USER MOD reduce.3.24.130724 H: found=0, std=0, add=977, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 975 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 103 MET CE :methyl -139:sc= -0.125 (180deg=-1.01) USER MOD Set 1.2: A 106 THR OG1 : rot 110:sc= -0.107 USER MOD Set 2.1: A 82 LYS NZ :NH3+ -133:sc= -0.545 (180deg=-3.95!) USER MOD Set 2.2: A 97 ASN : amide:sc= -0.032 K(o=-0.58,f=-7.7!) USER MOD Single : A 3 SER OG : rot 180:sc= -0.0551 USER MOD Single : A 4 ASN : amide:sc= -0.259 X(o=-0.26,f=-0.015) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -147:sc= -0.0627 (180deg=-1.28) USER MOD Single : A 26 HIS : no HD1:sc= -0.158 X(o=-0.16,f=-0.42) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= 0.197 X(o=0.2,f=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot -63:sc= 1.19 USER MOD Single : A 43 MET CE :methyl -109:sc= -5.15! (180deg=-6.8!) USER MOD Single : A 44 ASN : amide:sc= -1.08 K(o=-1.1,f=-0.24) USER MOD Single : A 49 LYS NZ :NH3+ -128:sc= 0.191 (180deg=-1.34!) USER MOD Single : A 57 GLN : amide:sc= -0.428 X(o=-0.43,f=-0.033) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= -0.143 X(o=-0.14,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot -81:sc= 1.1 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 HIS : no HD1:sc= -0.1 X(o=-0.1,f=-0.017) USER MOD Single : A 95 ASN : amide:sc= -0.0544 K(o=-0.054,f=-0.91) USER MOD Single : A 96 THR OG1 : rot 180:sc= -0.607 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 166:sc= -0.0172 (180deg=-0.195) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0223) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 LYS NZ :NH3+ 160:sc= 0.0588 (180deg=0.00903) USER MOD Single : A 117 HIS : no HE2:sc= -0.572 K(o=-0.57,f=-1.6) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 3 -1.357 -1.864 -0.559 1.00 54.20 N ATOM 2 CA SER A 3 -0.149 -2.289 -1.256 1.00 52.21 C ATOM 3 C SER A 3 -0.336 -2.205 -2.768 1.00 12.01 C ATOM 4 O SER A 3 -1.177 -2.897 -3.339 1.00 71.54 O ATOM 5 CB SER A 3 0.220 -3.718 -0.855 1.00 24.10 C ATOM 6 OG SER A 3 1.133 -4.287 -1.778 1.00 31.01 O ATOM 0 HA SER A 3 0.661 -1.618 -0.970 1.00 52.21 H new ATOM 0 HB2 SER A 3 0.659 -3.717 0.142 1.00 24.10 H new ATOM 0 HB3 SER A 3 -0.681 -4.329 -0.806 1.00 24.10 H new ATOM 0 HG SER A 3 1.354 -5.200 -1.499 1.00 31.01 H new ATOM 12 N ASN A 4 0.455 -1.351 -3.409 1.00 52.22 N ATOM 13 CA ASN A 4 0.377 -1.175 -4.855 1.00 11.21 C ATOM 14 C ASN A 4 1.451 -1.996 -5.562 1.00 2.15 C ATOM 15 O ASN A 4 1.149 -2.824 -6.420 1.00 22.52 O ATOM 16 CB ASN A 4 0.528 0.304 -5.218 1.00 74.34 C ATOM 17 CG ASN A 4 0.870 0.507 -6.682 1.00 0.33 C ATOM 18 OD1 ASN A 4 1.769 1.278 -7.019 1.00 13.21 O ATOM 19 ND2 ASN A 4 0.153 -0.185 -7.559 1.00 34.12 N ATOM 0 H ASN A 4 1.157 -0.770 -2.951 1.00 52.22 H new ATOM 0 HA ASN A 4 -0.600 -1.526 -5.187 1.00 11.21 H new ATOM 0 HB2 ASN A 4 -0.399 0.828 -4.988 1.00 74.34 H new ATOM 0 HB3 ASN A 4 1.308 0.749 -4.600 1.00 74.34 H new ATOM 0 HD21 ASN A 4 0.338 -0.089 -8.558 1.00 34.12 H new ATOM 0 HD22 ASN A 4 -0.583 -0.813 -7.234 1.00 34.12 H new ATOM 26 N ALA A 5 2.706 -1.760 -5.194 1.00 2.24 N ATOM 27 CA ALA A 5 3.825 -2.479 -5.790 1.00 2.22 C ATOM 28 C ALA A 5 4.451 -3.446 -4.791 1.00 5.55 C ATOM 29 O ALA A 5 5.553 -3.950 -5.006 1.00 53.33 O ATOM 30 CB ALA A 5 4.869 -1.498 -6.304 1.00 30.33 C ATOM 0 H ALA A 5 2.973 -1.076 -4.486 1.00 2.24 H new ATOM 0 HA ALA A 5 3.445 -3.061 -6.630 1.00 2.22 H new ATOM 0 HB1 ALA A 5 5.699 -2.049 -6.747 1.00 30.33 H new ATOM 0 HB2 ALA A 5 4.420 -0.851 -7.057 1.00 30.33 H new ATOM 0 HB3 ALA A 5 5.236 -0.891 -5.477 1.00 30.33 H new ATOM 36 N GLY A 6 3.742 -3.699 -3.695 1.00 31.40 N ATOM 37 CA GLY A 6 4.245 -4.604 -2.678 1.00 63.54 C ATOM 38 C GLY A 6 4.276 -6.045 -3.148 1.00 73.25 C ATOM 39 O GLY A 6 5.125 -6.827 -2.721 1.00 51.32 O ATOM 0 H GLY A 6 2.828 -3.293 -3.493 1.00 31.40 H new ATOM 0 HA2 GLY A 6 5.250 -4.298 -2.389 1.00 63.54 H new ATOM 0 HA3 GLY A 6 3.620 -4.529 -1.788 1.00 63.54 H new ATOM 43 N ALA A 7 3.346 -6.398 -4.030 1.00 35.34 N ATOM 44 CA ALA A 7 3.269 -7.755 -4.558 1.00 45.41 C ATOM 45 C ALA A 7 4.404 -8.025 -5.540 1.00 70.44 C ATOM 46 O ALA A 7 5.055 -9.069 -5.479 1.00 75.11 O ATOM 47 CB ALA A 7 1.923 -7.985 -5.227 1.00 72.55 C ATOM 0 H ALA A 7 2.636 -5.763 -4.394 1.00 35.34 H new ATOM 0 HA ALA A 7 3.371 -8.450 -3.725 1.00 45.41 H new ATOM 0 HB1 ALA A 7 1.879 -9.002 -5.617 1.00 72.55 H new ATOM 0 HB2 ALA A 7 1.125 -7.841 -4.498 1.00 72.55 H new ATOM 0 HB3 ALA A 7 1.798 -7.277 -6.046 1.00 72.55 H new ATOM 53 N ILE A 8 4.635 -7.080 -6.445 1.00 62.21 N ATOM 54 CA ILE A 8 5.692 -7.218 -7.440 1.00 14.30 C ATOM 55 C ILE A 8 7.068 -7.045 -6.807 1.00 43.14 C ATOM 56 O ILE A 8 8.023 -7.727 -7.179 1.00 2.44 O ATOM 57 CB ILE A 8 5.530 -6.193 -8.578 1.00 72.13 C ATOM 58 CG1 ILE A 8 4.143 -6.318 -9.213 1.00 1.21 C ATOM 59 CG2 ILE A 8 6.617 -6.388 -9.625 1.00 33.02 C ATOM 60 CD1 ILE A 8 3.123 -5.367 -8.627 1.00 72.02 C ATOM 0 H ILE A 8 4.105 -6.211 -6.510 1.00 62.21 H new ATOM 0 HA ILE A 8 5.609 -8.223 -7.853 1.00 14.30 H new ATOM 0 HB ILE A 8 5.629 -5.191 -8.161 1.00 72.13 H new ATOM 0 HG12 ILE A 8 4.225 -6.135 -10.284 1.00 1.21 H new ATOM 0 HG13 ILE A 8 3.787 -7.341 -9.090 1.00 1.21 H new ATOM 0 HG21 ILE A 8 6.489 -5.656 -10.423 1.00 33.02 H new ATOM 0 HG22 ILE A 8 7.595 -6.254 -9.163 1.00 33.02 H new ATOM 0 HG23 ILE A 8 6.546 -7.393 -10.040 1.00 33.02 H new ATOM 0 HD11 ILE A 8 2.164 -5.511 -9.124 1.00 72.02 H new ATOM 0 HD12 ILE A 8 3.012 -5.564 -7.561 1.00 72.02 H new ATOM 0 HD13 ILE A 8 3.457 -4.340 -8.773 1.00 72.02 H new ATOM 72 N ALA A 9 7.162 -6.129 -5.849 1.00 22.44 N ATOM 73 CA ALA A 9 8.421 -5.869 -5.161 1.00 71.41 C ATOM 74 C ALA A 9 8.845 -7.068 -4.320 1.00 34.44 C ATOM 75 O ALA A 9 10.035 -7.319 -4.132 1.00 4.35 O ATOM 76 CB ALA A 9 8.300 -4.627 -4.291 1.00 21.44 C ATOM 0 H ALA A 9 6.381 -5.554 -5.531 1.00 22.44 H new ATOM 0 HA ALA A 9 9.190 -5.698 -5.914 1.00 71.41 H new ATOM 0 HB1 ALA A 9 9.247 -4.445 -3.783 1.00 21.44 H new ATOM 0 HB2 ALA A 9 8.052 -3.768 -4.915 1.00 21.44 H new ATOM 0 HB3 ALA A 9 7.514 -4.777 -3.550 1.00 21.44 H new ATOM 82 N LYS A 10 7.863 -7.807 -3.814 1.00 73.22 N ATOM 83 CA LYS A 10 8.133 -8.981 -2.993 1.00 32.05 C ATOM 84 C LYS A 10 8.767 -10.092 -3.823 1.00 73.41 C ATOM 85 O LYS A 10 9.333 -11.042 -3.280 1.00 1.44 O ATOM 86 CB LYS A 10 6.840 -9.486 -2.347 1.00 42.14 C ATOM 87 CG LYS A 10 7.060 -10.593 -1.331 1.00 12.44 C ATOM 88 CD LYS A 10 5.964 -10.608 -0.278 1.00 20.20 C ATOM 89 CE LYS A 10 6.286 -9.670 0.875 1.00 34.03 C ATOM 90 NZ LYS A 10 5.282 -9.773 1.970 1.00 14.42 N ATOM 0 H LYS A 10 6.872 -7.613 -3.959 1.00 73.22 H new ATOM 0 HA LYS A 10 8.834 -8.692 -2.210 1.00 32.05 H new ATOM 0 HB2 LYS A 10 6.337 -8.651 -1.859 1.00 42.14 H new ATOM 0 HB3 LYS A 10 6.171 -9.848 -3.128 1.00 42.14 H new ATOM 0 HG2 LYS A 10 7.089 -11.556 -1.841 1.00 12.44 H new ATOM 0 HG3 LYS A 10 8.028 -10.458 -0.848 1.00 12.44 H new ATOM 0 HD2 LYS A 10 5.017 -10.316 -0.733 1.00 20.20 H new ATOM 0 HD3 LYS A 10 5.836 -11.622 0.101 1.00 20.20 H new ATOM 0 HE2 LYS A 10 7.276 -9.903 1.267 1.00 34.03 H new ATOM 0 HE3 LYS A 10 6.321 -8.644 0.510 1.00 34.03 H new ATOM 0 HZ1 LYS A 10 5.536 -9.118 2.737 1.00 14.42 H new ATOM 0 HZ2 LYS A 10 4.341 -9.526 1.602 1.00 14.42 H new ATOM 0 HZ3 LYS A 10 5.266 -10.746 2.336 1.00 14.42 H new ATOM 104 N LEU A 11 8.669 -9.968 -5.142 1.00 41.10 N ATOM 105 CA LEU A 11 9.235 -10.961 -6.048 1.00 73.52 C ATOM 106 C LEU A 11 10.737 -10.755 -6.214 1.00 53.53 C ATOM 107 O LEU A 11 11.470 -11.690 -6.535 1.00 23.21 O ATOM 108 CB LEU A 11 8.544 -10.889 -7.411 1.00 45.34 C ATOM 109 CG LEU A 11 7.031 -10.670 -7.387 1.00 23.23 C ATOM 110 CD1 LEU A 11 6.497 -10.478 -8.797 1.00 74.04 C ATOM 111 CD2 LEU A 11 6.335 -11.839 -6.705 1.00 13.20 C ATOM 0 H LEU A 11 8.203 -9.190 -5.608 1.00 41.10 H new ATOM 0 HA LEU A 11 9.069 -11.948 -5.615 1.00 73.52 H new ATOM 0 HB2 LEU A 11 8.999 -10.081 -7.984 1.00 45.34 H new ATOM 0 HB3 LEU A 11 8.748 -11.815 -7.949 1.00 45.34 H new ATOM 0 HG LEU A 11 6.822 -9.765 -6.816 1.00 23.23 H new ATOM 0 HD11 LEU A 11 5.419 -10.324 -8.760 1.00 74.04 H new ATOM 0 HD12 LEU A 11 6.973 -9.609 -9.251 1.00 74.04 H new ATOM 0 HD13 LEU A 11 6.716 -11.364 -9.393 1.00 74.04 H new ATOM 0 HD21 LEU A 11 5.259 -11.667 -6.697 1.00 13.20 H new ATOM 0 HD22 LEU A 11 6.551 -12.759 -7.249 1.00 13.20 H new ATOM 0 HD23 LEU A 11 6.696 -11.930 -5.681 1.00 13.20 H new ATOM 123 N ILE A 12 11.187 -9.524 -5.992 1.00 63.43 N ATOM 124 CA ILE A 12 12.602 -9.196 -6.114 1.00 63.12 C ATOM 125 C ILE A 12 13.450 -10.068 -5.195 1.00 22.35 C ATOM 126 O ILE A 12 14.356 -10.778 -5.632 1.00 73.33 O ATOM 127 CB ILE A 12 12.867 -7.715 -5.786 1.00 12.21 C ATOM 128 CG1 ILE A 12 12.710 -6.856 -7.042 1.00 44.33 C ATOM 129 CG2 ILE A 12 14.256 -7.544 -5.191 1.00 24.34 C ATOM 130 CD1 ILE A 12 13.759 -7.131 -8.097 1.00 61.00 C ATOM 0 H ILE A 12 10.593 -8.739 -5.727 1.00 63.43 H new ATOM 0 HA ILE A 12 12.881 -9.386 -7.150 1.00 63.12 H new ATOM 0 HB ILE A 12 12.135 -7.385 -5.049 1.00 12.21 H new ATOM 0 HG12 ILE A 12 11.722 -7.029 -7.469 1.00 44.33 H new ATOM 0 HG13 ILE A 12 12.756 -5.804 -6.761 1.00 44.33 H new ATOM 0 HG21 ILE A 12 14.428 -6.492 -4.965 1.00 24.34 