USER MOD reduce.3.24.130724 H: found=0, std=0, add=781, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 778 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 38 THR OG1 : rot -160:sc= 0.0585 USER MOD Set 1.2: A 41 ASN : amide:sc= 0.104 K(o=0.16,f=-0.57) USER MOD Single : A 1 SER N :NH3+ 148:sc= 0.0445 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0.0423 USER MOD Single : A 2 ASN : amide:sc= -0.0622 K(o=-0.062,f=-1.8!) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 ASN : amide:sc= -1.2 K(o=-1.2,f=0) USER MOD Single : A 16 HIS : no HD1:sc= 1.05 K(o=1.1,f=-6.2!) USER MOD Single : A 20 THR OG1 : rot 42:sc= 0.00308 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 26 GLN : amide:sc= -0.145 K(o=-0.15,f=-1.4) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -6.58! C(o=-6.6!,f=-3.2!) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -175:sc= 0.827 (180deg=0.694) USER MOD Single : A 52 THR OG1 : rot -107:sc= 1.86 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 HIS : no HD1:sc= 0.898 K(o=0.9,f=-5.6!) USER MOD Single : A 59 LYS NZ :NH3+ 171:sc= 1.26 (180deg=1.2) USER MOD Single : A 62 LYS NZ :NH3+ -164:sc= 0.702 (180deg=0.545) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= 0.0647 K(o=0.065,f=-3.2!) USER MOD Single : A 75 MET CE :methyl 172:sc= -1.42 (180deg=-1.71) USER MOD Single : A 78 LYS NZ :NH3+ -129:sc= -0.539 (180deg=-0.655) USER MOD Single : A 80 SER OG : rot 50:sc= 0.06 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -1.262 18.546 -4.516 1.00 0.00 N ATOM 2 CA SER A 1 -1.177 17.273 -3.777 1.00 0.00 C ATOM 3 C SER A 1 -1.996 17.344 -2.493 1.00 0.00 C ATOM 4 O SER A 1 -1.465 17.635 -1.421 1.00 0.00 O ATOM 5 CB SER A 1 0.288 16.969 -3.456 1.00 0.00 C ATOM 6 OG SER A 1 1.085 17.027 -4.632 1.00 0.00 O ATOM 0 H1 SER A 1 -0.371 18.712 -5.026 1.00 0.00 H new ATOM 0 H2 SER A 1 -2.047 18.500 -5.197 1.00 0.00 H new ATOM 0 H3 SER A 1 -1.428 19.325 -3.847 1.00 0.00 H new ATOM 0 HA SER A 1 -1.584 16.474 -4.396 1.00 0.00 H new ATOM 0 HB2 SER A 1 0.660 17.685 -2.723 1.00 0.00 H new ATOM 0 HB3 SER A 1 0.369 15.980 -3.005 1.00 0.00 H new ATOM 0 HG SER A 1 2.018 16.831 -4.405 1.00 0.00 H new ATOM 11 N ASN A 2 -3.292 17.085 -2.603 1.00 0.00 N ATOM 12 CA ASN A 2 -4.170 17.117 -1.439 1.00 0.00 C ATOM 13 C ASN A 2 -4.141 15.776 -0.727 1.00 0.00 C ATOM 14 O ASN A 2 -3.974 14.730 -1.363 1.00 0.00 O ATOM 15 CB ASN A 2 -5.614 17.455 -1.829 1.00 0.00 C ATOM 16 CG ASN A 2 -5.784 18.870 -2.356 1.00 0.00 C ATOM 17 OD1 ASN A 2 -4.917 19.408 -3.049 1.00 0.00 O ATOM 18 ND2 ASN A 2 -6.904 19.493 -2.022 1.00 0.00 N ATOM 0 H ASN A 2 -3.757 16.852 -3.480 1.00 0.00 H new ATOM 0 HA ASN A 2 -3.804 17.898 -0.773 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -5.951 16.750 -2.589 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -6.258 17.320 -0.960 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -7.071 20.448 -2.340 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -7.600 19.018 -1.447 1.00 0.00 H new ATOM 25 N THR A 3 -4.299 15.811 0.590 1.00 0.00 N ATOM 26 CA THR A 3 -4.306 14.604 1.392 1.00 0.00 C ATOM 27 C THR A 3 -5.500 13.730 1.036 1.00 0.00 C ATOM 28 O THR A 3 -6.647 14.181 1.049 1.00 0.00 O ATOM 29 CB THR A 3 -4.347 14.931 2.896 1.00 0.00 C ATOM 30 OG1 THR A 3 -3.313 15.869 3.223 1.00 0.00 O ATOM 31 CG2 THR A 3 -4.166 13.672 3.733 1.00 0.00 C ATOM 0 H THR A 3 -4.425 16.671 1.124 1.00 0.00 H new ATOM 0 HA THR A 3 -3.384 14.065 1.175 1.00 0.00 H new ATOM 0 HB THR A 3 -5.322 15.364 3.120 1.00 0.00 H new ATOM 0 HG1 THR A 3 -3.347 16.073 4.181 1.00 0.00 H new ATOM 0 HG21 THR A 3 -4.199 13.931 4.791 1.00 0.00 H new ATOM 0 HG22 THR A 3 -4.966 12.967 3.507 1.00 0.00 H new ATOM 0 HG23 THR A 3 -3.204 13.216 3.501 1.00 0.00 H new ATOM 39 N ARG A 4 -5.217 12.484 0.722 1.00 0.00 N ATOM 40 CA ARG A 4 -6.239 11.543 0.340 1.00 0.00 C ATOM 41 C ARG A 4 -6.739 10.760 1.538 1.00 0.00 C ATOM 42 O ARG A 4 -5.978 10.315 2.399 1.00 0.00 O ATOM 43 CB ARG A 4 -5.703 10.589 -0.726 1.00 0.00 C ATOM 44 CG ARG A 4 -5.227 11.284 -1.987 1.00 0.00 C ATOM 45 CD ARG A 4 -6.305 12.201 -2.520 1.00 0.00 C ATOM 46 NE ARG A 4 -7.509 11.464 -2.928 1.00 0.00 N ATOM 47 CZ ARG A 4 -8.631 12.044 -3.359 1.00 0.00 C ATOM 48 NH1 ARG A 4 -8.719 13.367 -3.417 1.00 0.00 N ATOM 49 NH2 ARG A 4 -9.667 11.300 -3.731 1.00 0.00 N ATOM 0 H ARG A 4 -4.273 12.099 0.725 1.00 0.00 H new ATOM 0 HA ARG A 4 -7.078 12.104 -0.071 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -4.877 10.016 -0.305 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -6.485 9.876 -0.988 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -4.324 11.857 -1.776 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -4.965 10.543 -2.742 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -6.570 12.931 -1.755 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -5.916 12.759 -3.372 1.00 0.00 H new ATOM 0 HE ARG A 4 -7.486 10.445 -2.879 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -7.928 13.944 -3.132 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -9.578 13.807 -3.747 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -9.606 10.283 -3.688 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -10.523 11.746 -4.060 1.00 0.00 H new ATOM 63 N ASN A 5 -8.041 10.619 1.546 1.00 0.00 N ATOM 64 CA ASN A 5 -8.742 9.983 2.638 1.00 0.00 C ATOM 65 C ASN A 5 -9.236 8.607 2.247 1.00 0.00 C ATOM 66 O ASN A 5 -10.075 8.460 1.355 1.00 0.00 O ATOM 67 CB ASN A 5 -9.901 10.856 3.100 1.00 0.00 C ATOM 68 CG ASN A 5 -9.618 11.521 4.429 1.00 0.00 C ATOM 69 OD1 ASN A 5 -9.932 10.980 5.489 1.00 0.00 O ATOM 70 ND2 ASN A 5 -9.014 12.697 4.379 1.00 0.00 N ATOM 0 H ASN A 5 -8.649 10.943 0.793 1.00 0.00 H new ATOM 0 HA ASN A 5 -8.041 9.862 3.464 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -10.101 11.620 2.348 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -10.802 10.248 3.184 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -8.790 13.193 5.242 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -8.772 13.108 3.477 1.00 0.00 H new ATOM 77 N PHE A 6 -8.716 7.602 2.928 1.00 0.00 N ATOM 78 CA PHE A 6 -9.005 6.225 2.588 1.00 0.00 C ATOM 79 C PHE A 6 -9.438 5.409 3.794 1.00 0.00 C ATOM 80 O PHE A 6 -9.441 5.867 4.939 1.00 0.00 O ATOM 81 CB PHE A 6 -7.793 5.550 1.938 1.00 0.00 C ATOM 82 CG PHE A 6 -7.468 6.069 0.573 1.00 0.00 C ATOM 83 CD1 PHE A 6 -8.061 5.520 -0.551 1.00 0.00 C ATOM 84 CD2 PHE A 6 -6.565 7.101 0.417 1.00 0.00 C ATOM 85 CE1 PHE A 6 -7.754 5.996 -1.810 1.00 0.00 C ATOM 86 CE2 PHE A 6 -6.254 7.579 -0.835 1.00 0.00 C ATOM 87 CZ PHE A 6 -6.849 7.028 -1.953 1.00 0.00 C ATOM 0 H PHE A 6 -8.088 7.717 3.724 1.00 0.00 H new ATOM 0 HA PHE A 6 -9.833 6.256 1.879 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -6.925 5.685 2.583 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -7.978 4.478 1.873 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -8.770 4.712 -0.442 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -6.098 7.538 1.287 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -8.221 5.562 -2.681 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -5.544 8.386 -0.944 1.00 0.00 H new ATOM 0 HZ PHE A 6 -6.607 7.404 -2.936 1.00 0.00 H new ATOM 97 N VAL A 7 -9.753 4.177 3.473 1.00 0.00 N ATOM 98 CA VAL A 7 -10.252 3.198 4.419 1.00 0.00 C ATOM 99 C VAL A 7 -9.770 1.831 3.994 1.00 0.00 C ATOM 100 O VAL A 7 -9.540 1.586 2.825 1.00 0.00 O ATOM 101 CB VAL A 7 -11.803 3.184 4.506 1.00 0.00 C ATOM 102 CG1 VAL A 7 -12.291 2.252 5.602 1.00 0.00 C ATOM 103 CG2 VAL A 7 -12.354 4.567 4.757 1.00 0.00 C ATOM 0 H VAL A 7 -9.669 3.815 2.523 1.00 0.00 H new ATOM 0 HA VAL A 7 -9.875 3.466 5.406 1.00 0.00 H new ATOM 0 HB VAL A 7 -12.164 2.823 3.543 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -13.380 2.267 5.634 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -11.948 1.238 5.397 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -11.895 2.581 6.563 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -13.442 4.521 4.812 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -11.959 4.951 5.698 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -12.060 5.229 3.943 1.00 0.00 H new ATOM 113 N LEU A 8 -9.579 0.965 4.941 1.00 0.00 N ATOM 114 CA LEU A 8 -9.290 -0.415 4.646 1.00 0.00 C ATOM 115 C LEU A 8 -10.605 -1.170 4.737 1.00 0.00 C ATOM 116 O LEU A 8 -11.537 -0.692 5.376 1.00 0.00 O ATOM 117 CB LEU A 8 -8.276 -0.948 5.654 1.00 0.00 C ATOM 118 CG LEU A 8 -7.570 -2.241 5.262 1.00 0.00 C ATOM 119 CD1 LEU A 8 -6.582 -1.988 4.136 1.00 0.00 C ATOM 120 CD2 LEU A 8 -6.862 -2.826 6.466 1.00 0.00 C ATOM 0 H LEU A 8 -9.617 1.187 5.936 1.00 0.00 H new ATOM 0 HA LEU A 8 -8.859 -0.535 3.652 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -7.521 -0.180 5.822 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -8.786 -1.108 6.604 1.00 0.00 H new ATOM 0 HG LEU A 8 -8.314 -2.955 4.909 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -6.087 -2.922 3.869 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -7.112 -1.597 3.268 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -5.836 -1.263 4.462 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -6.360 -3.750 6.179 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -6.126 -2.113 6.837 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -7.590 -3.037 7.249 1.00 0.00 H new ATOM 132 N ARG A 9 -10.728 -2.322 4.117 1.00 0.00 N ATOM 133 CA ARG A 9 -11.948 -3.090 4.233 1.00 0.00 C ATOM 134 C ARG A 9 -11.538 -4.463 4.730 1.00 0.00 C ATOM 135 O ARG A 9 -10.435 -4.910 4.426 1.00 0.00 O ATOM 136 CB ARG A 9 -12.680 -3.212 2.889 1.00 0.00 C ATOM 137 CG ARG A 9 -13.026 -1.878 2.249 1.00 0.00 C ATOM 138 CD ARG A 9 -13.953 -2.048 1.053 1.00 0.00 C ATOM 139 NE ARG A 9 -15.313 -2.421 1.458 1.00 0.00 N ATOM 140 CZ ARG A 9 -16.387 -2.345 0.664 1.00 0.00 C ATOM 141 NH1 ARG A 9 -16.267 -1.958 -0.602 1.00 0.00 N ATOM 142 NH2 ARG A 9 -17.581 -2.670 1.139 1.00 0.00 N ATOM 0 H ARG A 9 -10.007 -2.745 3.533 1.00 0.00 H new ATOM 0 HA ARG A 9 -12.640 -2.597 4.915 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -12.059 -3.784 2.199 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -13.598 -3.781 3.037 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -13.501 -1.233 2.988 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -12.111 -1.379 1.931 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -13.986 -1.118 0.486 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -13.550 -2.813 0.389 1.00 0.00 H new ATOM 0 HE ARG A 9 -15.449 -2.761 2.410 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -15.350 -1.716 -0.976 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -17.092 -1.903 -1.199 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -17.679 -2.977 2.107 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -18.402 -2.613 0.537 1.00 0.00 H new ATOM 156 N ASP A 10 -12.377 -5.111 5.519 1.00 0.00 N ATOM 157 CA ASP A 10 -12.050 -6.436 6.047 1.00 0.00 C ATOM 158 C ASP A 10 -12.061 -7.491 4.932 1.00 0.00 C ATOM 159 O ASP A 10 -12.125 -7.147 3.754 1.00 0.00 O ATOM 160 CB ASP A 10 -13.037 -6.807 7.158 1.00 0.00 C ATOM 161 CG ASP A 10 -12.557 -7.958 8.019 1.00 0.00 C ATOM 162 OD1 ASP A 10 -11.644 -7.748 8.837 1.00 0.00 O ATOM 163 OD2 ASP A 10 -13.090 -9.069 7.872 1.00 0.00 O ATOM 0 H ASP A 10 -13.285 -4.750 5.810 1.00 0.00 H new ATOM 0 HA ASP A 10 -11.043 -6.408 6.463 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -13.208 -5.935 7.790 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -13.996 -7.070 6.711 1.00 0.00 H new ATOM 168 N GLU A 11 -12.031 -8.764 5.308 1.00 0.00 N ATOM 169 CA GLU A 11 -11.892 -9.855 4.343 1.00 0.00 C ATOM 170 C GLU A 11 -13.064 -9.887 3.364 1.00 0.00 C ATOM 171 O GLU A 11 -12.883 -10.131 2.167 1.00 0.00 O ATOM 172 CB GLU A 11 -11.780 -11.195 5.071 1.00 0.00 C ATOM 173 CG GLU A 11 -10.657 -11.243 6.099 1.00 0.00 C ATOM 174 CD GLU A 11 -9.306 -10.866 5.521 1.00 0.00 C ATOM 175 OE1 GLU A 11 -8.722 -11.679 4.780 1.00 0.00 O ATOM 176 OE2 GLU A 11 -8.810 -9.757 5.823 1.00 0.00 O ATOM 0 H GLU A 11 -12.101 -9.070 6.278 1.00 0.00 H new ATOM 0 HA GLU A 11 -10.980 -9.680 3.772 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -12.726 -11.407 5.569 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -11.622 -11.985 4.337 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -10.895 -10.568 6.921 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -10.599 -12.247 6.518 1.00 0.00 H new ATOM 183 N ASP A 12 -14.263 -9.635 3.870 1.00 0.00 N ATOM 184 CA ASP A 12 -15.445 -9.561 3.020 1.00 0.00 C ATOM 185 C ASP A 12 -15.556 -8.171 2.417 1.00 0.00 C ATOM 186 O ASP A 12 -15.940 -8.001 1.258 1.00 0.00 O ATOM 187 CB ASP A 12 -16.710 -9.878 3.823 1.00 0.00 C ATOM 188 CG ASP A 12 -17.989 -9.645 3.037 1.00 0.00 C ATOM 189 OD1 ASP A 12 -18.496 -8.507 3.042 1.00 0.00 O ATOM 190 OD2 ASP A 12 -18.501 -10.606 2.419 1.00 0.00 O ATOM 0 H ASP A 12 -14.444 -9.479 4.862 1.00 0.00 H new ATOM 0 HA ASP A 12 -15.346 -10.298 2.223 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -16.675 -10.918 4.149 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -16.726 -9.262 4.722 1.00 0.00 H new ATOM 195 N GLY A 13 -15.201 -7.183 3.227 1.00 0.00 N ATOM 196 CA GLY A 13 -15.266 -5.822 2.735 1.00 0.00 C ATOM 197 C GLY A 13 -15.952 -4.898 3.712 1.00 0.00 C ATOM 198 O GLY A 13 -16.786 -4.077 3.340 1.00 0.00 O ATOM 0 H GLY A 13 -14.878 -7.293 4.188 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -14.257 -5.459 2.540 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -15.800 -5.805 1.785 1.00 0.00 H new ATOM 202 N ASN A 14 -15.575 -5.036 4.977 1.00 0.00 N ATOM 203 CA ASN A 14 -16.236 -4.286 6.043 1.00 0.00 C ATOM 204 C ASN A 14 -15.584 -2.909 6.164 1.00 0.00 C ATOM 205 O ASN A 14 -15.873 -2.017 5.364 1.00 0.00 O ATOM 206 CB ASN A 14 -16.177 -5.020 7.387 1.00 0.00 C ATOM 207 CG ASN A 14 -17.198 -6.138 7.517 1.00 0.00 C ATOM 208 OD1 ASN A 14 -17.608 -6.488 8.624 1.00 0.00 O ATOM 209 ND2 ASN A 14 -17.627 -6.693 6.394 1.00 0.00 N ATOM 0 H ASN A 14 -14.825 -5.652 5.290 1.00 0.00 H new ATOM 0 HA ASN A 14 -17.289 -4.181 5.783 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -15.178 -5.435 7.521 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -16.334 -4.301 8.191 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -18.322 -7.439 6.427 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -17.262 -6.375 5.496 1.00 0.00 H new ATOM 216 N GLU A 15 -14.656 -2.754 7.117 1.00 0.00 N ATOM 217 CA GLU A 15 -13.941 -1.487 7.280 1.00 0.00 C ATOM 218 C GLU A 15 -12.827 -1.584 8.329 1.00 0.00 C ATOM 219 O GLU A 15 -12.999 -2.205 9.378 1.00 0.00 O ATOM 220 CB GLU A 15 -14.915 -0.375 7.648 1.00 0.00 C ATOM 221 CG GLU A 15 -15.525 -0.555 9.011 1.00 0.00 C ATOM 222 CD GLU A 15 -16.396 0.610 9.424 1.00 0.00 C ATOM 223 OE1 GLU A 15 -15.873 1.564 10.031 1.00 0.00 O ATOM 224 OE2 GLU A 15 -17.616 0.571 9.150 1.00 0.00 O ATOM 0 H GLU A 15 -14.387 -3.482 7.778 1.00 0.00 H new ATOM 0 HA GLU A 15 -13.470 -1.254 6.325 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -14.395 0.582 7.612 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -15.710 -0.334 6.903 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -16.120 -1.468 9.019 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -14.730 -0.686 9.745 1.00 0.00 H new ATOM 231 N HIS A 16 -11.674 -1.001 8.013 1.00 0.00 N ATOM 232 CA HIS A 16 -10.556 -0.894 8.955 1.00 0.00 C ATOM 233 C HIS A 16 -9.828 0.410 8.751 1.00 0.00 C ATOM 234 O HIS A 16 -9.948 1.036 7.699 1.00 0.00 O ATOM 235 CB HIS A 16 -9.532 -2.028 8.819 1.00 0.00 C ATOM 236 CG HIS A 16 -10.006 -3.369 9.273 1.00 0.00 C ATOM 237 ND1 HIS A 16 -9.858 -3.819 10.565 1.00 0.00 N ATOM 238 CD2 HIS A 16 -10.603 -4.372 8.595 1.00 0.00 C ATOM 239 CE1 HIS A 16 -10.342 -5.040 10.663 1.00 0.00 C ATOM 240 NE2 HIS A 16 -10.800 -5.400 9.482 1.00 0.00 N ATOM 0 H HIS A 16 -11.485 -0.589 7.099 1.00 0.00 H new ATOM 0 HA HIS A 16 -11.001 -0.955 9.948 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -9.231 -2.101 7.774 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -8.642 -1.763 9.389 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -10.875 -4.366 7.550 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -10.360 -5.643 11.559 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -11.231 -6.298 9.262 1.00 0.00 H new ATOM 249 N GLY A 17 -8.996 0.723 9.728 1.00 0.00 N ATOM 250 CA GLY A 17 -8.220 1.951 9.770 1.00 0.00 C ATOM 251 C GLY A 17 -8.863 3.204 9.194 1.00 0.00 C ATOM 252 O GLY A 17 -10.058 3.278 8.905 1.00 0.00 O ATOM 0 H GLY A 17 -8.837 0.117 10.533 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -7.963 2.152 10.810 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -7.285 1.777 9.238 1.00 0.00 H new ATOM 256 N VAL A 18 -8.027 4.219 9.121 1.00 0.00 N ATOM 257 CA VAL A 18 -8.265 5.403 8.317 1.00 0.00 C ATOM 258 C VAL A 18 -6.946 5.746 7.647 1.00 0.00 C ATOM 259 O VAL A 18 -5.991 6.133 8.321 1.00 0.00 O ATOM 260 CB VAL A 18 -8.730 6.620 9.154 1.00 0.00 C ATOM 261 CG1 VAL A 18 -9.047 7.803 8.247 1.00 0.00 C ATOM 262 CG2 VAL A 18 -9.933 6.273 10.019 1.00 0.00 C ATOM 0 H VAL A 18 -7.143 4.246 9.630 1.00 0.00 H new ATOM 0 HA VAL A 18 -9.063 5.190 7.605 1.00 0.00 H new ATOM 0 HB VAL A 18 -7.912 6.898 9.818 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -9.372 8.649 8.853 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -8.155 8.080 7.686 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -9.841 7.527 7.553 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -10.233 7.150 10.593 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -10.759 5.956 9.383 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -9.669 5.465 10.701 1.00 0.00 H new ATOM 272 N PHE A 19 -6.869 5.578 6.343 1.00 0.00 N ATOM 273 CA PHE A 19 -5.588 5.759 5.680 1.00 0.00 C ATOM 274 C PHE A 19 -5.491 7.056 4.905 1.00 0.00 C ATOM 275 O PHE A 19 -6.084 7.246 3.848 1.00 0.00 O ATOM 276 CB PHE A 19 -5.278 4.585 4.777 1.00 0.00 C ATOM 277 CG PHE A 19 -4.878 3.340 5.525 1.00 0.00 C ATOM 278 CD1 PHE A 19 -5.820 2.407 5.936 1.00 0.00 C ATOM 279 CD2 PHE A 19 -3.547 3.107 5.810 1.00 0.00 C ATOM 280 CE1 PHE A 19 -5.433 1.263 6.621 1.00 0.00 C ATOM 281 CE2 PHE A 19 -3.152 1.969 6.487 1.00 0.00 C ATOM 282 CZ PHE A 19 -4.092 1.044 6.895 1.00 0.00 C ATOM 0 H PHE A 19 -7.648 5.325 5.735 1.00 0.00 H new ATOM 0 HA PHE A 19 -4.843 5.812 6.474 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -6.153 4.366 4.165 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -4.474 4.864 4.095 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -6.865 2.573 5.721 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -2.803 3.826 5.499 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -6.175 0.546 6.940 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -2.106 1.803 6.697 1.00 0.00 H new ATOM 0 HZ PHE A 19 -3.784 0.155 7.425 1.00 0.00 H new ATOM 292 N THR A 20 -4.736 7.935 5.499 1.00 0.00 N ATOM 293 CA THR A 20 -4.341 9.177 4.853 1.00 0.00 C ATOM 294 C THR A 20 -3.026 9.058 4.096 1.00 0.00 C ATOM 295 O THR A 20 -1.964 8.783 4.659 1.00 0.00 O ATOM 296 CB THR A 20 -4.282 10.361 5.828 1.00 0.00 C ATOM 297 OG1 THR A 20 -3.558 10.012 7.019 1.00 0.00 O ATOM 298 CG2 THR A 20 -5.686 10.823 6.180 1.00 0.00 C ATOM 0 H THR A 20 -4.371 7.821 6.445 1.00 0.00 H new ATOM 0 HA THR A 20 -5.129 9.378 4.127 1.00 0.00 H new ATOM 0 HB THR A 20 -3.754 11.179 5.338 1.00 0.00 H new ATOM 0 HG1 THR A 20 -2.767 9.486 6.779 1.00 0.00 H new ATOM 0 HG21 THR A 20 -5.630 11.663 6.872 1.00 0.00 H new ATOM 0 HG22 THR A 20 -6.205 11.134 5.273 1.00 0.00 H new ATOM 0 HG23 THR A 20 -6.232 10.004 6.648 1.00 0.00 H new ATOM 306 N GLY A 21 -3.140 9.258 2.798 1.00 0.00 N ATOM 307 CA GLY A 21 -1.986 9.220 1.910 1.00 0.00 C ATOM 308 C GLY A 21 -2.047 10.303 0.858 1.00 0.00 C ATOM 309 O GLY A 21 -3.063 10.966 0.715 1.00 0.00 O ATOM 0 H GLY A 21 -4.025 9.450 2.328 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -1.074 9.334 2.496 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -1.934 8.245 1.425 1.00 0.00 H new ATOM 313 N LYS A 22 -0.959 10.503 0.132 1.00 0.00 N ATOM 314 CA LYS A 22 -0.950 11.456 -0.974 1.00 0.00 C ATOM 315 C LYS A 22 -1.382 10.772 -2.264 1.00 0.00 C ATOM 316 O LYS A 22 -1.644 11.415 -3.279 1.00 0.00 O ATOM 317 CB LYS A 22 0.431 12.065 -1.134 1.00 0.00 C ATOM 318 CG LYS A 22 0.839 12.913 0.040 1.00 0.00 C ATOM 319 CD LYS A 22 2.113 13.644 -0.274 1.00 0.00 C ATOM 320 CE LYS A 22 2.523 14.547 0.866 1.00 0.00 C ATOM 321 NZ LYS A 22 3.834 15.194 0.612 1.00 0.00 N ATOM 0 H LYS A 22 -0.073 10.022 0.285 1.00 0.00 H new ATOM 0 HA LYS A 22 -1.657 12.255 -0.752 1.00 0.00 H new ATOM 0 HB2 LYS A 22 1.161 11.267 -1.270 1.00 0.00 H new ATOM 0 HB3 LYS A 22 0.452 12.673 -2.039 1.00 0.00 H new ATOM 0 HG2 LYS A 22 0.049 13.626 0.276 1.00 0.00 H new ATOM 0 HG3 LYS A 22 0.977 12.287 0.921 1.00 0.00 H new ATOM 0 HD2 LYS A 22 2.907 12.925 -0.475 1.00 0.00 H new ATOM 0 HD3 LYS A 22 1.982 14.235 -1.180 1.00 0.00 H new ATOM 0 HE2 LYS A 22 1.762 15.313 1.015 1.00 0.00 H new ATOM 0 HE3 LYS A 22 2.576 13.968 1.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 4.081 15.805 1.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 4.565 14.463 0.