43 4.703 -8.211 4.848 1.00 0.00 H new ATOM 0 HD1 PHE A 43 7.462 -9.001 4.134 1.00 0.00 H new ATOM 0 HD2 PHE A 43 3.910 -9.026 1.797 1.00 0.00 H new ATOM 0 HE1 PHE A 43 8.809 -8.776 2.094 1.00 0.00 H new ATOM 0 HE2 PHE A 43 5.247 -8.799 -0.246 1.00 0.00 H new ATOM 0 HZ PHE A 43 7.702 -8.677 -0.103 1.00 0.00 H new ATOM 692 N GLU A 44 5.016 -9.749 7.681 1.00 0.00 N ATOM 693 CA GLU A 44 4.329 -9.753 8.961 1.00 0.00 C ATOM 694 C GLU A 44 3.658 -8.433 9.265 1.00 0.00 C ATOM 695 O GLU A 44 3.905 -7.423 8.609 1.00 0.00 O ATOM 696 CB GLU A 44 5.322 -10.037 10.070 1.00 0.00 C ATOM 697 CG GLU A 44 5.631 -11.498 10.254 1.00 0.00 C ATOM 698 CD GLU A 44 5.741 -12.268 8.950 1.00 0.00 C ATOM 699 OE1 GLU A 44 6.846 -12.304 8.372 1.00 0.00 O ATOM 700 OE2 GLU A 44 4.721 -12.838 8.509 1.00 0.00 O ATOM 0 H GLU A 44 5.937 -9.311 7.705 1.00 0.00 H new ATOM 0 HA GLU A 44 3.562 -10.525 8.903 1.00 0.00 H new ATOM 0 HB2 GLU A 44 6.249 -9.504 9.859 1.00 0.00 H new ATOM 0 HB3 GLU A 44 4.930 -9.638 11.006 1.00 0.00 H new ATOM 0 HG2 GLU A 44 6.567 -11.596 10.803 1.00 0.00 H new ATOM 0 HG3 GLU A 44 4.852 -11.950 10.868 1.00 0.00 H new ATOM 707 N ASN A 45 2.829 -8.457 10.303 1.00 0.00 N ATOM 708 CA ASN A 45 2.125 -7.272 10.757 1.00 0.00 C ATOM 709 C ASN A 45 1.354 -6.600 9.619 1.00 0.00 C ATOM 710 O ASN A 45 1.150 -5.385 9.636 1.00 0.00 O ATOM 711 CB ASN A 45 3.129 -6.289 11.346 1.00 0.00 C ATOM 712 CG ASN A 45 3.942 -6.880 12.483 1.00 0.00 C ATOM 713 OD1 ASN A 45 3.435 -7.091 13.584 1.00 0.00 O ATOM 714 ND2 ASN A 45 5.215 -7.151 12.213 1.00 0.00 N ATOM 0 H ASN A 45 2.629 -9.296 10.848 1.00 0.00 H new ATOM 0 HA ASN A 45 1.402 -7.575 11.514 1.00 0.00 H new ATOM 0 HB2 ASN A 45 3.805 -5.954 10.559 1.00 0.00 H new ATOM 0 HB3 ASN A 45 2.598 -5.408 11.706 1.00 0.00 H new ATOM 0 HD21 ASN A 45 5.815 -7.551 12.934 1.00 0.00 H new ATOM 0 HD22 ASN A 45 5.592 -6.959 11.285 1.00 0.00 H new ATOM 721 N ILE A 46 0.940 -7.398 8.630 1.00 0.00 N ATOM 722 CA ILE A 46 0.202 -6.903 7.482 1.00 0.00 C ATOM 723 C ILE A 46 -0.985 -6.061 7.918 1.00 0.00 C ATOM 724 O ILE A 46 -2.057 -6.577 8.241 1.00 0.00 O ATOM 725 CB ILE A 46 -0.273 -8.065 6.593 1.00 0.00 C ATOM 726 CG1 ILE A 46 0.935 -8.828 6.053 1.00 0.00 C ATOM 727 CG2 ILE A 46 -1.137 -7.553 5.451 1.00 0.00 C ATOM 728 CD1 ILE A 46 0.610 -10.238 5.622 1.00 0.00 C ATOM 0 H ILE A 46 1.111 -8.403 8.610 1.00 0.00 H new ATOM 0 HA ILE A 46 0.877 -6.274 6.902 1.00 0.00 H new ATOM 0 HB ILE A 46 -0.880 -8.742 7.194 1.00 0.00 H new ATOM 0 HG12 ILE A 46 1.350 -8.283 5.205 1.00 0.00 H new ATOM 0 HG13 ILE A 46 1.708 -8.860 6.821 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -1.461 -8.392 4.836 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -2.010 -7.041 5.856 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.560 -6.858 4.841 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.513 -10.722 5.249 1.00 0.00 H new ATOM 0 HD12 ILE A 46 0.223 -10.798 6.473 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -0.141 -10.213 4.832 1.00 0.00 H new ATOM 740 N ARG A 47 -0.764 -4.759 7.922 1.00 0.00 N ATOM 741 CA ARG A 47 -1.787 -3.801 8.313 1.00 0.00 C ATOM 742 C ARG A 47 -2.630 -3.415 7.116 1.00 0.00 C ATOM 743 O ARG A 47 -2.105 -3.149 6.037 1.00 0.00 O ATOM 744 CB ARG A 47 -1.156 -2.566 8.941 1.00 0.00 C ATOM 745 CG ARG A 47 -2.028 -1.943 10.010 1.00 0.00 C ATOM 746 CD ARG A 47 -2.621 -0.638 9.531 1.00 0.00 C ATOM 747 NE ARG A 47 -4.074 -0.595 9.705 1.00 0.00 N ATOM 748 CZ ARG A 47 -4.769 0.516 9.963 1.00 0.00 C ATOM 749 NH1 ARG A 47 -4.153 1.685 10.105 1.00 0.00 N ATOM 750 NH2 ARG A 47 -6.091 0.455 10.084 1.00 0.00 N ATOM 0 H ARG A 47 0.125 -4.335 7.656 1.00 0.00 H new ATOM 0 HA ARG A 47 -2.432 -4.270 9.057 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -0.193 -2.836 9.375 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -0.959 -1.828 8.163 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -2.828 -2.633 10.280 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -1.439 -1.770 10.910 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -2.167 0.188 10.078 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -2.378 -0.495 8.478 1.00 0.00 H new ATOM 0 HE ARG A 47 -4.590 -1.471 9.624 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -3.138 1.741 10.017 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -4.695 2.526 10.302 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -6.572 -0.438 9.980 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -6.625 1.302 10.281 1.00 0.00 H new ATOM 764 N HIS A 48 -3.944 -3.412 7.304 1.00 0.00 N ATOM 765 CA HIS A 48 -4.854 -3.090 6.220 1.00 0.00 C ATOM 766 C HIS A 48 -5.339 -1.645 6.287 1.00 0.00 C ATOM 767 O HIS A 48 -6.023 -1.248 7.233 1.00 0.00 O ATOM 768 CB HIS A 48 -6.037 -4.060 6.212 1.00 0.00 C ATOM 769 CG HIS A 48 -5.646 -5.446 5.818 1.00 0.00 C ATOM 770 ND1 HIS A 48 -5.997 -6.016 4.616 1.00 0.00 N ATOM 771 CD2 HIS A 48 -4.917 -6.370 6.474 1.00 0.00 C ATOM 772 CE1 HIS A 48 -5.500 -7.238 4.550 1.00 0.00 C ATOM 773 NE2 HIS A 48 -4.838 -7.476 5.667 1.00 0.00 N ATOM 0 H HIS A 48 -4.398 -3.628 8.192 1.00 0.00 H new ATOM 0 HA HIS A 48 -4.302 -3.198 5.286 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -6.489 -4.083 7.204 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -6.798 -3.692 5.523 1.00 0.00 H new ATOM 0 HD1 HIS A 48 -6.554 -5.566 3.890 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -4.476 -6.260 7.454 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -5.615 -7.924 3.724 1.00 0.00 H new ATOM 782 N PHE A 49 -4.992 -0.876 5.256 1.00 0.00 N ATOM 783 CA PHE A 49 -5.393 0.520 5.149 1.00 0.00 C ATOM 784 C PHE A 49 -6.500 0.638 4.113 1.00 0.00 C ATOM 785 O PHE A 49 -6.268 0.564 2.901 1.00 0.00 O ATOM 786 CB PHE A 49 -4.192 1.409 4.800 1.00 0.00 C ATOM 787 CG PHE A 49 -3.029 1.223 5.735 1.00 0.00 C ATOM 788 CD1 PHE A 49 -2.943 1.964 6.900 1.00 0.00 C ATOM 789 CD2 PHE A 49 -2.028 0.303 5.457 1.00 0.00 C ATOM 790 CE1 PHE A 49 -1.885 1.799 7.768 1.00 0.00 C ATOM 791 CE2 PHE A 49 -0.967 0.134 6.327 1.00 0.00 C ATOM 792 CZ PHE A 49 -0.896 0.883 7.480 1.00 0.00 C ATOM 0 H PHE A 49 -4.426 -1.205 4.474 1.00 0.00 H new ATOM 0 HA PHE A 49 -5.773 0.867 6.110 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -3.870 1.191 3.782 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -4.503 2.454 4.820 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -3.716 2.682 7.133 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -2.078 -0.286 4.553 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -1.831 2.387 8.673 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -0.194 -0.586 6.102 1.00 0.00 H new ATOM 0 HZ PHE A 49 -0.066 0.753 8.158 1.00 0.00 H new ATOM 802 N THR A 50 -7.712 0.754 4.632 1.00 0.00 N ATOM 803 CA THR A 50 -8.923 0.815 3.828 1.00 0.00 C ATOM 804 C THR A 50 -9.142 2.158 3.163 1.00 0.00 C ATOM 805 O THR A 50 -8.687 3.200 3.640 1.00 0.00 O ATOM 806 CB THR A 50 -10.115 0.466 4.715 1.00 0.00 C ATOM 807 OG1 THR A 50 -11.257 0.137 3.940 1.00 0.00 O ATOM 808 CG2 THR A 50 -10.503 1.581 5.665 1.00 0.00 C ATOM 0 H THR A 50 -7.885 0.809 5.636 1.00 0.00 H new ATOM 0 HA THR A 50 -8.814 0.095 3.017 1.00 0.00 H new ATOM 0 HB THR A 50 -9.787 -0.392 5.301 1.00 0.00 H new ATOM 0 HG1 THR A 50 -12.004 -0.084 4.535 1.00 0.00 H new ATOM 0 HG21 THR A 50 -11.357 1.267 6.266 1.00 0.00 H new ATOM 0 HG22 THR A 50 -9.663 1.809 6.320 1.00 0.00 H new ATOM 0 HG23 THR A 50 -10.769 2.470 5.093 1.00 0.00 H new ATOM 816 N ASP A 51 -9.860 2.100 2.046 1.00 0.00 N ATOM 817 CA ASP A 51 -10.184 3.278 1.266 1.00 0.00 C ATOM 818 C ASP A 51 -11.690 3.396 1.105 1.00 0.00 C ATOM 819 O ASP A 51 -12.394 2.390 1.007 1.00 0.00 O ATOM 820 CB ASP A 51 -9.518 3.210 -0.116 1.00 0.00 C ATOM 821 CG ASP A 51 -8.008 2.971 -0.077 1.00 0.00 C ATOM 822 OD1 ASP A 51 -7.444 2.770 1.019 1.00 0.00 O ATOM 823 OD2 ASP A 51 -7.383 2.998 -1.154 1.00 0.00 O ATOM 0 H ASP A 51 -10.232 1.232 1.660 1.00 0.00 H new ATOM 0 HA ASP A 51 -9.808 4.155 1.793 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -9.985 2.412 -0.692 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -9.713 4.142 -0.646 1.00 0.00 H new ATOM 828 N ASP A 52 -12.182 4.628 1.081 1.00 0.00 N ATOM 829 CA ASP A 52 -13.607 4.871 0.935 1.00 0.00 C ATOM 830 C ASP A 52 -13.854 6.297 0.468 1.00 0.00 C ATOM 831 O ASP A 52 -13.641 7.249 1.219 1.00 0.00 O ATOM 832 CB ASP A 52 -14.321 4.607 2.260 1.00 0.00 C ATOM 833 CG ASP A 52 -15.826 4.750 2.152 1.00 0.00 C ATOM 834 OD1 ASP A 52 -16.495 3.750 1.813 1.00 0.00 O ATOM 835 OD2 ASP A 52 -16.337 5.859 2.404 1.00 0.00 O ATOM 0 H ASP A 52 -11.614 5.472 1.161 1.00 0.00 H new ATOM 0 HA ASP A 52 -14.007 4.191 0.183 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -14.079 3.601 2.604 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -13.947 5.300 3.014 1.00 0.00 H new ATOM 840 