H new ATOM 0 HG22 ILE A 12 14.334 -8.130 -4.275 1.00 24.34 H new ATOM 0 HG23 ILE A 12 15.003 -7.888 -5.906 1.00 24.34 H new ATOM 0 HD11 ILE A 12 13.586 -6.486 -8.959 1.00 61.00 H new ATOM 0 HD12 ILE A 12 14.749 -6.931 -7.687 1.00 61.00 H new ATOM 0 HD13 ILE A 12 13.699 -8.174 -8.406 1.00 61.00 H new ATOM 142 N PRO A 13 13.150 -10.017 -3.888 1.00 44.32 N ATOM 143 CA PRO A 13 13.872 -10.798 -2.879 1.00 52.20 C ATOM 144 C PRO A 13 13.583 -12.291 -2.987 1.00 24.25 C ATOM 145 O PRO A 13 14.292 -13.115 -2.407 1.00 43.54 O ATOM 146 CB PRO A 13 13.340 -10.244 -1.555 1.00 35.32 C ATOM 147 CG PRO A 13 11.991 -9.704 -1.885 1.00 31.22 C ATOM 148 CD PRO A 13 12.084 -9.192 -3.296 1.00 34.53 C ATOM 0 HA PRO A 13 14.953 -10.709 -2.990 1.00 52.20 H new ATOM 0 HB2 PRO A 13 13.279 -11.023 -0.796 1.00 35.32 H new ATOM 0 HB3 PRO A 13 13.993 -9.465 -1.161 1.00 35.32 H new ATOM 0 HG2 PRO A 13 11.229 -10.479 -1.800 1.00 31.22 H new ATOM 0 HG3 PRO A 13 11.711 -8.906 -1.198 1.00 31.22 H new ATOM 0 HD2 PRO A 13 11.141 -9.310 -3.830 1.00 34.53 H new ATOM 0 HD3 PRO A 13 12.335 -8.132 -3.323 1.00 34.53 H new ATOM 156 N LYS A 14 12.538 -12.635 -3.732 1.00 23.15 N ATOM 157 CA LYS A 14 12.156 -14.030 -3.917 1.00 41.12 C ATOM 158 C LYS A 14 13.165 -14.757 -4.800 1.00 72.53 C ATOM 159 O LYS A 14 13.461 -15.933 -4.583 1.00 61.21 O ATOM 160 CB LYS A 14 10.760 -14.119 -4.538 1.00 64.44 C ATOM 161 CG LYS A 14 9.687 -14.566 -3.561 1.00 1.00 C ATOM 162 CD LYS A 14 8.330 -14.678 -4.236 1.00 23.33 C ATOM 163 CE LYS A 14 7.997 -16.122 -4.581 1.00 44.33 C ATOM 164 NZ LYS A 14 6.577 -16.278 -5.000 1.00 32.44 N ATOM 0 H LYS A 14 11.940 -11.966 -4.218 1.00 23.15 H new ATOM 0 HA LYS A 14 12.143 -14.511 -2.939 1.00 41.12 H new ATOM 0 HB2 LYS A 14 10.488 -13.144 -4.942 1.00 64.44 H new ATOM 0 HB3 LYS A 14 10.788 -14.815 -5.377 1.00 64.44 H new ATOM 0 HG2 LYS A 14 9.962 -15.530 -3.133 1.00 1.00 H new ATOM 0 HG3 LYS A 14 9.627 -13.856 -2.736 1.00 1.00 H new ATOM 0 HD2 LYS A 14 7.561 -14.273 -3.578 1.00 23.33 H new ATOM 0 HD3 LYS A 14 8.323 -14.075 -5.144 1.00 23.33 H new ATOM 0 HE2 LYS A 14 8.652 -16.464 -5.382 1.00 44.33 H new ATOM 0 HE3 LYS A 14 8.192 -16.756 -3.716 1.00 44.33 H new ATOM 0 HZ1 LYS A 14 6.389 -17.276 -5.227 1.00 32.44 H new ATOM 0 HZ2 LYS A 14 5.951 -15.975 -4.226 1.00 32.44 H new ATOM 0 HZ3 LYS A 14 6.397 -15.692 -5.840 1.00 32.44 H new ATOM 178 N LEU A 15 13.690 -14.052 -5.795 1.00 42.35 N ATOM 179 CA LEU A 15 14.668 -14.630 -6.711 1.00 33.20 C ATOM 180 C LEU A 15 16.083 -14.484 -6.160 1.00 74.13 C ATOM 181 O LEU A 15 16.874 -15.425 -6.196 1.00 70.34 O ATOM 182 CB LEU A 15 14.570 -13.960 -8.083 1.00 2.25 C ATOM 183 CG LEU A 15 13.426 -14.432 -8.980 1.00 41.25 C ATOM 184 CD1 LEU A 15 13.031 -13.338 -9.961 1.00 64.51 C ATOM 185 CD2 LEU A 15 13.820 -15.700 -9.723 1.00 75.42 C ATOM 0 H LEU A 15 13.455 -13.079 -5.989 1.00 42.35 H new ATOM 0 HA LEU A 15 14.447 -15.692 -6.816 1.00 33.20 H new ATOM 0 HB2 LEU A 15 14.468 -12.885 -7.934 1.00 2.25 H new ATOM 0 HB3 LEU A 15 15.510 -14.121 -8.612 1.00 2.25 H new ATOM 0 HG LEU A 15 12.565 -14.656 -8.351 1.00 41.25 H new ATOM 0 HD11 LEU A 15 12.215 -13.692 -10.591 1.00 64.51 H new ATOM 0 HD12 LEU A 15 12.707 -12.455 -9.410 1.00 64.51 H new ATOM 0 HD13 LEU A 15 13.887 -13.082 -10.585 1.00 64.51 H new ATOM 0 HD21 LEU A 15 12.994 -16.022 -10.357 1.00 75.42 H new ATOM 0 HD22 LEU A 15 14.696 -15.502 -10.341 1.00 75.42 H new ATOM 0 HD23 LEU A 15 14.053 -16.485 -9.004 1.00 75.42 H new ATOM 197 N GLY A 16 16.393 -13.297 -5.648 1.00 45.13 N ATOM 198 CA GLY A 16 17.712 -13.050 -5.095 1.00 42.12 C ATOM 199 C GLY A 16 18.119 -14.096 -4.076 1.00 71.15 C ATOM 200 O GLY A 16 19.306 -14.352 -3.881 1.00 45.10 O ATOM 0 H GLY A 16 15.755 -12.502 -5.606 1.00 45.13 H new ATOM 0 HA2 GLY A 16 18.443 -13.030 -5.903 1.00 42.12 H new ATOM 0 HA3 GLY A 16 17.728 -12.066 -4.627 1.00 42.12 H new ATOM 204 N GLU A 17 17.131 -14.701 -3.425 1.00 34.02 N ATOM 205 CA GLU A 17 17.393 -15.723 -2.419 1.00 21.33 C ATOM 206 C GLU A 17 18.094 -16.929 -3.038 1.00 71.12 C ATOM 207 O GLU A 17 18.900 -17.595 -2.387 1.00 44.14 O ATOM 208 CB GLU A 17 16.087 -16.164 -1.755 1.00 20.34 C ATOM 209 CG GLU A 17 16.293 -16.989 -0.495 1.00 53.11 C ATOM 210 CD GLU A 17 15.155 -17.958 -0.240 1.00 15.21 C ATOM 211 OE1 GLU A 17 13.985 -17.524 -0.281 1.00 15.33 O ATOM 212 OE2 GLU A 17 15.435 -19.151 0.001 1.00 53.04 O ATOM 0 H GLU A 17 16.142 -14.501 -3.576 1.00 34.02 H new ATOM 0 HA GLU A 17 18.049 -15.292 -1.663 1.00 21.33 H new ATOM 0 HB2 GLU A 17 15.498 -15.280 -1.508 1.00 20.34 H new ATOM 0 HB3 GLU A 17 15.505 -16.746 -2.469 1.00 20.34 H new ATOM 0 HG2 GLU A 17 17.227 -17.545 -0.578 1.00 53.11 H new ATOM 0 HG3 GLU A 17 16.395 -16.321 0.360 1.00 53.11 H new ATOM 219 N LEU A 18 17.780 -17.205 -4.299 1.00 40.42 N ATOM 220 CA LEU A 18 18.378 -18.330 -5.008 1.00 65.51 C ATOM 221 C LEU A 18 19.766 -17.971 -5.528 1.00 45.23 C ATOM 222 O LEU A 18 20.488 -18.825 -6.045 1.00 3.11 O ATOM 223 CB LEU A 18 17.482 -18.762 -6.170 1.00 52.30 C ATOM 224 CG LEU A 18 16.574 -19.964 -5.907 1.00 40.30 C ATOM 225 CD1 LEU A 18 17.399 -21.180 -5.515 1.00 53.13 C ATOM 226 CD2 LEU A 18 15.556 -19.636 -4.825 1.00 32.34 C ATOM 0 H LEU A 18 17.114 -16.665 -4.851 1.00 40.42 H new ATOM 0 HA LEU A 18 18.476 -19.158 -4.306 1.00 65.51 H new ATOM 0 HB2 LEU A 18 16.857 -17.916 -6.455 1.00 52.30 H new ATOM 0 HB3 LEU A 18 18.117 -18.992 -7.026 1.00 52.30 H new ATOM 0 HG LEU A 18 16.036 -20.197 -6.826 1.00 40.30 H new ATOM 0 HD11 LEU A 18 16.736 -22.026 -5.332 1.00 53.13 H new ATOM 0 HD12 LEU A 18 18.088 -21.428 -6.322 1.00 53.13 H new ATOM 0 HD13 LEU A 18 17.965 -20.959 -4.610 1.00 53.13 H new ATOM 0 HD21 LEU A 18 14.918 -20.503 -4.651 1.00 32.34 H new ATOM 0 HD22 LEU A 18 16.076 -19.377 -3.903 1.00 32.34 H new ATOM 0 HD23 LEU A 18 14.943 -18.793 -5.145 1.00 32.34 H new ATOM 238 N LEU A 19 20.135 -16.702 -5.387 1.00 21.42 N ATOM 239 CA LEU A 19 21.438 -16.229 -5.840 1.00 65.33 C ATOM 240 C LEU A 19 22.431 -16.176 -4.683 1.00 62.35 C ATOM 241 O LEU A 19 23.609 -15.876 -4.876 1.00 5.21 O ATOM 242 CB LEU A 19 21.307 -14.845 -6.478 1.00 71.33 C ATOM 243 CG LEU A 19 21.472 -14.788 -7.997 1.00 43.03 C ATOM 244 CD1 LEU A 19 22.939 -14.909 -8.380 1.00 23.35 C ATOM 245 CD2 LEU A 19 20.653 -15.883 -8.665 1.00 21.03 C ATOM 0 H LEU A 19 19.550 -15.983 -4.962 1.00 21.42 H new ATOM 0 HA LEU A 19 21.813 -16.931 -6.584 1.00 65.33 H new ATOM 0 HB2 LEU A 19 20.327 -14.441 -6.224 1.00 71.33 H new ATOM 0 HB3 LEU A 19 22.050 -14.187 -6.027 1.00 71.33 H new ATOM 0 HG LEU A 19 21.105 -13.823 -8.346 1.00 43.03 H new ATOM 0 HD11 LEU A 19 23.037 -14.866 -9.465 1.00 23.35 H new ATOM 0 HD12 LEU A 19 23.501 -14.089 -7.933 1.00 23.35 H new ATOM 0 HD13 LEU A 19 23.333 -15.859 -8.017 1.00 23.35 H new ATOM 0 HD21 LEU A 19 20.783 -15.827 -9.746 1.00 21.03 H new ATOM 0 HD22 LEU A 19 20.989 -16.857 -8.309 1.00 21.03 H new ATOM 0 HD23 LEU A 19 19.599 -15.751 -8.419 1.00 21.03 H new ATOM 257 N VAL A 20 21.948 -16.472 -3.481 1.00 75.22 N ATOM 258 CA VAL A 20 22.793 -16.462 -2.293 1.00 52.43 C ATOM 259 C VAL A 20 23.629 -17.733 -2.203 1.00 2.04 C ATOM 260 O VAL A 20 24.717 -17.733 -1.629 1.00 23.24 O ATOM 261 CB VAL A 20 21.954 -16.319 -1.009 1.00 63.21 C ATOM 262 CG1 VAL A 20 20.970 -15.167 -1.139 1.00 2.32 C ATOM 263 CG2 VAL A 20 21.228 -17.620 -0.701 1.00 15.41 C ATOM 0 H VAL A 20 20.975 -16.722 -3.304 1.00 75.22 H new ATOM 0 HA VAL A 20 23.456 -15.601 -2.382 1.00 52.43 H new ATOM 0 HB VAL A 20 22.625 -16.098 -0.179 1.00 63.21 H new ATOM 0 HG11 VAL A 20 20.386 -15.082 -0.222 1.00 2.32 H new ATOM 0 HG12 VAL A 20 21.516 -14.239 -1.309 1.00 2.32 H new ATOM 0 HG13 VAL A 20 20.301 -15.353 -1.979 1.00 2.32 H new ATOM 0 HG21 VAL A 20 20.640 -17.502 0.209 1.00 15.41 H new ATOM 0 HG22 VAL A 20 20.567 -17.873 -1.530 1.00 15.41 H new ATOM 0 HG23 VAL A 20 21.956 -18.419 -0.561 1.00 15.41 H new ATOM 273 N GLY A 21 23.113 -18.817 -2.774 1.00 51.25 N ATOM 274 CA GLY A 21 23.826 -20.081 -2.748 1.00 14.45 C ATOM 275 C GLY A 21 23.147 -21.110 -1.865 1.00 64.05 C ATOM 276 O GLY A 21 23.743 -22.130 -1.521 1.00 63.01 O ATOM 0 H GLY A 21 22.214 -18.842 -3.254 1.00 51.25 H new ATOM 0 HA2 GLY A 21 23.904 -20.472 -3.763 1.00 14.45 H new ATOM 0 HA3 GLY A 21 24.842 -19.914 -2.391 1.00 14.45 H new ATOM 280 N GLU A 22 21.898 -20.841 -1.498 1.00 24.41 N ATOM 281 CA GLU A 22 21.140 -21.752 -0.648 1.00 63.21 C ATOM 282 C GLU A 22 20.126 -22.545 -1.468 1.00 44.43 C ATOM 283 O GLU A 22 18.979 -22.127 -1.629 1.00 43.21 O ATOM 284 CB GLU A 22 20.423 -20.975 0.458 1.00 73.15 C ATOM 285 CG GLU A 22 19.524 -21.841 1.325 1.00 52.54 C ATOM 286 CD GLU A 22 20.305 -22.815 2.185 1.00 42.15 C ATOM 287 OE1 GLU A 22 20.729 -23.864 1.656 1.00 74.23 O ATOM 288 OE2 GLU A 22 20.493 -22.529 3.385 1.00 1.23 O ATOM 0 H GLU A 22 21.390 -20.001 -1.775 1.00 24.41 H new ATOM 0 HA GLU A 22 21.841 -22.453 -0.194 1.00 63.21 H new ATOM 0 HB2 GLU A 22 21.167 -20.490 1.091 1.00 73.15 H new ATOM 0 HB3 GLU A 22 19.825 -20.184 0.006 1.00 73.15 H new ATOM 0 HG2 GLU A 22 18.918 -21.201 1.966 1.00 52.54 H new ATOM 0 HG3 GLU A 22 18.836 -22.396 0.687 1.00 52.54 H new ATOM 295 N TYR A 23 20.558 -23.690 -1.985 1.00 40.41 N ATOM 296 CA TYR A 23 