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 3.776 15.767 -0.254 1.00 0.00 H new ATOM 335 N GLN A 23 -1.447 9.451 -2.197 1.00 0.00 N ATOM 336 CA GLN A 23 -1.839 8.616 -3.320 1.00 0.00 C ATOM 337 C GLN A 23 -2.262 7.254 -2.782 1.00 0.00 C ATOM 338 O GLN A 23 -1.736 6.836 -1.751 1.00 0.00 O ATOM 339 CB GLN A 23 -0.661 8.473 -4.300 1.00 0.00 C ATOM 340 CG GLN A 23 -0.876 7.478 -5.428 1.00 0.00 C ATOM 341 CD GLN A 23 0.390 7.223 -6.221 1.00 0.00 C ATOM 342 OE1 GLN A 23 1.257 8.090 -6.330 1.00 0.00 O ATOM 343 NE2 GLN A 23 0.509 6.033 -6.783 1.00 0.00 N ATOM 0 H GLN A 23 -1.227 8.924 -1.352 1.00 0.00 H new ATOM 0 HA GLN A 23 -2.672 9.069 -3.858 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -0.450 9.450 -4.734 1.00 0.00 H new ATOM 0 HB3 GLN A 23 0.224 8.175 -3.738 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -1.239 6.537 -5.015 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -1.651 7.852 -6.096 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -0.231 5.340 -6.671 1.00 0.00 H new ATOM 0 HE22 GLN A 23 1.341 5.808 -7.329 1.00 0.00 H new ATOM 352 N PRO A 24 -3.233 6.568 -3.411 1.00 0.00 N ATOM 353 CA PRO A 24 -3.653 5.234 -2.975 1.00 0.00 C ATOM 354 C PRO A 24 -2.476 4.320 -2.627 1.00 0.00 C ATOM 355 O PRO A 24 -2.513 3.626 -1.623 1.00 0.00 O ATOM 356 CB PRO A 24 -4.421 4.683 -4.171 1.00 0.00 C ATOM 357 CG PRO A 24 -4.922 5.881 -4.910 1.00 0.00 C ATOM 358 CD PRO A 24 -4.025 7.049 -4.555 1.00 0.00 C ATOM 0 HA PRO A 24 -4.244 5.285 -2.060 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -3.777 4.073 -4.804 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -5.246 4.047 -3.849 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -4.908 5.701 -5.985 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -5.955 6.095 -4.636 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -3.385 7.327 -5.392 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -4.608 7.932 -4.292 1.00 0.00 H new ATOM 366 N ARG A 25 -1.425 4.342 -3.445 1.00 0.00 N ATOM 367 CA ARG A 25 -0.242 3.521 -3.210 1.00 0.00 C ATOM 368 C ARG A 25 0.423 3.848 -1.871 1.00 0.00 C ATOM 369 O ARG A 25 0.953 2.965 -1.222 1.00 0.00 O ATOM 370 CB ARG A 25 0.766 3.711 -4.343 1.00 0.00 C ATOM 371 CG ARG A 25 1.966 2.773 -4.274 1.00 0.00 C ATOM 372 CD ARG A 25 2.840 2.927 -5.506 1.00 0.00 C ATOM 373 NE ARG A 25 3.746 1.794 -5.688 1.00 0.00 N ATOM 374 CZ ARG A 25 4.944 1.884 -6.266 1.00 0.00 C ATOM 375 NH1 ARG A 25 5.411 3.060 -6.673 1.00 0.00 N ATOM 376 NH2 ARG A 25 5.682 0.796 -6.433 1.00 0.00 N ATOM 0 H ARG A 25 -1.370 4.924 -4.281 1.00 0.00 H new ATOM 0 HA ARG A 25 -0.569 2.482 -3.178 1.00 0.00 H new ATOM 0 HB2 ARG A 25 0.257 3.563 -5.296 1.00 0.00 H new ATOM 0 HB3 ARG A 25 1.122 4.741 -4.329 1.00 0.00 H new ATOM 0 HG2 ARG A 25 2.550 2.987 -3.379 1.00 0.00 H new ATOM 0 HG3 ARG A 25 1.623 1.742 -4.192 1.00 0.00 H new ATOM 0 HD2 ARG A 25 2.207 3.029 -6.388 1.00 0.00 H new ATOM 0 HD3 ARG A 25 3.422 3.845 -5.424 1.00 0.00 H new ATOM 0 HE ARG A 25 3.443 0.880 -5.353 1.00 0.00 H new ATOM 0 HH11 ARG A 25 4.852 3.903 -6.544 1.00 0.00 H new ATOM 0 HH12 ARG A 25 6.329 3.119 -7.114 1.00 0.00 H new ATOM 0 HH21 ARG A 25 5.333 -0.110 -6.119 1.00 0.00 H new ATOM 0 HH22 ARG A 25 6.599 0.864 -6.875 1.00 0.00 H new ATOM 390 N GLN A 26 0.399 5.119 -1.473 1.00 0.00 N ATOM 391 CA GLN A 26 0.972 5.547 -0.189 1.00 0.00 C ATOM 392 C GLN A 26 0.046 5.154 0.949 1.00 0.00 C ATOM 393 O GLN A 26 0.480 4.779 2.028 1.00 0.00 O ATOM 394 CB GLN A 26 1.162 7.065 -0.164 1.00 0.00 C ATOM 395 CG GLN A 26 2.165 7.580 -1.176 1.00 0.00 C ATOM 396 CD GLN A 26 3.581 7.123 -0.881 1.00 0.00 C ATOM 397 OE1 GLN A 26 3.961 6.939 0.276 1.00 0.00 O ATOM 398 NE2 GLN A 26 4.372 6.933 -1.926 1.00 0.00 N ATOM 0 H GLN A 26 -0.011 5.876 -2.020 1.00 0.00 H new ATOM 0 HA GLN A 26 1.939 5.058 -0.070 1.00 0.00 H new ATOM 0 HB2 GLN A 26 0.200 7.544 -0.346 1.00 0.00 H new ATOM 0 HB3 GLN A 26 1.483 7.364 0.834 1.00 0.00 H new ATOM 0 HG2 GLN A 26 1.878 7.241 -2.171 1.00 0.00 H new ATOM 0 HG3 GLN A 26 2.135 8.669 -1.190 1.00 0.00 H new ATOM 0 HE21 GLN A 26 4.019 7.096 -2.869 1.00 0.00 H new ATOM 0 HE22 GLN A 26 5.334 6.623 -1.788 1.00 0.00 H new ATOM 407 N ALA A 27 -1.229 5.300 0.681 1.00 0.00 N ATOM 408 CA ALA A 27 -2.265 4.888 1.614 1.00 0.00 C ATOM 409 C ALA A 27 -2.246 3.373 1.789 1.00 0.00 C ATOM 410 O ALA A 27 -2.528 2.851 2.864 1.00 0.00 O ATOM 411 CB ALA A 27 -3.619 5.363 1.141 1.00 0.00 C ATOM 0 H ALA A 27 -1.583 5.706 -0.185 1.00 0.00 H new ATOM 0 HA ALA A 27 -2.067 5.345 2.584 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -4.384 5.047 1.850 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -3.618 6.451 1.069 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -3.833 4.935 0.162 1.00 0.00 H new ATOM 417 N ALA A 28 -1.894 2.677 0.719 1.00 0.00 N ATOM 418 CA ALA A 28 -1.775 1.236 0.736 1.00 0.00 C ATOM 419 C ALA A 28 -0.427 0.854 1.271 1.00 0.00 C ATOM 420 O ALA A 28 -0.238 -0.219 1.812 1.00 0.00 O ATOM 421 CB ALA A 28 -1.971 0.681 -0.665 1.00 0.00 C ATOM 0 H ALA A 28 -1.683 3.101 -0.185 1.00 0.00 H new ATOM 0 HA ALA A 28 -2.545 0.814 1.382 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.880 -0.405 -0.642 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -2.961 0.954 -1.029 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -1.213 1.095 -1.330 1.00 0.00 H new ATOM 427 N LEU A 29 0.509 1.751 1.090 1.00 0.00 N ATOM 428 CA LEU A 29 1.820 1.630 1.664 1.00 0.00 C ATOM 429 C LEU A 29 1.671 1.678 3.172 1.00 0.00 C ATOM 430 O LEU A 29 2.073 0.771 3.873 1.00 0.00 O ATOM 431 CB LEU A 29 2.676 2.780 1.107 1.00 0.00 C ATOM 432 CG LEU A 29 4.102 2.933 1.620 1.00 0.00 C ATOM 433 CD1 LEU A 29 4.948 3.572 0.532 1.00 0.00 C ATOM 434 CD2 LEU A 29 4.135 3.806 2.862 1.00 0.00 C ATOM 0 H LEU A 29 0.378 2.595 0.533 1.00 0.00 H new ATOM 0 HA LEU A 29 2.314 0.692 1.411 1.00 0.00 H new ATOM 0 HB2 LEU A 29 2.723 2.665 0.024 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.149 3.713 1.306 1.00 0.00 H new ATOM 0 HG LEU A 29 4.495 1.950 1.878 1.00 0.00 H new ATOM 0 HD11 LEU A 29 5.972 3.687 0.888 1.00 0.00 H new ATOM 0 HD12 LEU A 29 4.941 2.938 -0.354 1.00 0.00 H new ATOM 0 HD13 LEU A 29 4.539 4.551 0.281 1.00 0.00 H new ATOM 0 HD21 LEU A 29 5.163 3.902 3.212 1.00 0.00 H new ATOM 0 HD22 LEU A 29 3.739 4.793 2.624 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.527 3.350 3.643 1.00 0.00 H new ATOM 446 N LYS A 30 1.204 2.820 3.632 1.00 0.00 N ATOM 447 CA LYS A 30 0.684 2.964 5.008 1.00 0.00 C ATOM 448 C LYS A 30 0.017 1.670 5.544 1.00 0.00 C ATOM 449 O LYS A 30 0.034 1.413 6.749 1.00 0.00 O ATOM 450 CB LYS A 30 -0.288 4.138 5.102 1.00 0.00 C ATOM 451 CG LYS A 30 0.414 5.485 5.134 1.00 0.00 C ATOM 452 CD LYS A 30 1.398 5.560 6.292 1.00 0.00 C ATOM 453 CE LYS A 30 2.199 6.853 6.271 1.00 0.00 C ATOM 454 NZ LYS A 30 3.158 6.927 7.405 1.00 0.00 N ATOM 0 H LYS A 30 1.167 3.678 3.081 1.00 0.00 H new ATOM 0 HA LYS A 30 1.549 3.161 5.642 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -0.969 4.109 4.251 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -0.896 4.029 6.000 1.00 0.00 H new ATOM 0 HG2 LYS A 30 0.941 5.647 4.194 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -0.324 6.282 5.227 1.00 0.00 H new ATOM 0 HD2 LYS A 30 0.856 5.484 7.235 1.00 0.00 H new ATOM 0 HD3 LYS A 30 2.079 4.710 6.246 1.00 0.00 H new ATOM 0 HE2 LYS A 30 2.743 6.928 5.329 1.00 0.00 H new ATOM 0 HE3 LYS A 30 1.518 7.703 6.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 3.685 7.822 7.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 2.637 6.881 8.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 3.824 6.130 7.349 1.00 0.00 H new ATOM 468 N ALA A 31 -0.521 0.846 4.651 1.00 0.00 N ATOM 469 CA ALA A 31 -1.077 -0.454 5.028 1.00 0.00 C ATOM 470 C ALA A 31 -0.012 -1.559 4.886 1.00 0.00 C ATOM 471 O ALA A 31 0.076 -2.474 5.699 1.00 0.00 O ATOM 472 CB ALA A 31 -2.293 -0.769 4.170 1.00 0.00 C ATOM 0 H ALA A 31 -0.585 1.055 3.655 1.00 0.00 H new ATOM 0 HA ALA A 31 -1.387 -0.413 6.072 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -2.700 -1.738 4.458 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.051 0.001 4.316 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.001 -0.795 3.120 1.00 0.00 H new ATOM 478 N ALA A 32 0.799 -1.427 3.845 1.00 0.00 N ATOM 479 CA ALA A 32 1.900 -2.339 3.524 1.00 0.00 C ATOM 480 C ALA A 32 3.060 -2.253 4.511 1.00 0.00 C ATOM 481 O ALA A 32 4.002 -3.039 4.437 1.00 0.00 O ATOM 482 CB ALA A 32 2.408 -2.070 2.116 1.00 0.00 C ATOM 0 H ALA A 32 0.710 -0.661 3.178 1.00 0.00 H new ATOM 0 HA ALA A 32 1.495 -3.349 3.594 1.00 0.00 H new ATOM 0 HB1 ALA A 32 3.226 -2.753 1.888 1.00 0.00 H new ATOM 0 HB2 ALA A 32 1.599 -2.222 1.402 1.00 0.00 H new ATOM 0 HB3 ALA A 32 2.764 -1.042 2.048 1.00 0.00 H new ATOM 488 N ASN A 33 3.012 -1.274 5.397 1.00 0.00 N ATOM 489 CA ASN A 33 4.107 -1.051 6.336 1.00 0.00 C ATOM 490 C ASN A 33 4.277 -2.260 7.227 1.00 0.00 C ATOM 491 O ASN A 33 5.380 -2.794 7.366 1.00 0.00 O ATOM 492 CB ASN A 33 3.860 0.189 7.192 1.00 0.00 C ATOM 493 CG ASN A 33 4.310 1.471 6.535 1.00 0.00 C ATOM 494 OD1 ASN A 33 4.822 2.378 7.189 1.00 0.00 O ATOM 495 ND2 ASN A 33 4.080 1.574 5.245 1.00 0.00 N ATOM 0 H ASN A 33 2.233 -0.622 5.489 1.00 0.00 H new ATOM 0 HA ASN A 33 5.018 -0.891 5.759 1.00 0.00 H new ATOM 0 HB2 ASN A 33 2.796 0.259 7.418 1.00 0.00 H new ATOM 0 HB3 ASN A 33 4.381 0.075 8.143 1.00 0.00 H new ATOM 0 HD21 ASN A 33 4.328 2.430 4.749 1.00 0.00 H new ATOM 0 HD22 ASN A 33 3.653 0.798 4.739 1.00 0.00 H new ATOM 502 N ARG A 34 3.179 -2.686 7.833 1.00 0.00 N ATOM 503 CA ARG A 34 3.218 -3.906 8.615 1.00 0.00 C ATOM 504 C ARG A 34 3.534 -5.081 7.686 1.00 0.00 C ATOM 505 O ARG A 34 4.502 -5.809 7.904 1.00 0.00 O ATOM 506 CB ARG A 34 1.904 -4.134 9.397 1.00 0.00 C ATOM 507 CG ARG A 34 0.607 -3.844 8.630 1.00 0.00 C ATOM 508 CD ARG A 34 0.209 -2.367 8.681 1.00 0.00 C ATOM 509 NE ARG A 34 0.105 -1.868 10.049 1.00 0.00 N ATOM 510 CZ ARG A 34 0.072 -0.577 10.368 1.00 0.00 C ATOM 511 NH1 ARG A 34 0.101 0.351 9.419 1.00 0.00 N ATOM 512 NH2 ARG A 34 -0.008 -0.212 11.639 1.00 0.00 N ATOM 0 H ARG A 34 2.274 -2.218 7.799 1.00 0.00 H new ATOM 0 HA ARG A 34 4.004 -3.820 9.366 1.00 0.00 H new ATOM 0 HB2 ARG A 34 1.880 -5.170 9.734 1.00 0.00 H new ATOM 0 HB3 ARG A 34 1.922 -3.509 10.290 1.00 0.00 H new ATOM 0 HG2 ARG A 34 0.729 -4.148 7.590 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -0.199 -4.448 9.046 1.00 0.00 H new ATOM 0 HD2 ARG A 34 0.945 -1.776 8.136 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -0.747 -2.233 8.174 1.00 0.00 H new ATOM 0 HE ARG A 34 0.055 -2.550 10.806 1.00 0.00 H new ATOM 0 HH11 ARG A 34 0.149 0.076 8.438 1.00 0.00 H new ATOM 0 HH12 ARG A 34 0.075 1.339 9.671 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -0.044 -0.921 12.372 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -0.033 0.778 11.885 1.00 0.00 H new ATOM 526 N GLY A 35 2.712 -5.267 6.654 1.00 0.00 N ATOM 527 CA GLY A 35 3.191 -5.879 5.444 1.00 0.00 C ATOM 528 C GLY A 35 3.182 -7.376 5.550 1.00 0.00 C ATOM 529 O GLY A 35 2.152 -8.019 5.328 1.00 0.00 O ATOM 0 H GLY A 35 1.727 -5.002 6.643 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.568 -5.568 4.605 1.00 0.00 H new ATOM 0 HA3 GLY A 35 4.203 -5.533 5.235 1.00 0.00 H new ATOM 533 N SER A 36 4.324 -7.916 5.937 1.00 0.00 N ATOM 534 CA SER A 36 4.508 -9.340 6.058 1.00 0.00 C ATOM 535 C SER A 36 4.364 -10.008 4.694 1.00 0.00 C ATOM 536 O SER A 36 3.833 -11.114 4.573 1.00 0.00 O ATOM 537 CB SER A 36 3.520 -9.907 7.071 1.00 0.00 C ATOM 538 OG SER A 36 3.680 -9.273 8.333 1.00 0.00 O ATOM 0 H SER A 36 5.152 -7.370 6.176 1.00 0.00 H new ATOM 0 HA SER A 36 5.515 -9.546 6.421 1.00 0.00 H new ATOM 0 HB2 SER A 36 2.501 -9.764 6.713 1.00 0.00 H new ATOM 0 HB3 SER A 36 3.673 -10.981 7.175 1.00 0.00 H new ATOM 0 HG SER A 36 3.037 -9.647 8.971 1.00 0.00 H new ATOM 544 N GLY A 37 4.849 -9.322 3.667 1.00 0.00 N ATOM 545 CA GLY A 37 4.805 -9.854 2.321 1.00 0.00 C ATOM 546 C GLY A 37 6.083 -9.553 1.557 1.00 0.00 C ATOM 547 O GLY A 37 6.836 -8.646 1.926 1.00 0.00 O ATOM 0 H GLY A 37 5.275 -8.399 3.745 1.00 0.00 H new ATOM 0 HA2 GLY A 37 4.650 -10.932 2.361 1.00 0.00 H new ATOM 0 HA3 GLY A 37 3.954 -9.429 1.789 1.00 0.00 H new ATOM 551 N THR A 38 6.343 -10.317 0.509 1.00 0.00 N ATOM 552 CA THR A 38 7.534 -10.116 -0.310 1.00 0.00 C ATOM 553 C THR A 38 7.116 -9.942 -1.760 1.00 0.00 C ATOM 554 O THR A 38 5.928 -9.953 -2.047 1.00 0.00 O ATOM 555 CB THR A 38 8.510 -11.303 -0.201 1.00 0.00 C ATOM 556 OG1 THR A 38 7.979 -12.435 -0.901 1.00 0.00 O ATOM 557 CG2 THR A 38 8.742 -11.677 1.255 1.00 0.00 C ATOM 0 H THR A 38 5.746 -11.085 0.202 1.00 0.00 H new ATOM 0 HA THR A 38 8.048 -9.225 0.052 1.00 0.00 H new ATOM 0 HB THR A 38 9.460 -11.007 -0.645 1.00 0.00 H new ATOM 0 HG1 THR A 38 8.414 -13.252 -0.579 1.00 0.00 H new ATOM 0 HG21 THR A 38 9.434 -12.517 1.309 1.00 0.00 H new ATOM 0 HG22 THR A 38 9.164 -10.824 1.787 1.00 0.00 H new ATOM 0 HG23 THR A 38 7.794 -11.958 1.714 1.00 0.00 H new ATOM 565 N LYS A 39 8.056 -9.795 -2.680 1.00 0.00 N ATOM 566 CA LYS A 39 7.667 -9.674 -4.084 1.00 0.00 C ATOM 567 C LYS A 39 7.187 -11.031 -4.582 1.00 0.00 C ATOM 568 O LYS A 39 6.373 -11.123 -5.503 1.00 0.00 O ATOM 569 CB LYS A 39 8.793 -9.179 -5.005 1.00 0.00 C ATOM 570 CG LYS A 39 9.728 -8.144 -4.427 1.00 0.00 C ATOM 571 CD LYS A 39 10.542 -7.479 -5.527 1.00 0.00 C ATOM 572 CE LYS A 39 11.602 -8.412 -6.094 1.00 0.00 C ATOM 573 NZ LYS A 39 12.550 -8.879 -5.048 1.00 0.00 N ATOM 0 H LYS A 39 9.059 -9.757 -2.496 1.00 0.00 H new ATOM 0 HA LYS A 39 6.878 -8.923 -4.123 1.00 0.00 H new ATOM 0 HB2 LYS A 39 9.386 -10.040 -5.313 1.00 0.00 H new ATOM 0 HB3 LYS A 39 8.340 -8.765 -5.906 1.00 0.00 H new ATOM 0 HG2 LYS A 39 9.155 -7.391 -3.886 1.00 0.00 H new ATOM 0 HG3 LYS A 39 10.397 -8.614 -3.706 1.00 0.00 H new ATOM 0 HD2 LYS A 39 9.876 -7.158 -6.328 1.00 0.00 H new ATOM 0 HD3 LYS A 39 11.021 -6.583 -5.132 1.00 0.00 H new ATOM 0 HE2 LYS A 39 11.118 -9.273 -6.555 1.00 0.00 H new ATOM 0 HE3 LYS A 39 12.154 -7.898 -6.