N GLY A 53 -14.286 6.435 -0.782 1.00 0.00 N ATOM 841 CA GLY A 53 -14.536 7.755 -1.340 1.00 0.00 C ATOM 842 C GLY A 53 -13.302 8.634 -1.267 1.00 0.00 C ATOM 843 O GLY A 53 -13.281 9.624 -0.538 1.00 0.00 O ATOM 0 H GLY A 53 -14.468 5.659 -1.419 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -14.853 7.658 -2.378 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -15.355 8.230 -0.800 1.00 0.00 H new ATOM 847 N PHE A 54 -12.269 8.256 -2.017 1.00 0.00 N ATOM 848 CA PHE A 54 -11.014 8.992 -2.035 1.00 0.00 C ATOM 849 C PHE A 54 -10.999 10.027 -3.159 1.00 0.00 C ATOM 850 O PHE A 54 -11.476 9.765 -4.264 1.00 0.00 O ATOM 851 CB PHE A 54 -9.837 8.021 -2.220 1.00 0.00 C ATOM 852 CG PHE A 54 -9.368 7.338 -0.959 1.00 0.00 C ATOM 853 CD1 PHE A 54 -9.877 7.688 0.285 1.00 0.00 C ATOM 854 CD2 PHE A 54 -8.401 6.345 -1.019 1.00 0.00 C ATOM 855 CE1 PHE A 54 -9.441 7.055 1.431 1.00 0.00 C ATOM 856 CE2 PHE A 54 -7.962 5.720 0.128 1.00 0.00 C ATOM 857 CZ PHE A 54 -8.484 6.067 1.352 1.00 0.00 C ATOM 0 H PHE A 54 -12.281 7.436 -2.624 1.00 0.00 H new ATOM 0 HA PHE A 54 -10.916 9.512 -1.082 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -10.126 7.258 -2.943 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -8.999 8.568 -2.652 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -10.623 8.465 0.356 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -7.988 6.059 -1.975 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -9.850 7.334 2.391 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -7.204 4.953 0.065 1.00 0.00 H new ATOM 0 HZ PHE A 54 -8.145 5.567 2.247 1.00 0.00 H new ATOM 867 N SER A 55 -10.426 11.192 -2.867 1.00 0.00 N ATOM 868 CA SER A 55 -10.311 12.276 -3.849 1.00 0.00 C ATOM 869 C SER A 55 -9.430 11.836 -5.023 1.00 0.00 C ATOM 870 O SER A 55 -8.803 10.777 -4.970 1.00 0.00 O ATOM 871 CB SER A 55 -9.737 13.535 -3.194 1.00 0.00 C ATOM 872 OG SER A 55 -10.695 14.580 -3.167 1.00 0.00 O ATOM 0 H SER A 55 -10.031 11.414 -1.953 1.00 0.00 H new ATOM 0 HA SER A 55 -11.307 12.509 -4.227 1.00 0.00 H new ATOM 0 HB2 SER A 55 -9.416 13.306 -2.178 1.00 0.00 H new ATOM 0 HB3 SER A 55 -8.853 13.862 -3.741 1.00 0.00 H new ATOM 0 HG SER A 55 -10.304 15.372 -2.742 1.00 0.00 H new ATOM 878 N GLY A 56 -9.400 12.634 -6.092 1.00 0.00 N ATOM 879 CA GLY A 56 -8.611 12.272 -7.260 1.00 0.00 C ATOM 880 C GLY A 56 -7.440 13.200 -7.535 1.00 0.00 C ATOM 881 O GLY A 56 -7.102 13.428 -8.697 1.00 0.00 O ATOM 0 H GLY A 56 -9.904 13.517 -6.169 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -8.233 11.258 -7.129 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.262 12.259 -8.134 1.00 0.00 H new ATOM 885 N VAL A 57 -6.809 13.733 -6.485 1.00 0.00 N ATOM 886 CA VAL A 57 -5.669 14.629 -6.677 1.00 0.00 C ATOM 887 C VAL A 57 -4.323 13.908 -6.506 1.00 0.00 C ATOM 888 O VAL A 57 -3.447 14.060 -7.355 1.00 0.00 O ATOM 889 CB VAL A 57 -5.733 15.848 -5.726 1.00 0.00 C ATOM 890 CG1 VAL A 57 -5.677 15.422 -4.267 1.00 0.00 C ATOM 891 CG2 VAL A 57 -4.622 16.833 -6.046 1.00 0.00 C ATOM 0 H VAL A 57 -7.063 13.563 -5.512 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.735 14.982 -7.706 1.00 0.00 H new ATOM 0 HB VAL A 57 -6.691 16.344 -5.884 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -5.724 16.304 -3.628 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -6.521 14.768 -4.046 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -4.746 14.888 -4.079 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -4.683 17.684 -5.367 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -3.656 16.343 -5.927 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -4.729 17.181 -7.074 1.00 0.00 H new ATOM 901 N ASN A 58 -4.172 13.119 -5.421 1.00 0.00 N ATOM 902 CA ASN A 58 -2.926 12.368 -5.135 1.00 0.00 C ATOM 903 C ASN A 58 -2.759 12.115 -3.632 1.00 0.00 C ATOM 904 O ASN A 58 -2.766 13.053 -2.834 1.00 0.00 O ATOM 905 CB ASN A 58 -1.677 13.108 -5.651 1.00 0.00 C ATOM 906 CG ASN A 58 -1.523 14.495 -5.048 1.00 0.00 C ATOM 907 OD1 ASN A 58 -1.010 14.649 -3.941 1.00 0.00 O ATOM 908 ND2 ASN A 58 -1.953 15.514 -5.780 1.00 0.00 N ATOM 0 H ASN A 58 -4.903 12.984 -4.722 1.00 0.00 H new ATOM 0 HA ASN A 58 -3.018 11.417 -5.659 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -0.790 12.517 -5.423 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -1.733 13.193 -6.736 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -1.864 16.468 -5.429 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -2.373 15.344 -6.694 1.00 0.00 H new ATOM 915 N PHE A 59 -2.580 10.838 -3.267 1.00 0.00 N ATOM 916 CA PHE A 59 -2.375 10.421 -1.868 1.00 0.00 C ATOM 917 C PHE A 59 -3.267 11.200 -0.884 1.00 0.00 C ATOM 918 O PHE A 59 -4.293 11.760 -1.273 1.00 0.00 O ATOM 919 CB PHE A 59 -0.892 10.565 -1.474 1.00 0.00 C ATOM 920 CG PHE A 59 0.089 10.286 -2.591 1.00 0.00 C ATOM 921 CD1 PHE A 59 0.227 11.171 -3.648 1.00 0.00 C ATOM 922 CD2 PHE A 59 0.877 9.143 -2.581 1.00 0.00 C ATOM 923 CE1 PHE A 59 1.122 10.923 -4.669 1.00 0.00 C ATOM 924 CE2 PHE A 59 1.775 8.893 -3.601 1.00 0.00 C ATOM 925 CZ PHE A 59 1.897 9.784 -4.646 1.00 0.00 C ATOM 0 H PHE A 59 -2.573 10.064 -3.931 1.00 0.00 H new ATOM 0 HA PHE A 59 -2.665 9.372 -1.803 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -0.725 11.577 -1.106 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -0.682 9.887 -0.647 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -0.374 12.068 -3.673 1.00 0.00 H new ATOM 0 HD2 PHE A 59 0.787 8.440 -1.766 1.00 0.00 H new ATOM 0 HE1 PHE A 59 1.215 11.622 -5.487 1.00 0.00 H new ATOM 0 HE2 PHE A 59 2.381 8.000 -3.580 1.00 0.00 H new ATOM 0 HZ PHE A 59 2.598 9.590 -5.444 1.00 0.00 H new ATOM 935 N ASN A 60 -2.869 11.219 0.397 1.00 0.00 N ATOM 936 CA ASN A 60 -3.619 11.921 1.447 1.00 0.00 C ATOM 937 C ASN A 60 -5.046 11.389 1.559 1.00 0.00 C ATOM 938 O ASN A 60 -5.962 11.854 0.881 1.00 0.00 O ATOM 939 CB ASN A 60 -3.605 13.431 1.194 1.00 0.00 C ATOM 940 CG ASN A 60 -2.204 13.948 0.906 1.00 0.00 C ATOM 941 OD1 ASN A 60 -2.020 14.848 0.087 1.00 0.00 O ATOM 942 ND2 ASN A 60 -1.206 13.375 1.581 1.00 0.00 N ATOM 0 H ASN A 60 -2.026 10.752 0.731 1.00 0.00 H new ATOM 0 HA ASN A 60 -3.128 11.732 2.402 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -4.257 13.663 0.352 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -4.010 13.948 2.064 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -0.245 13.680 1.427 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -1.404 12.632 2.251 1.00 0.00 H new ATOM 949 N ARG A 61 -5.202 10.393 2.424 1.00 0.00 N ATOM 950 CA ARG A 61 -6.487 9.738 2.663 1.00 0.00 C ATOM 951 C ARG A 61 -6.578 9.306 4.124 1.00 0.00 C ATOM 952 O ARG A 61 -5.566 9.224 4.805 1.00 0.00 O ATOM 953 CB ARG A 61 -6.631 8.505 1.757 1.00 0.00 C ATOM 954 CG ARG A 61 -5.527 8.345 0.715 1.00 0.00 C ATOM 955 CD ARG A 61 -5.882 9.019 -0.591 1.00 0.00 C ATOM 956 NE ARG A 61 -5.700 8.128 -1.734 1.00 0.00 N ATOM 957 CZ ARG A 61 -5.403 8.544 -2.964 1.00 0.00 C ATOM 958 NH1 ARG A 61 -5.279 9.841 -3.231 1.00 0.00 N ATOM 959 NH2 ARG A 61 -5.229 7.658 -3.933 1.00 0.00 N ATOM 0 H ARG A 61 -4.438 10.014 2.983 1.00 0.00 H new ATOM 0 HA ARG A 61 -7.288 10.442 2.437 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -6.653 7.613 2.382 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -7.591 8.559 1.244 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -4.599 8.768 1.101 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -5.345 7.285 0.539 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -6.918 9.356 -0.555 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -5.263 9.907 -0.721 1.00 0.00 H new ATOM 0 HE ARG A 61 -5.807 7.125 -1.581 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -5.412 10.529 -2.490 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -5.051 10.147 -4.177 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -5.323 6.662 -3.736 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -5.001 7.972 -4.876 1.00 0.00 H new ATOM 973 N PRO A 62 -7.785 9.010 4.625 1.00 0.00 N ATOM 974 CA PRO A 62 -7.978 8.562 6.012 1.00 0.00 C ATOM 975 C PRO A 62 -7.121 7.325 6.320 1.00 0.00 C ATOM 976 O PRO A 62 -6.109 7.415 7.030 1.00 0.00 O ATOM 977 CB PRO A 62 -9.477 8.227 6.079 1.00 0.00 C ATOM 978 CG PRO A 62 -9.925 8.138 4.657 1.00 0.00 C ATOM 979 CD PRO A 62 -9.044 9.073 3.886 1.00 0.00 C ATOM 0 HA PRO A 62 -7.679 9.313 6.743 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -9.647 7.287 6.604 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -10.029 8.998 6.618 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -9.834 7.118 4.283 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -10.973 8.421 4.560 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -8.922 8.754 2.851 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -9.449 10.084 3.862 1.00 0.00 H new ATOM 