19.690 -24.540 -2.791 1.00 50.43 C ATOM 297 C TYR A 23 20.342 -25.894 -3.051 1.00 65.00 C ATOM 298 O TYR A 23 21.563 -26.034 -2.976 1.00 4.54 O ATOM 299 CB TYR A 23 19.362 -23.856 -4.120 1.00 2.33 C ATOM 300 CG TYR A 23 20.561 -23.215 -4.783 1.00 15.24 C ATOM 301 CD1 TYR A 23 21.443 -23.969 -5.546 1.00 51.23 C ATOM 302 CD2 TYR A 23 20.810 -21.855 -4.646 1.00 13.41 C ATOM 303 CE1 TYR A 23 22.539 -23.387 -6.153 1.00 23.40 C ATOM 304 CE2 TYR A 23 21.903 -21.264 -5.250 1.00 72.43 C ATOM 305 CZ TYR A 23 22.765 -22.035 -6.002 1.00 71.03 C ATOM 306 OH TYR A 23 23.855 -21.452 -6.606 1.00 41.23 O ATOM 0 H TYR A 23 21.504 -24.051 -1.860 1.00 40.41 H new ATOM 0 HA TYR A 23 18.766 -24.702 -2.236 1.00 50.43 H new ATOM 0 HB2 TYR A 23 18.931 -24.590 -4.800 1.00 2.33 H new ATOM 0 HB3 TYR A 23 18.601 -23.094 -3.949 1.00 2.33 H new ATOM 0 HD1 TYR A 23 21.269 -25.028 -5.667 1.00 51.23 H new ATOM 0 HD2 TYR A 23 20.137 -21.249 -4.057 1.00 13.41 H new ATOM 0 HE1 TYR A 23 23.215 -23.988 -6.743 1.00 23.40 H new ATOM 0 HE2 TYR A 23 22.081 -20.205 -5.134 1.00 72.43 H new ATOM 0 HH TYR A 23 23.869 -20.494 -6.402 1.00 41.23 H new ATOM 316 N LYS A 24 19.519 -26.891 -3.358 1.00 42.43 N ATOM 317 CA LYS A 24 20.013 -28.235 -3.632 1.00 1.11 C ATOM 318 C LYS A 24 19.899 -28.565 -5.117 1.00 1.22 C ATOM 319 O LYS A 24 19.278 -29.559 -5.497 1.00 3.44 O ATOM 320 CB LYS A 24 19.235 -29.264 -2.809 1.00 13.21 C ATOM 321 CG LYS A 24 19.354 -29.059 -1.309 1.00 3.14 C ATOM 322 CD LYS A 24 18.205 -29.716 -0.563 1.00 24.44 C ATOM 323 CE LYS A 24 18.476 -31.192 -0.311 1.00 10.21 C ATOM 324 NZ LYS A 24 18.254 -32.013 -1.533 1.00 42.24 N ATOM 0 H LYS A 24 18.506 -26.793 -3.423 1.00 42.43 H new ATOM 0 HA LYS A 24 21.065 -28.273 -3.349 1.00 1.11 H new ATOM 0 HB2 LYS A 24 18.183 -29.222 -3.091 1.00 13.21 H new ATOM 0 HB3 LYS A 24 19.592 -30.263 -3.060 1.00 13.21 H new ATOM 0 HG2 LYS A 24 20.300 -29.472 -0.958 1.00 3.14 H new ATOM 0 HG3 LYS A 24 19.370 -27.992 -1.087 1.00 3.14 H new ATOM 0 HD2 LYS A 24 18.048 -29.206 0.388 1.00 24.44 H new ATOM 0 HD3 LYS A 24 17.286 -29.607 -1.139 1.00 24.44 H new ATOM 0 HE2 LYS A 24 19.503 -31.319 0.030 1.00 10.21 H new ATOM 0 HE3 LYS A 24 17.827 -31.549 0.489 1.00 10.21 H new ATOM 0 HZ1 LYS A 24 17.899 -32.952 -1.261 1.00 42.24 H new ATOM 0 HZ2 LYS A 24 17.557 -31.543 -2.145 1.00 42.24 H new ATOM 0 HZ3 LYS A 24 19.151 -32.119 -2.048 1.00 42.24 H new ATOM 338 N LEU A 25 20.502 -27.727 -5.952 1.00 45.43 N ATOM 339 CA LEU A 25 20.470 -27.930 -7.396 1.00 70.15 C ATOM 340 C LEU A 25 21.748 -27.411 -8.048 1.00 74.14 C ATOM 341 O LEU A 25 22.591 -26.803 -7.389 1.00 12.43 O ATOM 342 CB LEU A 25 19.253 -27.229 -8.003 1.00 2.11 C ATOM 343 CG LEU A 25 18.852 -25.902 -7.357 1.00 60.31 C ATOM 344 CD1 LEU A 25 18.577 -24.852 -8.422 1.00 13.11 C ATOM 345 CD2 LEU A 25 17.635 -26.091 -6.464 1.00 14.42 C ATOM 0 H LEU A 25 21.019 -26.900 -5.654 1.00 45.43 H new ATOM 0 HA LEU A 25 20.397 -29.001 -7.586 1.00 70.15 H new ATOM 0 HB2 LEU A 25 19.451 -27.051 -9.060 1.00 2.11 H new ATOM 0 HB3 LEU A 25 18.402 -27.909 -7.948 1.00 2.11 H new ATOM 0 HG LEU A 25 19.680 -25.555 -6.739 1.00 60.31 H new ATOM 0 HD11 LEU A 25 18.293 -23.914 -7.944 1.00 13.11 H new ATOM 0 HD12 LEU A 25 19.475 -24.697 -9.020 1.00 13.11 H new ATOM 0 HD13 LEU A 25 17.766 -25.191 -9.066 1.00 13.11 H new ATOM 0 HD21 LEU A 25 17.363 -25.137 -6.012 1.00 14.42 H new ATOM 0 HD22 LEU A 25 16.801 -26.461 -7.060 1.00 14.42 H new ATOM 0 HD23 LEU A 25 17.868 -26.811 -5.679 1.00 14.42 H new ATOM 357 N HIS A 26 21.883 -27.654 -9.348 1.00 43.33 N ATOM 358 CA HIS A 26 23.057 -27.208 -10.091 1.00 21.23 C ATOM 359 C HIS A 26 23.359 -25.741 -9.801 1.00 55.10 C ATOM 360 O HIS A 26 22.451 -24.948 -9.549 1.00 3.34 O ATOM 361 CB HIS A 26 22.845 -27.411 -11.591 1.00 52.22 C ATOM 362 CG HIS A 26 23.115 -28.810 -12.051 1.00 24.31 C ATOM 363 ND1 HIS A 26 24.117 -29.596 -11.521 1.00 33.32 N ATOM 364 CD2 HIS A 26 22.507 -29.565 -12.996 1.00 3.11 C ATOM 365 CE1 HIS A 26 24.114 -30.773 -12.121 1.00 30.10 C ATOM 366 NE2 HIS A 26 23.146 -30.780 -13.020 1.00 65.01 N ATOM 0 H HIS A 26 21.195 -28.157 -9.908 1.00 43.33 H new ATOM 0 HA HIS A 26 23.909 -27.806 -9.768 1.00 21.23 H new ATOM 0 HB2 HIS A 26 21.818 -27.146 -11.843 1.00 52.22 H new ATOM 0 HB3 HIS A 26 23.494 -26.726 -12.137 1.00 52.22 H new ATOM 0 HD2 HIS A 26 21.674 -29.267 -13.616 1.00 3.11 H new ATOM 0 HE1 HIS A 26 24.788 -31.590 -11.912 1.00 30.10 H new ATOM 0 HE2 HIS A 26 22.911 -31.561 -13.632 1.00 65.01 H new ATOM 374 N LYS A 27 24.638 -25.386 -9.838 1.00 65.33 N ATOM 375 CA LYS A 27 25.061 -24.015 -9.581 1.00 13.34 C ATOM 376 C LYS A 27 24.665 -23.098 -10.734 1.00 1.24 C ATOM 377 O LYS A 27 24.221 -21.971 -10.519 1.00 2.30 O ATOM 378 CB LYS A 27 26.575 -23.957 -9.366 1.00 32.33 C ATOM 379 CG LYS A 27 27.077 -24.928 -8.311 1.00 13.35 C ATOM 380 CD LYS A 27 26.565 -24.561 -6.927 1.00 61.25 C ATOM 381 CE LYS A 27 26.878 -25.649 -5.911 1.00 40.22 C ATOM 382 NZ LYS A 27 28.316 -25.649 -5.524 1.00 60.23 N ATOM 0 H LYS A 27 25.401 -26.030 -10.044 1.00 65.33 H new ATOM 0 HA LYS A 27 24.559 -23.671 -8.677 1.00 13.34 H new ATOM 0 HB2 LYS A 27 27.076 -24.169 -10.311 1.00 32.33 H new ATOM 0 HB3 LYS A 27 26.854 -22.944 -9.077 1.00 32.33 H new ATOM 0 HG2 LYS A 27 26.756 -25.939 -8.563 1.00 13.35 H new ATOM 0 HG3 LYS A 27 28.167 -24.932 -8.308 1.00 13.35 H new ATOM 0 HD2 LYS A 27 27.017 -23.622 -6.608 1.00 61.25 H new ATOM 0 HD3 LYS A 27 25.488 -24.398 -6.968 1.00 61.25 H new ATOM 0 HE2 LYS A 27 26.263 -25.504 -5.023 1.00 40.22 H new ATOM 0 HE3 LYS A 27 26.614 -26.621 -6.327 1.00 40.22 H new ATOM 0 HZ1 LYS A 27 28.489 -26.404 -4.830 1.00 60.23 H new ATOM 0 HZ2 LYS A 27 28.902 -25.812 -6.367 1.00 60.23 H new ATOM 0 HZ3 LYS A 27 28.562 -24.730 -5.104 1.00 60.23 H new ATOM 396 N GLY A 28 24.828 -23.590 -11.958 1.00 40.01 N ATOM 397 CA GLY A 28 24.482 -22.802 -13.126 1.00 52.14 C ATOM 398 C GLY A 28 23.075 -22.242 -13.052 1.00 1.10 C ATOM 399 O GLY A 28 22.757 -21.252 -13.712 1.00 22.43 O ATOM 0 H GLY A 28 25.194 -24.520 -12.162 1.00 40.01 H new ATOM 0 HA2 GLY A 28 25.191 -21.981 -13.230 1.00 52.14 H new ATOM 0 HA3 GLY A 28 24.577 -23.420 -14.019 1.00 52.14 H new ATOM 403 N VAL A 29 22.229 -22.877 -12.247 1.00 52.13 N ATOM 404 CA VAL A 29 20.848 -22.437 -12.089 1.00 51.33 C ATOM 405 C VAL A 29 20.778 -20.945 -11.781 1.00 64.24 C ATOM 406 O VAL A 29 19.820 -20.267 -12.153 1.00 45.21 O ATOM 407 CB VAL A 29 20.135 -23.215 -10.967 1.00 64.14 C ATOM 408 CG1 VAL A 29 18.714 -22.705 -10.783 1.00 24.14 C ATOM 409 CG2 VAL A 29 20.141 -24.706 -11.268 1.00 34.31 C ATOM 0 H VAL A 29 22.476 -23.698 -11.694 1.00 52.13 H new ATOM 0 HA VAL A 29 20.344 -22.634 -13.035 1.00 51.33 H new ATOM 0 HB VAL A 29 20.676 -23.053 -10.035 1.00 64.14 H new ATOM 0 HG11 VAL A 29 18.226 -23.267 -9.986 1.00 24.14 H new ATOM 0 HG12 VAL A 29 18.738 -21.648 -10.519 1.00 24.14 H new ATOM 0 HG13 VAL A 29 18.158 -22.835 -11.711 1.00 24.14 H new ATOM 0 HG21 VAL A 29 19.633 -25.241 -10.466 1.00 34.31 H new ATOM 0 HG22 VAL A 29 19.624 -24.889 -12.210 1.00 34.31 H new ATOM 0 HG23 VAL A 29 21.170 -25.058 -11.344 1.00 34.31 H new ATOM 419 N LYS A 30 21.801 -20.439 -11.100 1.00 35.23 N ATOM 420 CA LYS A 30 21.858 -19.027 -10.742 1.00 42.11 C ATOM 421 C LYS A 30 21.698 -18.146 -11.977 1.00 41.00 C ATOM 422 O LYS A 30 21.018 -17.121 -11.937 1.00 53.42 O ATOM 423 CB LYS A 30 23.183 -18.710 -10.045 1.00 10.13 C ATOM 424 CG LYS A 30 24.402 -18.934 -10.923 1.00 54.32 C ATOM 425 CD LYS A 30 25.692 -18.807 -10.130 1.00 54.33 C ATOM 426 CE LYS A 30 25.900 -19.999 -9.210 1.00 34.35 C ATOM 427 NZ LYS A 30 27.036 -19.784 -8.272 1.00 21.43 N ATOM 0 H LYS A 30 22.602 -20.986 -10.785 1.00 35.23 H new ATOM 0 HA LYS A 30 21.035 -18.817 -10.058 1.00 42.11 H new ATOM 0 HB2 LYS A 30 23.170 -17.672 -9.714 1.00 10.13 H new ATOM 0 HB3 LYS A 30 23.271 -19.328 -9.152 1.00 10.13 H new ATOM 0 HG2 LYS A 30 24.348 -19.924 -11.376 1.00 54.32 H new ATOM 0 HG3 LYS A 30 24.402 -18.210 -11.738 1.00 54.32 H new ATOM 0 HD2 LYS A 30 26.535 -18.724 -10.816 1.00 54.33 H new ATOM 0 HD3 LYS A 30 25.669 -17.891 -9.540 1.00 54.33 H new ATOM 0 HE2 LYS A 30 24.989 -20.182 -8.641 1.00 34.35 H new ATOM 0 HE3 LYS A 30 26.087 -20.891 -9.808 1.00 34.35 H new ATOM 0 HZ1 LYS A 30 27.145 -20.619 -7.662 1.00 21.43 H new ATOM 0 HZ2 LYS A 30 27.911 -19.635 -8.814 1.00 21.43 H new ATOM 0 HZ3 LYS A 30 26.847 -18.948 -7.684 1.00 21.43 H new ATOM 441 N LYS A 31 22.328 -18.553 -13.074 1.00 12.20 N ATOM 442 CA LYS A 31 22.254 -17.803 -14.322 1.00 55.31 C ATOM 443 C LYS A 31 20.803 -17.588 -14.742 1.00 60.04 C ATOM 444 O LYS A 31 20.468 -16.574 -15.353 1.00 73.21 O ATOM 445 CB LYS A 31 23.013 -18.538 -15.429 1.00 12.01 C ATOM 446 CG LYS A 31 24.413 -17.999 -15.668 1.00 33.25 C ATOM 447 CD LYS A 31 25.228 -18.935 -16.544 1.00 43.42 C ATOM 448 CE LYS A 31 26.334 -19.617 -15.753 1.00 73.43 C ATOM 449 NZ LYS A 31 27.552 -19.839 -16.581 1.00 31.15 N ATOM 0 H LYS A 31 22.896 -19.399 -13.124 1.00 12.20 H new ATOM 0 HA LYS A 31 22.715 -16.829 -14.159 1.00 55.31 H new ATOM 0 HB2 LYS A 31 23.079 -19.595 -15.173 1.00 12.01 H new ATOM 0 HB3 LYS A 31 22.443 -18.470 -16.356 1.00 12.01 H new ATOM 0 HG2 LYS A 31 24.351 -17.019 -16.141 