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 13.304 -9.443 -5.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 12.969 -8.057 -4.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 12.041 -9.464 -4.355 1.00 0.00 H new ATOM 587 N ALA A 40 7.687 -12.082 -3.937 1.00 0.00 N ATOM 588 CA ALA A 40 7.347 -13.455 -4.291 1.00 0.00 C ATOM 589 C ALA A 40 5.964 -13.821 -3.782 1.00 0.00 C ATOM 590 O ALA A 40 5.273 -14.662 -4.358 1.00 0.00 O ATOM 591 CB ALA A 40 8.371 -14.409 -3.705 1.00 0.00 C ATOM 0 H ALA A 40 8.338 -12.005 -3.156 1.00 0.00 H new ATOM 0 HA ALA A 40 7.350 -13.536 -5.378 1.00 0.00 H new ATOM 0 HB1 ALA A 40 8.110 -15.433 -3.974 1.00 0.00 H new ATOM 0 HB2 ALA A 40 9.358 -14.170 -4.100 1.00 0.00 H new ATOM 0 HB3 ALA A 40 8.381 -14.310 -2.620 1.00 0.00 H new ATOM 597 N ASN A 41 5.571 -13.177 -2.699 1.00 0.00 N ATOM 598 CA ASN A 41 4.303 -13.457 -2.046 1.00 0.00 C ATOM 599 C ASN A 41 3.742 -12.188 -1.413 1.00 0.00 C ATOM 600 O ASN A 41 3.615 -12.089 -0.190 1.00 0.00 O ATOM 601 CB ASN A 41 4.466 -14.567 -0.998 1.00 0.00 C ATOM 602 CG ASN A 41 5.673 -14.370 -0.100 1.00 0.00 C ATOM 603 OD1 ASN A 41 6.745 -14.923 -0.349 1.00 0.00 O ATOM 604 ND2 ASN A 41 5.523 -13.548 0.922 1.00 0.00 N ATOM 0 H ASN A 41 6.120 -12.446 -2.247 1.00 0.00 H new ATOM 0 HA ASN A 41 3.595 -13.807 -2.798 1.00 0.00 H new ATOM 0 HB2 ASN A 41 3.567 -14.612 -0.383 1.00 0.00 H new ATOM 0 HB3 ASN A 41 4.552 -15.527 -1.506 1.00 0.00 H new ATOM 0 HD21 ASN A 41 6.312 -13.352 1.538 1.00 0.00 H new ATOM 0 HD22 ASN A 41 4.619 -13.109 1.095 1.00 0.00 H new ATOM 611 N PRO A 42 3.404 -11.191 -2.244 1.00 0.00 N ATOM 612 CA PRO A 42 2.910 -9.912 -1.753 1.00 0.00 C ATOM 613 C PRO A 42 1.588 -10.076 -1.033 1.00 0.00 C ATOM 614 O PRO A 42 0.695 -10.793 -1.503 1.00 0.00 O ATOM 615 CB PRO A 42 2.737 -9.046 -3.009 1.00 0.00 C ATOM 616 CG PRO A 42 3.340 -9.812 -4.142 1.00 0.00 C ATOM 617 CD PRO A 42 3.459 -11.249 -3.710 1.00 0.00 C ATOM 0 HA PRO A 42 3.595 -9.464 -1.033 1.00 0.00 H new ATOM 0 HB2 PRO A 42 1.683 -8.842 -3.197 1.00 0.00 H new ATOM 0 HB3 PRO A 42 3.231 -8.082 -2.886 1.00 0.00 H new ATOM 0 HG2 PRO A 42 2.717 -9.731 -5.033 1.00 0.00 H new ATOM 0 HG3 PRO A 42 4.319 -9.407 -4.399 1.00 0.00 H new ATOM 0 HD2 PRO A 42 2.649 -11.855 -4.115 1.00 0.00 H new ATOM 0 HD3 PRO A 42 4.392 -11.693 -4.056 1.00 0.00 H new ATOM 625 N ASP A 43 1.471 -9.431 0.119 1.00 0.00 N ATOM 626 CA ASP A 43 0.254 -9.491 0.903 1.00 0.00 C ATOM 627 C ASP A 43 -0.827 -8.676 0.223 1.00 0.00 C ATOM 628 O ASP A 43 -0.592 -8.068 -0.817 1.00 0.00 O ATOM 629 CB ASP A 43 0.495 -8.992 2.336 1.00 0.00 C ATOM 630 CG ASP A 43 0.882 -7.531 2.433 1.00 0.00 C ATOM 631 OD1 ASP A 43 2.080 -7.223 2.257 1.00 0.00 O ATOM 632 OD2 ASP A 43 -0.006 -6.702 2.731 1.00 0.00 O ATOM 0 H ASP A 43 2.209 -8.859 0.529 1.00 0.00 H new ATOM 0 HA ASP A 43 -0.071 -10.529 0.969 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -0.410 -9.155 2.922 1.00 0.00 H new ATOM 0 HB3 ASP A 43 1.282 -9.595 2.790 1.00 0.00 H new ATOM 637 N ILE A 44 -2.014 -8.688 0.782 1.00 0.00 N ATOM 638 CA ILE A 44 -3.133 -8.011 0.163 1.00 0.00 C ATOM 639 C ILE A 44 -3.769 -6.992 1.102 1.00 0.00 C ATOM 640 O ILE A 44 -3.984 -7.265 2.286 1.00 0.00 O ATOM 641 CB ILE A 44 -4.182 -9.043 -0.339 1.00 0.00 C ATOM 642 CG1 ILE A 44 -4.031 -9.252 -1.842 1.00 0.00 C ATOM 643 CG2 ILE A 44 -5.610 -8.633 -0.015 1.00 0.00 C ATOM 644 CD1 ILE A 44 -4.373 -8.022 -2.650 1.00 0.00 C ATOM 0 H ILE A 44 -2.231 -9.157 1.661 1.00 0.00 H new ATOM 0 HA ILE A 44 -2.753 -7.459 -0.696 1.00 0.00 H new ATOM 0 HB ILE A 44 -3.988 -9.977 0.188 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -3.005 -9.549 -2.060 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -4.674 -10.075 -2.155 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -6.300 -9.390 -0.389 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -5.725 -8.538 1.065 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -5.830 -7.676 -0.489 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -4.245 -8.237 -3.711 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -5.408 -7.738 -2.459 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -3.713 -7.203 -2.363 1.00 0.00 H new ATOM 656 N ILE A 45 -4.077 -5.827 0.549 1.00 0.00 N ATOM 657 CA ILE A 45 -4.829 -4.804 1.269 1.00 0.00 C ATOM 658 C ILE A 45 -5.858 -4.175 0.342 1.00 0.00 C ATOM 659 O ILE A 45 -5.582 -3.897 -0.826 1.00 0.00 O ATOM 660 CB ILE A 45 -3.969 -3.676 1.907 1.00 0.00 C ATOM 661 CG1 ILE A 45 -3.096 -2.955 0.872 1.00 0.00 C ATOM 662 CG2 ILE A 45 -3.121 -4.227 3.042 1.00 0.00 C ATOM 663 CD1 ILE A 45 -1.821 -3.683 0.527 1.00 0.00 C ATOM 0 H ILE A 45 -3.817 -5.564 -0.402 1.00 0.00 H new ATOM 0 HA ILE A 45 -5.299 -5.330 2.100 1.00 0.00 H new ATOM 0 HB ILE A 45 -4.658 -2.935 2.313 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -3.677 -2.810 -0.039 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -2.845 -1.964 1.251 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -2.527 -3.423 3.476 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -3.770 -4.652 3.808 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -2.458 -5.002 2.658 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -1.262 -3.108 -0.211 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -1.217 -3.805 1.426 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -2.062 -4.663 0.116 1.00 0.00 H new ATOM 675 N ARG A 46 -7.053 -3.981 0.853 1.00 0.00 N ATOM 676 CA ARG A 46 -8.123 -3.403 0.064 1.00 0.00 C ATOM 677 C ARG A 46 -8.472 -2.021 0.597 1.00 0.00 C ATOM 678 O ARG A 46 -9.000 -1.884 1.702 1.00 0.00 O ATOM 679 CB ARG A 46 -9.344 -4.321 0.080 1.00 0.00 C ATOM 680 CG ARG A 46 -10.443 -3.894 -0.878 1.00 0.00 C ATOM 681 CD ARG A 46 -11.573 -4.907 -0.907 1.00 0.00 C ATOM 682 NE ARG A 46 -12.673 -4.497 -1.779 1.00 0.00 N ATOM 683 CZ ARG A 46 -13.919 -4.969 -1.666 1.00 0.00 C ATOM 684 NH1 ARG A 46 -14.206 -5.878 -0.744 1.00 0.00 N ATOM 685 NH2 ARG A 46 -14.872 -4.551 -2.492 1.00 0.00 N ATOM 0 H ARG A 46 -7.311 -4.214 1.812 1.00 0.00 H new ATOM 0 HA ARG A 46 -7.791 -3.299 -0.969 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -9.029 -5.334 -0.171 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -9.749 -4.354 1.091 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -10.832 -2.921 -0.578 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -10.030 -3.778 -1.880 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -11.186 -5.868 -1.244 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -11.951 -5.053 0.105 1.00 0.00 H new ATOM 0 HE ARG A 46 -12.480 -3.815 -2.512 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -13.475 -6.219 -0.119 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -15.157 -6.236 -0.660 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -14.655 -3.867 -3.217 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -15.821 -4.914 -2.401 1.00 0.00 H new ATOM 699 N LEU A 47 -8.192 -1.007 -0.206 1.00 0.00 N ATOM 700 CA LEU A 47 -8.354 0.369 0.221 1.00 0.00 C ATOM 701 C LEU A 47 -9.620 0.988 -0.318 1.00 0.00 C ATOM 702 O LEU A 47 -9.722 1.356 -1.485 1.00 0.00 O ATOM 703 CB LEU A 47 -7.177 1.232 -0.186 1.00 0.00 C ATOM 704 CG LEU A 47 -5.940 1.101 0.685 1.00 0.00 C ATOM 705 CD1 LEU A 47 -4.883 2.049 0.174 1.00 0.00 C ATOM 706 CD2 LEU A 47 -6.263 1.404 2.140 1.00 0.00 C ATOM 0 H LEU A 47 -7.850 -1.114 -1.161 1.00 0.00 H new ATOM 0 HA LEU A 47 -8.412 0.333 1.309 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -6.905 0.985 -1.212 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -7.494 2.275 -0.182 1.00 0.00 H new ATOM 0 HG LEU A 47 -5.574 0.076 0.635 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.989 1.964 0.792 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -4.637 1.797 -0.858 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -5.259 3.071 0.218 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.360 1.303 2.742 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -6.643 2.422 2.224 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -7.018 0.704 2.498 1.00 0.00 H new ATOM 718 N ARG A 48 -10.566 1.103 0.563 1.00 0.00 N ATOM 719 CA ARG A 48 -11.790 1.810 0.319 1.00 0.00 C ATOM 720 C ARG A 48 -11.473 3.302 0.240 1.00 0.00 C ATOM 721 O ARG A 48 -10.497 3.758 0.836 1.00 0.00 O ATOM 722 CB ARG A 48 -12.726 1.498 1.488 1.00 0.00 C ATOM 723 CG ARG A 48 -14.163 1.954 1.321 1.00 0.00 C ATOM 724 CD ARG A 48 -14.990 1.487 2.507 1.00 0.00 C ATOM 725 NE ARG A 48 -16.305 2.119 2.580 1.00 0.00 N ATOM 726 CZ ARG A 48 -17.244 1.776 3.469 1.00 0.00 C ATOM 727 NH1 ARG A 48 -17.011 0.808 4.354 1.00 0.00 N ATOM 728 NH2 ARG A 48 -18.416 2.397 3.479 1.00 0.00 N ATOM 0 H ARG A 48 -10.508 0.698 1.497 1.00 0.00 H new ATOM 0 HA ARG A 48 -12.266 1.513 -0.616 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -12.723 0.421 1.654 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -12.320 1.960 2.388 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -14.203 3.040 1.243 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -14.577 1.552 0.396 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -15.117 0.406 2.449 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -14.443 1.695 3.427 1.00 0.00 H new ATOM 0 HE ARG A 48 -16.519 2.863 1.916 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -16.113 0.324 4.356 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -17.731 0.551 5.030 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -18.605 3.140 2.807 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -19.128 2.131 4.159 1.00 0.00 H new ATOM 742 N GLU A 49 -12.279 4.064 -0.468 1.00 0.00 N ATOM 743 CA GLU A 49 -12.029 5.486 -0.572 1.00 0.00 C ATOM 744 C GLU A 49 -13.242 6.223 -0.064 1.00 0.00 C ATOM 745 O GLU A 49 -14.370 5.910 -0.441 1.00 0.00 O ATOM 746 CB GLU A 49 -11.703 5.928 -2.005 1.00 0.00 C ATOM 747 CG GLU A 49 -11.178 7.351 -2.078 1.00 0.00 C ATOM 748 CD GLU A 49 -10.468 7.652 -3.379 1.00 0.00 C ATOM 749 OE1 GLU A 49 -10.638 6.879 -4.346 1.00 0.00 O ATOM 750 OE2 GLU A 49 -9.729 8.659 -3.435 1.00 0.00 O ATOM 0 H GLU A 49 -13.100 3.730 -0.973 1.00 0.00 H new ATOM 0 HA GLU A 49 -11.152 5.722 0.030 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -10.962 5.250 -2.430 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -12.600 5.845 -2.619 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -12.009 8.046 -1.954 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -10.493 