987 N GLY A 63 -7.508 6.176 5.752 1.00 0.00 N ATOM 988 CA GLY A 63 -6.748 4.952 5.949 1.00 0.00 C ATOM 989 C GLY A 63 -5.317 5.100 5.462 1.00 0.00 C ATOM 990 O GLY A 63 -4.393 4.539 6.049 1.00 0.00 O ATOM 0 H GLY A 63 -8.333 6.076 5.161 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -6.748 4.689 7.007 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -7.232 4.133 5.417 1.00 0.00 H new ATOM 994 N PHE A 64 -5.143 5.879 4.392 1.00 0.00 N ATOM 995 CA PHE A 64 -3.830 6.140 3.816 1.00 0.00 C ATOM 996 C PHE A 64 -2.965 6.919 4.799 1.00 0.00 C ATOM 997 O PHE A 64 -1.787 6.616 4.975 1.00 0.00 O ATOM 998 CB PHE A 64 -4.004 6.929 2.527 1.00 0.00 C ATOM 999 CG PHE A 64 -2.732 7.225 1.798 1.00 0.00 C ATOM 1000 CD1 PHE A 64 -1.796 8.087 2.335 1.00 0.00 C ATOM 1001 CD2 PHE A 64 -2.481 6.648 0.572 1.00 0.00 C ATOM 1002 CE1 PHE A 64 -0.628 8.366 1.664 1.00 0.00 C ATOM 1003 CE2 PHE A 64 -1.317 6.922 -0.107 1.00 0.00 C ATOM 1004 CZ PHE A 64 -0.386 7.783 0.439 1.00 0.00 C ATOM 0 H PHE A 64 -5.909 6.344 3.904 1.00 0.00 H new ATOM 0 HA PHE A 64 -3.332 5.194 3.601 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -4.666 6.373 1.863 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -4.502 7.871 2.758 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -1.983 8.548 3.294 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -3.206 5.974 0.140 1.00 0.00 H new ATOM 0 HE1 PHE A 64 0.097 9.040 2.096 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -1.131 6.464 -1.067 1.00 0.00 H new ATOM 0 HZ PHE A 64 0.529 7.999 -0.092 1.00 0.00 H new ATOM 1014 N GLN A 65 -3.568 7.912 5.456 1.00 0.00 N ATOM 1015 CA GLN A 65 -2.862 8.711 6.448 1.00 0.00 C ATOM 1016 C GLN A 65 -2.370 7.795 7.557 1.00 0.00 C ATOM 1017 O GLN A 65 -1.323 8.039 8.154 1.00 0.00 O ATOM 1018 CB GLN A 65 -3.761 9.817 7.003 1.00 0.00 C ATOM 1019 CG GLN A 65 -3.760 11.081 6.152 1.00 0.00 C ATOM 1020 CD GLN A 65 -3.506 12.341 6.963 1.00 0.00 C ATOM 1021 OE1 GLN A 65 -4.221 13.331 6.825 1.00 0.00 O ATOM 1022 NE2 GLN A 65 -2.483 12.313 7.814 1.00 0.00 N ATOM 0 H GLN A 65 -4.543 8.178 5.316 1.00 0.00 H new ATOM 0 HA GLN A 65 -2.008 9.199 5.979 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -4.781 9.441 7.081 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -3.436 10.067 8.013 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -2.996 10.992 5.380 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -4.719 11.170 5.642 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -1.913 11.471 7.899 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -2.269 13.133 8.381 1.00 0.00 H new ATOM 1031 N SER A 66 -3.104 6.698 7.779 1.00 0.00 N ATOM 1032 CA SER A 66 -2.703 5.702 8.758 1.00 0.00 C ATOM 1033 C SER A 66 -1.478 4.983 8.204 1.00 0.00 C ATOM 1034 O SER A 66 -0.486 4.790 8.905 1.00 0.00 O ATOM 1035 CB SER A 66 -3.839 4.713 9.025 1.00 0.00 C ATOM 1036 OG SER A 66 -4.130 4.630 10.408 1.00 0.00 O ATOM 0 H SER A 66 -3.974 6.485 7.292 1.00 0.00 H new ATOM 0 HA SER A 66 -2.466 6.179 9.709 1.00 0.00 H new ATOM 0 HB2 SER A 66 -4.731 5.024 8.481 1.00 0.00 H new ATOM 0 HB3 SER A 66 -3.563 3.728 8.649 1.00 0.00 H new ATOM 0 HG SER A 66 -5.100 4.577 10.536 1.00 0.00 H new ATOM 1042 N LEU A 67 -1.546 4.644 6.907 1.00 0.00 N ATOM 1043 CA LEU A 67 -0.442 4.010 6.203 1.00 0.00 C ATOM 1044 C LEU A 67 0.816 4.867 6.382 1.00 0.00 C ATOM 1045 O LEU A 67 1.884 4.365 6.748 1.00 0.00 O ATOM 1046 CB LEU A 67 -0.823 3.847 4.714 1.00 0.00 C ATOM 1047 CG LEU A 67 0.227 4.281 3.695 1.00 0.00 C ATOM 1048 CD1 LEU A 67 1.390 3.312 3.722 1.00 0.00 C ATOM 1049 CD2 LEU A 67 -0.386 4.342 2.307 1.00 0.00 C ATOM 0 H LEU A 67 -2.369 4.805 6.326 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.236 3.019 6.607 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.061 2.798 4.535 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.734 4.416 4.530 1.00 0.00 H new ATOM 0 HG LEU A 67 0.591 5.276 3.952 1.00 0.00 H new ATOM 0 HD11 LEU A 67 2.139 3.623 2.994 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.833 3.303 4.718 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.036 2.312 3.474 1.00 0.00 H new ATOM 0 HD21 LEU A 67 0.372 4.653 1.588 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.764 3.357 2.033 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.206 5.060 2.303 1.00 0.00 H new ATOM 1061 N ILE A 68 0.657 6.176 6.163 1.00 0.00 N ATOM 1062 CA ILE A 68 1.743 7.132 6.328 1.00 0.00 C ATOM 1063 C ILE A 68 2.160 7.221 7.799 1.00 0.00 C ATOM 1064 O ILE A 68 3.345 7.317 8.100 1.00 0.00 O ATOM 1065 CB ILE A 68 1.329 8.530 5.810 1.00 0.00 C ATOM 1066 CG1 ILE A 68 1.240 8.535 4.277 1.00 0.00 C ATOM 1067 CG2 ILE A 68 2.293 9.603 6.294 1.00 0.00 C ATOM 1068 CD1 ILE A 68 2.558 8.267 3.570 1.00 0.00 C ATOM 0 H ILE A 68 -0.225 6.595 5.868 1.00 0.00 H new ATOM 0 HA ILE A 68 2.592 6.782 5.741 1.00 0.00 H new ATOM 0 HB ILE A 68 0.343 8.758 6.214 1.00 0.00 H new ATOM 0 HG12 ILE A 68 0.515 7.783 3.965 1.00 0.00 H new ATOM 0 HG13 ILE A 68 0.857 9.502 3.951 1.00 0.00 H new ATOM 0 HG21 ILE A 68 1.977 10.574 5.914 1.00 0.00 H new ATOM 0 HG22 ILE A 68 2.297 9.623 7.384 1.00 0.00 H new ATOM 0 HG23 ILE A 68 3.297 9.381 5.931 1.00 0.00 H new ATOM 0 HD11 ILE A 68 2.403 8.289 2.491 1.00 0.00 H new ATOM 0 HD12 ILE A 68 3.282 9.032 3.848 1.00 0.00 H new ATOM 0 HD13 ILE A 68 2.935 7.287 3.863 1.00 0.00 H new ATOM 1080 N LYS A 69 1.175 7.173 8.708 1.00 0.00 N ATOM 1081 CA LYS A 69 1.438 7.233 10.152 1.00 0.00 C ATOM 1082 C LYS A 69 2.452 6.162 10.562 1.00 0.00 C ATOM 1083 O LYS A 69 3.326 6.398 11.400 1.00 0.00 O ATOM 1084 CB LYS A 69 0.136 7.054 10.939 1.00 0.00 C ATOM 1085 CG LYS A 69 0.289 7.297 12.430 1.00 0.00 C ATOM 1086 CD LYS A 69 -0.024 6.046 13.235 1.00 0.00 C ATOM 1087 CE LYS A 69 1.226 5.219 13.479 1.00 0.00 C ATOM 1088 NZ LYS A 69 1.355 4.792 14.901 1.00 0.00 N ATOM 0 H LYS A 69 0.187 7.093 8.467 1.00 0.00 H new ATOM 0 HA LYS A 69 1.857 8.213 10.382 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -0.615 7.738 10.543 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -0.238 6.043 10.781 1.00 0.00 H new ATOM 0 HG2 LYS A 69 1.307 7.623 12.644 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -0.375 8.104 12.738 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -0.469 6.327 14.190 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -0.762 5.445 12.704 1.00 0.00 H new ATOM 0 HE2 LYS A 69 1.206 4.338 12.838 1.00 0.00 H new ATOM 0 HE3 LYS A 69 2.104 5.800 13.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 2.223 4.231 15.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 1.401 5.632 15.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 0.531 4.215 15.166 1.00 0.00 H new ATOM 1102 N GLU A 70 2.346 4.993 9.939 1.00 0.00 N ATOM 1103 CA GLU A 70 3.272 3.897 10.202 1.00 0.00 C ATOM 1104 C GLU A 70 4.606 4.204 9.536 1.00 0.00 C ATOM 1105 O GLU A 70 5.665 3.893 10.078 1.00 0.00 O ATOM 1106 CB GLU A 70 2.713 2.565 9.683 1.00 0.00 C ATOM 1107 CG GLU A 70 1.227 2.370 9.954 1.00 0.00 C ATOM 1108 CD GLU A 70 0.945 1.672 11.272 1.00 0.00 C ATOM 1109 OE1 GLU A 70 1.450 2.139 12.314 1.00 0.00 O ATOM 1110 OE2 GLU A 70 0.210 0.662 11.262 1.00 0.00 O ATOM 0 H GLU A 70 1.627 4.780 9.247 1.00 0.00 H new ATOM 0 HA GLU A 70 3.410 3.801 11.279 1.00 0.00 H new ATOM 0 HB2 GLU A 70 2.887 2.503 8.609 1.00 0.00 H new ATOM 0 HB3 GLU A 70 3.266 1.746 10.143 1.00 0.00 H new ATOM 0 HG2 GLU A 70 0.734 3.342 9.952 1.00 0.00 H new ATOM 0 HG3 GLU A 70 0.790 1.789 9.142 1.00 0.00 H new ATOM 1117 N VAL A 71 4.546 4.836 8.357 1.00 0.00 N ATOM 1118 CA VAL A 71 5.752 5.203 7.622 1.00 0.00 C ATOM 1119 C VAL A 71 6.570 6.263 8.377 1.00 0.00 C ATOM 1120 O VAL A 71 7.795 6.158 8.461 1.00 0.00 O ATOM 1121 CB VAL A 71 5.440 5.741 6.205 1.00 0.00 C ATOM 1122 CG1 VAL A 71 6.716 5.844 5.391 1.00 0.00 C ATOM 1123 CG2 VAL A 71 4.424 4.869 5.478 1.00 0.00 C ATOM 0 H VAL A 71 3.675 5.101 7.897 1.00 0.00 H new ATOM 0 HA VAL A 71 6.332 4.285 7.529 1.00 0.00 H new ATOM 0 HB VAL A 71 5.003 6.733 6.319 1.00 0.00 H new ATOM 0 HG11 VAL A 71 6.483 6.224 4.396 1.00 0.00 H new ATOM 0 HG12 VAL A 71 7.409 6.524 5.886 1.00 0.00 H new ATOM 0 HG13 VAL A 71 7.173 4.858 5.305 1.00 0.00 H new ATOM 0 HG21 VAL A 71 4.233 5.282 4.487 1.00 0.00 H new ATOM 0 HG22 VAL A 71 4.817 3.857 5.380 1.00 0.00 H new ATOM 0 HG23 VAL A 71 3.494 4.844 6.046 1.00 0.00 H new ATOM 1133 N GLU A 72 5.889 7.278 8.929 1.00 0.00 N ATOM 1134 CA GLU A 72 6.567 8.346 9.678 1.00 0.00 C ATOM 1135 C GLU A 72 7.245 7.763 10.909 1.00 0.00 C ATOM 1136 O GLU A 72 8.436 7.977 11.131 1.00 0.00 O ATOM 1137 CB GLU A 72 5.595 9.465 10.087 1.00 0.00 C ATOM 1138 CG GLU A 72 4.169 8.999 10.329 1.00 0.00 C ATOM 1139 CD GLU A 72 3.385 9.928 11.238 1.00 0.00 C ATOM 1140 OE1 GLU A 72 2.794 10.902 10.725 1.00 0.00 O ATOM 1141 OE2 GLU A 72 3.357 9.679 12.460 1.00 0.00 O