1.00 33.25 H new ATOM 0 HG3 LYS A 31 24.919 -17.861 -14.712 1.00 33.25 H new ATOM 0 HD2 LYS A 31 24.573 -19.689 -16.980 1.00 43.42 H new ATOM 0 HD3 LYS A 31 25.663 -18.374 -17.371 1.00 43.42 H new ATOM 0 HE2 LYS A 31 26.590 -19.007 -14.887 1.00 73.43 H new ATOM 0 HE3 LYS A 31 25.973 -20.573 -15.374 1.00 73.43 H new ATOM 0 HZ1 LYS A 31 28.282 -20.306 -16.006 1.00 31.15 H new ATOM 0 HZ2 LYS A 31 27.314 -20.442 -17.394 1.00 31.15 H new ATOM 0 HZ3 LYS A 31 27.912 -18.925 -16.922 1.00 31.15 H new ATOM 463 N ASN A 32 19.947 -18.549 -14.410 1.00 11.44 N ATOM 464 CA ASN A 32 18.532 -18.464 -14.752 1.00 52.50 C ATOM 465 C ASN A 32 17.805 -17.496 -13.823 1.00 75.11 C ATOM 466 O ASN A 32 17.080 -16.610 -14.277 1.00 44.23 O ATOM 467 CB ASN A 32 17.883 -19.847 -14.675 1.00 70.01 C ATOM 468 CG ASN A 32 16.547 -19.899 -15.390 1.00 74.51 C ATOM 469 OD1 ASN A 32 15.495 -19.712 -14.778 1.00 51.22 O ATOM 470 ND2 ASN A 32 16.582 -20.156 -16.693 1.00 3.05 N ATOM 0 H ASN A 32 20.209 -19.395 -13.905 1.00 11.44 H new ATOM 0 HA ASN A 32 18.452 -18.089 -15.773 1.00 52.50 H new ATOM 0 HB2 ASN A 32 18.555 -20.586 -15.112 1.00 70.01 H new ATOM 0 HB3 ASN A 32 17.744 -20.122 -13.630 1.00 70.01 H new ATOM 0 HD21 ASN A 32 15.714 -20.205 -17.227 1.00 3.05 H new ATOM 0 HD22 ASN A 32 17.477 -20.304 -17.160 1.00 3.05 H new ATOM 477 N ILE A 33 18.003 -17.673 -12.521 1.00 41.42 N ATOM 478 CA ILE A 33 17.368 -16.815 -11.529 1.00 11.51 C ATOM 479 C ILE A 33 17.815 -15.365 -11.688 1.00 24.50 C ATOM 480 O ILE A 33 16.990 -14.458 -11.785 1.00 32.31 O ATOM 481 CB ILE A 33 17.682 -17.283 -10.096 1.00 4.32 C ATOM 482 CG1 ILE A 33 16.895 -18.553 -9.767 1.00 3.14 C ATOM 483 CG2 ILE A 33 17.363 -16.181 -9.096 1.00 73.05 C ATOM 484 CD1 ILE A 33 17.449 -19.795 -10.429 1.00 34.32 C ATOM 0 H ILE A 33 18.598 -18.403 -12.129 1.00 41.42 H new ATOM 0 HA ILE A 33 16.293 -16.881 -11.697 1.00 11.51 H new ATOM 0 HB ILE A 33 18.746 -17.510 -10.029 1.00 4.32 H new ATOM 0 HG12 ILE A 33 16.890 -18.698 -8.687 1.00 3.14 H new ATOM 0 HG13 ILE A 33 15.858 -18.418 -10.075 1.00 3.14 H new ATOM 0 HG21 ILE A 33 17.590 -16.528 -8.088 1.00 73.05 H new ATOM 0 HG22 ILE A 33 17.964 -15.300 -9.321 1.00 73.05 H new ATOM 0 HG23 ILE A 33 16.306 -15.925 -9.162 1.00 73.05 H new ATOM 0 HD11 ILE A 33 16.842 -20.657 -10.151 1.00 34.32 H new ATOM 0 HD12 ILE A 33 17.428 -19.670 -11.512 1.00 34.32 H new ATOM 0 HD13 ILE A 33 18.476 -19.954 -10.102 1.00 34.32 H new ATOM 496 N GLU A 34 19.128 -15.157 -11.716 1.00 10.33 N ATOM 497 CA GLU A 34 19.685 -13.817 -11.864 1.00 72.33 C ATOM 498 C GLU A 34 19.074 -13.104 -13.067 1.00 74.42 C ATOM 499 O GLU A 34 18.911 -11.884 -13.063 1.00 25.05 O ATOM 500 CB GLU A 34 21.206 -13.887 -12.018 1.00 34.23 C ATOM 501 CG GLU A 34 21.658 -14.386 -13.380 1.00 33.43 C ATOM 502 CD GLU A 34 23.168 -14.430 -13.513 1.00 55.04 C ATOM 503 OE1 GLU A 34 23.819 -15.079 -12.668 1.00 72.02 O ATOM 504 OE2 GLU A 34 23.698 -13.815 -14.462 1.00 73.32 O ATOM 0 H GLU A 34 19.825 -15.898 -11.638 1.00 10.33 H new ATOM 0 HA GLU A 34 19.443 -13.250 -10.965 1.00 72.33 H new ATOM 0 HB2 GLU A 34 21.626 -12.896 -11.846 1.00 34.23 H new ATOM 0 HB3 GLU A 34 21.611 -14.543 -11.247 1.00 34.23 H new ATOM 0 HG2 GLU A 34 21.253 -15.383 -13.550 1.00 33.43 H new ATOM 0 HG3 GLU A 34 21.247 -13.739 -14.155 1.00 33.43 H new ATOM 511 N ASP A 35 18.737 -13.875 -14.096 1.00 2.13 N ATOM 512 CA ASP A 35 18.143 -13.318 -15.306 1.00 25.51 C ATOM 513 C ASP A 35 16.731 -12.811 -15.034 1.00 53.12 C ATOM 514 O ASP A 35 16.387 -11.681 -15.386 1.00 20.44 O ATOM 515 CB ASP A 35 18.116 -14.370 -16.416 1.00 42.02 C ATOM 516 CG ASP A 35 19.304 -14.255 -17.351 1.00 61.43 C ATOM 517 OD1 ASP A 35 20.375 -13.800 -16.898 1.00 10.13 O ATOM 518 OD2 ASP A 35 19.163 -14.622 -18.536 1.00 61.25 O ATOM 0 H ASP A 35 18.865 -14.887 -14.116 1.00 2.13 H new ATOM 0 HA ASP A 35 18.756 -12.476 -15.628 1.00 25.51 H new ATOM 0 HB2 ASP A 35 18.103 -15.364 -15.970 1.00 42.02 H new ATOM 0 HB3 ASP A 35 17.195 -14.266 -16.989 1.00 42.02 H new ATOM 523 N LEU A 36 15.916 -13.652 -14.408 1.00 74.40 N ATOM 524 CA LEU A 36 14.539 -13.290 -14.090 1.00 11.22 C ATOM 525 C LEU A 36 14.496 -12.118 -13.114 1.00 20.31 C ATOM 526 O LEU A 36 13.629 -11.249 -13.208 1.00 54.15 O ATOM 527 CB LEU A 36 13.799 -14.490 -13.497 1.00 12.15 C ATOM 528 CG LEU A 36 12.375 -14.719 -14.006 1.00 65.50 C ATOM 529 CD1 LEU A 36 12.392 -15.121 -15.473 1.00 12.31 C ATOM 530 CD2 LEU A 36 11.674 -15.779 -13.169 1.00 71.21 C ATOM 0 H LEU A 36 16.185 -14.590 -14.110 1.00 74.40 H new ATOM 0 HA LEU A 36 14.046 -12.988 -15.014 1.00 11.22 H new ATOM 0 HB2 LEU A 36 14.384 -15.388 -13.698 1.00 12.15 H new ATOM 0 HB3 LEU A 36 13.761 -14.370 -12.414 1.00 12.15 H new ATOM 0 HG LEU A 36 11.821 -13.785 -13.912 1.00 65.50 H new ATOM 0 HD11 LEU A 36 11.371 -15.280 -15.819 1.00 12.31 H new ATOM 0 HD12 LEU A 36 12.855 -14.329 -16.062 1.00 12.31 H new ATOM 0 HD13 LEU A 36 12.962 -16.042 -15.591 1.00 12.31 H new ATOM 0 HD21 LEU A 36 10.662 -15.929 -13.545 1.00 71.21 H new ATOM 0 HD22 LEU A 36 12.227 -16.716 -13.231 1.00 71.21 H new ATOM 0 HD23 LEU A 36 11.630 -15.452 -12.130 1.00 71.21 H new ATOM 542 N LEU A 37 15.439 -12.100 -12.178 1.00 35.11 N ATOM 543 CA LEU A 37 15.510 -11.034 -11.185 1.00 44.42 C ATOM 544 C LEU A 37 15.940 -9.719 -11.828 1.00 55.25 C ATOM 545 O LEU A 37 15.490 -8.644 -11.430 1.00 60.10 O ATOM 546 CB LEU A 37 16.488 -11.412 -10.071 1.00 33.21 C ATOM 547 CG LEU A 37 16.943 -10.271 -9.161 1.00 14.14 C ATOM 548 CD1 LEU A 37 15.748 -9.631 -8.470 1.00 25.04 C ATOM 549 CD2 LEU A 37 17.948 -10.775 -8.135 1.00 54.11 C ATOM 0 H LEU A 37 16.164 -12.811 -12.086 1.00 35.11 H new ATOM 0 HA LEU A 37 14.516 -10.902 -10.759 1.00 44.42 H new ATOM 0 HB2 LEU A 37 16.024 -12.180 -9.452 1.00 33.21 H new ATOM 0 HB3 LEU A 37 17.371 -11.860 -10.527 1.00 33.21 H new ATOM 0 HG LEU A 37 17.430 -9.514 -9.775 1.00 14.14 H new ATOM 0 HD11 LEU A 37 16.091 -8.821 -7.826 1.00 25.04 H new ATOM 0 HD12 LEU A 37 15.064 -9.234 -9.220 1.00 25.04 H new ATOM 0 HD13 LEU A 37 15.232 -10.379 -7.868 1.00 25.04 H new ATOM 0 HD21 LEU A 37 18.261 -9.949 -7.496 1.00 54.11 H new ATOM 0 HD22 LEU A 37 17.487 -11.551 -7.525 1.00 54.11 H new ATOM 0 HD23 LEU A 37 18.817 -11.186 -8.649 1.00 54.11 H new ATOM 561 N LYS A 38 16.811 -9.812 -12.827 1.00 53.45 N ATOM 562 CA LYS A 38 17.299 -8.631 -13.530 1.00 12.32 C ATOM 563 C LYS A 38 16.150 -7.880 -14.196 1.00 30.04 C ATOM 564 O LYS A 38 16.044 -6.660 -14.078 1.00 52.20 O ATOM 565 CB LYS A 38 18.338 -9.030 -14.580 1.00 11.20 C ATOM 566 CG LYS A 38 19.341 -7.932 -14.891 1.00 30.42 C ATOM 567 CD LYS A 38 20.649 -8.504 -15.411 1.00 42.24 C ATOM 568 CE LYS A 38 21.422 -7.476 -16.224 1.00 22.13 C ATOM 569 NZ LYS A 38 22.196 -6.549 -15.353 1.00 12.45 N ATOM 0 H LYS A 38 17.194 -10.694 -13.168 1.00 53.45 H new ATOM 0 HA LYS A 38 17.765 -7.971 -12.799 1.00 12.32 H new ATOM 0 HB2 LYS A 38 18.874 -9.912 -14.231 1.00 11.20 H new ATOM 0 HB3 LYS A 38 17.824 -9.312 -15.499 1.00 11.20 H new ATOM 0 HG2 LYS A 38 18.920 -7.252 -15.632 1.00 30.42 H new ATOM 0 HG3 LYS A 38 19.531 -7.346 -13.992 1.00 30.42 H new ATOM 0 HD2 LYS A 38 21.259 -8.840 -14.573 1.00 42.24 H new ATOM 0 HD3 LYS A 38 20.445 -9.379 -16.028 1.00 42.24 H new ATOM 0 HE2 LYS A 38 22.102 -7.988 -16.904 1.00 22.13 H new ATOM 0 HE3 LYS A 38 20.728 -6.903 -16.839 1.00 22.13 H new ATOM 0 HZ1 LYS A 38 22.709 -5.864 -15.944 1.00 12.45 H new ATOM 0 HZ2 LYS A 38 21.545 -6.041 -14.721 1.00 12.45 H new ATOM 0 HZ3 LYS A 38 22.876 -7.093 -14.785 1.00 12.45 H new ATOM 583 N GLU A 39 15.292 -8.618 -14.893 1.00 61.12 N ATOM 584 CA GLU A 39 14.151 -8.021 -15.577 1.00 0.53 C ATOM 585 C GLU A 39 13.196 -7.374 -14.577 1.00 73.34 C ATOM 586 O GLU A 39 12.570 -6.354 -14.869 1.00 64.05 O ATOM 587 CB GLU A 39 13.409 -9.077 -16.398 1.00 23.42 C ATOM 588 CG GLU A 39 14.291 -9.793 -17.407 1.00 41.04 C ATOM 589 CD GLU A 39 14.712 -8.895 -18.554 1.00 42.22 C ATOM 590 OE1 GLU A 39 15.756 -8.221 -18.427 1.00 11.25 O ATOM 591 OE2 GLU A 39 13.999 -8.865 -19.579 1.00 32.55 O ATOM 0 H GLU A 39 15.365 -9.630 -14.999 1.00 61.12 H new ATOM 0 HA GLU A 39 14.526 -7.248 -16.248 1.00 0.53 H new ATOM 0 HB2 GLU A 39 12.975 -9.813 -15.721 1.00 23.42 H new ATOM 0 HB3 GLU A 39 12.582 -8.601 -16.924 1.00 23.42 H new ATOM 0 HG2 GLU A 39 15.180 -10.173 -16.903 1.00 41.04 H new ATOM 0 HG3 GLU A 39 13.756 -10.656 -17.803 1.00 41.04 H new ATOM 598 N LEU A 40 13.088 -7.976 -13.398 1.00 15.42 N ATOM 599 CA LEU A 40 12.208 -7.460 -12.354 1.00 62.11 C ATOM 600 C LEU A 40 12.771 -6.176 -11.753 1.00 53.13 C ATOM 601 O LEU A 40 12.034 -5.223 -11.496 1.00 65.22 O ATOM 602 CB LEU A 40 12.017 -8.509 -11.257 1.00 50.20 C ATOM 603 CG LEU A 40 10.755 -9.366 -11.361 1.00 22.41 C ATOM 604 CD1 LEU A 40 10.842 -10.301 -12.558 1.00 13.52 C ATOM 605 CD2 LEU A 40 10.541 -10.158 -10.079 1.00 2.32 C ATOM 0 H LEU A 40 13.598 -8.821 -13.141 1.00 15.42 H new ATOM 0 HA LEU A 40 11.242 -7.235 -12.805 1.00 62.11 H new ATOM 0 HB2 LEU A 40 12.883 -9.171 -11.260 1.00 50.20 H new ATOM 0 HB3 LEU A 40 12.008 -8.000 -10.293 1.00 50.20 H new ATOM 0 HG LEU A 40 9.901 -8.704 -11.503 1.00 22.41 H new ATOM 0 HD11 LEU A 40 9.935 -10.903 -12.616 1.00 13.52 H new ATOM 0 HD12 