7.523 -1.248 1.00 0.00 H new ATOM 757 N ARG A 50 -13.019 7.160 0.830 1.00 0.00 N ATOM 758 CA ARG A 50 -14.108 7.983 1.328 1.00 0.00 C ATOM 759 C ARG A 50 -14.201 9.276 0.539 1.00 0.00 C ATOM 760 O ARG A 50 -14.794 10.258 0.982 1.00 0.00 O ATOM 761 CB ARG A 50 -13.970 8.254 2.825 1.00 0.00 C ATOM 762 CG ARG A 50 -12.583 8.001 3.397 1.00 0.00 C ATOM 763 CD ARG A 50 -12.596 8.168 4.906 1.00 0.00 C ATOM 764 NE ARG A 50 -13.665 7.373 5.511 1.00 0.00 N ATOM 765 CZ ARG A 50 -14.366 7.739 6.582 1.00 0.00 C ATOM 766 NH1 ARG A 50 -14.121 8.894 7.185 1.00 0.00 N ATOM 767 NH2 ARG A 50 -15.318 6.943 7.049 1.00 0.00 N ATOM 0 H ARG A 50 -12.104 7.373 1.227 1.00 0.00 H new ATOM 0 HA ARG A 50 -15.037 7.430 1.188 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -14.243 9.291 3.018 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -14.687 7.631 3.360 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -12.254 6.995 3.139 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -11.868 8.694 2.954 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -11.634 7.864 5.318 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -12.732 9.220 5.158 1.00 0.00 H new ATOM 0 HE ARG A 50 -13.889 6.475 5.082 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -13.390 9.510 6.829 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -14.663 9.166 8.005 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -15.511 6.054 6.588 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -15.857 7.220 7.869 1.00 0.00 H new ATOM 781 N GLY A 51 -13.596 9.258 -0.632 1.00 0.00 N ATOM 782 CA GLY A 51 -13.751 10.340 -1.576 1.00 0.00 C ATOM 783 C GLY A 51 -14.547 9.884 -2.778 1.00 0.00 C ATOM 784 O GLY A 51 -15.594 10.449 -3.099 1.00 0.00 O ATOM 0 H GLY A 51 -12.991 8.501 -0.951 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -14.254 11.180 -1.096 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -12.771 10.696 -1.895 1.00 0.00 H new ATOM 788 N THR A 52 -14.043 8.856 -3.442 1.00 0.00 N ATOM 789 CA THR A 52 -14.744 8.250 -4.562 1.00 0.00 C ATOM 790 C THR A 52 -15.602 7.076 -4.096 1.00 0.00 C ATOM 791 O THR A 52 -15.594 6.709 -2.920 1.00 0.00 O ATOM 792 CB THR A 52 -13.738 7.731 -5.616 1.00 0.00 C ATOM 793 OG1 THR A 52 -13.197 6.470 -5.201 1.00 0.00 O ATOM 794 CG2 THR A 52 -12.585 8.702 -5.797 1.00 0.00 C ATOM 0 H THR A 52 -13.146 8.422 -3.223 1.00 0.00 H new ATOM 0 HA THR A 52 -15.381 9.017 -5.002 1.00 0.00 H new ATOM 0 HB THR A 52 -14.276 7.625 -6.558 1.00 0.00 H new ATOM 0 HG1 THR A 52 -12.271 6.593 -4.906 1.00 0.00 H new ATOM 0 HG21 THR A 52 -11.894 8.311 -6.544 1.00 0.00 H new ATOM 0 HG22 THR A 52 -12.970 9.666 -6.129 1.00 0.00 H new ATOM 0 HG23 THR A 52 -12.062 8.827 -4.849 1.00 0.00 H new ATOM 802 N LYS A 53 -16.359 6.512 -5.026 1.00 0.00 N ATOM 803 CA LYS A 53 -17.162 5.323 -4.768 1.00 0.00 C ATOM 804 C LYS A 53 -16.375 4.084 -5.158 1.00 0.00 C ATOM 805 O LYS A 53 -16.916 2.980 -5.219 1.00 0.00 O ATOM 806 CB LYS A 53 -18.464 5.386 -5.572 1.00 0.00 C ATOM 807 CG LYS A 53 -18.240 5.383 -7.078 1.00 0.00 C ATOM 808 CD LYS A 53 -19.524 5.646 -7.845 1.00 0.00 C ATOM 809 CE LYS A 53 -20.037 7.058 -7.610 1.00 0.00 C ATOM 810 NZ LYS A 53 -21.163 7.397 -8.518 1.00 0.00 N ATOM 0 H LYS A 53 -16.435 6.864 -5.980 1.00 0.00 H new ATOM 0 HA LYS A 53 -17.404 5.278 -3.706 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -19.091 4.536 -5.303 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -19.012 6.287 -5.294 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -17.502 6.142 -7.336 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -17.827 4.421 -7.381 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -19.350 5.494 -8.910 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -20.284 4.927 -7.541 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -20.363 7.158 -6.575 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -19.224 7.769 -7.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -21.484 8.367 -8.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -20.846 7.326 -9.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -21.949 6.735 -8.359 1.00 0.00 H new ATOM 824 N LYS A 54 -15.093 4.283 -5.414 1.00 0.00 N ATOM 825 CA LYS A 54 -14.238 3.225 -5.913 1.00 0.00 C ATOM 826 C LYS A 54 -13.263 2.767 -4.841 1.00 0.00 C ATOM 827 O LYS A 54 -12.631 3.571 -4.161 1.00 0.00 O ATOM 828 CB LYS A 54 -13.478 3.698 -7.153 1.00 0.00 C ATOM 829 CG LYS A 54 -14.387 4.174 -8.273 1.00 0.00 C ATOM 830 CD LYS A 54 -13.593 4.720 -9.445 1.00 0.00 C ATOM 831 CE LYS A 54 -14.512 5.306 -10.502 1.00 0.00 C ATOM 832 NZ LYS A 54 -13.755 5.858 -11.655 1.00 0.00 N ATOM 0 H LYS A 54 -14.620 5.177 -5.282 1.00 0.00 H new ATOM 0 HA LYS A 54 -14.867 2.378 -6.187 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -12.806 4.509 -6.871 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -12.856 2.882 -7.522 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -15.012 3.348 -8.610 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -15.056 4.947 -7.895 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -12.902 5.486 -9.094 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -12.991 3.924 -9.883 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -15.197 4.535 -10.854 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -15.120 6.094 -10.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -14.421 6.248 -12.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -13.119 6.612 -11.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -13.194 5.101 -12.096 1.00 0.00 H new ATOM 846 N VAL A 55 -13.153 1.464 -4.699 1.00 0.00 N ATOM 847 CA VAL A 55 -12.232 0.870 -3.754 1.00 0.00 C ATOM 848 C VAL A 55 -10.995 0.375 -4.492 1.00 0.00 C ATOM 849 O VAL A 55 -11.092 -0.347 -5.475 1.00 0.00 O ATOM 850 CB VAL A 55 -12.892 -0.289 -2.975 1.00 0.00 C ATOM 851 CG1 VAL A 55 -11.892 -0.977 -2.061 1.00 0.00 C ATOM 852 CG2 VAL A 55 -14.083 0.219 -2.175 1.00 0.00 C ATOM 0 H VAL A 55 -13.698 0.788 -5.234 1.00 0.00 H new ATOM 0 HA VAL A 55 -11.944 1.631 -3.029 1.00 0.00 H new ATOM 0 HB VAL A 55 -13.244 -1.023 -3.699 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -12.386 -1.788 -1.526 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -11.073 -1.381 -2.656 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -11.499 -0.256 -1.344 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -14.537 -0.610 -1.632 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -13.749 0.977 -1.467 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -14.818 0.654 -2.853 1.00 0.00 H new ATOM 862 N HIS A 56 -9.838 0.775 -4.019 1.00 0.00 N ATOM 863 CA HIS A 56 -8.586 0.451 -4.671 1.00 0.00 C ATOM 864 C HIS A 56 -8.000 -0.804 -4.037 1.00 0.00 C ATOM 865 O HIS A 56 -7.890 -0.888 -2.819 1.00 0.00 O ATOM 866 CB HIS A 56 -7.614 1.631 -4.528 1.00 0.00 C ATOM 867 CG HIS A 56 -8.175 2.954 -4.979 1.00 0.00 C ATOM 868 ND1 HIS A 56 -7.755 3.610 -6.121 1.00 0.00 N ATOM 869 CD2 HIS A 56 -9.118 3.758 -4.417 1.00 0.00 C ATOM 870 CE1 HIS A 56 -8.412 4.751 -6.236 1.00 0.00 C ATOM 871 NE2 HIS A 56 -9.242 4.861 -5.217 1.00 0.00 N ATOM 0 H HIS A 56 -9.736 1.334 -3.172 1.00 0.00 H new ATOM 0 HA HIS A 56 -8.755 0.265 -5.732 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -7.313 1.714 -3.484 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -6.713 1.416 -5.103 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -9.667 3.562 -3.508 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -8.290 5.472 -7.031 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -9.875 5.643 -5.052 1.00 0.00 H new ATOM 880 N VAL A 57 -7.643 -1.788 -4.847 1.00 0.00 N ATOM 881 CA VAL A 57 -7.124 -3.042 -4.309 1.00 0.00 C ATOM 882 C VAL A 57 -5.650 -3.204 -4.650 1.00 0.00 C ATOM 883 O VAL A 57 -5.260 -3.173 -5.822 1.00 0.00 O ATOM 884 CB VAL A 57 -7.904 -4.262 -4.830 1.00 0.00 C ATOM 885 CG1 VAL A 57 -7.417 -5.535 -4.155 1.00 0.00 C ATOM 886 CG2 VAL A 57 -9.397 -4.076 -4.613 1.00 0.00 C ATOM 0 H VAL A 57 -7.700 -1.748 -5.865 1.00 0.00 H new ATOM 0 HA VAL A 57 -7.248 -2.995 -3.227 1.00 0.00 H new ATOM 0 HB VAL A 57 -7.724 -4.353 -5.901 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -7.980 -6.387 -4.536 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -6.357 -5.676 -4.367 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -7.564 -5.455 -3.078 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -9.931 -4.949 -4.988 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -9.598 -3.958 -3.548 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -9.734 -3.188 -5.147 1.00 0.00 H new ATOM 896 N PHE A 58 -4.833 -3.380 -3.625 1.00 0.00 N ATOM 897 CA PHE A 58 -3.396 -3.448 -3.806 1.00 0.00 C ATOM 898 C PHE A 58 -2.779 -4.650 -3.093 1.00 0.00 C ATOM 899 O PHE A 58 -3.048 -4.874 -1.919 1.00 0.00 O ATOM 900 CB PHE A 58 -2.710 -2.212 -3.229 1.00 0.00 C ATOM 901 CG PHE A 58 -2.916 -0.899 -3.907 1.00 0.00 C ATOM 902 CD1 PHE A 58 -4.117 -0.220 -3.834 1.00 0.00 C ATOM 903 CD2 PHE A 58 -1.851 -0.309 -4.550 1.00 0.00 C ATOM 904 CE1 PHE A 58 -4.245 1.020 -4.412 1.00 0.00 C ATOM 905 CE2 PHE A 58 -1.968 0.929 -5.114 1.00 0.00 C ATOM 906 CZ PHE A 58 -3.164 1.600 -5.047 1.00 0.00 C ATOM 0 H PHE A 58 -5.143 -3.478 -2.658 1.00 0.00 H new ATOM 0 HA PHE A 58 -3.243 -3.525 -4.882 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -3.036 -2.105 -2.194 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -1.638 -2.408 -3.207 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -4.957 -0.665 -3.321 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -0.909 -0.833 -4.609 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -5.190 1.541 -4.370 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -1.122 1.379 -5.612 1.00 0.00 H new ATOM 0 HZ PHE A 58 -3.260 2.580 -5.490 1.00 0.00 H new ATOM 916 N LYS A 59 -2.012 -5.467 -3.809 1.00 0.00 N ATOM 917 CA LYS A 59 -1.000 -6.290 -3.141 1.00 0.00 C ATOM 918 C LYS A 59 0.160 -5.444 -2.639 1.00 0.00 C ATOM 919 O LYS A 59 0.475 -4.405 -3.213 1.00 0.00 O ATOM 920 CB LYS A 59 -0.457 -7.381 -4.060 1.00 0.00 C ATOM 921 CG LYS A 59 -1.465 -8.472 -4.360 1.00 0.00 C ATOM 922 CD LYS A 59 -0.820 -9.845 -4.329 1.00 0.00 C ATOM 923 CE LYS A 59 -1.853 -10.948 -4.154 1.00 0.00 C ATOM 924 NZ LYS A 59 -2.731 -11.098 -5.345 1.00 0.00 N ATOM 0 H LYS A 59 -2.065 -5.579 -4.821 1.00 0.00 H new ATOM 0 HA LYS A 59 -1.499 -6.760 -2.293 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -0.133 -6.928 -4.997 1.00 0.00 H new ATOM 0 HB3 LYS A 59 0.425 -7.828 -3.600 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -2.274 -8.432 -3.631 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -1.910 -8.299 -5.340 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -0.267 -10.008 -5.254 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -0.098 -9.890 -3.513 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -1.343 -11.892 -3.961 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -2.466 -10.732 -3.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -3.313 -11.954 -5.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -3.350 -10.266 -5.