ATOM 0 H GLU A 72 4.876 7.382 8.872 1.00 0.00 H new ATOM 0 HA GLU A 72 7.317 8.788 9.023 1.00 0.00 H new ATOM 0 HB2 GLU A 72 5.968 9.940 10.994 1.00 0.00 H new ATOM 0 HB3 GLU A 72 5.588 10.227 9.308 1.00 0.00 H new ATOM 0 HG2 GLU A 72 3.653 8.916 9.372 1.00 0.00 H new ATOM 0 HG3 GLU A 72 4.189 8.002 10.768 1.00 0.00 H new ATOM 1148 N ALA A 73 6.483 6.994 11.687 1.00 0.00 N ATOM 1149 CA ALA A 73 7.015 6.341 12.878 1.00 0.00 C ATOM 1150 C ALA A 73 8.157 5.392 12.506 1.00 0.00 C ATOM 1151 O ALA A 73 9.008 5.071 13.335 1.00 0.00 O ATOM 1152 CB ALA A 73 5.907 5.573 13.578 1.00 0.00 C ATOM 0 H ALA A 73 5.495 6.809 11.512 1.00 0.00 H new ATOM 0 HA ALA A 73 7.406 7.103 13.551 1.00 0.00 H new ATOM 0 HB1 ALA A 73 6.307 5.086 14.467 1.00 0.00 H new ATOM 0 HB2 ALA A 73 5.114 6.262 13.868 1.00 0.00 H new ATOM 0 HB3 ALA A 73 5.504 4.819 12.902 1.00 0.00 H new ATOM 1158 N GLY A 74 8.150 4.940 11.249 1.00 0.00 N ATOM 1159 CA GLY A 74 9.159 4.023 10.759 1.00 0.00 C ATOM 1160 C GLY A 74 8.825 2.587 11.110 1.00 0.00 C ATOM 1161 O GLY A 74 9.642 1.868 11.684 1.00 0.00 O ATOM 0 H GLY A 74 7.449 5.201 10.556 1.00 0.00 H new ATOM 0 HA2 GLY A 74 9.248 4.123 9.677 1.00 0.00 H new ATOM 0 HA3 GLY A 74 10.128 4.286 11.184 1.00 0.00 H new ATOM 1165 N ASN A 75 7.604 2.185 10.759 1.00 0.00 N ATOM 1166 CA ASN A 75 7.103 0.843 11.020 1.00 0.00 C ATOM 1167 C ASN A 75 6.861 0.090 9.714 1.00 0.00 C ATOM 1168 O ASN A 75 7.199 -1.080 9.594 1.00 0.00 O ATOM 1169 CB ASN A 75 5.797 0.937 11.812 1.00 0.00 C ATOM 1170 CG ASN A 75 6.011 0.945 13.311 1.00 0.00 C ATOM 1171 OD1 ASN A 75 7.082 0.594 13.807 1.00 0.00 O ATOM 1172 ND2 ASN A 75 4.980 1.343 14.041 1.00 0.00 N ATOM 0 H ASN A 75 6.933 2.788 10.283 1.00 0.00 H new ATOM 0 HA ASN A 75 7.849 0.296 11.597 1.00 0.00 H new ATOM 0 HB2 ASN A 75 5.267 1.844 11.522 1.00 0.00 H new ATOM 0 HB3 ASN A 75 5.157 0.096 11.547 1.00 0.00 H new ATOM 0 HD21 ASN A 75 5.054 1.368 15.058 1.00 0.00 H new ATOM 0 HD22 ASN A 75 4.112 1.625 13.586 1.00 0.00 H new ATOM 1179 N VAL A 76 6.265 0.758 8.733 1.00 0.00 N ATOM 1180 CA VAL A 76 5.985 0.121 7.452 1.00 0.00 C ATOM 1181 C VAL A 76 7.280 -0.322 6.750 1.00 0.00 C ATOM 1182 O VAL A 76 7.880 0.440 5.989 1.00 0.00 O ATOM 1183 CB VAL A 76 5.193 1.062 6.516 1.00 0.00 C ATOM 1184 CG1 VAL A 76 5.998 2.303 6.187 1.00 0.00 C ATOM 1185 CG2 VAL A 76 4.787 0.334 5.245 1.00 0.00 C ATOM 0 H VAL A 76 5.969 1.732 8.799 1.00 0.00 H new ATOM 0 HA VAL A 76 5.379 -0.760 7.665 1.00 0.00 H new ATOM 0 HB VAL A 76 4.289 1.375 7.037 1.00 0.00 H new ATOM 0 HG11 VAL A 76 5.418 2.948 5.527 1.00 0.00 H new ATOM 0 HG12 VAL A 76 6.231 2.840 7.107 1.00 0.00 H new ATOM 0 HG13 VAL A 76 6.924 2.015 5.690 1.00 0.00 H new ATOM 0 HG21 VAL A 76 4.230 1.013 4.599 1.00 0.00 H new ATOM 0 HG22 VAL A 76 5.679 -0.013 4.724 1.00 0.00 H new ATOM 0 HG23 VAL A 76 4.160 -0.520 5.500 1.00 0.00 H new ATOM 1195 N GLU A 77 7.703 -1.562 6.997 1.00 0.00 N ATOM 1196 CA GLU A 77 8.915 -2.091 6.369 1.00 0.00 C ATOM 1197 C GLU A 77 8.607 -2.685 4.986 1.00 0.00 C ATOM 1198 O GLU A 77 9.509 -3.145 4.290 1.00 0.00 O ATOM 1199 CB GLU A 77 9.591 -3.133 7.274 1.00 0.00 C ATOM 1200 CG GLU A 77 9.010 -4.532 7.154 1.00 0.00 C ATOM 1201 CD GLU A 77 10.048 -5.626 7.303 1.00 0.00 C ATOM 1202 OE1 GLU A 77 10.940 -5.722 6.434 1.00 0.00 O ATOM 1203 OE2 GLU A 77 9.962 -6.396 8.282 1.00 0.00 O ATOM 0 H GLU A 77 7.229 -2.214 7.622 1.00 0.00 H new ATOM 0 HA GLU A 77 9.609 -1.262 6.230 1.00 0.00 H new ATOM 0 HB2 GLU A 77 10.654 -3.171 7.034 1.00 0.00 H new ATOM 0 HB3 GLU A 77 9.509 -2.805 8.310 1.00 0.00 H new ATOM 0 HG2 GLU A 77 8.240 -4.665 7.914 1.00 0.00 H new ATOM 0 HG3 GLU A 77 8.522 -4.633 6.185 1.00 0.00 H new ATOM 1210 N THR A 78 7.327 -2.664 4.592 1.00 0.00 N ATOM 1211 CA THR A 78 6.897 -3.188 3.295 1.00 0.00 C ATOM 1212 C THR A 78 5.570 -2.571 2.888 1.00 0.00 C ATOM 1213 O THR A 78 4.761 -2.209 3.741 1.00 0.00 O ATOM 1214 CB THR A 78 6.744 -4.712 3.324 1.00 0.00 C ATOM 1215 OG1 THR A 78 7.623 -5.314 4.260 1.00 0.00 O ATOM 1216 CG2 THR A 78 7.014 -5.339 1.982 1.00 0.00 C ATOM 0 H THR A 78 6.569 -2.286 5.160 1.00 0.00 H new ATOM 0 HA THR A 78 7.669 -2.926 2.571 1.00 0.00 H new ATOM 0 HB THR A 78 5.708 -4.889 3.612 1.00 0.00 H new ATOM 0 HG1 THR A 78 7.495 -6.286 4.251 1.00 0.00 H new ATOM 0 HG21 THR A 78 6.893 -6.420 2.054 1.00 0.00 H new ATOM 0 HG22 THR A 78 6.312 -4.943 1.248 1.00 0.00 H new ATOM 0 HG23 THR A 78 8.033 -5.108 1.671 1.00 0.00 H new ATOM 1224 N LEU A 79 5.341 -2.469 1.584 1.00 0.00 N ATOM 1225 CA LEU A 79 4.095 -1.915 1.081 1.00 0.00 C ATOM 1226 C LEU A 79 3.492 -2.822 0.023 1.00 0.00 C ATOM 1227 O LEU A 79 4.098 -3.083 -1.015 1.00 0.00 O ATOM 1228 CB LEU A 79 4.300 -0.520 0.498 1.00 0.00 C ATOM 1229 CG LEU A 79 3.055 0.394 0.467 1.00 0.00 C ATOM 1230 CD1 LEU A 79 1.778 -0.403 0.279 1.00 0.00 C ATOM 1231 CD2 LEU A 79 2.946 1.227 1.727 1.00 0.00 C ATOM 0 H LEU A 79 5.999 -2.761 0.862 1.00 0.00 H new ATOM 0 HA LEU A 79 3.410 -1.841 1.926 1.00 0.00 H new ATOM 0 HB2 LEU A 79 5.079 -0.019 1.073 1.00 0.00 H new ATOM 0 HB3 LEU A 79 4.674 -0.625 -0.521 1.00 0.00 H new ATOM 0 HG LEU A 79 3.182 1.059 -0.387 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.925 0.275 0.262 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.825 -0.949 -0.663 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.665 -1.108 1.102 1.00 0.00 H new ATOM 0 HD21 LEU A 79 2.059 1.858 1.671 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.869 0.569 2.593 1.00 0.00 H new ATOM 0 HD23 LEU A 79 3.832 1.855 1.826 1.00 0.00 H new ATOM 1243 N ILE A 80 2.293 -3.288 0.304 1.00 0.00 N ATOM 1244 CA ILE A 80 1.563 -4.160 -0.599 1.00 0.00 C ATOM 1245 C ILE A 80 0.321 -3.448 -1.145 1.00 0.00 C ATOM 1246 O ILE A 80 -0.609 -3.126 -0.396 1.00 0.00 O ATOM 1247 CB ILE A 80 1.158 -5.470 0.110 1.00 0.00 C ATOM 1248 CG1 ILE A 80 2.358 -6.413 0.222 1.00 0.00 C ATOM 1249 CG2 ILE A 80 0.018 -6.152 -0.622 1.00 0.00 C ATOM 1250 CD1 ILE A 80 3.391 -5.964 1.232 1.00 0.00 C ATOM 0 H ILE A 80 1.794 -3.073 1.167 1.00 0.00 H new ATOM 0 HA ILE A 80 2.219 -4.409 -1.433 1.00 0.00 H new ATOM 0 HB ILE A 80 0.817 -5.219 1.114 1.00 0.00 H new ATOM 0 HG12 ILE A 80 2.004 -7.407 0.495 1.00 0.00 H new ATOM 0 HG13 ILE A 80 2.832 -6.501 -0.755 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -0.249 -7.073 -0.103 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -0.846 -5.488 -0.650 1.00 0.00 H new ATOM 0 HG23 ILE A 80 0.328 -6.387 -1.640 1.00 0.00 H new ATOM 0 HD11 ILE A 80 4.212 -6.681 1.256 1.00 0.00 H new ATOM 0 HD12 ILE A 80 3.774 -4.983 0.949 1.00 0.00 H new ATOM 0 HD13 ILE A 80 2.933 -5.904 2.219 1.00 0.00 H new ATOM 1262 N VAL A 81 0.324 -3.204 -2.455 1.00 0.00 N ATOM 1263 CA VAL A 81 -0.783 -2.531 -3.131 1.00 0.00 C ATOM 1264 C VAL A 81 -1.180 -3.292 -4.398 1.00 0.00 C ATOM 1265 O VAL A 81 -0.333 -3.910 -5.049 1.00 0.00 O ATOM 1266 CB VAL A 81 -0.406 -1.087 -3.541 1.00 0.00 C ATOM 1267 CG1 VAL A 81 -1.629 -0.330 -4.031 1.00 0.00 C ATOM 1268 CG2 VAL A 81 0.259 -0.320 -2.396 1.00 0.00 C ATOM 0 H VAL A 81 1.091 -3.466 -3.075 1.00 0.00 H new ATOM 0 HA VAL A 81 -1.613 -2.503 -2.425 1.00 0.00 H new ATOM 0 HB VAL A 81 0.316 -1.165 -4.354 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -1.341 0.682 -4.314 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -2.052 -0.842 -4.896 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -2.373 -0.287 -3.236 1.00 0.00 H new ATOM 0 HG21 VAL A 81 0.506 0.688 -2.729 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -0.425 -0.265 -1.549 1.00 0.00 H new ATOM 0 HG23 VAL A 81 1.170 -0.836 -2.093 1.00 0.00 H new ATOM 1278 N LYS A 82 -2.463 -3.229 -4.762 1.00 0.00 N ATOM 1279 CA LYS A 82 -2.947 -3.895 -5.967 1.00 0.00 C ATOM 1280 C LYS A 82 -2.209 -3.372 -7.208 1.00 0.00 C ATOM 1281 O LYS A 82 -1.996 -4.114 -8.158 1.00 0.00 O ATOM 1282 CB LYS A 82 -4.453 -3.682 -6.122 1.00 0.00 C ATOM 1283 CG LYS A 82 -5.214 -4.958 -6.418 1.00 0.00 C ATOM 1284 CD LYS A 82 -4.908 -5.464 -7.813 1.00 0.00 C ATOM 1285 CE LYS A 82 -4.629 -6.956 -7.816 1.00 0.00 C ATOM 1286 NZ LYS A 82 -4.989 -7.594 -9.112 1.00 0.00 N ATOM 0 H LYS A 82 -3.180 -2.725 -4.240 1.00 0.00 H new ATOM 0 HA LYS A 82 -2.750 -4.963 -5.871 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -4.846 -3.238 -5.207 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -4.631 -2.967 -6.926 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -4.950 -5.721 -5.685 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -6.285 -4.778 -6.320 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -5.749 -5.249 -8.472 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -4.046 -4.931 -8.213 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -3.572 -7.126 -7.611 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -5.191 -7.430 -7.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -4.673 -8.585 -9.