LEU A 40 10.947 -9.715 -13.471 1.00 13.52 H new ATOM 0 HD13 LEU A 40 11.706 -10.956 -12.446 1.00 13.52 H new ATOM 0 HD21 LEU A 40 9.638 -10.762 -10.171 1.00 2.32 H new ATOM 0 HD22 LEU A 40 11.398 -10.809 -9.906 1.00 2.32 H new ATOM 0 HD23 LEU A 40 10.433 -9.470 -9.240 1.00 2.32 H new ATOM 617 N LYS A 41 14.081 -6.156 -11.534 1.00 20.14 N ATOM 618 CA LYS A 41 14.745 -4.988 -10.967 1.00 34.24 C ATOM 619 C LYS A 41 14.440 -3.738 -11.786 1.00 22.10 C ATOM 620 O LYS A 41 14.414 -2.627 -11.256 1.00 52.43 O ATOM 621 CB LYS A 41 16.257 -5.215 -10.905 1.00 51.12 C ATOM 622 CG LYS A 41 16.726 -5.839 -9.602 1.00 51.13 C ATOM 623 CD LYS A 41 16.841 -4.802 -8.497 1.00 61.33 C ATOM 624 CE LYS A 41 17.862 -5.217 -7.448 1.00 52.25 C ATOM 625 NZ LYS A 41 19.240 -4.790 -7.817 1.00 1.02 N ATOM 0 H LYS A 41 14.705 -6.936 -11.741 1.00 20.14 H new ATOM 0 HA LYS A 41 14.365 -4.840 -9.956 1.00 34.24 H new ATOM 0 HB2 LYS A 41 16.554 -5.858 -11.733 1.00 51.12 H new ATOM 0 HB3 LYS A 41 16.765 -4.261 -11.045 1.00 51.12 H new ATOM 0 HG2 LYS A 41 16.028 -6.619 -9.299 1.00 51.13 H new ATOM 0 HG3 LYS A 41 17.693 -6.318 -9.754 1.00 51.13 H new ATOM 0 HD2 LYS A 41 17.128 -3.842 -8.926 1.00 61.33 H new ATOM 0 HD3 LYS A 41 15.869 -4.662 -8.025 1.00 61.33 H new ATOM 0 HE2 LYS A 41 17.592 -4.781 -6.486 1.00 52.25 H new ATOM 0 HE3 LYS A 41 17.838 -6.300 -7.326 1.00 52.25 H new ATOM 0 HZ1 LYS A 41 19.906 -5.091 -7.078 1.00 1.02 H new ATOM 0 HZ2 LYS A 41 19.508 -5.226 -8.723 1.00 1.02 H new ATOM 0 HZ3 LYS A 41 19.270 -3.754 -7.909 1.00 1.02 H new ATOM 639 N THR A 42 14.209 -3.927 -13.082 1.00 2.24 N ATOM 640 CA THR A 42 13.906 -2.815 -13.974 1.00 2.02 C ATOM 641 C THR A 42 12.434 -2.428 -13.890 1.00 22.11 C ATOM 642 O THR A 42 12.093 -1.246 -13.885 1.00 11.22 O ATOM 643 CB THR A 42 14.253 -3.157 -15.435 1.00 41.21 C ATOM 644 OG1 THR A 42 13.299 -4.087 -15.960 1.00 41.44 O ATOM 645 CG2 THR A 42 15.652 -3.746 -15.536 1.00 32.33 C ATOM 0 H THR A 42 14.226 -4.840 -13.537 1.00 2.24 H new ATOM 0 HA THR A 42 14.519 -1.974 -13.650 1.00 2.02 H new ATOM 0 HB THR A 42 14.221 -2.236 -16.018 1.00 41.21 H new ATOM 0 HG1 THR A 42 13.344 -4.924 -15.452 1.00 41.44 H new ATOM 0 HG21 THR A 42 15.874 -3.979 -16.577 1.00 32.33 H new ATOM 0 HG22 THR A 42 16.379 -3.024 -15.163 1.00 32.33 H new ATOM 0 HG23 THR A 42 15.707 -4.657 -14.940 1.00 32.33 H new ATOM 653 N MET A 43 11.566 -3.432 -13.824 1.00 21.33 N ATOM 654 CA MET A 43 10.130 -3.196 -13.738 1.00 14.21 C ATOM 655 C MET A 43 9.766 -2.529 -12.415 1.00 25.11 C ATOM 656 O MET A 43 9.113 -1.487 -12.393 1.00 42.13 O ATOM 657 CB MET A 43 9.365 -4.512 -13.886 1.00 34.41 C ATOM 658 CG MET A 43 9.533 -5.163 -15.249 1.00 70.13 C ATOM 659 SD MET A 43 9.329 -6.954 -15.194 1.00 42.21 S ATOM 660 CE MET A 43 8.533 -7.253 -16.771 1.00 2.35 C ATOM 0 H MET A 43 11.832 -4.417 -13.828 1.00 21.33 H new ATOM 0 HA MET A 43 9.848 -2.527 -14.551 1.00 14.21 H new ATOM 0 HB2 MET A 43 9.702 -5.207 -13.117 1.00 34.41 H new ATOM 0 HB3 MET A 43 8.305 -4.329 -13.708 1.00 34.41 H new ATOM 0 HG2 MET A 43 8.806 -4.740 -15.942 1.00 70.13 H new ATOM 0 HG3 MET A 43 10.522 -4.926 -15.641 1.00 70.13 H new ATOM 0 HE1 MET A 43 7.492 -7.529 -16.606 1.00 2.35 H new ATOM 0 HE2 MET A 43 8.577 -6.349 -17.378 1.00 2.35 H new ATOM 0 HE3 MET A 43 9.046 -8.063 -17.290 1.00 2.35 H new ATOM 670 N ASN A 44 10.194 -3.138 -11.314 1.00 2.25 N ATOM 671 CA ASN A 44 9.913 -2.603 -9.986 1.00 52.02 C ATOM 672 C ASN A 44 10.491 -1.200 -9.831 1.00 44.23 C ATOM 673 O ASN A 44 9.881 -0.331 -9.209 1.00 63.00 O ATOM 674 CB ASN A 44 10.488 -3.526 -8.909 1.00 54.54 C ATOM 675 CG ASN A 44 10.250 -2.997 -7.508 1.00 54.01 C ATOM 676 OD1 ASN A 44 11.178 -2.892 -6.706 1.00 71.42 O ATOM 677 ND2 ASN A 44 9.001 -2.661 -7.207 1.00 13.12 N ATOM 0 H ASN A 44 10.736 -4.002 -11.315 1.00 2.25 H new ATOM 0 HA ASN A 44 8.831 -2.546 -9.866 1.00 52.02 H new ATOM 0 HB2 ASN A 44 10.038 -4.514 -9.003 1.00 54.54 H new ATOM 0 HB3 ASN A 44 11.559 -3.647 -9.072 1.00 54.54 H new ATOM 0 HD21 ASN A 44 8.780 -2.299 -6.279 1.00 13.12 H new ATOM 0 HD22 ASN A 44 8.263 -2.765 -7.903 1.00 13.12 H new ATOM 684 N ALA A 45 11.672 -0.986 -10.402 1.00 63.34 N ATOM 685 CA ALA A 45 12.332 0.311 -10.330 1.00 43.43 C ATOM 686 C ALA A 45 11.610 1.343 -11.190 1.00 12.22 C ATOM 687 O ALA A 45 11.602 2.532 -10.873 1.00 50.44 O ATOM 688 CB ALA A 45 13.787 0.189 -10.761 1.00 35.55 C ATOM 0 H ALA A 45 12.191 -1.695 -10.920 1.00 63.34 H new ATOM 0 HA ALA A 45 12.298 0.650 -9.295 1.00 43.43 H new ATOM 0 HB1 ALA A 45 14.267 1.166 -10.702 1.00 35.55 H new ATOM 0 HB2 ALA A 45 14.304 -0.510 -10.103 1.00 35.55 H new ATOM 0 HB3 ALA A 45 13.833 -0.177 -11.787 1.00 35.55 H new ATOM 694 N ALA A 46 11.004 0.880 -12.278 1.00 43.14 N ATOM 695 CA ALA A 46 10.278 1.763 -13.183 1.00 10.14 C ATOM 696 C ALA A 46 9.191 2.534 -12.442 1.00 11.14 C ATOM 697 O ALA A 46 9.092 3.756 -12.559 1.00 44.30 O ATOM 698 CB ALA A 46 9.674 0.964 -14.328 1.00 52.30 C ATOM 0 H ALA A 46 11.001 -0.102 -12.554 1.00 43.14 H new ATOM 0 HA ALA A 46 10.985 2.485 -13.592 1.00 10.14 H new ATOM 0 HB1 ALA A 46 9.135 1.636 -14.996 1.00 52.30 H new ATOM 0 HB2 ALA A 46 10.469 0.463 -14.881 1.00 52.30 H new ATOM 0 HB3 ALA A 46 8.985 0.220 -13.929 1.00 52.30 H new ATOM 704 N LEU A 47 8.376 1.813 -11.679 1.00 42.22 N ATOM 705 CA LEU A 47 7.295 2.430 -10.919 1.00 33.13 C ATOM 706 C LEU A 47 7.832 3.510 -9.985 1.00 63.22 C ATOM 707 O LEU A 47 7.110 4.432 -9.606 1.00 33.23 O ATOM 708 CB LEU A 47 6.543 1.370 -10.112 1.00 23.24 C ATOM 709 CG LEU A 47 7.180 0.962 -8.782 1.00 52.24 C ATOM 710 CD1 LEU A 47 6.537 1.717 -7.629 1.00 73.41 C ATOM 711 CD2 LEU A 47 7.060 -0.540 -8.572 1.00 70.22 C ATOM 0 H LEU A 47 8.444 0.801 -11.571 1.00 42.22 H new ATOM 0 HA LEU A 47 6.608 2.896 -11.625 1.00 33.13 H new ATOM 0 HB2 LEU A 47 5.537 1.740 -9.912 1.00 23.24 H new ATOM 0 HB3 LEU A 47 6.438 0.478 -10.730 1.00 23.24 H new ATOM 0 HG LEU A 47 8.238 1.220 -8.813 1.00 52.24 H new ATOM 0 HD11 LEU A 47 7.003 1.414 -6.691 1.00 73.41 H new ATOM 0 HD12 LEU A 47 6.676 2.788 -7.773 1.00 73.41 H new ATOM 0 HD13 LEU A 47 5.471 1.490 -7.595 1.00 73.41 H new ATOM 0 HD21 LEU A 47 7.518 -0.812 -7.621 1.00 70.22 H new ATOM 0 HD22 LEU A 47 6.007 -0.823 -8.562 1.00 70.22 H new ATOM 0 HD23 LEU A 47 7.568 -1.062 -9.383 1.00 70.22 H new ATOM 723 N ILE A 48 9.104 3.390 -9.621 1.00 24.21 N ATOM 724 CA ILE A 48 9.739 4.358 -8.735 1.00 23.52 C ATOM 725 C ILE A 48 10.048 5.657 -9.471 1.00 32.03 C ATOM 726 O ILE A 48 9.808 6.748 -8.954 1.00 1.51 O ATOM 727 CB ILE A 48 11.043 3.800 -8.133 1.00 75.40 C ATOM 728 CG1 ILE A 48 10.813 2.390 -7.583 1.00 5.42 C ATOM 729 CG2 ILE A 48 11.559 4.723 -7.040 1.00 43.32 C ATOM 730 CD1 ILE A 48 9.748 2.326 -6.511 1.00 72.12 C ATOM 0 H ILE A 48 9.715 2.632 -9.926 1.00 24.21 H new ATOM 0 HA ILE A 48 9.033 4.559 -7.929 1.00 23.52 H new ATOM 0 HB ILE A 48 11.795 3.745 -8.920 1.00 75.40 H new ATOM 0 HG12 ILE A 48 10.531 1.730 -8.404 1.00 5.42 H new ATOM 0 HG13 ILE A 48 11.750 2.010 -7.176 1.00 5.42 H new ATOM 0 HG21 ILE A 48 12.481 4.315 -6.625 1.00 43.32 H new ATOM 0 HG22 ILE A 48 11.755 5.710 -7.460 1.00 43.32 H new ATOM 0 HG23 ILE A 48 10.811 4.807 -6.251 1.00 43.32 H new ATOM 0 HD11 ILE A 48 9.639 1.297 -6.168 1.00 72.12 H new ATOM 0 HD12 ILE A 48 10.037 2.960 -5.672 1.00 72.12 H new ATOM 0 HD13 ILE A 48 8.799 2.675 -6.919 1.00 72.12 H new ATOM 742 N LYS A 49 10.580 5.533 -10.682 1.00 32.51 N ATOM 743 CA LYS A 49 10.919 6.696 -11.492 1.00 50.14 C ATOM 744 C LYS A 49 9.666 7.320 -12.099 1.00 44.50 C ATOM 745 O LYS A 49 9.444 8.526 -11.982 1.00 72.12 O ATOM 746 CB LYS A 49 11.895 6.302 -12.604 1.00 12.54 C ATOM 747 CG LYS A 49 13.354 6.392 -12.191 1.00 70.05 C ATOM 748 CD LYS A 49 13.799 5.148 -11.441 1.00 71.23 C ATOM 749 CE LYS A 49 14.537 4.181 -12.354 1.00 70.41 C ATOM 750 NZ LYS A 49 13.625 3.151 -12.925 1.00 20.14 N ATOM 0 H LYS A 49 10.786 4.637 -11.124 1.00 32.51 H new ATOM 0 HA LYS A 49 11.394 7.433 -10.844 1.00 50.14 H new ATOM 0 HB2 LYS A 49 11.678 5.282 -12.922 1.00 12.54 H new ATOM 0 HB3 LYS A 49 11.730 6.947 -13.467 1.00 12.54 H new ATOM 0 HG2 LYS A 49 13.976 6.526 -13.076 1.00 70.05 H new ATOM 0 HG3 LYS A 49 13.501 7.270 -11.562 1.00 70.05 H new ATOM 0 HD2 LYS A 49 14.447 5.434 -10.612 1.00 71.23 H new ATOM 0 HD3 LYS A 49 12.930 4.651 -11.010 1.00 71.23 H new ATOM 0 HE2 LYS A 49 15.010 4.736 -13.164 1.00 70.41 H new ATOM 0 HE3 LYS A 49 15.334 3.691 -11.795 1.00 70.41 H new ATOM 0 HZ1 LYS A 49 14.019 2.204 -12.752 1.00 20.14 H new ATOM 0 HZ2 LYS A 49 12.691 3.225 -12.473 1.00 20.14 H new ATOM 0 HZ3 LYS A 49 13.527 3.303 -13.949 1.00 20.14 H new ATOM 764 N ILE A 50 8.852 6.493 -12.745 1.00 12.00 N ATOM 765 CA ILE A 50 7.621 6.965 -13.367 1.00 32.41 C ATOM 766 C ILE A 50 6.589 7.357 -12.315 1.00 73.42 C ATOM 767 O ILE A 50 5.699 8.166 -12.574 1.00 42.05 O ATOM 768 CB ILE A 50 7.013 5.895 -14.293 1.00 74.02 C ATOM 769 CG1 ILE A 50 6.510 4.705 -13.473 1.00 62.12 C ATOM 770 CG2 ILE A 50 8.037 5.441 -15.323 1.00 12.34 C ATOM 771 CD1 ILE A 50 5.016 4.720 -13.240 1.00 32.23 C ATOM 0 H ILE A 50 9.022 5.493 -12.852 1.00 12.00 H new ATOM 0 HA ILE A 50 7.882 7.841 -13.960 1.00 32.41 H new ATOM 0 HB ILE A 50 6.165 6.332 -14.821 1.00 74.02 H