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -2.145 -11.179 -6.200 1.00 0.00 H new ATOM 938 N ALA A 60 0.836 -5.950 -1.619 1.00 0.00 N ATOM 939 CA ALA A 60 1.839 -5.186 -0.887 1.00 0.00 C ATOM 940 C ALA A 60 3.095 -6.011 -0.635 1.00 0.00 C ATOM 941 O ALA A 60 3.025 -7.225 -0.474 1.00 0.00 O ATOM 942 CB ALA A 60 1.265 -4.728 0.439 1.00 0.00 C ATOM 0 H ALA A 60 0.706 -6.901 -1.274 1.00 0.00 H new ATOM 0 HA ALA A 60 2.113 -4.324 -1.495 1.00 0.00 H new ATOM 0 HB1 ALA A 60 2.017 -4.157 0.983 1.00 0.00 H new ATOM 0 HB2 ALA A 60 0.392 -4.100 0.260 1.00 0.00 H new ATOM 0 HB3 ALA A 60 0.972 -5.597 1.028 1.00 0.00 H new ATOM 948 N TRP A 61 4.247 -5.351 -0.622 1.00 0.00 N ATOM 949 CA TRP A 61 5.499 -5.999 -0.234 1.00 0.00 C ATOM 950 C TRP A 61 6.539 -4.936 0.130 1.00 0.00 C ATOM 951 O TRP A 61 6.238 -3.747 0.099 1.00 0.00 O ATOM 952 CB TRP A 61 6.011 -6.922 -1.355 1.00 0.00 C ATOM 953 CG TRP A 61 6.516 -6.204 -2.566 1.00 0.00 C ATOM 954 CD1 TRP A 61 7.819 -5.977 -2.892 1.00 0.00 C ATOM 955 CD2 TRP A 61 5.735 -5.639 -3.622 1.00 0.00 C ATOM 956 NE1 TRP A 61 7.904 -5.261 -4.050 1.00 0.00 N ATOM 957 CE2 TRP A 61 6.634 -5.046 -4.528 1.00 0.00 C ATOM 958 CE3 TRP A 61 4.361 -5.563 -3.883 1.00 0.00 C ATOM 959 CZ2 TRP A 61 6.203 -4.384 -5.674 1.00 0.00 C ATOM 960 CZ3 TRP A 61 3.940 -4.915 -5.019 1.00 0.00 C ATOM 961 CH2 TRP A 61 4.856 -4.330 -5.904 1.00 0.00 C ATOM 0 H TRP A 61 4.343 -4.368 -0.875 1.00 0.00 H new ATOM 0 HA TRP A 61 5.319 -6.622 0.642 1.00 0.00 H new ATOM 0 HB2 TRP A 61 6.812 -7.546 -0.958 1.00 0.00 H new ATOM 0 HB3 TRP A 61 5.204 -7.591 -1.655 1.00 0.00 H new ATOM 0 HD1 TRP A 61 8.666 -6.316 -2.314 1.00 0.00 H new ATOM 0 HE1 TRP A 61 8.767 -4.939 -4.488 1.00 0.00 H new ATOM 0 HE3 TRP A 61 3.646 -6.005 -3.205 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 6.906 -3.930 -6.356 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 2.883 -4.855 -5.234 1.00 0.00 H new ATOM 0 HH2 TRP A 61 4.490 -3.826 -6.786 1.00 0.00 H new ATOM 972 N LYS A 62 7.743 -5.358 0.495 1.00 0.00 N ATOM 973 CA LYS A 62 8.812 -4.429 0.874 1.00 0.00 C ATOM 974 C LYS A 62 10.145 -4.864 0.288 1.00 0.00 C ATOM 975 O LYS A 62 10.510 -6.037 0.337 1.00 0.00 O ATOM 976 CB LYS A 62 8.902 -4.296 2.395 1.00 0.00 C ATOM 977 CG LYS A 62 7.877 -3.323 2.959 1.00 0.00 C ATOM 978 CD LYS A 62 7.925 -3.252 4.470 1.00 0.00 C ATOM 979 CE LYS A 62 7.428 -4.542 5.074 1.00 0.00 C ATOM 980 NZ LYS A 62 7.596 -4.578 6.551 1.00 0.00 N ATOM 0 H LYS A 62 8.009 -6.342 0.538 1.00 0.00 H new ATOM 0 HA LYS A 62 8.569 -3.450 0.462 1.00 0.00 H new ATOM 0 HB2 LYS A 62 8.757 -5.275 2.851 1.00 0.00 H new ATOM 0 HB3 LYS A 62 9.903 -3.962 2.668 1.00 0.00 H new ATOM 0 HG2 LYS A 62 8.055 -2.331 2.545 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.879 -3.626 2.643 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.946 -3.059 4.799 1.00 0.00 H new ATOM 0 HD3 LYS A 62 7.314 -2.420 4.821 1.00 0.00 H new ATOM 0 HE2 LYS A 62 6.374 -4.673 4.828 1.00 0.00 H new ATOM 0 HE3 LYS A 62 7.966 -5.379 4.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 7.501 -5.557 6.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 8.538 -4.215 6.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 6.867 -3.986 6.998 1.00 0.00 H new ATOM 994 N GLU A 63 10.865 -3.886 -0.242 1.00 0.00 N ATOM 995 CA GLU A 63 12.075 -4.119 -1.042 1.00 0.00 C ATOM 996 C GLU A 63 13.045 -2.954 -0.933 1.00 0.00 C ATOM 997 O GLU A 63 12.714 -1.930 -0.352 1.00 0.00 O ATOM 998 CB GLU A 63 11.715 -4.284 -2.512 1.00 0.00 C ATOM 999 CG GLU A 63 11.124 -5.624 -2.837 1.00 0.00 C ATOM 1000 CD GLU A 63 12.121 -6.753 -2.668 1.00 0.00 C ATOM 1001 OE1 GLU A 63 13.125 -6.777 -3.412 1.00 0.00 O ATOM 1002 OE2 GLU A 63 11.901 -7.630 -1.816 1.00 0.00 O ATOM 0 H GLU A 63 10.631 -2.899 -0.133 1.00 0.00 H new ATOM 0 HA GLU A 63 12.543 -5.024 -0.655 1.00 0.00 H new ATOM 0 HB2 GLU A 63 11.006 -3.505 -2.794 1.00 0.00 H new ATOM 0 HB3 GLU A 63 12.610 -4.134 -3.116 1.00 0.00 H new ATOM 0 HG2 GLU A 63 10.263 -5.804 -2.193 1.00 0.00 H new ATOM 0 HG3 GLU A 63 10.758 -5.617 -3.864 1.00 0.00 H new ATOM 1009 N ILE A 64 14.239 -3.116 -1.504 1.00 0.00 N ATOM 1010 CA ILE A 64 15.168 -2.004 -1.692 1.00 0.00 C ATOM 1011 C ILE A 64 15.243 -1.678 -3.183 1.00 0.00 C ATOM 1012 O ILE A 64 16.116 -2.155 -3.913 1.00 0.00 O ATOM 1013 CB ILE A 64 16.577 -2.305 -1.160 1.00 0.00 C ATOM 1014 CG1 ILE A 64 16.565 -2.613 0.343 1.00 0.00 C ATOM 1015 CG2 ILE A 64 17.525 -1.145 -1.441 1.00 0.00 C ATOM 1016 CD1 ILE A 64 16.114 -4.016 0.695 1.00 0.00 C ATOM 0 H ILE A 64 14.586 -4.012 -1.846 1.00 0.00 H new ATOM 0 HA ILE A 64 14.791 -1.156 -1.121 1.00 0.00 H new ATOM 0 HB ILE A 64 16.932 -3.191 -1.686 1.00 0.00 H new ATOM 0 HG12 ILE A 64 17.568 -2.457 0.741 1.00 0.00 H new ATOM 0 HG13 ILE A 64 15.910 -1.899 0.842 1.00 0.00 H new ATOM 0 HG21 ILE A 64 18.516 -1.383 -1.054 1.00 0.00 H new ATOM 0 HG22 ILE A 64 17.586 -0.977 -2.516 1.00 0.00 H new ATOM 0 HG23 ILE A 64 17.152 -0.244 -0.954 1.00 0.00 H new ATOM 0 HD11 ILE A 64 16.137 -4.145 1.777 1.00 0.00 H new ATOM 0 HD12 ILE A 64 15.098 -4.173 0.332 1.00 0.00 H new ATOM 0 HD13 ILE A 64 16.782 -4.741 0.229 1.00 0.00 H new ATOM 1028 N VAL A 65 14.281 -0.893 -3.616 1.00 0.00 N ATOM 1029 CA VAL A 65 14.040 -0.634 -5.042 1.00 0.00 C ATOM 1030 C VAL A 65 14.828 0.547 -5.615 1.00 0.00 C ATOM 1031 O VAL A 65 15.845 0.976 -5.072 1.00 0.00 O ATOM 1032 CB VAL A 65 12.539 -0.459 -5.362 1.00 0.00 C ATOM 1033 CG1 VAL A 65 11.779 -1.744 -5.081 1.00 0.00 C ATOM 1034 CG2 VAL A 65 11.944 0.698 -4.588 1.00 0.00 C ATOM 0 H VAL A 65 13.633 -0.408 -2.995 1.00 0.00 H new ATOM 0 HA VAL A 65 14.411 -1.532 -5.535 1.00 0.00 H new ATOM 0 HB VAL A 65 12.447 -0.230 -6.424 1.00 0.00 H new ATOM 0 HG11 VAL A 65 10.724 -1.601 -5.313 1.00 0.00 H new ATOM 0 HG12 VAL A 65 12.180 -2.547 -5.700 1.00 0.00 H new ATOM 0 HG13 VAL A 65 11.887 -2.008 -4.029 1.00 0.00 H new ATOM 0 HG21 VAL A 65 10.887 0.795 -4.835 1.00 0.00 H new ATOM 0 HG22 VAL A 65 12.052 0.514 -3.519 1.00 0.00 H new ATOM 0 HG23 VAL A 65 12.465 1.618 -4.852 1.00 0.00 H new ATOM 1044 N ASP A 66 14.347 1.007 -6.766 1.00 0.00 N ATOM 1045 CA ASP A 66 15.069 1.951 -7.617 1.00 0.00 C ATOM 1046 C ASP A 66 14.165 3.092 -8.101 1.00 0.00 C ATOM 1047 O ASP A 66 13.476 2.951 -9.114 1.00 0.00 O ATOM 1048 CB ASP A 66 15.641 1.198 -8.815 1.00 0.00 C ATOM 1049 CG ASP A 66 16.496 2.060 -9.718 1.00 0.00 C ATOM 1050 OD1 ASP A 66 15.940 2.748 -10.599 1.00 0.00 O ATOM 1051 OD2 ASP A 66 17.730 2.024 -9.577 1.00 0.00 O ATOM 0 H ASP A 66 13.438 0.734 -7.139 1.00 0.00 H new ATOM 0 HA ASP A 66 15.871 2.399 -7.030 1.00 0.00 H new ATOM 0 HB2 ASP A 66 16.237 0.359 -8.456 1.00 0.00 H new ATOM 0 HB3 ASP A 66 14.820 0.779 -9.397 1.00 0.00 H new ATOM 1056 N ALA A 67 14.103 4.198 -7.344 1.00 0.00 N ATOM 1057 CA ALA A 67 13.428 5.411 -7.840 1.00 0.00 C ATOM 1058 C ALA A 67 14.214 6.087 -8.955 1.00 0.00 C ATOM 1059 O ALA A 67 15.437 5.962 -9.032 1.00 0.00 O ATOM 1060 CB ALA A 67 13.176 6.415 -6.727 1.00 0.00 C ATOM 0 H ALA A 67 14.501 4.280 -6.408 1.00 0.00 H new ATOM 0 HA ALA A 67 12.470 5.077 -8.239 1.00 0.00 H new ATOM 0 HB1 ALA A 67 12.677 7.294 -7.136 1.00 0.00 H new ATOM 0 HB2 ALA A 67 12.544 5.961 -5.964 1.00 0.00 H new ATOM 0 HB3 ALA A 67 14.126 6.711 -6.282 1.00 0.00 H new ATOM 1066 N PRO A 68 13.505 6.832 -9.823 1.00 0.00 N ATOM 1067 CA PRO A 68 14.105 7.541 -10.954 1.00 0.00 C ATOM 1068 C PRO A 68 14.955 8.741 -10.541 1.00 0.00 C ATOM 1069 O PRO A 68 15.405 8.842 -9.398 1.00 0.00 O ATOM 1070 CB PRO A 68 12.894 8.007 -11.779 1.00 0.00 C ATOM 1071 CG PRO A 68 11.729 7.260 -11.230 1.00 0.00 C ATOM 1072 CD PRO A 68 12.049 7.017 -9.792 1.00 0.00 C ATOM 0 HA PRO A 68 14.793 6.893 -11.497 1.00 0.00 H new ATOM 0 HB2 PRO A 68 12.748 9.083 -11.689 1.00 0.00 H new ATOM 0 HB3 PRO A 68 13.034 7.792 -12.838 1.00 0.00 H new ATOM 0 HG2 PRO A 68 10.809 7.836 -11.335 1.00 0.00 H new ATOM 0 HG3 PRO A 68 11.579 6.321 -11.762 1.00 0.00 H new ATOM 0 HD2 PRO A 68 11.759 7.859 -9.163 1.00 0.00 H new ATOM 0 HD3 PRO A 68 11.535 6.137 -9.404 1.00 0.00 H new ATOM 1080 N LYS A 69 15.156 9.660 -11.470 1.00 0.00 N ATOM 1081 CA LYS A 69 16.062 10.780 -11.252 1.00 0.00 C ATOM 1082 C LYS A 69 15.443 11.827 -10.321 1.00 0.00 C ATOM 1083 O LYS A 69 16.159 12.571 -9.654 1.00 0.00 O ATOM 1084 CB LYS A 69 16.429 11.435 -12.589 1.00 0.00 C ATOM 1085 CG LYS A 69 16.606 10.451 -13.743 1.00 0.00 C ATOM 1086 CD LYS A 69 17.628 9.362 -13.440 1.00 0.00 C ATOM 1087 CE LYS A 69 19.039 9.911 -13.316 1.00 0.00 C ATOM 1088 NZ LYS A 69 20.030 8.830 -13.075 1.00 0.00 N ATOM 0 H LYS A 69 14.704 9.654 -12.385 1.00 0.00 H new ATOM 0 HA LYS A 69 16.962 10.389 -10.778 1.00 0.00 H new ATOM 0 HB2 LYS A 69 15.652 12.152 -12.854 1.00 0.00 H new ATOM 0 HB3 LYS A 69 17.353 11.999 -12.463 1.00 0.00 H new ATOM 0 HG2 LYS A 69 15.646 9.988 -13.970 1.00 0.00 H new ATOM 0 HG3 LYS A 69 16.916 10.996 -14.635 1.00 0.00 H new ATOM 0 HD2 LYS A 69 17.354 8.858 -12.513 1.00 0.00 H new ATOM 0 HD3 LYS A 69 17.601 8.612 -14.230 1.00 0.00 H new ATOM 0 HE2 LYS A 69 19.302 10.449 -14.227 1.00 0.00 H new ATOM 0 HE3 LYS A 69 19.079 10.630 -12.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 20.981 9.243 -12.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 19.794 8.333 -12.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 20.009 8.157 -13.868 1.00 0.00 H new ATOM 1102 N ASN A 70 14.114 11.850 -10.246 1.00 0.00 N ATOM 1103 CA ASN A 70 13.404 12.907 -9.517 1.00 0.00 C ATOM 1104 C ASN A 70 13.300 12.612 -8.021 1.00 0.00 C ATOM 1105 O ASN A 70 12.482 13.204 -7.315 1.00 0.00 O ATOM 1106 CB ASN A 70 12.002 13.131 -10.105 1.00 0.00 C ATOM 1107 CG ASN A 70 11.056 11.958 -9.886 1.00 0.00 C ATOM 1108 OD1 ASN A 70 11.474 10.800 -9.840 1.00 0.00 O ATOM 1109 ND2 ASN A 70 9.771 12.249 -9.747 1.00 0.00 N ATOM 0 H ASN A 70 13.506 11.154 -10.678 1.00 0.00 H new ATOM 0 HA ASN A 70 13.992 13.817 -9.635 1.00 0.00 H new ATOM 0 HB2 ASN A 70 11.568 14.026 -9.658 1.00 0.00 H new ATOM 0 HB3 ASN A 70 12.091 13.320 -11.175 1.00 0.00 H new ATOM 0 HD21 ASN A 70 9.092 11.503 -9.596 1.00 0.00 H new ATOM 0 HD22 ASN A 70 9.460 13.220 -9.791 1.00 0.00 H new ATOM 1116 N ARG A 71 14.124 11.696 -7.553 1.00 0.00 N ATOM 1117 CA ARG A 71 14.209 11.371 -6.134 1.00 0.00 C ATOM 1118 C ARG A 71 14.915 12.491 -5.350 1.00 0.00 C ATOM 1119 O ARG A 71 15.466 13.423 -5.945 1.00 0.00 O ATOM 1120 CB ARG A 71 14.980 10.068 -5.988 1.00 0.00 C ATOM 1121 CG ARG A 71 16.349 10.147 -6.624 1.00 0.00 C ATOM 1122 CD ARG A 71 17.078 8.829 -6.540 1.00 0.00 C ATOM 1123 NE ARG A 71 18.473 8.956 -6.950 1.00 0.00 N ATOM 1124 CZ ARG A 71 18.973 8.409 -8.055 1.00 0.00 C ATOM 1125 NH1 ARG A 71 18.189 7.704 -8.867 1.00 0.00 N ATOM 1126 NH2 ARG A 71 20.251 8.583 -8.358 1.00 0.00 N ATOM 0 H ARG A 71 14.756 11.153 -8.142 1.00 0.00 H new ATOM 0 HA ARG A 71 13.203 11.267 -5.727 1.00 0.00 H new ATOM 0 HB2 ARG A 71 15.085 9.825 -4.931 1.00 0.00 H new ATOM 0 HB3 ARG A 71 14.413 9.258 -6.447 1.00 0.00 H new ATOM 0 HG2 ARG A 71 16.249 10.442 -7.669 1.00 0.00 H new ATOM 0 HG3 ARG A 71 16.936 10.920 -6.129 1.00 0.00 H new ATOM 0 HD2 ARG A 71 17.032 8.452 -5.518 1.00 0.00 H new ATOM 0 HD3 ARG A 71 16.578 8.096 -7.173 1.00 0.00 H new ATOM 0 HE ARG A 71 19.101 9.496 -6.355 1.00 0.00 H new ATOM 0 HH11 ARG A 71 17.201 7.582 -8.643 1.00 0.00 H new ATOM 0 HH12 ARG A 71 18.576 7.286 -9.713 1.00 0.00 H new ATOM 0 HH21 ARG A 71 20.850 9.136 -7.745 1.00 0.00 H new ATOM 0 HH22 ARG A 71 20.636 8.164 -9.205 1.00 0.00 H new ATOM 1140 N PRO A 72 14.898 12.427 -4.004 1.00 0.00 N ATOM 1141 CA PRO A 72 15.591 13.396 -3.153 1.00 0.00 C ATOM 1142 C PRO A 72 17.092 13.186 -3.141 1.00 0.00 C ATOM 1143 O PRO A 72 17.600 12.172 -3.618 1.00 0.00 O ATOM 1144 CB PRO A 72 15.029 13.136 -1.757 1.00 0.00 C ATOM 1145 