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -6.020 -7.560 -9.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -4.525 -7.084 -9.891 1.00 0.00 H new ATOM 1300 N ASP A 83 -1.816 -2.089 -7.179 1.00 0.00 N ATOM 1301 CA ASP A 83 -1.088 -1.456 -8.289 1.00 0.00 C ATOM 1302 C ASP A 83 -0.730 -0.003 -7.960 1.00 0.00 C ATOM 1303 O ASP A 83 -1.325 0.608 -7.070 1.00 0.00 O ATOM 1304 CB ASP A 83 -1.889 -1.519 -9.596 1.00 0.00 C ATOM 1305 CG ASP A 83 -3.340 -1.116 -9.427 1.00 0.00 C ATOM 1306 OD1 ASP A 83 -3.614 0.098 -9.354 1.00 0.00 O ATOM 1307 OD2 ASP A 83 -4.203 -2.016 -9.372 1.00 0.00 O ATOM 0 H ASP A 83 -1.992 -1.465 -6.391 1.00 0.00 H new ATOM 0 HA ASP A 83 -0.164 -2.018 -8.428 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -1.421 -0.867 -10.333 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -1.844 -2.533 -9.994 1.00 0.00 H new ATOM 1312 N MET A 84 0.260 0.537 -8.679 1.00 0.00 N ATOM 1313 CA MET A 84 0.727 1.913 -8.465 1.00 0.00 C ATOM 1314 C MET A 84 -0.315 2.975 -8.852 1.00 0.00 C ATOM 1315 O MET A 84 -0.079 4.170 -8.655 1.00 0.00 O ATOM 1316 CB MET A 84 2.021 2.159 -9.250 1.00 0.00 C ATOM 1317 CG MET A 84 3.264 1.600 -8.577 1.00 0.00 C ATOM 1318 SD MET A 84 4.230 2.864 -7.735 1.00 0.00 S ATOM 1319 CE MET A 84 3.881 2.465 -6.027 1.00 0.00 C ATOM 0 H MET A 84 0.756 0.040 -9.418 1.00 0.00 H new ATOM 0 HA MET A 84 0.906 2.014 -7.394 1.00 0.00 H new ATOM 0 HB2 MET A 84 1.924 1.714 -10.240 1.00 0.00 H new ATOM 0 HB3 MET A 84 2.149 3.232 -9.394 1.00 0.00 H new ATOM 0 HG2 MET A 84 2.970 0.835 -7.858 1.00 0.00 H new ATOM 0 HG3 MET A 84 3.888 1.111 -9.325 1.00 0.00 H new ATOM 0 HE1 MET A 84 4.771 2.642 -5.423 1.00 0.00 H new ATOM 0 HE2 MET A 84 3.067 3.093 -5.666 1.00 0.00 H new ATOM 0 HE3 MET A 84 3.592 1.417 -5.950 1.00 0.00 H new ATOM 1329 N SER A 85 -1.467 2.558 -9.385 1.00 0.00 N ATOM 1330 CA SER A 85 -2.504 3.514 -9.764 1.00 0.00 C ATOM 1331 C SER A 85 -3.177 4.104 -8.526 1.00 0.00 C ATOM 1332 O SER A 85 -3.764 5.183 -8.592 1.00 0.00 O ATOM 1333 CB SER A 85 -3.545 2.854 -10.670 1.00 0.00 C ATOM 1334 OG SER A 85 -3.569 3.467 -11.946 1.00 0.00 O ATOM 0 H SER A 85 -1.700 1.581 -9.561 1.00 0.00 H new ATOM 0 HA SER A 85 -2.028 4.324 -10.317 1.00 0.00 H new ATOM 0 HB2 SER A 85 -3.319 1.793 -10.777 1.00 0.00 H new ATOM 0 HB3 SER A 85 -4.530 2.925 -10.210 1.00 0.00 H new ATOM 0 HG SER A 85 -4.241 3.027 -12.508 1.00 0.00 H new ATOM 1340 N ARG A 86 -3.082 3.395 -7.394 1.00 0.00 N ATOM 1341 CA ARG A 86 -3.677 3.860 -6.146 1.00 0.00 C ATOM 1342 C ARG A 86 -3.071 5.196 -5.715 1.00 0.00 C ATOM 1343 O ARG A 86 -3.767 6.208 -5.659 1.00 0.00 O ATOM 1344 CB ARG A 86 -3.496 2.822 -5.035 1.00 0.00 C ATOM 1345 CG ARG A 86 -4.243 1.523 -5.281 1.00 0.00 C ATOM 1346 CD ARG A 86 -5.684 1.599 -4.808 1.00 0.00 C ATOM 1347 NE ARG A 86 -6.492 0.511 -5.359 1.00 0.00 N ATOM 1348 CZ ARG A 86 -6.342 -0.776 -5.026 1.00 0.00 C ATOM 1349 NH1 ARG A 86 -5.416 -1.143 -4.143 1.00 0.00 N ATOM 1350 NH2 ARG A 86 -7.124 -1.698 -5.573 1.00 0.00 N ATOM 0 H ARG A 86 -2.599 2.500 -7.322 1.00 0.00 H new ATOM 0 HA ARG A 86 -4.743 4.002 -6.322 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -2.434 2.604 -4.924 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -3.833 3.251 -4.091 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -4.222 1.289 -6.345 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -3.734 0.709 -4.765 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -5.712 1.558 -3.719 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -6.114 2.557 -5.102 1.00 0.00 H new ATOM 0 HE ARG A 86 -7.214 0.748 -6.039 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -4.813 -0.441 -3.714 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -5.309 -2.127 -3.895 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -7.839 -1.425 -6.247 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -7.010 -2.679 -5.319 1.00 0.00 H new ATOM 1364 N LEU A 87 -1.770 5.194 -5.417 1.00 0.00 N ATOM 1365 CA LEU A 87 -1.078 6.414 -4.993 1.00 0.00 C ATOM 1366 C LEU A 87 -0.975 7.425 -6.130 1.00 0.00 C ATOM 1367 O LEU A 87 -1.017 8.633 -5.886 1.00 0.00 O ATOM 1368 CB LEU A 87 0.312 6.079 -4.449 1.00 0.00 C ATOM 1369 CG LEU A 87 0.323 5.312 -3.122 1.00 0.00 C ATOM 1370 CD1 LEU A 87 0.390 3.813 -3.373 1.00 0.00 C ATOM 1371 CD2 LEU A 87 1.489 5.761 -2.254 1.00 0.00 C ATOM 0 H LEU A 87 -1.176 4.366 -5.461 1.00 0.00 H new ATOM 0 HA LEU A 87 -1.668 6.869 -4.197 1.00 0.00 H new ATOM 0 HB2 LEU A 87 0.845 5.490 -5.196 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.868 7.008 -4.319 1.00 0.00 H new ATOM 0 HG LEU A 87 -0.604 5.531 -2.591 1.00 0.00 H new ATOM 0 HD11 LEU A 87 0.397 3.284 -2.420 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -0.478 3.502 -3.954 1.00 0.00 H new ATOM 0 HD13 LEU A 87 1.299 3.577 -3.925 1.00 0.00 H new ATOM 0 HD21 LEU A 87 1.480 5.205 -1.316 1.00 0.00 H new ATOM 0 HD22 LEU A 87 2.426 5.573 -2.778 1.00 0.00 H new ATOM 0 HD23 LEU A 87 1.398 6.827 -2.045 1.00 0.00 H new ATOM 1383 N GLY A 88 -0.861 6.942 -7.368 1.00 0.00 N ATOM 1384 CA GLY A 88 -0.784 7.855 -8.496 1.00 0.00 C ATOM 1385 C GLY A 88 0.235 7.465 -9.544 1.00 0.00 C ATOM 1386 O GLY A 88 1.124 6.652 -9.295 1.00 0.00 O ATOM 0 H GLY A 88 -0.821 5.951 -7.606 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -1.766 7.917 -8.966 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -0.544 8.852 -8.126 1.00 0.00 H new ATOM 1390 N ARG A 89 0.099 8.073 -10.722 1.00 0.00 N ATOM 1391 CA ARG A 89 1.004 7.823 -11.838 1.00 0.00 C ATOM 1392 C ARG A 89 2.307 8.605 -11.657 1.00 0.00 C ATOM 1393 O ARG A 89 3.374 8.140 -12.055 1.00 0.00 O ATOM 1394 CB ARG A 89 0.341 8.218 -13.159 1.00 0.00 C ATOM 1395 CG ARG A 89 -0.909 7.414 -13.485 1.00 0.00 C ATOM 1396 CD ARG A 89 -2.158 8.060 -12.904 1.00 0.00 C ATOM 1397 NE ARG A 89 -2.942 7.122 -12.100 1.00 0.00 N ATOM 1398 CZ ARG A 89 -4.227 7.300 -11.782 1.00 0.00 C ATOM 1399 NH1 ARG A 89 -4.876 8.395 -12.171 1.00 0.00 N ATOM 1400 NH2 ARG A 89 -4.864 6.381 -11.065 1.00 0.00 N ATOM 0 H ARG A 89 -0.638 8.748 -10.927 1.00 0.00 H new ATOM 0 HA ARG A 89 1.233 6.758 -11.861 1.00 0.00 H new ATOM 0 HB2 ARG A 89 0.081 9.276 -13.122 1.00 0.00 H new ATOM 0 HB3 ARG A 89 1.062 8.095 -13.967 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -1.014 7.326 -14.566 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -0.805 6.403 -13.091 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -1.871 8.912 -12.288 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -2.776 8.446 -13.715 1.00 0.00 H new ATOM 0 HE ARG A 89 -2.478 6.279 -11.761 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -4.392 9.108 -12.717 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -5.857 8.521 -11.923 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -4.372 5.542 -10.759 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -5.845 6.515 -10.821 1.00 0.00 H new ATOM 1414 N ASN A 90 2.198 9.797 -11.054 1.00 0.00 N ATOM 1415 CA ASN A 90 3.352 10.673 -10.807 1.00 0.00 C ATOM 1416 C ASN A 90 4.459 9.942 -10.043 1.00 0.00 C ATOM 1417 O ASN A 90 4.495 9.955 -8.813 1.00 0.00 O ATOM 1418 CB ASN A 90 2.924 11.927 -10.024 1.00 0.00 C ATOM 1419 CG ASN A 90 1.794 11.661 -9.041 1.00 0.00 C ATOM 1420 OD1 ASN A 90 0.658 12.073 -9.266 1.00 0.00 O ATOM 1421 ND2 ASN A 90 2.098 10.971 -7.948 1.00 0.00 N ATOM 0 H ASN A 90 1.312 10.180 -10.725 1.00 0.00 H new ATOM 0 HA ASN A 90 3.745 10.972 -11.778 1.00 0.00 H new ATOM 0 HB2 ASN A 90 3.784 12.320 -9.482 1.00 0.00 H new ATOM 0 HB3 ASN A 90 2.611 12.698 -10.728 1.00 0.00 H new ATOM 0 HD21 ASN A 90 1.376 10.765 -7.258 1.00 0.00 H new ATOM 0 HD22 ASN A 90 3.054 10.647 -7.799 1.00 0.00 H new ATOM 1428 N TYR A 91 5.361 9.310 -10.789 1.00 0.00 N ATOM 1429 CA TYR A 91 6.478 8.565 -10.207 1.00 0.00 C ATOM 1430 C TYR A 91 7.403 9.463 -9.372 1.00 0.00 C ATOM 1431 O TYR A 91 8.207 8.963 -8.584 1.00 0.00 O ATOM 1432 CB TYR A 91 7.245 7.856 -11.325 1.00 0.00 C ATOM 1433 CG TYR A 91 8.478 7.093 -10.881 1.00 0.00 C ATOM 1434 CD1 TYR A 91 9.710 7.725 -10.779 1.00 0.00 C ATOM 1435 CD2 TYR A 91 8.410 5.737 -10.584 1.00 0.00 C ATOM 1436 CE1 TYR A 91 10.837 7.031 -10.388 1.00 0.00 C ATOM 1437 CE2 TYR A 91 9.535 5.035 -10.195 1.00 0.00 C ATOM 1438 CZ TYR A 91 10.746 5.688 -10.098 1.00 0.00 C ATOM 1439 OH TYR A 91 11.870 4.998 -9.710 1.00 0.00 O ATOM 0 H TYR A 91 5.341 9.298 -11.809 1.00 0.00 H new ATOM 0 HA TYR A 91 6.077 7.822 -9.518 1.00 0.00 H new ATOM 0 HB2 TYR A 91 6.569 7.162 -11.824 1.00 0.00 H new ATOM 0 HB3 TYR A 91 7.544 8.598 -12.065 1.00 0.00 H new ATOM 0 HD1 TYR A 91 9.788 8.777 -11.009 1.00 0.00 H new ATOM 0 HD2 TYR A 91 7.463 5.224 -10.658 1.00 0.00 H new ATOM 0 HE1 TYR A 91 11.787 7.539 -10.310 1.00 0.00 H new ATOM 0 HE2 TYR A 91 9.466 3.981 -9.968 1.00 0.00 H new ATOM 0 HH TYR A 91 11.723 4.037 -9.833 1.00 