new ATOM 0 HG12 ILE A 50 6.780 3.781 -13.985 1.00 62.12 H new ATOM 0 HG13 ILE A 50 7.020 4.697 -12.510 1.00 62.12 H new ATOM 0 HG21 ILE A 50 7.592 4.685 -15.970 1.00 12.34 H new ATOM 0 HG22 ILE A 50 8.351 6.294 -15.925 1.00 12.34 H new ATOM 0 HG23 ILE A 50 8.903 5.018 -14.813 1.00 12.34 H new ATOM 0 HD11 ILE A 50 4.731 3.847 -12.652 1.00 32.23 H new ATOM 0 HD12 ILE A 50 4.741 5.626 -12.701 1.00 32.23 H new ATOM 0 HD13 ILE A 50 4.498 4.697 -14.199 1.00 32.23 H new ATOM 783 N GLY A 51 6.715 6.777 -11.125 1.00 10.41 N ATOM 784 CA GLY A 51 5.788 7.080 -10.051 1.00 35.05 C ATOM 785 C GLY A 51 5.949 8.493 -9.526 1.00 20.11 C ATOM 786 O GLY A 51 5.083 9.000 -8.814 1.00 31.53 O ATOM 0 H GLY A 51 7.442 6.103 -10.886 1.00 10.41 H new ATOM 0 HA2 GLY A 51 4.767 6.942 -10.407 1.00 35.05 H new ATOM 0 HA3 GLY A 51 5.939 6.373 -9.235 1.00 35.05 H new ATOM 790 N GLU A 52 7.062 9.130 -9.877 1.00 71.53 N ATOM 791 CA GLU A 52 7.334 10.492 -9.434 1.00 62.22 C ATOM 792 C GLU A 52 6.248 11.448 -9.917 1.00 13.41 C ATOM 793 O GLU A 52 5.980 12.471 -9.286 1.00 32.13 O ATOM 794 CB GLU A 52 8.700 10.954 -9.945 1.00 43.52 C ATOM 795 CG GLU A 52 8.717 11.279 -11.429 1.00 70.15 C ATOM 796 CD GLU A 52 10.119 11.294 -12.008 1.00 33.43 C ATOM 797 OE1 GLU A 52 11.050 11.718 -11.292 1.00 64.42 O ATOM 798 OE2 GLU A 52 10.284 10.882 -13.175 1.00 20.32 O ATOM 0 H GLU A 52 7.789 8.725 -10.466 1.00 71.53 H new ATOM 0 HA GLU A 52 7.340 10.498 -8.344 1.00 62.22 H new ATOM 0 HB2 GLU A 52 9.008 11.837 -9.385 1.00 43.52 H new ATOM 0 HB3 GLU A 52 9.436 10.176 -9.744 1.00 43.52 H new ATOM 0 HG2 GLU A 52 8.115 10.545 -11.965 1.00 70.15 H new ATOM 0 HG3 GLU A 52 8.251 12.251 -11.589 1.00 70.15 H new ATOM 805 N VAL A 53 5.625 11.109 -11.041 1.00 63.23 N ATOM 806 CA VAL A 53 4.568 11.936 -11.609 1.00 74.05 C ATOM 807 C VAL A 53 3.216 11.606 -10.985 1.00 64.45 C ATOM 808 O VAL A 53 2.972 10.489 -10.528 1.00 23.00 O ATOM 809 CB VAL A 53 4.473 11.756 -13.136 1.00 44.13 C ATOM 810 CG1 VAL A 53 5.814 12.051 -13.792 1.00 73.35 C ATOM 811 CG2 VAL A 53 4.000 10.351 -13.479 1.00 2.54 C ATOM 0 H VAL A 53 5.835 10.266 -11.576 1.00 63.23 H new ATOM 0 HA VAL A 53 4.824 12.972 -11.388 1.00 74.05 H new ATOM 0 HB VAL A 53 3.741 12.465 -13.523 1.00 44.13 H new ATOM 0 HG11 VAL A 53 5.728 11.919 -14.871 1.00 73.35 H new ATOM 0 HG12 VAL A 53 6.107 13.078 -13.574 1.00 73.35 H new ATOM 0 HG13 VAL A 53 6.568 11.368 -13.402 1.00 73.35 H new ATOM 0 HG21 VAL A 53 3.939 10.242 -14.562 1.00 2.54 H new ATOM 0 HG22 VAL A 53 4.705 9.622 -13.080 1.00 2.54 H new ATOM 0 HG23 VAL A 53 3.016 10.181 -13.041 1.00 2.54 H new ATOM 821 N PRO A 54 2.315 12.599 -10.966 1.00 21.22 N ATOM 822 CA PRO A 54 0.972 12.438 -10.401 1.00 71.33 C ATOM 823 C PRO A 54 0.093 11.525 -11.249 1.00 74.21 C ATOM 824 O PRO A 54 0.425 11.182 -12.384 1.00 75.10 O ATOM 825 CB PRO A 54 0.415 13.864 -10.398 1.00 23.43 C ATOM 826 CG PRO A 54 1.163 14.565 -11.478 1.00 63.04 C ATOM 827 CD PRO A 54 2.538 13.955 -11.493 1.00 52.44 C ATOM 0 HA PRO A 54 0.997 11.974 -9.415 1.00 71.33 H new ATOM 0 HB2 PRO A 54 -0.658 13.870 -10.591 1.00 23.43 H new ATOM 0 HB3 PRO A 54 0.568 14.347 -9.433 1.00 23.43 H new ATOM 0 HG2 PRO A 54 0.669 14.437 -12.441 1.00 63.04 H new ATOM 0 HG3 PRO A 54 1.214 15.637 -11.285 1.00 63.04 H new ATOM 0 HD2 PRO A 54 2.956 13.931 -12.499 1.00 52.44 H new ATOM 0 HD3 PRO A 54 3.234 14.518 -10.872 1.00 52.44 H new ATOM 835 N PRO A 55 -1.057 11.121 -10.688 1.00 22.22 N ATOM 836 CA PRO A 55 -2.008 10.243 -11.376 1.00 20.12 C ATOM 837 C PRO A 55 -2.707 10.942 -12.537 1.00 22.01 C ATOM 838 O PRO A 55 -3.416 10.309 -13.319 1.00 62.32 O ATOM 839 CB PRO A 55 -3.017 9.886 -10.281 1.00 42.03 C ATOM 840 CG PRO A 55 -2.944 11.018 -9.315 1.00 64.41 C ATOM 841 CD PRO A 55 -1.516 11.491 -9.339 1.00 34.54 C ATOM 0 HA PRO A 55 -1.516 9.378 -11.820 1.00 20.12 H new ATOM 0 HB2 PRO A 55 -4.022 9.778 -10.689 1.00 42.03 H new ATOM 0 HB3 PRO A 55 -2.764 8.940 -9.802 1.00 42.03 H new ATOM 0 HG2 PRO A 55 -3.625 11.819 -9.601 1.00 64.41 H new ATOM 0 HG3 PRO A 55 -3.232 10.696 -8.314 1.00 64.41 H new ATOM 0 HD2 PRO A 55 -1.446 12.566 -9.171 1.00 34.54 H new ATOM 0 HD3 PRO A 55 -0.920 11.008 -8.565 1.00 34.54 H new ATOM 849 N ASP A 56 -2.502 12.250 -12.643 1.00 42.24 N ATOM 850 CA ASP A 56 -3.111 13.035 -13.711 1.00 12.24 C ATOM 851 C ASP A 56 -2.506 12.675 -15.064 1.00 2.13 C ATOM 852 O ASP A 56 -3.152 12.819 -16.101 1.00 34.21 O ATOM 853 CB ASP A 56 -2.932 14.530 -13.439 1.00 73.23 C ATOM 854 CG ASP A 56 -4.121 15.349 -13.902 1.00 73.42 C ATOM 855 OD1 ASP A 56 -5.199 15.231 -13.283 1.00 10.53 O ATOM 856 OD2 ASP A 56 -3.974 16.106 -14.884 1.00 53.04 O ATOM 0 H ASP A 56 -1.919 12.789 -12.003 1.00 42.24 H new ATOM 0 HA ASP A 56 -4.176 12.803 -13.737 1.00 12.24 H new ATOM 0 HB2 ASP A 56 -2.780 14.686 -12.371 1.00 73.23 H new ATOM 0 HB3 ASP A 56 -2.033 14.883 -13.944 1.00 73.23 H new ATOM 861 N GLN A 57 -1.262 12.208 -15.044 1.00 43.12 N ATOM 862 CA GLN A 57 -0.569 11.829 -16.270 1.00 50.52 C ATOM 863 C GLN A 57 -0.785 10.353 -16.584 1.00 32.32 C ATOM 864 O GLN A 57 -0.689 9.931 -17.737 1.00 42.53 O ATOM 865 CB GLN A 57 0.927 12.123 -16.147 1.00 41.22 C ATOM 866 CG GLN A 57 1.289 13.570 -16.442 1.00 64.21 C ATOM 867 CD GLN A 57 2.714 13.907 -16.047 1.00 72.23 C ATOM 868 OE1 GLN A 57 3.664 13.555 -16.747 1.00 51.32 O ATOM 869 NE2 GLN A 57 2.870 14.592 -14.921 1.00 13.33 N ATOM 0 H GLN A 57 -0.713 12.083 -14.193 1.00 43.12 H new ATOM 0 HA GLN A 57 -0.982 12.419 -17.088 1.00 50.52 H new ATOM 0 HB2 GLN A 57 1.256 11.873 -15.138 1.00 41.22 H new ATOM 0 HB3 GLN A 57 1.474 11.474 -16.831 1.00 41.22 H new ATOM 0 HG2 GLN A 57 1.155 13.764 -17.506 1.00 64.21 H new ATOM 0 HG3 GLN A 57 0.603 14.228 -15.909 1.00 64.21 H new ATOM 0 HE21 GLN A 57 2.054 14.863 -14.372 1.00 13.33 H new ATOM 0 HE22 GLN A 57 3.806 14.847 -14.605 1.00 13.33 H new ATOM 878 N LEU A 58 -1.078 9.570 -15.551 1.00 4.43 N ATOM 879 CA LEU A 58 -1.307 8.139 -15.716 1.00 14.34 C ATOM 880 C LEU A 58 -2.343 7.876 -16.804 1.00 62.03 C ATOM 881 O LEU A 58 -3.233 8.693 -17.039 1.00 14.15 O ATOM 882 CB LEU A 58 -1.771 7.522 -14.395 1.00 63.41 C ATOM 883 CG LEU A 58 -0.665 7.047 -13.452 1.00 21.03 C ATOM 884 CD1 LEU A 58 0.347 8.157 -13.214 1.00 63.15 C ATOM 885 CD2 LEU A 58 -1.257 6.572 -12.133 1.00 23.52 C ATOM 0 H LEU A 58 -1.163 9.902 -14.590 1.00 4.43 H new ATOM 0 HA LEU A 58 -0.366 7.677 -16.016 1.00 14.34 H new ATOM 0 HB2 LEU A 58 -2.380 8.256 -13.868 1.00 63.41 H new ATOM 0 HB3 LEU A 58 -2.418 6.674 -14.620 1.00 63.41 H new ATOM 0 HG LEU A 58 -0.150 6.208 -13.920 1.00 21.03 H new ATOM 0 HD11 LEU A 58 1.126 7.800 -12.541 1.00 63.15 H new ATOM 0 HD12 LEU A 58 0.794 8.451 -14.163 1.00 63.15 H new ATOM 0 HD13 LEU A 58 -0.154 9.016 -12.767 1.00 63.15 H new ATOM 0 HD21 LEU A 58 -0.456 6.238 -11.474 1.00 23.52 H new ATOM 0 HD22 LEU A 58 -1.797 7.392 -11.660 1.00 23.52 H new ATOM 0 HD23 LEU A 58 -1.943 5.745 -12.319 1.00 23.52 H new ATOM 897 N ASP A 59 -2.221 6.730 -17.465 1.00 23.13 N ATOM 898 CA ASP A 59 -3.148 6.357 -18.527 1.00 30.24 C ATOM 899 C ASP A 59 -3.882 5.066 -18.178 1.00 71.32 C ATOM 900 O ASP A 59 -3.653 4.475 -17.123 1.00 11.23 O ATOM 901 CB ASP A 59 -2.401 6.192 -19.851 1.00 23.32 C ATOM 902 CG ASP A 59 -3.250 6.574 -21.047 1.00 13.13 C ATOM 903 OD1 ASP A 59 -3.374 7.785 -21.323 1.00 14.42 O ATOM 904 OD2 ASP A 59 -3.792 5.662 -21.706 1.00 51.01 O ATOM 0 H ASP A 59 -1.489 6.043 -17.284 1.00 23.13 H new ATOM 0 HA ASP A 59 -3.883 7.155 -18.631 1.00 30.24 H new ATOM 0 HB2 ASP A 59 -1.502 6.808 -19.836 1.00 23.32 H new ATOM 0 HB3 ASP A 59 -2.077 5.157 -19.955 1.00 23.32 H new ATOM 909 N SER A 60 -4.766 4.634 -19.072 1.00 70.21 N ATOM 910 CA SER A 60 -5.538 3.415 -18.857 1.00 4.30 C ATOM 911 C SER A 60 -4.642 2.183 -18.941 1.00 1.11 C ATOM 912 O SER A 60 -4.918 1.159 -18.317 1.00 1.25 O ATOM 913 CB SER A 60 -6.665 3.312 -19.886 1.00 64.35 C ATOM 914 OG SER A 60 -7.637 2.362 -19.485 1.00 3.24 O ATOM 0 H SER A 60 -4.965 5.110 -19.952 1.00 70.21 H new ATOM 0 HA SER A 60 -5.971 3.460 -17.858 1.00 4.30 H new ATOM 0 HB2 SER A 60 -7.136 4.287 -20.013 1.00 64.35 H new ATOM 0 HB3 SER A 60 -6.253 3.028 -20.854 1.00 64.35 H new ATOM 0 HG SER A 60 -8.347 2.316 -20.159 1.00 3.24 H new ATOM 920 N GLN A 61 -3.569 2.291 -19.717 1.00 44.43 N ATOM 921 CA GLN A 61 -2.632 1.186 -19.884 1.00 13.11 C ATOM 922 C GLN A 61 -1.630 1.144 -18.735 1.00 61.13 C ATOM 923 O GLN A 61 -1.090 0.087 -18.408 1.00 45.05 O ATOM 924 CB GLN A 61 -1.893 1.313 -21.217 1.00 72.42 C ATOM 925 CG GLN A 61 -1.470 -0.023 -21.807 1.00 41.12 C ATOM 926 CD GLN A 61 -0.386 0.120 -22.857 1.00 43.41 C ATOM 927 OE1 GLN A 61 -0.568 -0.268 -24.011 1.00 61.13 O ATOM 928 NE2 GLN A 61 0.751 0.681 -22.462 1.00 24.23 N ATOM 0 H GLN A 61 -3.326 3.132 -20.240 1.00 44.43 H new ATOM 0 HA GLN A 61 -3.201 0.256 -19.880 1.00 13.11 H new ATOM 0 HB2 GLN A 61 -2.535 1.829 -21.931 1.00 72.42 H new ATOM 0 HB3 GLN A 61 -1.009 1.935 -21.075 1.00 72.42 H new ATOM 0 HG2 GLN A 61 -1.113 -0.672 -21.008 1.00 41.12 H new ATOM 0 HG3 GLN A 61 -2.338 -0.511 -22.250 1.00 41.12 H new ATOM 0 HE21 GLN A 61 0.859 0.988 -21.495 1.00 24.23 H new ATOM 0 HE22 GLN A 61 1.516 0.805 -23.125 1.00 24.23 H new ATOM 937 N ASP