CG PRO A 72 13.908 12.168 -1.935 1.00 0.00 C ATOM 1146 CD PRO A 72 14.206 11.418 -3.194 1.00 0.00 C ATOM 0 HA PRO A 72 15.435 14.414 -3.510 1.00 0.00 H new ATOM 0 HB2 PRO A 72 15.795 12.728 -1.098 1.00 0.00 H new ATOM 0 HB3 PRO A 72 14.676 14.061 -1.301 1.00 0.00 H new ATOM 0 HG2 PRO A 72 13.839 11.490 -1.084 1.00 0.00 H new ATOM 0 HG3 PRO A 72 12.952 12.687 -2.007 1.00 0.00 H new ATOM 0 HD2 PRO A 72 14.833 10.546 -3.009 1.00 0.00 H new ATOM 0 HD3 PRO A 72 13.298 11.061 -3.679 1.00 0.00 H new ATOM 1154 N ALA A 73 17.798 14.160 -2.591 1.00 0.00 N ATOM 1155 CA ALA A 73 19.245 14.107 -2.524 1.00 0.00 C ATOM 1156 C ALA A 73 19.717 13.452 -1.234 1.00 0.00 C ATOM 1157 O ALA A 73 20.854 12.987 -1.141 1.00 0.00 O ATOM 1158 CB ALA A 73 19.825 15.501 -2.670 1.00 0.00 C ATOM 0 H ALA A 73 17.388 15.000 -2.183 1.00 0.00 H new ATOM 0 HA ALA A 73 19.603 13.492 -3.350 1.00 0.00 H new ATOM 0 HB1 ALA A 73 20.913 15.450 -2.618 1.00 0.00 H new ATOM 0 HB2 ALA A 73 19.527 15.920 -3.631 1.00 0.00 H new ATOM 0 HB3 ALA A 73 19.453 16.136 -1.866 1.00 0.00 H new ATOM 1164 N TRP A 74 18.849 13.432 -0.231 1.00 0.00 N ATOM 1165 CA TRP A 74 19.153 12.738 1.013 1.00 0.00 C ATOM 1166 C TRP A 74 18.866 11.251 0.864 1.00 0.00 C ATOM 1167 O TRP A 74 19.467 10.420 1.543 1.00 0.00 O ATOM 1168 CB TRP A 74 18.344 13.313 2.187 1.00 0.00 C ATOM 1169 CG TRP A 74 16.858 13.235 1.989 1.00 0.00 C ATOM 1170 CD1 TRP A 74 16.040 14.232 1.544 1.00 0.00 C ATOM 1171 CD2 TRP A 74 16.013 12.097 2.226 1.00 0.00 C ATOM 1172 NE1 TRP A 74 14.744 13.785 1.484 1.00 0.00 N ATOM 1173 CE2 TRP A 74 14.704 12.480 1.896 1.00 0.00 C ATOM 1174 CE3 TRP A 74 16.237 10.788 2.679 1.00 0.00 C ATOM 1175 CZ2 TRP A 74 13.628 11.611 2.006 1.00 0.00 C ATOM 1176 CZ3 TRP A 74 15.167 9.929 2.785 1.00 0.00 C ATOM 1177 CH2 TRP A 74 13.878 10.342 2.450 1.00 0.00 C ATOM 0 H TRP A 74 17.935 13.885 -0.254 1.00 0.00 H new ATOM 0 HA TRP A 74 20.212 12.883 1.229 1.00 0.00 H new ATOM 0 HB2 TRP A 74 18.609 12.776 3.098 1.00 0.00 H new ATOM 0 HB3 TRP A 74 18.628 14.355 2.337 1.00 0.00 H new ATOM 0 HD1 TRP A 74 16.365 15.227 1.278 1.00 0.00 H new ATOM 0 HE1 TRP A 74 13.941 14.336 1.181 1.00 0.00 H new ATOM 0 HE3 TRP A 74 17.232 10.460 2.940 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 12.627 11.926 1.750 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 15.328 8.919 3.133 1.00 0.00 H new ATOM 0 HH2 TRP A 74 13.059 9.644 2.543 1.00 0.00 H new ATOM 1188 N MET A 75 17.936 10.923 -0.028 1.00 0.00 N ATOM 1189 CA MET A 75 17.530 9.544 -0.220 1.00 0.00 C ATOM 1190 C MET A 75 18.328 8.942 -1.363 1.00 0.00 C ATOM 1191 O MET A 75 18.660 9.640 -2.320 1.00 0.00 O ATOM 1192 CB MET A 75 16.036 9.461 -0.560 1.00 0.00 C ATOM 1193 CG MET A 75 15.442 8.079 -0.329 1.00 0.00 C ATOM 1194 SD MET A 75 13.882 7.811 -1.204 1.00 0.00 S ATOM 1195 CE MET A 75 12.757 8.828 -0.261 1.00 0.00 C ATOM 0 H MET A 75 17.454 11.595 -0.625 1.00 0.00 H new ATOM 0 HA MET A 75 17.714 8.995 0.704 1.00 0.00 H new ATOM 0 HB2 MET A 75 15.492 10.188 0.043 1.00 0.00 H new ATOM 0 HB3 MET A 75 15.892 9.741 -1.603 1.00 0.00 H new ATOM 0 HG2 MET A 75 16.162 7.325 -0.646 1.00 0.00 H new ATOM 0 HG3 MET A 75 15.280 7.935 0.739 1.00 0.00 H new ATOM 0 HE1 MET A 75 11.793 8.872 -0.769 1.00 0.00 H new ATOM 0 HE2 MET A 75 12.625 8.399 0.732 1.00 0.00 H new ATOM 0 HE3 MET A 75 13.165 9.835 -0.170 1.00 0.00 H new ATOM 1205 N PRO A 76 18.669 7.652 -1.279 1.00 0.00 N ATOM 1206 CA PRO A 76 19.201 6.919 -2.422 1.00 0.00 C ATOM 1207 C PRO A 76 18.117 6.755 -3.482 1.00 0.00 C ATOM 1208 O PRO A 76 17.023 7.298 -3.324 1.00 0.00 O ATOM 1209 CB PRO A 76 19.603 5.560 -1.848 1.00 0.00 C ATOM 1210 CG PRO A 76 19.554 5.715 -0.362 1.00 0.00 C ATOM 1211 CD PRO A 76 18.573 6.816 -0.079 1.00 0.00 C ATOM 0 HA PRO A 76 20.038 7.428 -2.900 1.00 0.00 H new ATOM 0 HB2 PRO A 76 18.922 4.777 -2.182 1.00 0.00 H new ATOM 0 HB3 PRO A 76 20.602 5.276 -2.179 1.00 0.00 H new ATOM 0 HG2 PRO A 76 19.242 4.786 0.115 1.00 0.00 H new ATOM 0 HG3 PRO A 76 20.539 5.962 0.035 1.00 0.00 H new ATOM 0 HD2 PRO A 76 17.564 6.431 0.066 1.00 0.00 H new ATOM 0 HD3 PRO A 76 18.836 7.370 0.822 1.00 0.00 H new ATOM 1219 N GLU A 77 18.425 6.051 -4.567 1.00 0.00 N ATOM 1220 CA GLU A 77 17.427 5.721 -5.570 1.00 0.00 C ATOM 1221 C GLU A 77 16.175 5.242 -4.867 1.00 0.00 C ATOM 1222 O GLU A 77 15.166 5.927 -4.848 1.00 0.00 O ATOM 1223 CB GLU A 77 17.995 4.673 -6.525 1.00 0.00 C ATOM 1224 CG GLU A 77 19.328 5.109 -7.124 1.00 0.00 C ATOM 1225 CD GLU A 77 19.988 4.057 -7.984 1.00 0.00 C ATOM 1226 OE1 GLU A 77 20.617 3.134 -7.421 1.00 0.00 O ATOM 1227 OE2 GLU A 77 19.921 4.169 -9.224 1.00 0.00 O ATOM 0 H GLU A 77 19.360 5.699 -4.771 1.00 0.00 H new ATOM 0 HA GLU A 77 17.166 6.595 -6.167 1.00 0.00 H new ATOM 0 HB2 GLU A 77 18.128 3.731 -5.993 1.00 0.00 H new ATOM 0 HB3 GLU A 77 17.280 4.488 -7.327 1.00 0.00 H new ATOM 0 HG2 GLU A 77 19.170 6.006 -7.723 1.00 0.00 H new ATOM 0 HG3 GLU A 77 20.007 5.381 -6.315 1.00 0.00 H new ATOM 1234 N LYS A 78 16.278 4.102 -4.236 1.00 0.00 N ATOM 1235 CA LYS A 78 15.262 3.662 -3.303 1.00 0.00 C ATOM 1236 C LYS A 78 15.852 2.773 -2.228 1.00 0.00 C ATOM 1237 O LYS A 78 17.057 2.528 -2.194 1.00 0.00 O ATOM 1238 CB LYS A 78 14.088 2.984 -3.981 1.00 0.00 C ATOM 1239 CG LYS A 78 13.055 3.961 -4.485 1.00 0.00 C ATOM 1240 CD LYS A 78 12.267 4.588 -3.342 1.00 0.00 C ATOM 1241 CE LYS A 78 11.436 5.778 -3.807 1.00 0.00 C ATOM 1242 NZ LYS A 78 10.430 5.409 -4.842 1.00 0.00 N ATOM 0 H LYS A 78 17.058 3.455 -4.349 1.00 0.00 H new ATOM 0 HA LYS A 78 14.871 4.564 -2.832 1.00 0.00 H new ATOM 0 HB2 LYS A 78 14.453 2.386 -4.816 1.00 0.00 H new ATOM 0 HB3 LYS A 78 13.617 2.296 -3.279 1.00 0.00 H new ATOM 0 HG2 LYS A 78 13.546 4.745 -5.061 1.00 0.00 H new ATOM 0 HG3 LYS A 78 12.370 3.450 -5.162 1.00 0.00 H new ATOM 0 HD2 LYS A 78 11.611 3.838 -2.900 1.00 0.00 H new ATOM 0 HD3 LYS A 78 12.955 4.910 -2.561 1.00 0.00 H new ATOM 0 HE2 LYS A 78 10.925 6.216 -2.950 1.00 0.00 H new ATOM 0 HE3 LYS A 78 12.099 6.544 -4.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 10.516 6.052 -5.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 10.597 4.431 -5.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 9.474 5.486 -4.440 1.00 0.00 H new ATOM 1256 N ILE A 79 14.977 2.283 -1.371 1.00 0.00 N ATOM 1257 CA ILE A 79 15.351 1.747 -0.077 1.00 0.00 C ATOM 1258 C ILE A 79 14.275 0.800 0.401 1.00 0.00 C ATOM 1259 O ILE A 79 13.235 0.666 -0.244 1.00 0.00 O ATOM 1260 CB ILE A 79 15.556 2.854 1.006 1.00 0.00 C ATOM 1261 CG1 ILE A 79 14.319 3.759 1.174 1.00 0.00 C ATOM 1262 CG2 ILE A 79 16.789 3.690 0.720 1.00 0.00 C ATOM 1263 CD1 ILE A 79 13.887 4.510 -0.073 1.00 0.00 C ATOM 0 H ILE A 79 13.975 2.246 -1.556 1.00 0.00 H new ATOM 0 HA ILE A 79 16.304 1.234 -0.210 1.00 0.00 H new ATOM 0 HB ILE A 79 15.703 2.329 1.950 1.00 0.00 H new ATOM 0 HG12 ILE A 79 13.485 3.146 1.515 1.00 0.00 H new ATOM 0 HG13 ILE A 79 14.525 4.484 1.961 1.00 0.00 H new ATOM 0 HG21 ILE A 79 16.901 4.450 1.493 1.00 0.00 H new ATOM 0 HG22 ILE A 79 17.670 3.048 0.712 1.00 0.00 H new ATOM 0 HG23 ILE A 79 16.684 4.173 -0.251 1.00 0.00 H new ATOM 0 HD11 ILE A 79 13.010 5.116 0.153 1.00 0.00 H new ATOM 0 HD12 ILE A 79 14.698 5.156 -0.408 1.00 0.00 H new ATOM 0 HD13 ILE A 79 13.642 3.797 -0.861 1.00 0.00 H new ATOM 1275 N SER A 80 14.564 0.145 1.510 1.00 0.00 N ATOM 1276 CA SER A 80 13.622 -0.813 2.085 1.00 0.00 C ATOM 1277 C SER A 80 12.336 -0.108 2.543 1.00 0.00 C ATOM 1278 O SER A 80 12.181 0.285 3.700 1.00 0.00 O ATOM 1279 CB SER A 80 14.270 -1.577 3.243 1.00 0.00 C ATOM 1280 OG SER A 80 14.932 -0.697 4.137 1.00 0.00 O ATOM 0 H SER A 80 15.434 0.253 2.031 1.00 0.00 H new ATOM 0 HA SER A 80 13.352 -1.533 1.312 1.00 0.00 H new ATOM 0 HB2 SER A 80 13.507 -2.140 3.782 1.00 0.00 H new ATOM 0 HB3 SER A 80 14.982 -2.302 2.849 1.00 0.00 H new ATOM 0 HG SER A 80 14.328 0.035 4.383 1.00 0.00 H new ATOM 1286 N LYS A 81 11.423 0.050 1.584 1.00 0.00 N ATOM 1287 CA LYS A 81 10.113 0.629 1.821 1.00 0.00 C ATOM 1288 C LYS A 81 8.994 -0.354 1.526 1.00 0.00 C ATOM 1289 O LYS A 81 9.219 -1.392 0.909 1.00 0.00 O ATOM 1290 CB LYS A 81 9.934 1.819 0.893 1.00 0.00 C ATOM 1291 CG LYS A 81 11.103 2.752 0.903 1.00 0.00 C ATOM 1292 CD LYS A 81 10.780 4.014 1.643 1.00 0.00 C ATOM 1293 CE LYS A 81 9.731 3.800 2.709 1.00 0.00 C ATOM 1294 NZ LYS A 81 9.402 5.051 3.441 1.00 0.00 N ATOM 0 H LYS A 81 11.580 -0.225 0.614 1.00 0.00 H new ATOM 0 HA LYS A 81 10.061 0.915 2.872 1.00 0.00 H new ATOM 0 HB2 LYS A 81 9.773 1.459 -0.123 1.00 0.00 H new ATOM 0 HB3 LYS A 81 9.037 2.367 1.183 1.00 0.00 H new ATOM 0 HG2 LYS A 81 11.959 2.263 1.368 1.00 0.00 H new ATOM 0 HG3 LYS A 81 11.390 2.991 -0.121 1.00 0.00 H new ATOM 0 HD2 LYS A 81 11.687 4.406 2.103 1.00 0.00 H new ATOM 0 HD3 LYS A 81 10.430 4.767 0.937 1.00 0.00 H new ATOM 0 HE2 LYS A 81 8.826 3.403 2.249 1.00 0.00 H new ATOM 0 HE3 LYS A 81 10.084 3.050 3.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 8.678 4.852 4.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 10.258 5.418 3.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 9.039 5.759 2.772 1.00 0.00 H new ATOM 1308 N PRO A 82 7.773 -0.016 1.961 1.00 0.00 N ATOM 1309 CA PRO A 82 6.554 -0.723 1.574 1.00 0.00 C ATOM 1310 C PRO A 82 6.119 -0.313 0.167 1.00 0.00 C ATOM 1311 O PRO A 82 5.996 0.869 -0.133 1.00 0.00 O ATOM 1312 CB PRO A 82 5.527 -0.272 2.643 1.00 0.00 C ATOM 1313 CG PRO A 82 6.328 0.480 3.655 1.00 0.00 C ATOM 1314 CD PRO A 82 7.469 1.070 2.894 1.00 0.00 C ATOM 0 HA PRO A 82 6.672 -1.806 1.538 1.00 0.00 H new ATOM 0 HB2 PRO A 82 4.752 0.358 2.205 1.00 0.00 H new ATOM 0 HB3 PRO A 82 5.025 -1.128 3.094 1.00 0.00 H new ATOM 0 HG2 PRO A 82 5.730 1.256 4.132 1.00 0.00 H new ATOM 0 HG3 PRO A 82 6.682 -0.181 4.446 1.00 0.00 H new ATOM 0 HD2 PRO A 82 7.190 1.990 2.380 1.00 0.00 H new ATOM 0 HD3 PRO A 82 8.315 1.309 3.538 1.00 0.00 H new ATOM 1322 N PHE A 83 5.890 -1.291 -0.690 1.00 0.00 N ATOM 1323 CA PHE A 83 5.573 -1.042 -2.081 1.00 0.00 C ATOM 1324 C PHE A 83 4.303 -1.753 -2.426 1.00 0.00 C ATOM 1325 O PHE A 83 4.182 -2.957 -2.221 1.00 0.00 O ATOM 1326 CB PHE A 83 6.687 -1.543 -2.980 1.00 0.00 C ATOM 1327 CG PHE A 83 8.017 -0.987 -2.607 1.00 0.00 C ATOM 1328 CD1 PHE A 83 8.183 0.369 -2.387 1.00 0.00 C ATOM 1329 CD2 PHE A 83 9.090 -1.829 -2.430 1.00 0.00 C ATOM 1330 CE1 PHE A 83 9.403 0.873 -2.001 1.00 0.00 C ATOM 1331 CE2 PHE A 83 10.309 -1.337 -2.042 1.00 0.00 C ATOM 1332 CZ PHE A 83 10.470 0.018 -1.822 1.00 0.00 C ATOM 0 H PHE A 83 5.919 -2.279 -0.440 1.00 0.00 H new ATOM 0 HA PHE A 83 5.458 0.031 -2.232 1.00 0.00 H new ATOM 0 HB2 PHE A 83 6.726 -2.631 -2.932 1.00 0.00 H new ATOM 0 HB3 PHE A 83 6.463 -1.277 -4.013 1.00 0.00 H new ATOM 0 HD1 PHE A 83 7.346 1.038 -2.520 1.00 0.00 H new ATOM 0 HD2 PHE A 83 8.971 -2.889 -2.599 1.00 0.00 H new ATOM 0 HE1 PHE A 83 9.525 1.934 -1.839 1.00 0.00 H new ATOM 0 HE2 PHE A 83 11.144 -2.008 -1.908 1.00 0.00 H new ATOM 0 HZ PHE A 83 11.429 0.406 -1.511 1.00 0.00 H new ATOM 1342 N VAL A 84 3.343 -1.010 -2.907 1.00 0.00 N ATOM 1343 CA VAL A 84 2.048 -1.574 -3.151 1.00 0.00 C ATOM 1344 C VAL A 84 1.669 -1.472 -4.614 1.00 0.00 C ATOM 1345 O VAL A 84 1.784 -0.407 -5.228 1.00 0.00 O ATOM 1346 CB VAL A 84 1.002 -0.865 -2.296 1.00 0.00 C ATOM 1347 CG1 VAL A 84 -0.081 -1.809 -1.929 1.00 0.00 C ATOM 1348 CG2 VAL A 84 1.638 -0.276 -1.062 1.00 0.00 C ATOM 0 H VAL A 84 3.434 -0.020 -3.136 1.00 0.00 H new ATOM 0 HA VAL A 84 2.085 -2.630 -2.883 1.00 0.00 H new ATOM 0 HB VAL A 84 0.570 -0.050 -2.876 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -0.822 -1.293 -1.319 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.556 -2.188 -2.834 1.00 0.00 H new ATOM 0 HG13 VAL A 84 0.338 -2.642 -1.364 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.877 0.226 -0.464 1.00 0.00 H new ATOM 0 HG22 VAL A 84 2.095 -1.071 -0.474 1.00 0.00 H new ATOM 0 HG23 VAL A 84 2.402 0.444 -1.355 1.00 0.00 H new ATOM 1358 N LYS A 85 1.268 -2.595 -5.170 1.00 0.00 N ATOM 1359 CA LYS A 85 0.831 -2.656 -6.552 1.00 0.00 C ATOM 1360 C LYS A 85 -0.677 -2.801 -6.629 1.00 0.00 C ATOM 1361 O LYS A 85 -1.316 -3.109 -5.642 1.00 0.00 O ATOM 1362 CB LYS A 85 1.513 -3.811 -7.293 1.00 0.00 C ATOM 1363 CG LYS A 85 0.838 -5.159 -7.086 1.00 0.00 C ATOM 1364 CD LYS A 85 1.403 -6.208 -8.029 1.00 0.00 C ATOM 1365 CE LYS A 85 0.517 -7.441 -8.093 1.00 0.00 C ATOM 1366 NZ LYS A 85 1.036 -8.443 -9.058 1.00 0.00 N ATOM 0 H LYS A 85 1.235 -3.489 -4.681 1.00 0.00 H new ATOM 0 HA LYS A 85 1.118 -1.722 -7.036 1.00 0.00 H new ATOM 0 HB2 LYS A 85 1.532 -3.585 -8.359 1.00 0.00 H new ATOM 0 HB3 LYS A 85 2.550 -3.880 -6.963 1.00 0.00 H new ATOM 0 HG2 LYS A 85 0.975 -5.482 -6.054 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -0.235 -5.060 -7.249 1.00 0.00 H new ATOM 0 HD2 LYS A 85 1.507 -5.782 -9.027 1.00 0.00 H new ATOM 0 HD3 LYS A 85 2.402 -6.494 -7.699 1.00 0.00 H new ATOM 0 HE2 LYS A 85 0.449 -7.891 -7.103 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -0.493 -7.148 -8.