0.00 H new ATOM 1449 N LEU A 92 7.273 10.786 -9.521 1.00 0.00 N ATOM 1450 CA LEU A 92 8.086 11.725 -8.748 1.00 0.00 C ATOM 1451 C LEU A 92 7.680 11.663 -7.280 1.00 0.00 C ATOM 1452 O LEU A 92 8.500 11.385 -6.405 1.00 0.00 O ATOM 1453 CB LEU A 92 7.921 13.154 -9.266 1.00 0.00 C ATOM 1454 CG LEU A 92 8.381 13.382 -10.704 1.00 0.00 C ATOM 1455 CD1 LEU A 92 7.356 12.820 -11.670 1.00 0.00 C ATOM 1456 CD2 LEU A 92 8.613 14.862 -10.966 1.00 0.00 C ATOM 0 H LEU A 92 6.617 11.226 -10.166 1.00 0.00 H new ATOM 0 HA LEU A 92 9.133 11.441 -8.856 1.00 0.00 H new ATOM 0 HB2 LEU A 92 6.870 13.432 -9.189 1.00 0.00 H new ATOM 0 HB3 LEU A 92 8.477 13.827 -8.613 1.00 0.00 H new ATOM 0 HG LEU A 92 9.327 12.862 -10.856 1.00 0.00 H new ATOM 0 HD11 LEU A 92 7.691 12.986 -12.694 1.00 0.00 H new ATOM 0 HD12 LEU A 92 7.240 11.750 -11.496 1.00 0.00 H new ATOM 0 HD13 LEU A 92 6.399 13.319 -11.516 1.00 0.00 H new ATOM 0 HD21 LEU A 92 8.940 15.002 -11.996 1.00 0.00 H new ATOM 0 HD22 LEU A 92 7.685 15.410 -10.802 1.00 0.00 H new ATOM 0 HD23 LEU A 92 9.380 15.236 -10.288 1.00 0.00 H new ATOM 1468 N GLN A 93 6.392 11.907 -7.030 1.00 0.00 N ATOM 1469 CA GLN A 93 5.835 11.866 -5.682 1.00 0.00 C ATOM 1470 C GLN A 93 5.807 10.430 -5.165 1.00 0.00 C ATOM 1471 O GLN A 93 6.277 10.148 -4.058 1.00 0.00 O ATOM 1472 CB GLN A 93 4.420 12.448 -5.687 1.00 0.00 C ATOM 1473 CG GLN A 93 4.374 13.967 -5.771 1.00 0.00 C ATOM 1474 CD GLN A 93 5.476 14.646 -4.981 1.00 0.00 C ATOM 1475 OE1 GLN A 93 5.312 14.945 -3.800 1.00 0.00 O ATOM 1476 NE2 GLN A 93 6.607 14.897 -5.633 1.00 0.00 N ATOM 0 H GLN A 93 5.711 12.137 -7.754 1.00 0.00 H new ATOM 0 HA GLN A 93 6.465 12.463 -5.022 1.00 0.00 H new ATOM 0 HB2 GLN A 93 3.870 12.031 -6.531 1.00 0.00 H new ATOM 0 HB3 GLN A 93 3.904 12.129 -4.781 1.00 0.00 H new ATOM 0 HG2 GLN A 93 4.447 14.268 -6.816 1.00 0.00 H new ATOM 0 HG3 GLN A 93 3.408 14.315 -5.406 1.00 0.00 H new ATOM 0 HE21 GLN A 93 6.700 14.632 -6.613 1.00 0.00 H new ATOM 0 HE22 GLN A 93 7.382 15.355 -5.153 1.00 0.00 H new ATOM 1485 N VAL A 94 5.274 9.518 -5.988 1.00 0.00 N ATOM 1486 CA VAL A 94 5.209 8.102 -5.622 1.00 0.00 C ATOM 1487 C VAL A 94 6.608 7.596 -5.276 1.00 0.00 C ATOM 1488 O VAL A 94 6.802 6.885 -4.283 1.00 0.00 O ATOM 1489 CB VAL A 94 4.618 7.218 -6.752 1.00 0.00 C ATOM 1490 CG1 VAL A 94 4.271 5.838 -6.220 1.00 0.00 C ATOM 1491 CG2 VAL A 94 3.390 7.861 -7.389 1.00 0.00 C ATOM 0 H VAL A 94 4.885 9.736 -6.905 1.00 0.00 H new ATOM 0 HA VAL A 94 4.545 8.026 -4.761 1.00 0.00 H new ATOM 0 HB VAL A 94 5.381 7.121 -7.525 1.00 0.00 H new ATOM 0 HG11 VAL A 94 3.858 5.231 -7.025 1.00 0.00 H new ATOM 0 HG12 VAL A 94 5.171 5.361 -5.831 1.00 0.00 H new ATOM 0 HG13 VAL A 94 3.535 5.930 -5.421 1.00 0.00 H new ATOM 0 HG21 VAL A 94 3.006 7.211 -8.175 1.00 0.00 H new ATOM 0 HG22 VAL A 94 2.621 8.007 -6.631 1.00 0.00 H new ATOM 0 HG23 VAL A 94 3.665 8.825 -7.817 1.00 0.00 H new ATOM 1501 N GLY A 95 7.587 7.996 -6.094 1.00 0.00 N ATOM 1502 CA GLY A 95 8.961 7.607 -5.859 1.00 0.00 C ATOM 1503 C GLY A 95 9.482 8.186 -4.571 1.00 0.00 C ATOM 1504 O GLY A 95 10.010 7.462 -3.746 1.00 0.00 O ATOM 0 H GLY A 95 7.445 8.584 -6.915 1.00 0.00 H new ATOM 0 HA2 GLY A 95 9.033 6.520 -5.826 1.00 0.00 H new ATOM 0 HA3 GLY A 95 9.583 7.943 -6.689 1.00 0.00 H new ATOM 1508 N PHE A 96 9.308 9.496 -4.389 1.00 0.00 N ATOM 1509 CA PHE A 96 9.746 10.169 -3.166 1.00 0.00 C ATOM 1510 C PHE A 96 9.386 9.318 -1.946 1.00 0.00 C ATOM 1511 O PHE A 96 10.198 9.135 -1.044 1.00 0.00 O ATOM 1512 CB PHE A 96 9.096 11.558 -3.069 1.00 0.00 C ATOM 1513 CG PHE A 96 8.979 12.093 -1.667 1.00 0.00 C ATOM 1514 CD1 PHE A 96 7.962 11.664 -0.828 1.00 0.00 C ATOM 1515 CD2 PHE A 96 9.886 13.025 -1.191 1.00 0.00 C ATOM 1516 CE1 PHE A 96 7.855 12.154 0.457 1.00 0.00 C ATOM 1517 CE2 PHE A 96 9.781 13.519 0.094 1.00 0.00 C ATOM 1518 CZ PHE A 96 8.765 13.083 0.919 1.00 0.00 C ATOM 0 H PHE A 96 8.867 10.111 -5.073 1.00 0.00 H new ATOM 0 HA PHE A 96 10.828 10.296 -3.194 1.00 0.00 H new ATOM 0 HB2 PHE A 96 9.678 12.261 -3.666 1.00 0.00 H new ATOM 0 HB3 PHE A 96 8.101 11.512 -3.512 1.00 0.00 H new ATOM 0 HD1 PHE A 96 7.246 10.938 -1.184 1.00 0.00 H new ATOM 0 HD2 PHE A 96 10.684 13.369 -1.832 1.00 0.00 H new ATOM 0 HE1 PHE A 96 7.059 11.811 1.101 1.00 0.00 H new ATOM 0 HE2 PHE A 96 10.494 14.246 0.453 1.00 0.00 H new ATOM 0 HZ PHE A 96 8.682 13.468 1.925 1.00 0.00 H new ATOM 1528 N TYR A 97 8.168 8.782 -1.937 1.00 0.00 N ATOM 1529 CA TYR A 97 7.719 7.937 -0.835 1.00 0.00 C ATOM 1530 C TYR A 97 8.532 6.644 -0.767 1.00 0.00 C ATOM 1531 O TYR A 97 8.983 6.246 0.300 1.00 0.00 O ATOM 1532 CB TYR A 97 6.232 7.609 -0.985 1.00 0.00 C ATOM 1533 CG TYR A 97 5.342 8.809 -0.774 1.00 0.00 C ATOM 1534 CD1 TYR A 97 5.367 9.510 0.424 1.00 0.00 C ATOM 1535 CD2 TYR A 97 4.491 9.252 -1.775 1.00 0.00 C ATOM 1536 CE1 TYR A 97 4.567 10.616 0.619 1.00 0.00 C ATOM 1537 CE2 TYR A 97 3.690 10.360 -1.589 1.00 0.00 C ATOM 1538 CZ TYR A 97 3.730 11.039 -0.390 1.00 0.00 C ATOM 1539 OH TYR A 97 2.935 12.147 -0.202 1.00 0.00 O ATOM 0 H TYR A 97 7.478 8.917 -2.676 1.00 0.00 H new ATOM 0 HA TYR A 97 7.871 8.489 0.093 1.00 0.00 H new ATOM 0 HB2 TYR A 97 6.054 7.201 -1.980 1.00 0.00 H new ATOM 0 HB3 TYR A 97 5.962 6.833 -0.269 1.00 0.00 H new ATOM 0 HD1 TYR A 97 6.024 9.184 1.217 1.00 0.00 H new ATOM 0 HD2 TYR A 97 4.455 8.721 -2.715 1.00 0.00 H new ATOM 0 HE1 TYR A 97 4.596 11.148 1.558 1.00 0.00 H new ATOM 0 HE2 TYR A 97 3.034 10.694 -2.380 1.00 0.00 H new ATOM 0 HH TYR A 97 2.406 12.311 -1.011 1.00 0.00 H new ATOM 1549 N THR A 98 8.698 5.987 -1.911 1.00 0.00 N ATOM 1550 CA THR A 98 9.432 4.718 -1.977 1.00 0.00 C ATOM 1551 C THR A 98 10.966 4.885 -2.072 1.00 0.00 C ATOM 1552 O THR A 98 11.694 3.898 -1.952 1.00 0.00 O ATOM 1553 CB THR A 98 8.931 3.916 -3.182 1.00 0.00 C ATOM 1554 OG1 THR A 98 9.222 4.594 -4.393 1.00 0.00 O ATOM 1555 CG2 THR A 98 7.439 3.660 -3.149 1.00 0.00 C ATOM 0 H THR A 98 8.335 6.309 -2.808 1.00 0.00 H new ATOM 0 HA THR A 98 9.240 4.194 -1.041 1.00 0.00 H new ATOM 0 HB THR A 98 9.451 2.960 -3.130 1.00 0.00 H new ATOM 0 HG1 THR A 98 9.582 5.483 -4.192 1.00 0.00 H new ATOM 0 HG21 THR A 98 7.148 3.088 -4.030 1.00 0.00 H new ATOM 0 HG22 THR A 98 7.186 3.097 -2.251 1.00 0.00 H new ATOM 0 HG23 THR A 98 6.907 4.611 -3.143 1.00 0.00 H new ATOM 1563 N GLU A 99 11.456 6.106 -2.326 1.00 0.00 N ATOM 1564 CA GLU A 99 12.902 6.342 -2.478 1.00 0.00 C ATOM 1565 C GLU A 99 13.529 7.074 -1.299 1.00 0.00 C ATOM 1566 O GLU A 99 14.620 6.710 -0.866 1.00 0.00 O ATOM 1567 CB GLU A 99 13.180 7.141 -3.754 1.00 0.00 C ATOM 1568 CG GLU A 99 12.391 6.668 -4.960 1.00 0.00 C ATOM 1569 CD GLU A 99 13.244 5.916 -5.968 1.00 0.00 C ATOM 1570 OE1 GLU A 99 13.962 4.978 -5.561 1.00 0.00 O ATOM 1571 OE2 GLU A 99 13.198 6.269 -7.165 1.00 0.00 O ATOM 0 H GLU A 99 10.879 6.941 -2.430 1.00 0.00 H new ATOM 0 HA GLU A 99 13.358 5.353 -2.530 1.00 0.00 H new ATOM 0 HB2 GLU A 99 12.950 8.191 -3.571 1.00 0.00 H new ATOM 0 HB3 GLU A 99 14.244 7.083 -3.983 1.00 0.00 H new ATOM 0 HG2 GLU A 99 11.579 6.022 -4.626 1.00 0.00 H new ATOM 0 HG3 GLU A 99 11.934 7.528 -5.449 1.00 0.00 H new ATOM 1578 N VAL A 100 12.878 8.130 -0.818 1.00 0.00 N ATOM 1579 CA VAL A 100 13.418 8.921 0.291 1.00 0.00 C ATOM 1580 C VAL A 100 12.635 8.724 1.596 1.00 0.00 C ATOM 1581 O VAL A 100 13.224 8.654 2.676 1.00 0.00 O ATOM 1582 CB VAL A 100 13.481 10.421 -0.079 1.00 0.00 C ATOM 1583 CG1 VAL A 100 12.159 10.908 -0.647 1.00 0.00 C ATOM 1584 CG2 VAL A 100 13.908 11.264 1.114 1.00 0.00 C ATOM 0 H VAL A 100 11.981 8.459 -1.174 1.00 0.00 H new ATOM 0 HA VAL A 100 14.430 8.556 0.467 1.00 0.00 H new ATOM 0 HB VAL A 100 14.236 10.535 -0.857 1.00 0.00 H new ATOM 0 HG11 VAL A 100 12.238 11.966 -0.896 1.00 0.00 H new ATOM 0 HG12 VAL A 100 11.918 10.340 -1.546 1.00 0.00 H new ATOM 0 HG13 VAL A 100 11.371 10.768 0.093 1.00 0.00 H new ATOM 0 HG21 VAL A 100 13.943 12.314 0.824 1.00 0.00 H new ATOM 0 HG22 VAL A 100 13.191 11.136 1.925 1.00 0.00 H new ATOM 0 HG23 VAL A 100 14.896 10.947 1.449 1.00 0.00 H new ATOM 1594 N LEU A 101 11.311 8.662 1.485 1.00 0.00 N ATOM 1595 CA LEU A 101 10.424 8.506 2.646 1.00 0.00 C ATOM 1596 C LEU A 101 10.575 7.143 3.348 1.00 0.00 C ATOM 1597 O LEU A 101 10.947 7.080 4.516 1.00 0.00 O ATOM 1598 CB LEU A 101 8.966 8.691 2.203 1.00 0.00 C ATOM 1599 CG LEU A 101 8.022 9.286 3.251 1.00 0.00 C ATOM 1600 CD1 LEU A 101 8.003 8.419 4.498 1.00 0.00 C ATOM 1601 CD2 LEU A 101 8.433 10.708 3.598 1.00 0.00 C ATOM 0 H LEU A 101 10.819 8.718 0.593 1.00 0.00 H new ATOM 0 HA LEU A 101 10.712 9.269 3.369 1.00 0.00 H new ATOM 0 HB2 LEU A 101 8.952 9.333 1.323 1.00 0.00 H new ATOM 0 HB3 LEU A 101 8.573 7.722 1.896 1.00 0.00 H new ATOM 0 HG LEU A 101 7.016 9.314 2.832 1.00 0.00 H new ATOM 0 HD11 LEU A 101 7.327 8.855 5.234 1.00 0.00 H new ATOM 0 HD12 LEU A 101 7.660 7.417 4.239 1.00 0.00 