A 62 -1.386 2.299 -18.127 1.00 11.31 N ATOM 938 CA ASP A 62 -0.449 2.394 -17.014 1.00 3.52 C ATOM 939 C ASP A 62 -0.826 1.422 -15.901 1.00 31.31 C ATOM 940 O ASP A 62 0.028 0.723 -15.356 1.00 25.12 O ATOM 941 CB ASP A 62 -0.414 3.823 -16.469 1.00 50.31 C ATOM 942 CG ASP A 62 0.597 4.693 -17.190 1.00 3.14 C ATOM 943 OD1 ASP A 62 0.425 4.921 -18.406 1.00 23.43 O ATOM 944 OD2 ASP A 62 1.560 5.147 -16.537 1.00 63.03 O ATOM 0 H ASP A 62 -1.824 3.183 -18.386 1.00 11.31 H new ATOM 0 HA ASP A 62 0.542 2.129 -17.383 1.00 3.52 H new ATOM 0 HB2 ASP A 62 -1.404 4.269 -16.562 1.00 50.31 H new ATOM 0 HB3 ASP A 62 -0.175 3.798 -15.406 1.00 50.31 H new ATOM 949 N LYS A 63 -2.112 1.382 -15.567 1.00 43.43 N ATOM 950 CA LYS A 63 -2.604 0.496 -14.520 1.00 21.24 C ATOM 951 C LYS A 63 -2.372 -0.966 -14.890 1.00 55.43 C ATOM 952 O LYS A 63 -2.078 -1.796 -14.029 1.00 40.04 O ATOM 953 CB LYS A 63 -4.094 0.741 -14.274 1.00 75.23 C ATOM 954 CG LYS A 63 -4.428 2.187 -13.953 1.00 13.23 C ATOM 955 CD LYS A 63 -3.832 2.615 -12.622 1.00 62.41 C ATOM 956 CE LYS A 63 -4.583 1.999 -11.451 1.00 42.13 C ATOM 957 NZ LYS A 63 -4.174 2.601 -10.152 1.00 51.20 N ATOM 0 H LYS A 63 -2.832 1.954 -16.007 1.00 43.43 H new ATOM 0 HA LYS A 63 -2.051 0.713 -13.606 1.00 21.24 H new ATOM 0 HB2 LYS A 63 -4.655 0.435 -15.157 1.00 75.23 H new ATOM 0 HB3 LYS A 63 -4.426 0.109 -13.451 1.00 75.23 H new ATOM 0 HG2 LYS A 63 -4.051 2.833 -14.746 1.00 13.23 H new ATOM 0 HG3 LYS A 63 -5.510 2.314 -13.926 1.00 13.23 H new ATOM 0 HD2 LYS A 63 -2.784 2.319 -12.580 1.00 62.41 H new ATOM 0 HD3 LYS A 63 -3.860 3.702 -12.542 1.00 62.41 H new ATOM 0 HE2 LYS A 63 -5.655 2.137 -11.594 1.00 42.13 H new ATOM 0 HE3 LYS A 63 -4.400 0.925 -11.427 1.00 42.13 H new ATOM 0 HZ1 LYS A 63 -4.708 2.155 -9.379 1.00 51.20 H new ATOM 0 HZ2 LYS A 63 -3.156 2.447 -10.003 1.00 51.20 H new ATOM 0 HZ3 LYS A 63 -4.372 3.622 -10.165 1.00 51.20 H new ATOM 971 N LEU A 64 -2.506 -1.273 -16.176 1.00 21.34 N ATOM 972 CA LEU A 64 -2.310 -2.635 -16.661 1.00 25.13 C ATOM 973 C LEU A 64 -0.825 -2.975 -16.744 1.00 42.55 C ATOM 974 O LEU A 64 -0.439 -4.140 -16.658 1.00 21.32 O ATOM 975 CB LEU A 64 -2.962 -2.808 -18.033 1.00 50.55 C ATOM 976 CG LEU A 64 -4.445 -3.182 -18.030 1.00 3.43 C ATOM 977 CD1 LEU A 64 -5.310 -1.932 -17.970 1.00 31.51 C ATOM 978 CD2 LEU A 64 -4.788 -4.012 -19.257 1.00 72.44 C ATOM 0 H LEU A 64 -2.749 -0.598 -16.901 1.00 21.34 H new ATOM 0 HA LEU A 64 -2.781 -3.317 -15.954 1.00 25.13 H new ATOM 0 HB2 LEU A 64 -2.844 -1.878 -18.589 1.00 50.55 H new ATOM 0 HB3 LEU A 64 -2.415 -3.577 -18.578 1.00 50.55 H new ATOM 0 HG LEU A 64 -4.647 -3.782 -17.143 1.00 3.43 H new ATOM 0 HD11 LEU A 64 -6.362 -2.217 -17.969 1.00 31.51 H new ATOM 0 HD12 LEU A 64 -5.084 -1.376 -17.060 1.00 31.51 H new ATOM 0 HD13 LEU A 64 -5.105 -1.306 -18.838 1.00 31.51 H new ATOM 0 HD21 LEU A 64 -5.847 -4.269 -19.238 1.00 72.44 H new ATOM 0 HD22 LEU A 64 -4.570 -3.438 -20.157 1.00 72.44 H new ATOM 0 HD23 LEU A 64 -4.193 -4.925 -19.256 1.00 72.44 H new ATOM 990 N TRP A 65 0.002 -1.949 -16.911 1.00 64.13 N ATOM 991 CA TRP A 65 1.446 -2.139 -17.004 1.00 54.13 C ATOM 992 C TRP A 65 1.989 -2.809 -15.747 1.00 74.22 C ATOM 993 O TRP A 65 2.849 -3.685 -15.823 1.00 24.45 O ATOM 994 CB TRP A 65 2.144 -0.796 -17.224 1.00 1.05 C ATOM 995 CG TRP A 65 3.638 -0.905 -17.277 1.00 30.20 C ATOM 996 CD1 TRP A 65 4.367 -1.990 -17.672 1.00 73.44 C ATOM 997 CD2 TRP A 65 4.585 0.108 -16.921 1.00 54.21 C ATOM 998 NE1 TRP A 65 5.710 -1.713 -17.584 1.00 15.42 N ATOM 999 CE2 TRP A 65 5.870 -0.431 -17.126 1.00 75.43 C ATOM 1000 CE3 TRP A 65 4.472 1.419 -16.451 1.00 41.42 C ATOM 1001 CZ2 TRP A 65 7.030 0.295 -16.876 1.00 44.41 C ATOM 1002 CZ3 TRP A 65 5.625 2.139 -16.203 1.00 42.30 C ATOM 1003 CH2 TRP A 65 6.891 1.577 -16.416 1.00 73.35 C ATOM 0 H TRP A 65 -0.302 -0.978 -16.985 1.00 64.13 H new ATOM 0 HA TRP A 65 1.648 -2.789 -17.855 1.00 54.13 H new ATOM 0 HB2 TRP A 65 1.786 -0.357 -18.155 1.00 1.05 H new ATOM 0 HB3 TRP A 65 1.865 -0.114 -16.421 1.00 1.05 H new ATOM 0 HD1 TRP A 65 3.949 -2.929 -18.005 1.00 73.44 H new ATOM 0 HE1 TRP A 65 6.465 -2.357 -17.821 1.00 15.42 H new ATOM 0 HE3 TRP A 65 3.501 1.862 -16.285 1.00 41.42 H new ATOM 0 HZ2 TRP A 65 8.006 -0.138 -17.039 1.00 44.41 H new ATOM 0 HZ3 TRP A 65 5.549 3.153 -15.839 1.00 42.30 H new ATOM 0 HH2 TRP A 65 7.773 2.166 -16.214 1.00 73.35 H new ATOM 1014 N ALA A 66 1.480 -2.392 -14.592 1.00 50.15 N ATOM 1015 CA ALA A 66 1.913 -2.954 -13.319 1.00 60.33 C ATOM 1016 C ALA A 66 1.413 -4.385 -13.153 1.00 33.14 C ATOM 1017 O ALA A 66 2.109 -5.236 -12.598 1.00 12.42 O ATOM 1018 CB ALA A 66 1.429 -2.086 -12.167 1.00 63.31 C ATOM 0 H ALA A 66 0.767 -1.667 -14.512 1.00 50.15 H new ATOM 0 HA ALA A 66 3.003 -2.974 -13.310 1.00 60.33 H new ATOM 0 HB1 ALA A 66 1.760 -2.518 -11.222 1.00 63.31 H new ATOM 0 HB2 ALA A 66 1.840 -1.082 -12.271 1.00 63.31 H new ATOM 0 HB3 ALA A 66 0.340 -2.036 -12.182 1.00 63.31 H new ATOM 1024 N ASP A 67 0.202 -4.644 -13.635 1.00 43.53 N ATOM 1025 CA ASP A 67 -0.391 -5.972 -13.540 1.00 32.11 C ATOM 1026 C ASP A 67 0.277 -6.937 -14.514 1.00 24.21 C ATOM 1027 O ASP A 67 0.360 -8.137 -14.254 1.00 62.12 O ATOM 1028 CB ASP A 67 -1.893 -5.904 -13.820 1.00 33.30 C ATOM 1029 CG ASP A 67 -2.551 -7.270 -13.786 1.00 42.03 C ATOM 1030 OD1 ASP A 67 -2.297 -8.027 -12.826 1.00 12.50 O ATOM 1031 OD2 ASP A 67 -3.318 -7.583 -14.721 1.00 13.41 O ATOM 0 H ASP A 67 -0.388 -3.951 -14.096 1.00 43.53 H new ATOM 0 HA ASP A 67 -0.234 -6.341 -12.526 1.00 32.11 H new ATOM 0 HB2 ASP A 67 -2.368 -5.257 -13.083 1.00 33.30 H new ATOM 0 HB3 ASP A 67 -2.057 -5.449 -14.797 1.00 33.30 H new ATOM 1036 N GLU A 68 0.751 -6.404 -15.636 1.00 25.23 N ATOM 1037 CA GLU A 68 1.411 -7.220 -16.649 1.00 12.41 C ATOM 1038 C GLU A 68 2.576 -7.999 -16.046 1.00 70.33 C ATOM 1039 O GLU A 68 2.886 -9.108 -16.481 1.00 23.51 O ATOM 1040 CB GLU A 68 1.911 -6.340 -17.797 1.00 72.20 C ATOM 1041 CG GLU A 68 0.841 -6.017 -18.826 1.00 51.33 C ATOM 1042 CD GLU A 68 1.247 -4.888 -19.755 1.00 33.44 C ATOM 1043 OE1 GLU A 68 2.358 -4.347 -19.581 1.00 24.20 O ATOM 1044 OE2 GLU A 68 0.452 -4.547 -20.655 1.00 75.12 O ATOM 0 H GLU A 68 0.690 -5.412 -15.866 1.00 25.23 H new ATOM 0 HA GLU A 68 0.683 -7.932 -17.037 1.00 12.41 H new ATOM 0 HB2 GLU A 68 2.301 -5.409 -17.386 1.00 72.20 H new ATOM 0 HB3 GLU A 68 2.741 -6.842 -18.294 1.00 72.20 H new ATOM 0 HG2 GLU A 68 0.628 -6.909 -19.415 1.00 51.33 H new ATOM 0 HG3 GLU A 68 -0.082 -5.746 -18.313 1.00 51.33 H new ATOM 1051 N VAL A 69 3.218 -7.410 -15.043 1.00 23.35 N ATOM 1052 CA VAL A 69 4.349 -8.049 -14.379 1.00 51.41 C ATOM 1053 C VAL A 69 3.883 -9.162 -13.448 1.00 74.22 C ATOM 1054 O VAL A 69 4.569 -10.169 -13.276 1.00 22.40 O ATOM 1055 CB VAL A 69 5.173 -7.030 -13.570 1.00 2.40 C ATOM 1056 CG1 VAL A 69 6.340 -7.716 -12.877 1.00 64.45 C ATOM 1057 CG2 VAL A 69 5.663 -5.906 -14.471 1.00 22.11 C ATOM 0 H VAL A 69 2.975 -6.492 -14.672 1.00 23.35 H new ATOM 0 HA VAL A 69 4.977 -8.474 -15.162 1.00 51.41 H new ATOM 0 HB VAL A 69 4.531 -6.597 -12.803 1.00 2.40 H new ATOM 0 HG11 VAL A 69 6.910 -6.980 -12.310 1.00 64.45 H new ATOM 0 HG12 VAL A 69 5.962 -8.482 -12.200 1.00 64.45 H new ATOM 0 HG13 VAL A 69 6.985 -8.179 -13.624 1.00 64.45 H new ATOM 0 HG21 VAL A 69 6.243 -5.195 -13.883 1.00 22.11 H new ATOM 0 HG22 VAL A 69 6.289 -6.320 -15.261 1.00 22.11 H new ATOM 0 HG23 VAL A 69 4.808 -5.397 -14.915 1.00 22.11 H new ATOM 1067 N ARG A 70 2.711 -8.974 -12.850 1.00 74.33 N ATOM 1068 CA ARG A 70 2.152 -9.963 -11.936 1.00 2.12 C ATOM 1069 C ARG A 70 2.136 -11.348 -12.576 1.00 44.10 C ATOM 1070 O ARG A 70 2.501 -12.338 -11.944 1.00 24.25 O ATOM 1071 CB ARG A 70 0.734 -9.564 -11.523 1.00 42.34 C ATOM 1072 CG ARG A 70 0.653 -8.194 -10.870 1.00 52.21 C ATOM 1073 CD ARG A 70 0.788 -8.289 -9.358 1.00 51.54 C ATOM 1074 NE ARG A 70 -0.437 -8.774 -8.729 1.00 30.23 N ATOM 1075 CZ ARG A 70 -1.524 -8.029 -8.565 1.00 14.01 C ATOM 1076 NH1 ARG A 70 -1.539 -6.771 -8.983 1.00 0.34 N ATOM 1077 NH2 ARG A 70 -2.601 -8.542 -7.983 1.00 24.53 N ATOM 0 H ARG A 70 2.130 -8.146 -12.982 1.00 74.33 H new ATOM 0 HA ARG A 70 2.785 -9.999 -11.049 1.00 2.12 H new ATOM 0 HB2 ARG A 70 0.091 -9.576 -12.403 1.00 42.34 H new ATOM 0 HB3 ARG A 70 0.342 -10.310 -10.832 1.00 42.34 H new ATOM 0 HG2 ARG A 70 1.440 -7.553 -11.267 1.00 52.21 H new ATOM 0 HG3 ARG A 70 -0.298 -7.725 -11.123 1.00 52.21 H new ATOM 0 HD2 ARG A 70 1.612 -8.957 -9.109 1.00 51.54 H new ATOM 0 HD3 ARG A 70 1.039 -7.308 -8.954 1.00 51.54 H new ATOM 0 HE ARG A 70 -0.459 -9.738 -8.397 1.00 30.23 H new ATOM 0 HH11 ARG A 70 -0.714 -6.373 -9.432 1.00 0.34 H new ATOM 0 HH12 ARG A 70 -2.375 -6.201 -8.856 1.00 0.34 H new ATOM 0 HH21 ARG A 70 -2.595 -9.510 -7.661 1.00 24.53 H new ATOM 0 HH22 ARG A 70 -3.435 -7.968 -7.858 1.00 24.53 H new ATOM 1091 N GLU A 71 1.710 -11.408 -13.834 1.00 24.01 N ATOM 1092 CA GLU A 71 1.646 -12.672 -14.558 1.00 50.13 C ATOM 1093 C GLU A 71 2.986 -13.400 -14.503 1.00 1.32 C ATOM 1094 O GLU A 71 3.037 -14.630 -14.495 1.00 23.43 O ATOM 1095 CB GLU A 71 1.244 -12.431 -16.015 1.00 2.51 C ATOM 1096 CG GLU A 71 2.397 -11.986 -16.899 1.00 4.13 C ATOM 1097 CD GLU A 71 1.937 -11.179 -18.097 1.00 14.21 C ATOM 1098 OE1 GLU A 71 