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 0.405 -9.269 -9.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 1.078 -8.021 -10.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 1.990 -8.741 -8.770 1.00 0.00 H new ATOM 1380 N LYS A 86 -1.231 -2.663 -7.820 1.00 0.00 N ATOM 1381 CA LYS A 86 -2.679 -2.601 -7.963 1.00 0.00 C ATOM 1382 C LYS A 86 -3.164 -3.885 -8.622 1.00 0.00 C ATOM 1383 O LYS A 86 -2.967 -4.099 -9.821 1.00 0.00 O ATOM 1384 CB LYS A 86 -3.106 -1.382 -8.783 1.00 0.00 C ATOM 1385 CG LYS A 86 -4.601 -1.343 -9.074 1.00 0.00 C ATOM 1386 CD LYS A 86 -4.986 -0.123 -9.890 1.00 0.00 C ATOM 1387 CE LYS A 86 -4.897 1.152 -9.068 1.00 0.00 C ATOM 1388 NZ LYS A 86 -5.121 2.361 -9.901 1.00 0.00 N ATOM 0 H LYS A 86 -0.710 -2.592 -8.694 1.00 0.00 H new ATOM 0 HA LYS A 86 -3.129 -2.500 -6.975 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -2.824 -0.476 -8.247 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -2.559 -1.378 -9.726 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -4.890 -2.246 -9.612 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -5.154 -1.341 -8.135 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -4.331 -0.044 -10.758 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -6.002 -0.243 -10.267 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -5.635 1.120 -8.267 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -3.917 1.212 -8.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -5.053 3.211 -9.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -4.401 2.405 -10.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -6.067 2.316 -10.332 1.00 0.00 H new ATOM 1402 N GLU A 87 -3.787 -4.742 -7.831 1.00 0.00 N ATOM 1403 CA GLU A 87 -4.149 -6.072 -8.300 1.00 0.00 C ATOM 1404 C GLU A 87 -5.620 -6.155 -8.688 1.00 0.00 C ATOM 1405 O GLU A 87 -6.057 -7.158 -9.258 1.00 0.00 O ATOM 1406 CB GLU A 87 -3.811 -7.125 -7.240 1.00 0.00 C ATOM 1407 CG GLU A 87 -4.779 -7.183 -6.068 1.00 0.00 C ATOM 1408 CD GLU A 87 -5.528 -8.502 -6.010 1.00 0.00 C ATOM 1409 OE1 GLU A 87 -4.866 -9.556 -5.873 1.00 0.00 O ATOM 1410 OE2 GLU A 87 -6.772 -8.496 -6.095 1.00 0.00 O ATOM 0 H GLU A 87 -4.052 -4.544 -6.866 1.00 0.00 H new ATOM 0 HA GLU A 87 -3.563 -6.275 -9.197 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -3.781 -8.104 -7.717 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -2.810 -6.927 -6.857 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -4.230 -7.037 -5.138 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -5.494 -6.364 -6.148 1.00 0.00 H new ATOM 1417 N ARG A 88 -6.370 -5.092 -8.420 1.00 0.00 N ATOM 1418 CA ARG A 88 -7.801 -5.091 -8.689 1.00 0.00 C ATOM 1419 C ARG A 88 -8.391 -3.729 -8.373 1.00 0.00 C ATOM 1420 O ARG A 88 -7.775 -2.927 -7.668 1.00 0.00 O ATOM 1421 CB ARG A 88 -8.504 -6.163 -7.852 1.00 0.00 C ATOM 1422 CG ARG A 88 -9.781 -6.698 -8.478 1.00 0.00 C ATOM 1423 CD ARG A 88 -10.369 -7.833 -7.658 1.00 0.00 C ATOM 1424 NE ARG A 88 -11.043 -7.358 -6.449 1.00 0.00 N ATOM 1425 CZ ARG A 88 -10.661 -7.669 -5.210 1.00 0.00 C ATOM 1426 NH1 ARG A 88 -9.534 -8.338 -5.001 1.00 0.00 N ATOM 1427 NH2 ARG A 88 -11.395 -7.286 -4.171 1.00 0.00 N ATOM 0 H ARG A 88 -6.012 -4.225 -8.019 1.00 0.00 H new ATOM 0 HA ARG A 88 -7.953 -5.312 -9.746 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -7.816 -6.993 -7.691 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -8.738 -5.748 -6.872 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -10.511 -5.893 -8.563 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -9.573 -7.048 -9.489 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -11.078 -8.391 -8.270 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -9.575 -8.526 -7.379 1.00 0.00 H new ATOM 0 HE ARG A 88 -11.855 -6.751 -6.561 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -8.953 -8.618 -5.791 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -9.249 -8.572 -4.050 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -12.252 -6.753 -4.321 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -11.102 -7.525 -3.224 1.00 0.00 H new ATOM 1441 N ILE A 89 -9.574 -3.464 -8.904 1.00 0.00 N ATOM 1442 CA ILE A 89 -10.304 -2.255 -8.571 1.00 0.00 C ATOM 1443 C ILE A 89 -11.752 -2.586 -8.227 1.00 0.00 C ATOM 1444 O ILE A 89 -12.379 -3.449 -8.843 1.00 0.00 O ATOM 1445 CB ILE A 89 -10.227 -1.187 -9.696 1.00 0.00 C ATOM 1446 CG1 ILE A 89 -8.848 -0.517 -9.684 1.00 0.00 C ATOM 1447 CG2 ILE A 89 -11.322 -0.134 -9.549 1.00 0.00 C ATOM 1448 CD1 ILE A 89 -8.504 0.151 -8.362 1.00 0.00 C ATOM 0 H ILE A 89 -10.049 -4.074 -9.570 1.00 0.00 H new ATOM 0 HA ILE A 89 -9.826 -1.818 -7.694 1.00 0.00 H new ATOM 0 HB ILE A 89 -10.379 -1.693 -10.650 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -8.089 -1.265 -9.911 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -8.809 0.228 -10.478 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -11.235 0.596 -10.354 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -12.299 -0.615 -9.599 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -11.215 0.371 -8.589 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -7.514 0.603 -8.429 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -9.241 0.923 -8.142 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -8.509 -0.594 -7.566 1.00 0.00 H new ATOM 1460 N GLU A 90 -12.249 -1.879 -7.235 1.00 0.00 N ATOM 1461 CA GLU A 90 -13.554 -2.129 -6.665 1.00 0.00 C ATOM 1462 C GLU A 90 -14.391 -0.868 -6.614 1.00 0.00 C ATOM 1463 O GLU A 90 -13.950 0.216 -6.994 1.00 0.00 O ATOM 1464 CB GLU A 90 -13.425 -2.685 -5.256 1.00 0.00 C ATOM 1465 CG GLU A 90 -12.826 -4.068 -5.191 1.00 0.00 C ATOM 1466 CD GLU A 90 -13.668 -5.108 -5.896 1.00 0.00 C ATOM 1467 OE1 GLU A 90 -14.831 -5.297 -5.497 1.00 0.00 O ATOM 1468 OE2 GLU A 90 -13.163 -5.751 -6.834 1.00 0.00 O ATOM 0 H GLU A 90 -11.751 -1.104 -6.796 1.00 0.00 H new ATOM 0 HA GLU A 90 -14.048 -2.857 -7.309 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -12.810 -2.007 -4.664 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -14.412 -2.706 -4.794 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -11.832 -4.049 -5.638 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -12.701 -4.356 -4.147 1.00 0.00 H new ATOM 1475 N LYS A 91 -15.602 -1.047 -6.129 1.00 0.00 N ATOM 1476 CA LYS A 91 -16.563 0.028 -5.914 1.00 0.00 C ATOM 1477 C LYS A 91 -17.347 -0.316 -4.660 1.00 0.00 C ATOM 1478 O LYS A 91 -17.203 -1.427 -4.145 1.00 0.00 O ATOM 1479 CB LYS A 91 -17.512 0.168 -7.110 1.00 0.00 C ATOM 1480 CG LYS A 91 -16.829 0.633 -8.389 1.00 0.00 C ATOM 1481 CD LYS A 91 -17.782 0.620 -9.576 1.00 0.00 C ATOM 1482 CE LYS A 91 -18.253 -0.789 -9.897 1.00 0.00 C ATOM 1483 NZ LYS A 91 -19.108 -0.832 -11.114 1.00 0.00 N ATOM 0 H LYS A 91 -15.959 -1.965 -5.865 1.00 0.00 H new ATOM 0 HA LYS A 91 -16.044 0.980 -5.803 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -17.992 -0.793 -7.295 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -18.302 0.874 -6.854 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -16.439 1.641 -8.247 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -15.976 -0.012 -8.601 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -18.643 1.252 -9.359 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -17.285 1.046 -10.448 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -17.387 -1.436 -10.040 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -18.811 -1.186 -9.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -19.406 -1.812 -11.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -19.948 -0.236 -10.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -18.569 -0.478 -11.930 1.00 0.00 H new ATOM 1497 N LEU A 92 -18.138 0.597 -4.117 1.00 0.00 N ATOM 1498 CA LEU A 92 -18.998 0.234 -3.012 1.00 0.00 C ATOM 1499 C LEU A 92 -20.272 -0.353 -3.580 1.00 0.00 C ATOM 1500 O LEU A 92 -20.523 -0.240 -4.785 1.00 0.00 O ATOM 1501 CB LEU A 92 -19.327 1.447 -2.159 1.00 0.00 C ATOM 1502 CG LEU A 92 -18.133 2.110 -1.488 1.00 0.00 C ATOM 1503 CD1 LEU A 92 -18.590 3.339 -0.731 1.00 0.00 C ATOM 1504 CD2 LEU A 92 -17.430 1.137 -0.555 1.00 0.00 C ATOM 0 H LEU A 92 -18.200 1.570 -4.417 1.00 0.00 H new ATOM 0 HA LEU A 92 -18.489 -0.492 -2.378 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -19.829 2.186 -2.784 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -20.037 1.147 -1.388 1.00 0.00 H new ATOM 0 HG LEU A 92 -17.421 2.411 -2.256 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -17.732 3.811 -0.252 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -19.051 4.043 -1.424 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -19.316 3.049 0.029 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -16.580 1.632 -0.086 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -18.126 0.804 0.215 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -17.080 0.276 -1.124 1.00 0.00 H new ATOM 1516 N GLU A 93 -21.085 -0.964 -2.747 1.00 0.00 N ATOM 1517 CA GLU A 93 -22.315 -1.565 -3.221 1.00 0.00 C ATOM 1518 C GLU A 93 -23.331 -1.612 -2.086 1.00 0.00 C ATOM 1519 O GLU A 93 -23.976 -0.577 -1.834 1.00 0.00 O ATOM 1520 CB GLU A 93 -22.040 -2.969 -3.765 1.00 0.00 C ATOM 1521 CG GLU A 93 -23.241 -3.613 -4.433 1.00 0.00 C ATOM 1522 CD GLU A 93 -22.931 -4.993 -4.962 1.00 0.00 C ATOM 1523 OE1 GLU A 93 -23.004 -5.968 -4.181 1.00 0.00 O ATOM 1524 OE2 GLU A 93 -22.608 -5.115 -6.160 1.00 0.00 O ATOM 1525 OXT GLU A 93 -23.463 -2.670 -1.434 1.00 0.00 O ATOM 0 H GLU A 93 -20.920 -1.058 -1.745 1.00 0.00 H new ATOM 0 HA GLU A 93 -22.724 -0.962 -4.031 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -21.221 -2.917 -4.483 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -21.706 -3.607 -2.947 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -24.061 -3.676 -3.718 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -23.581 -2.980 -5.253 1.00 0.00 H new TER 1532 GLU A 93