H new ATOM 0 HD13 LEU A 101 9.008 8.362 4.917 1.00 0.00 H new ATOM 0 HD21 LEU A 101 7.749 11.112 4.344 1.00 0.00 H new ATOM 0 HD22 LEU A 101 9.447 10.706 3.998 1.00 0.00 H new ATOM 0 HD23 LEU A 101 8.398 11.326 2.701 1.00 0.00 H new ATOM 1613 N PHE A 102 10.238 6.069 2.632 1.00 0.00 N ATOM 1614 CA PHE A 102 10.277 4.695 3.165 1.00 0.00 C ATOM 1615 C PHE A 102 11.677 4.212 3.627 1.00 0.00 C ATOM 1616 O PHE A 102 11.770 3.401 4.545 1.00 0.00 O ATOM 1617 CB PHE A 102 9.733 3.727 2.106 1.00 0.00 C ATOM 1618 CG PHE A 102 8.250 3.856 1.826 1.00 0.00 C ATOM 1619 CD1 PHE A 102 7.551 4.982 2.227 1.00 0.00 C ATOM 1620 CD2 PHE A 102 7.555 2.850 1.156 1.00 0.00 C ATOM 1621 CE1 PHE A 102 6.202 5.108 1.968 1.00 0.00 C ATOM 1622 CE2 PHE A 102 6.201 2.975 0.898 1.00 0.00 C ATOM 1623 CZ PHE A 102 5.526 4.105 1.304 1.00 0.00 C ATOM 0 H PHE A 102 9.928 6.122 1.662 1.00 0.00 H new ATOM 0 HA PHE A 102 9.657 4.707 4.061 1.00 0.00 H new ATOM 0 HB2 PHE A 102 10.279 3.885 1.176 1.00 0.00 H new ATOM 0 HB3 PHE A 102 9.940 2.706 2.427 1.00 0.00 H new ATOM 0 HD1 PHE A 102 8.069 5.772 2.750 1.00 0.00 H new ATOM 0 HD2 PHE A 102 8.080 1.962 0.834 1.00 0.00 H new ATOM 0 HE1 PHE A 102 5.673 5.994 2.286 1.00 0.00 H new ATOM 0 HE2 PHE A 102 5.674 2.188 0.379 1.00 0.00 H new ATOM 0 HZ PHE A 102 4.470 4.206 1.103 1.00 0.00 H new ATOM 1633 N PRO A 103 12.776 4.659 2.983 1.00 0.00 N ATOM 1634 CA PRO A 103 14.155 4.234 3.320 1.00 0.00 C ATOM 1635 C PRO A 103 14.463 4.128 4.815 1.00 0.00 C ATOM 1636 O PRO A 103 15.206 3.236 5.228 1.00 0.00 O ATOM 1637 CB PRO A 103 14.997 5.340 2.705 1.00 0.00 C ATOM 1638 CG PRO A 103 14.223 5.782 1.517 1.00 0.00 C ATOM 1639 CD PRO A 103 12.769 5.588 1.844 1.00 0.00 C ATOM 0 HA PRO A 103 14.342 3.225 2.952 1.00 0.00 H new ATOM 0 HB2 PRO A 103 15.149 6.160 3.407 1.00 0.00 H new ATOM 0 HB3 PRO A 103 15.985 4.976 2.422 1.00 0.00 H new ATOM 0 HG2 PRO A 103 14.431 6.827 1.288 1.00 0.00 H new ATOM 0 HG3 PRO A 103 14.501 5.202 0.637 1.00 0.00 H new ATOM 0 HD2 PRO A 103 12.290 6.532 2.103 1.00 0.00 H new ATOM 0 HD3 PRO A 103 12.222 5.175 0.997 1.00 0.00 H new ATOM 1647 N GLN A 104 13.917 5.040 5.617 1.00 0.00 N ATOM 1648 CA GLN A 104 14.169 5.038 7.069 1.00 0.00 C ATOM 1649 C GLN A 104 13.927 3.659 7.690 1.00 0.00 C ATOM 1650 O GLN A 104 14.485 3.341 8.740 1.00 0.00 O ATOM 1651 CB GLN A 104 13.294 6.058 7.813 1.00 0.00 C ATOM 1652 CG GLN A 104 12.497 6.982 6.923 1.00 0.00 C ATOM 1653 CD GLN A 104 11.530 7.848 7.706 1.00 0.00 C ATOM 1654 OE1 GLN A 104 11.941 8.680 8.515 1.00 0.00 O ATOM 1655 NE2 GLN A 104 10.235 7.654 7.476 1.00 0.00 N ATOM 0 H GLN A 104 13.301 5.787 5.296 1.00 0.00 H new ATOM 0 HA GLN A 104 15.218 5.312 7.180 1.00 0.00 H new ATOM 0 HB2 GLN A 104 12.604 5.518 8.462 1.00 0.00 H new ATOM 0 HB3 GLN A 104 13.933 6.661 8.458 1.00 0.00 H new ATOM 0 HG2 GLN A 104 13.180 7.620 6.363 1.00 0.00 H new ATOM 0 HG3 GLN A 104 11.943 6.391 6.194 1.00 0.00 H new ATOM 0 HE21 GLN A 104 9.937 6.954 6.797 1.00 0.00 H new ATOM 0 HE22 GLN A 104 9.540 8.205 7.979 1.00 0.00 H new ATOM 1664 N LYS A 105 13.056 2.868 7.065 1.00 0.00 N ATOM 1665 CA LYS A 105 12.698 1.556 7.585 1.00 0.00 C ATOM 1666 C LYS A 105 12.978 0.422 6.593 1.00 0.00 C ATOM 1667 O LYS A 105 12.741 -0.742 6.921 1.00 0.00 O ATOM 1668 CB LYS A 105 11.202 1.530 7.931 1.00 0.00 C ATOM 1669 CG LYS A 105 10.687 2.728 8.720 1.00 0.00 C ATOM 1670 CD LYS A 105 10.772 4.029 7.946 1.00 0.00 C ATOM 1671 CE LYS A 105 10.055 3.941 6.616 1.00 0.00 C ATOM 1672 NZ LYS A 105 8.585 3.883 6.789 1.00 0.00 N ATOM 0 H LYS A 105 12.586 3.117 6.195 1.00 0.00 H new ATOM 0 HA LYS A 105 13.316 1.393 8.468 1.00 0.00 H new ATOM 0 HB2 LYS A 105 10.634 1.457 7.003 1.00 0.00 H new ATOM 0 HB3 LYS A 105 10.995 0.625 8.503 1.00 0.00 H new ATOM 0 HG2 LYS A 105 9.651 2.549 9.006 1.00 0.00 H new ATOM 0 HG3 LYS A 105 11.260 2.822 9.642 1.00 0.00 H new ATOM 0 HD2 LYS A 105 10.339 4.834 8.540 1.00 0.00 H new ATOM 0 HD3 LYS A 105 11.818 4.284 7.778 1.00 0.00 H new ATOM 0 HE2 LYS A 105 10.316 4.805 6.004 1.00 0.00 H new ATOM 0 HE3 LYS A 105 10.393 3.055 6.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 8.134 3.704 5.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 8.343 3.116 7.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 8.244 4.788 7.171 1.00 0.00 H new ATOM 1686 N ASN A 106 13.441 0.753 5.378 1.00 0.00 N ATOM 1687 CA ASN A 106 13.693 -0.262 4.352 1.00 0.00 C ATOM 1688 C ASN A 106 12.352 -0.850 3.917 1.00 0.00 C ATOM 1689 O ASN A 106 11.711 -1.590 4.664 1.00 0.00 O ATOM 1690 CB ASN A 106 14.643 -1.344 4.876 1.00 0.00 C ATOM 1691 CG ASN A 106 14.872 -2.482 3.895 1.00 0.00 C ATOM 1692 OD1 ASN A 106 13.993 -2.841 3.112 1.00 0.00 O ATOM 1693 ND2 ASN A 106 16.063 -3.064 3.942 1.00 0.00 N ATOM 0 H ASN A 106 13.646 1.709 5.086 1.00 0.00 H new ATOM 0 HA ASN A 106 14.182 0.191 3.490 1.00 0.00 H new ATOM 0 HB2 ASN A 106 15.602 -0.887 5.119 1.00 0.00 H new ATOM 0 HB3 ASN A 106 14.240 -1.751 5.803 1.00 0.00 H new ATOM 0 HD21 ASN A 106 16.277 -3.839 3.314 1.00 0.00 H new ATOM 0 HD22 ASN A 106 16.765 -2.737 4.606 1.00 0.00 H new ATOM 1700 N VAL A 107 11.909 -0.455 2.731 1.00 0.00 N ATOM 1701 CA VAL A 107 10.613 -0.871 2.210 1.00 0.00 C ATOM 1702 C VAL A 107 10.691 -1.711 0.946 1.00 0.00 C ATOM 1703 O VAL A 107 11.563 -1.529 0.095 1.00 0.00 O ATOM 1704 CB VAL A 107 9.740 0.349 1.904 1.00 0.00 C ATOM 1705 CG1 VAL A 107 10.244 1.047 0.646 1.00 0.00 C ATOM 1706 CG2 VAL A 107 8.280 -0.062 1.764 1.00 0.00 C ATOM 0 H VAL A 107 12.433 0.158 2.107 1.00 0.00 H new ATOM 0 HA VAL A 107 10.181 -1.489 2.997 1.00 0.00 H new ATOM 0 HB VAL A 107 9.807 1.053 2.733 1.00 0.00 H new ATOM 0 HG11 VAL A 107 9.618 1.914 0.435 1.00 0.00 H new ATOM 0 HG12 VAL A 107 11.273 1.371 0.798 1.00 0.00 H new ATOM 0 HG13 VAL A 107 10.202 0.355 -0.196 1.00 0.00 H new ATOM 0 HG21 VAL A 107 7.674 0.817 1.547 1.00 0.00 H new ATOM 0 HG22 VAL A 107 8.181 -0.781 0.951 1.00 0.00 H new ATOM 0 HG23 VAL A 107 7.939 -0.517 2.694 1.00 0.00 H new ATOM 1716 N ARG A 108 9.709 -2.588 0.827 1.00 0.00 N ATOM 1717 CA ARG A 108 9.542 -3.438 -0.326 1.00 0.00 C ATOM 1718 C ARG A 108 8.157 -3.160 -0.882 1.00 0.00 C ATOM 1719 O ARG A 108 7.164 -3.731 -0.428 1.00 0.00 O ATOM 1720 CB ARG A 108 9.708 -4.915 0.048 1.00 0.00 C ATOM 1721 CG ARG A 108 10.598 -5.698 -0.905 1.00 0.00 C ATOM 1722 CD ARG A 108 12.010 -5.130 -0.970 1.00 0.00 C ATOM 1723 NE ARG A 108 12.618 -4.981 0.353 1.00 0.00 N ATOM 1724 CZ ARG A 108 13.023 -6.002 1.114 1.00 0.00 C ATOM 1725 NH1 ARG A 108 12.879 -7.258 0.697 1.00 0.00 N ATOM 1726 NH2 ARG A 108 13.582 -5.766 2.297 1.00 0.00 N ATOM 0 H ARG A 108 8.997 -2.727 1.544 1.00 0.00 H new ATOM 0 HA ARG A 108 10.304 -3.226 -1.076 1.00 0.00 H new ATOM 0 HB2 ARG A 108 10.124 -4.980 1.053 1.00 0.00 H new ATOM 0 HB3 ARG A 108 8.725 -5.384 0.079 1.00 0.00 H new ATOM 0 HG2 ARG A 108 10.641 -6.739 -0.586 1.00 0.00 H new ATOM 0 HG3 ARG A 108 10.158 -5.688 -1.902 1.00 0.00 H new ATOM 0 HD2 ARG A 108 12.633 -5.784 -1.581 1.00 0.00 H new ATOM 0 HD3 ARG A 108 11.985 -4.160 -1.466 1.00 0.00 H new ATOM 0 HE ARG A 108 12.741 -4.036 0.718 1.00 0.00 H new ATOM 0 HH11 ARG A 108 12.456 -7.448 -0.211 1.00 0.00 H new ATOM 0 HH12 ARG A 108 13.192 -8.030 1.286 1.00 0.00 H new ATOM 0 HH21 ARG A 108 13.701 -4.807 2.622 1.00 0.00 H new ATOM 0 HH22 ARG A 108 13.892 -6.544 2.879 1.00 0.00 H new ATOM 1740 N PHE A 109 8.087 -2.234 -1.834 1.00 0.00 N ATOM 1741 CA PHE A 109 6.811 -1.839 -2.402 1.00 0.00 C ATOM 1742 C PHE A 109 6.339 -2.853 -3.435 1.00 0.00 C ATOM 1743 O PHE A 109 7.145 -3.421 -4.174 1.00 0.00 O ATOM 1744 CB PHE A 109 6.912 -0.466 -3.056 1.00 0.00 C ATOM 1745 CG PHE A 109 5.651 0.336 -2.936 1.00 0.00 C ATOM 1746 CD1 PHE A 109 4.548 0.035 -3.718 1.00 0.00 C ATOM 1747 CD2 PHE A 109 5.571 1.391 -2.047 1.00 0.00 C ATOM 1748 CE1 PHE A 109 3.386 0.772 -3.616 1.00 0.00 C ATOM 1749 CE2 PHE A 109 4.414 2.139 -1.939 1.00 0.00 C ATOM 1750 CZ PHE A 109 3.318 1.828 -2.725 1.00 0.00 C ATOM 0 H PHE A 109 8.895 -1.749 -2.223 1.00 0.00 H new ATOM 0 HA PHE A 109 6.088 -1.797 -1.587 1.00 0.00 H new ATOM 0 HB2 PHE A 109 7.733 0.088 -2.600 1.00 0.00 H new ATOM 0 HB3 PHE A 109 7.158 -0.590 -4.111 1.00 0.00 H new ATOM 0 HD1 PHE A 109 4.598 -0.787 -4.417 1.00 0.00 H new ATOM 0 HD2 PHE A 109 6.423 1.634 -1.429 1.00 0.00 H new ATOM 0 HE1 PHE A 109 2.532 0.525 -4.230 1.00 0.00 H new ATOM 0 HE2 PHE A 109 4.365 2.964 -1.243 1.00 0.00 H new ATOM 0 HZ PHE A 109 2.411 2.409 -2.643 1.00 0.00 H new ATOM 1760 N LEU A 110 5.031 -3.084 -3.475 1.00 0.00 N ATOM 1761 CA LEU A 110 4.462 -4.040 -4.409 1.00 0.00 C ATOM 1762 C LEU A 110 3.240 -3.477 -5.125 1.00 0.00 C ATOM 1763 O LEU A 110 2.283 -3.017 -4.502 1.00 0.00 O ATOM 1764 CB LEU A 110 4.114 -5.341 -3.674 1.00 0.00 C ATOM 1765 CG LEU A 110 3.204 -6.330 -4.416 1.00 0.00 C ATOM 1766 CD1 LEU A 110 1.745 -5.930 -4.282 1.00 0.00 C ATOM 1767 CD2 LEU A 110 3.603 -6.451 -5.881 1.00 0.00 C ATOM 0 H LEU A 110 4.350 -2.622 -2.872 1.00 0.00 H new ATOM 0 HA LEU A 110 5.209 -4.251 -5.174 1.00 0.00 H new ATOM 0 HB2 LEU A 110 5.045 -5.853 -3.429 1.00 0.00 H new ATOM 0 HB3 LEU A 110 3.635 -5.081 -2.730 1.00 0.00 H new ATOM 0 HG LEU A 110 3.329 -7.309 -3.954 1.00 0.00 H new ATOM 0 HD11 LEU A 110 1.121 -6.646 -4.816 1.00 0.00 H new ATOM 0 HD12 LEU A 110 1.466 -5.920 -3.228 1.00 0.00 H new ATOM 0 HD13 LEU A 110 1.600 -4.936 -4.705 1.00 0.00 H new ATOM 0 HD21 LEU A 110 2.941 -7.158 -6.381 1.00 0.00 H new ATOM 0 HD22 LEU A 110 3.522 -5.476 -6.362 1.00 0.00 H new ATOM 0 HD23 LEU A 110 4.631 -6.806 -5.950 1.00 0.00 H new ATOM 1779 N ALA A 111 3.290 -3.561 -6.447 1.00 0.00 N ATOM 1780 CA ALA A 111 2.207 -3.121 -7.314 1.00 0.00 C ATOM 1781 C ALA A 111 1.810 -4.299 -8.191 1.00 0.00 C ATOM 1782 O ALA A 111 2.490 -4.619 -9.165 1.00 0.00 O ATOM 1783 CB ALA A 111 2.630 -1.916 -8.139 1.00 0.00 C ATOM 0 H ALA A 111 4.091 -3.940 -6.952 1.00 0.00 H new ATOM 0 HA ALA A 111 1.348 -2.801 -6.724 1.00 0.00 H new ATOM 0 HB1 ALA A 111 1.804 -1.605 -8.779 1.00 0.00 H new ATOM 0 HB2 ALA A 111 2.901 -1.097 -7.473 1.00 0.00 H new ATOM 0 HB3 ALA A 111 3.488 -2.181 -8.757 1.00 0.00 H new ATOM 1789 N ILE A 112 0.758 -4.992 -7.782 1.00 0.00 N ATOM 1790 CA ILE A 112 0.316 -6.208 -8.474 1.00 0.00 C ATOM 1791 C ILE A 112 -0.149 -6.008 -9.929 1.00 0.00 C ATOM 1792 O ILE A 112 0.057 -6.893 -10.760 1.00 0.00 O ATOM 1793 CB ILE A 112 -0.796 -6.917 -7.667 1.00 0.00 C ATOM 1794 CG1 ILE A 112 -0.202 -7.540 -6.403 1.00 0.00 C ATOM 1795 CG2 ILE A 112 -1.488 -7.981 -8.507 1.00 0.00 C ATOM 1796 CD1 ILE A 112 -1.129 -7.503 -5.211 1.00 0.00 C ATOM 0 H ILE A 112 0.189 -4.738 -6.974 1.00 0.00 H new ATOM 0 HA ILE A 112 1.210 -6.829 -8.535 1.00 0.00 H new ATOM 0 HB ILE A 112 -1.543 -6.176 -7.384 1.00 0.00 H new ATOM 0 HG12 ILE A 112 0.066 -8.576 -6.611 1.00 0.00 H new ATOM 0 HG13 ILE A 112 0.720 -7.017 -6.150 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -2.265 -8.464 -7.915 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -1.937 -7.516 -9.385 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -0.758 -8.726 -8.824 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -0.638 -7.963 -4.354 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -1.377 -6.468 -4.975 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -2.042 -8.051 -5.443 1.00 0.00 H new ATOM 1808 N ASN A 113 -0.804 -4.891 -10.237 1.00 0.00 N ATOM 1809 CA ASN A 113 -1.317 -4.665 -11.593 1.00 0.00 C ATOM 1810 C ASN A 113 -0.436 -3.735 -12.436 1.00 0.00 C ATOM 1811 O ASN A 113 -0.951 -2.967 -13.250 1.00 0.00 O ATOM 1812 CB ASN A 113 -2.750 -4.126 -11.524 1.00 0.00 C ATOM 1813 CG ASN A 113 -3.780 -5.187 -11.862 1.00 0.00 C ATOM 1814 OD1 ASN A 113 -3.767 -6.280 -11.298 1.00 0.00 O ATOM 1815 ND2 ASN A 113 -4.682 -4.870 -12.784 1.00 0.00 N ATOM 0 H ASN A 113 -0.992 -4.135 -9.578 1.00 0.00 H new ATOM 0 HA ASN A 113 -1.304 -5.631 -12.097 1.00 0.00 H new ATOM 0 HB2 ASN A 113 -2.943 -3.741 -10.523 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -2.855 -3.288 -12.214 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -5.400 -5.545 -13.049 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -4.657 -3.952 -13.227 1.00 0.00 H new ATOM 1822 N ASN A 114 0.888 -3.821 -12.264 1.00 0.00 N ATOM 1823 CA ASN A 114 1.824 -2.995 -13.041 1.00 0.00 C ATOM 1824 C ASN A 114 3.241 -3.072 -12.479 1.00 0.00 C ATOM 1825 O ASN A 114 3.449 -3.488 -11.339 1.00 0.00 O ATOM 1826 CB ASN A 114 1.370 -1.531 -13.085 1.00 0.00 C ATOM 1827 CG ASN A 114 1.013 -1.071 -14.491 1.00 0.00 C ATOM 1828 OD1 ASN A 114 0.771 -1.884 -15.384 1.00 0.00 O ATOM 1829 ND2 ASN A 114 0.977 0.241 -14.695 1.00 0.00 N ATOM 0 H ASN A 114 1.335 -4.450 -11.598 1.00 0.00 H new ATOM 0 HA ASN A 114 1.829 -3.395 -14.055 1.00 0.00 H new ATOM 0 HB2 ASN A 114 0.505 -1.403 -12.434 1.00 0.00 H new ATOM 0 HB3 ASN A 114 2.163 -0.896 -12.689 1.00 0.00 H new ATOM 0 HD21 ASN A 114 0.742 0.607 -15.618 1.00 0.00 H new ATOM 0 HD22 ASN A 114 1.184 0.882 -13.929 1.00 0.00 H new ATOM 1836 N SER A 115 4.213 -2.656 -13.291 1.00 0.00 N ATOM 1837 CA SER A 115 5.615 -2.664 -12.884 1.00 0.00 C ATOM 1838 C SER A 115 5.864 -1.601 -11.814 1.00 0.00 C ATOM 1839 O SER A 115 5.911 -0.406 -12.113 1.00 0.00 O ATOM 1840 CB SER A 115 6.527 -2.425 -14.091 1.00 0.00 C ATOM 1841 OG SER A 115 6.191 -3.287 -15.166 1.00 0.00 O ATOM 0 H SER A 115 4.053 -2.309 -14.237 1.00 0.00 H new ATOM 0 HA SER A 115 5.846 -3.643 -12.465 1.00 0.00 H new ATOM 0 HB2 SER A 115 6.443 -1.387 -14.414 1.00 0.00 H new ATOM 0 HB3 SER A 115 7.566 -2.586 -13.803 1.00 0.00 H new ATOM 0 HG SER A 115 6.787 -3.112 -15.924 1.00 0.00 H new ATOM 1847 N ILE A 116 6.010 -2.046 -10.565 1.00 0.00 N ATOM 1848 CA ILE A 116 6.240 -1.138 -9.442 1.00 0.00 C ATOM 1849 C ILE A 116 7.496 -0.289 -9.644 1.00 0.00 C ATOM 1850 O ILE A 116 7.497 0.905 -9.350 1.00 0.00 O ATOM 1851 CB ILE A 116 6.339 -1.910 -8.100 1.00 0.00 C ATOM 1852 CG1 ILE A 116 5.650 -1.118 -6.982 1.00 0.00 C ATOM 1853 CG2 ILE A 116 7.791 -2.205 -7.734 1.00 0.00 C ATOM 1854 CD1 ILE A 116 6.373 0.156 -6.598 1.00 0.00 C ATOM 0 H ILE A 116 5.973 -3.032 -10.306 1.00 0.00 H new ATOM 0 HA ILE A 116 5.379 -0.471 -9.401 1.00 0.00 H new ATOM 0 HB ILE A 116 5.829 -2.866 -8.221 1.00 0.00 H new ATOM 0 HG12 ILE A 116 4.637 -0.868 -7.298 1.00 0.00 H new ATOM 0 HG13 ILE A 116 5.562 -1.754 -6.101 1.00 0.00 H new ATOM 0 HG21 ILE A 116 7.825 -2.747 -6.789 1.00 0.00 H new ATOM 0 HG22 ILE A 116 8.247 -2.811 -8.516 1.00 0.00 H new ATOM 0 HG23 ILE A 116 8.339 -1.268 -7.635 1.00 0.00 H new ATOM 0 HD11 ILE A 116 5.825 0.660 -5.802 1.00 0.00 H new ATOM 0 HD12 ILE A 116 7.377 -0.086 -6.250 1.00 0.00 H new ATOM 0 HD13 ILE A 116 6.438 0.813 -7.465 1.00 0.00 H new ATOM 1866 N ASP A 117 8.562 -0.916 -10.135 1.00 0.00 N ATOM 1867 CA ASP A 117 9.827 -0.227 -10.364 1.00 0.00 C ATOM 1868 C ASP A 117 10.806 -1.135 -11.098 1.00 0.00 C ATOM 1869 O ASP A 117 11.354 -0.760 -12.136 1.00 0.00 O ATOM 1870 CB ASP A 117 10.435 0.219 -9.029 1.00 0.00 C ATOM 1871 CG ASP A 117 10.588 1.723 -8.932 1.00 0.00 C ATOM 1872 OD1 ASP A 117 11.378 2.288 -9.714 1.00 0.00 O ATOM 1873 OD2 ASP A 117 9.921 2.335 -8.071 1.00 0.00 O ATOM 0 H ASP A 117 8.573 -1.905 -10.383 1.00 0.00 H new ATOM 0 HA ASP A 117 9.633 0.651 -10.980 1.00 0.00 H new ATOM 0 HB2 ASP A 117 9.805 -0.132 -8.212 1.00 0.00 H new ATOM 0 HB3 ASP A 117 11.411 -0.251 -8.903 1.00 0.00 H new ATOM 1878 N SER A 118 11.022 -2.333 -10.546 1.00 0.00 N ATOM 1879 CA SER A 118 11.939 -3.301 -11.139 1.00 0.00 C ATOM 1880 C SER A 118 11.927 -4.624 -10.373 1.00 0.00 C ATOM 1881 O SER A 118 11.499 -4.682 -9.219 1.00 0.00 O ATOM 1882 CB SER A 118 13.356 -2.729 -11.155 1.00 0.00 C ATOM 1883 OG SER A 118 13.722 -2.301 -12.455 1.00 0.00 O ATOM 0 H SER A 118 10.572 -2.652 -9.688 1.00 0.00 H new ATOM 0 HA SER A 118 11.608 -3.497 -12.159 1.00 0.00 H new ATOM 0 HB2 SER A 118 13.420 -1.890 -10.462 1.00 0.00 H new ATOM 0 HB3 SER A 118 14.060 -3.485 -10.807 1.00 0.00 H new ATOM 0 HG SER A 118 13.064 -1.653 -12.783 1.00 0.00 H new ATOM 1889 N ASN A 119 12.409 -5.682 -11.026 1.00 0.00 N ATOM 1890 CA ASN A 119 12.469 -7.009 -10.416 1.00 0.00 C ATOM 1891 C ASN A 119 13.463 -7.904 -11.143 1.00 0.00 C ATOM 1892 O ASN A 119 14.450 -8.357 -10.562 1.00 0.00 O ATOM 1893 CB ASN A 119 11.090 -7.668 -10.423 1.00 0.00 C ATOM 1894 CG ASN A 119 10.731 -8.252 -9.079 1.00 0.00 C ATOM 1895 OD1 ASN A 119 10.727 -9.467 -8.896 1.00 0.00 O ATOM 1896 ND2 ASN A 119 10.430 -7.381 -8.127 1.00 0.00 N ATOM 0 H ASN A 119 12.765 -5.644 -11.981 1.00 0.00 H new ATOM 0 HA ASN A 119 12.802 -6.882 -9.386 1.00 0.00 H new ATOM 0 HB2 ASN A 119 10.339 -6.932 -10.710 1.00 0.00 H new ATOM 0 HB3 ASN A 119 11.069 -8.455 -11.177 1.00 0.00 H new ATOM 0 HD21 ASN A 119 10.181 -7.711 -7.194 1.00 0.00 H new ATOM 0 HD22 ASN A 119 10.447 -6.381 -8.327 1.00 0.00 H new ATOM 1903 N ASN A 120 13.180 -8.160 -12.415 1.00 0.00 N ATOM 1904 CA ASN A 120 14.025 -9.010 -13.242 1.00 0.00 C ATOM 1905 C ASN A 120 15.280 -8.268 -13.690 1.00 0.00 C ATOM 1906 O ASN A 120 15.145 -7.249 -14.401 1.00 0.00 O ATOM 1907 CB ASN A 120 13.242 -9.503 -14.462 1.00 0.00 C ATOM 1908 CG ASN A 120 12.065 -10.384 -14.083 1.00 0.00 C ATOM 1909 OD1 ASN A 120 11.190 -9.974 -13.320 1.00 0.00 O ATOM 1910 ND2 ASN A 120 12.033 -11.600 -14.617 1.00 0.00 N ATOM 1911 OXT ASN A 120 16.387 -8.712 -13.326 1.00 0.00 O ATOM 0 H ASN A 120 12.363 -7.786 -12.899 1.00 0.00 H new ATOM 0 HA ASN A 120 14.333 -9.867 -12.643 1.00 0.00 H new ATOM 0 HB2 ASN A 120 12.881 -8.645 -15.029 1.00 0.00 H new ATOM 0 HB3 ASN A 120 13.911 -10.059 -15.118 1.00 0.00 H new ATOM 0 HD21 ASN A 120 11.263 -12.233 -14.399 1.00 0.00 H new ATOM 0 HD22 ASN A 120 12.778 -11.901 -15.245 1.00 0.00 H new TER 1918 ASN A 120