0.718 -10.930 -18.211 1.00 31.52 O ATOM 1099 OE2 GLU A 71 2.794 -10.796 -18.920 1.00 53.02 O ATOM 0 H GLU A 71 1.405 -10.597 -14.372 1.00 24.01 H new ATOM 0 HA GLU A 71 0.893 -13.297 -14.079 1.00 50.13 H new ATOM 0 HB2 GLU A 71 0.818 -13.348 -16.422 1.00 2.51 H new ATOM 0 HB3 GLU A 71 0.460 -11.674 -16.046 1.00 2.51 H new ATOM 0 HG2 GLU A 71 3.092 -11.389 -16.309 1.00 4.13 H new ATOM 0 HG3 GLU A 71 2.944 -12.863 -17.245 1.00 4.13 H new ATOM 1106 N LEU A 72 4.069 -12.631 -14.465 1.00 52.03 N ATOM 1107 CA LEU A 72 5.411 -13.201 -14.411 1.00 75.21 C ATOM 1108 C LEU A 72 5.698 -13.787 -13.032 1.00 50.14 C ATOM 1109 O LEU A 72 6.426 -14.771 -12.905 1.00 22.14 O ATOM 1110 CB LEU A 72 6.453 -12.135 -14.753 1.00 22.35 C ATOM 1111 CG LEU A 72 7.244 -12.359 -16.042 1.00 50.40 C ATOM 1112 CD1 LEU A 72 7.924 -13.719 -16.023 1.00 13.14 C ATOM 1113 CD2 LEU A 72 6.333 -12.233 -17.255 1.00 4.43 C ATOM 0 H LEU A 72 4.044 -11.611 -14.471 1.00 52.03 H new ATOM 0 HA LEU A 72 5.468 -14.004 -15.145 1.00 75.21 H new ATOM 0 HB2 LEU A 72 5.948 -11.171 -14.823 1.00 22.35 H new ATOM 0 HB3 LEU A 72 7.158 -12.066 -13.925 1.00 22.35 H new ATOM 0 HG LEU A 72 8.015 -11.592 -16.110 1.00 50.40 H new ATOM 0 HD11 LEU A 72 8.482 -13.860 -16.949 1.00 13.14 H new ATOM 0 HD12 LEU A 72 8.608 -13.772 -15.176 1.00 13.14 H new ATOM 0 HD13 LEU A 72 7.171 -14.501 -15.931 1.00 13.14 H new ATOM 0 HD21 LEU A 72 6.913 -12.395 -18.164 1.00 4.43 H new ATOM 0 HD22 LEU A 72 5.539 -12.978 -17.193 1.00 4.43 H new ATOM 0 HD23 LEU A 72 5.894 -11.236 -17.278 1.00 4.43 H new ATOM 1125 N SER A 73 5.119 -13.176 -12.003 1.00 63.33 N ATOM 1126 CA SER A 73 5.315 -13.636 -10.633 1.00 75.14 C ATOM 1127 C SER A 73 5.007 -15.126 -10.511 1.00 41.53 C ATOM 1128 O SER A 73 5.718 -15.864 -9.829 1.00 43.32 O ATOM 1129 CB SER A 73 4.427 -12.840 -9.674 1.00 71.45 C ATOM 1130 OG SER A 73 3.135 -13.415 -9.580 1.00 10.11 O ATOM 0 H SER A 73 4.511 -12.362 -12.092 1.00 63.33 H new ATOM 0 HA SER A 73 6.360 -13.476 -10.368 1.00 75.14 H new ATOM 0 HB2 SER A 73 4.888 -12.810 -8.687 1.00 71.45 H new ATOM 0 HB3 SER A 73 4.346 -11.809 -10.019 1.00 71.45 H new ATOM 0 HG SER A 73 2.592 -13.125 -10.342 1.00 10.11 H new ATOM 1136 N TYR A 74 3.943 -15.560 -11.177 1.00 50.21 N ATOM 1137 CA TYR A 74 3.539 -16.960 -11.142 1.00 74.21 C ATOM 1138 C TYR A 74 4.673 -17.867 -11.609 1.00 43.22 C ATOM 1139 O TYR A 74 4.828 -18.988 -11.124 1.00 42.41 O ATOM 1140 CB TYR A 74 2.303 -17.178 -12.018 1.00 25.23 C ATOM 1141 CG TYR A 74 1.028 -16.637 -11.412 1.00 5.52 C ATOM 1142 CD1 TYR A 74 0.686 -16.922 -10.096 1.00 11.23 C ATOM 1143 CD2 TYR A 74 0.166 -15.841 -12.155 1.00 50.53 C ATOM 1144 CE1 TYR A 74 -0.478 -16.430 -9.538 1.00 13.31 C ATOM 1145 CE2 TYR A 74 -0.999 -15.343 -11.605 1.00 54.13 C ATOM 1146 CZ TYR A 74 -1.317 -15.640 -10.297 1.00 33.45 C ATOM 1147 OH TYR A 74 -2.478 -15.148 -9.746 1.00 11.15 O ATOM 0 H TYR A 74 3.345 -14.962 -11.748 1.00 50.21 H new ATOM 0 HA TYR A 74 3.296 -17.215 -10.111 1.00 74.21 H new ATOM 0 HB2 TYR A 74 2.465 -16.703 -12.986 1.00 25.23 H new ATOM 0 HB3 TYR A 74 2.183 -18.245 -12.203 1.00 25.23 H new ATOM 0 HD1 TYR A 74 1.341 -17.539 -9.499 1.00 11.23 H new ATOM 0 HD2 TYR A 74 0.411 -15.607 -13.181 1.00 50.53 H new ATOM 0 HE1 TYR A 74 -0.730 -16.662 -8.514 1.00 13.31 H new ATOM 0 HE2 TYR A 74 -1.657 -14.724 -12.197 1.00 54.13 H new ATOM 0 HH TYR A 74 -2.954 -14.610 -10.413 1.00 11.15 H new ATOM 1157 N VAL A 75 5.466 -17.372 -12.555 1.00 72.42 N ATOM 1158 CA VAL A 75 6.588 -18.135 -13.088 1.00 61.40 C ATOM 1159 C VAL A 75 7.763 -18.137 -12.116 1.00 15.21 C ATOM 1160 O VAL A 75 8.509 -19.112 -12.030 1.00 71.50 O ATOM 1161 CB VAL A 75 7.058 -17.572 -14.442 1.00 55.53 C ATOM 1162 CG1 VAL A 75 8.112 -18.476 -15.061 1.00 61.40 C ATOM 1163 CG2 VAL A 75 5.876 -17.395 -15.384 1.00 12.12 C ATOM 0 H VAL A 75 5.352 -16.446 -12.968 1.00 72.42 H new ATOM 0 HA VAL A 75 6.236 -19.157 -13.230 1.00 61.40 H new ATOM 0 HB VAL A 75 7.508 -16.594 -14.272 1.00 55.53 H new ATOM 0 HG11 VAL A 75 8.431 -18.061 -16.017 1.00 61.40 H new ATOM 0 HG12 VAL A 75 8.969 -18.547 -14.392 1.00 61.40 H new ATOM 0 HG13 VAL A 75 7.692 -19.469 -15.219 1.00 61.40 H new ATOM 0 HG21 VAL A 75 6.226 -16.996 -16.336 1.00 12.12 H new ATOM 0 HG22 VAL A 75 5.395 -18.359 -15.549 1.00 12.12 H new ATOM 0 HG23 VAL A 75 5.159 -16.703 -14.942 1.00 12.12 H new ATOM 1173 N ILE A 76 7.920 -17.038 -11.385 1.00 60.24 N ATOM 1174 CA ILE A 76 9.003 -16.914 -10.418 1.00 0.42 C ATOM 1175 C ILE A 76 8.910 -17.995 -9.346 1.00 50.43 C ATOM 1176 O ILE A 76 9.924 -18.439 -8.810 1.00 64.34 O ATOM 1177 CB ILE A 76 8.995 -15.531 -9.739 1.00 32.44 C ATOM 1178 CG1 ILE A 76 9.136 -14.424 -10.785 1.00 4.11 C ATOM 1179 CG2 ILE A 76 10.111 -15.441 -8.709 1.00 1.41 C ATOM 1180 CD1 ILE A 76 9.059 -13.030 -10.203 1.00 44.32 C ATOM 0 H ILE A 76 7.311 -16.222 -11.444 1.00 60.24 H new ATOM 0 HA ILE A 76 9.935 -17.034 -10.971 1.00 0.42 H new ATOM 0 HB ILE A 76 8.042 -15.399 -9.226 1.00 32.44 H new ATOM 0 HG12 ILE A 76 10.089 -14.542 -11.301 1.00 4.11 H new ATOM 0 HG13 ILE A 76 8.352 -14.540 -11.533 1.00 4.11 H new ATOM 0 HG21 ILE A 76 10.093 -14.458 -8.238 1.00 1.41 H new ATOM 0 HG22 ILE A 76 9.969 -16.210 -7.950 1.00 1.41 H new ATOM 0 HG23 ILE A 76 11.073 -15.590 -9.200 1.00 1.41 H new ATOM 0 HD11 ILE A 76 9.167 -12.296 -11.002 1.00 44.32 H new ATOM 0 HD12 ILE A 76 8.096 -12.893 -9.712 1.00 44.32 H new ATOM 0 HD13 ILE A 76 9.859 -12.895 -9.476 1.00 44.32 H new ATOM 1192 N GLU A 77 7.686 -18.414 -9.041 1.00 11.21 N ATOM 1193 CA GLU A 77 7.461 -19.444 -8.034 1.00 22.12 C ATOM 1194 C GLU A 77 8.316 -20.676 -8.316 1.00 21.32 C ATOM 1195 O GLU A 77 8.786 -21.343 -7.394 1.00 33.32 O ATOM 1196 CB GLU A 77 5.982 -19.834 -7.993 1.00 22.52 C ATOM 1197 CG GLU A 77 5.641 -20.812 -6.881 1.00 25.41 C ATOM 1198 CD GLU A 77 4.274 -21.444 -7.058 1.00 2.30 C ATOM 1199 OE1 GLU A 77 3.554 -21.045 -7.997 1.00 44.44 O ATOM 1200 OE2 GLU A 77 3.924 -22.336 -6.258 1.00 11.12 O ATOM 0 H GLU A 77 6.836 -18.056 -9.476 1.00 11.21 H new ATOM 0 HA GLU A 77 7.749 -19.038 -7.064 1.00 22.12 H new ATOM 0 HB2 GLU A 77 5.381 -18.933 -7.870 1.00 22.52 H new ATOM 0 HB3 GLU A 77 5.704 -20.274 -8.951 1.00 22.52 H new ATOM 0 HG2 GLU A 77 6.398 -21.596 -6.847 1.00 25.41 H new ATOM 0 HG3 GLU A 77 5.676 -20.293 -5.923 1.00 25.41 H new ATOM 1207 N ASP A 78 8.513 -20.972 -9.596 1.00 12.02 N ATOM 1208 CA ASP A 78 9.311 -22.123 -10.001 1.00 22.24 C ATOM 1209 C ASP A 78 10.730 -22.022 -9.448 1.00 74.23 C ATOM 1210 O ASP A 78 11.353 -23.032 -9.124 1.00 22.14 O ATOM 1211 CB ASP A 78 9.351 -22.232 -11.526 1.00 21.33 C ATOM 1212 CG ASP A 78 9.606 -23.650 -11.998 1.00 45.03 C ATOM 1213 OD1 ASP A 78 8.624 -24.397 -12.190 1.00 45.24 O ATOM 1214 OD2 ASP A 78 10.788 -24.013 -12.175 1.00 44.02 O ATOM 0 H ASP A 78 8.131 -20.430 -10.371 1.00 12.02 H new ATOM 0 HA ASP A 78 8.844 -23.019 -9.593 1.00 22.24 H new ATOM 0 HB2 ASP A 78 8.405 -21.880 -11.938 1.00 21.33 H new ATOM 0 HB3 ASP A 78 10.131 -21.577 -11.914 1.00 21.33 H new ATOM 1219 N ALA A 79 11.233 -20.797 -9.346 1.00 3.44 N ATOM 1220 CA ALA A 79 12.577 -20.564 -8.832 1.00 3.41 C ATOM 1221 C ALA A 79 12.772 -21.237 -7.478 1.00 12.24 C ATOM 1222 O ALA A 79 13.765 -21.929 -7.254 1.00 72.31 O ATOM 1223 CB ALA A 79 12.850 -19.070 -8.725 1.00 61.53 C ATOM 0 H ALA A 79 10.730 -19.950 -9.612 1.00 3.44 H new ATOM 0 HA ALA A 79 13.288 -21.003 -9.532 1.00 3.41 H new ATOM 0 HB1 ALA A 79 13.857 -18.911 -8.340 1.00 61.53 H new ATOM 0 HB2 ALA A 79 12.762 -18.613 -9.710 1.00 61.53 H new ATOM 0 HB3 ALA A 79 12.127 -18.616 -8.048 1.00 61.53 H new ATOM 1229 N VAL A 80 11.818 -21.029 -6.576 1.00 14.52 N ATOM 1230 CA VAL A 80 11.884 -21.616 -5.243 1.00 11.20 C ATOM 1231 C VAL A 80 11.359 -23.047 -5.246 1.00 54.03 C ATOM 1232 O VAL A 80 11.740 -23.861 -4.405 1.00 62.24 O ATOM 1233 CB VAL A 80 11.079 -20.788 -4.224 1.00 1.50 C ATOM 1234 CG1 VAL A 80 11.702 -19.411 -4.043 1.00 74.54 C ATOM 1235 CG2 VAL A 80 9.627 -20.671 -4.661 1.00 34.41 C ATOM 0 H VAL A 80 10.990 -20.458 -6.744 1.00 14.52 H new ATOM 0 HA VAL A 80 12.934 -21.618 -4.950 1.00 11.20 H new ATOM 0 HB VAL A 80 11.105 -21.302 -3.263 1.00 1.50 H new ATOM 0 HG11 VAL A 80 11.120 -18.840 -3.320 1.00 74.54 H new ATOM 0 HG12 VAL A 80 12.725 -19.519 -3.681 1.00 74.54 H new ATOM 0 HG13 VAL A 80 11.708 -18.886 -4.998 1.00 74.54 H new ATOM 0 HG21 VAL A 80 9.073 -20.083 -3.929 1.00 34.41 H new ATOM 0 HG22 VAL A 80 9.578 -20.180 -5.633 1.00 34.41 H new ATOM 0 HG23 VAL A 80 9.188 -21.666 -4.734 1.00 34.41 H new ATOM 1245 N ASP A 81 10.481 -23.347 -6.198 1.00 5.02 N ATOM 1246 CA ASP A 81 9.904 -24.681 -6.312 1.00 61.23 C ATOM 1247 C ASP A 81 10.998 -25.738 -6.431 1.00 74.23 C ATOM 1248 O ASP A 81 10.813 -26.886 -6.027 1.00 24.34 O ATOM 1249 CB ASP A 81 8.972 -24.755 -7.523 1.00 4.20 C ATOM 1250 CG ASP A 81 8.092 -25.989 -7.502 1.00 13.43 C ATOM 1251 OD1 ASP A 81 7.965 -26.609 -6.425 1.00 14.20 O ATOM 1252 OD2 ASP A 81 7.529 -26.334 -8.561 1.00 51.45 O ATOM 0 H ASP A 81 10.154 -22.684 -6.901 1.00 5.02 H new ATOM 0 HA ASP A 81 9.329 -24.880 -5.408 1.00 61.23 H new ATOM 0 HB2 ASP A 81 8.344 -23.865 -7.549 1.00 4.20 H new ATOM 0 HB3 ASP A 81 9.567 -24.752 -8.436 1.00 4.20 H new ATOM 1257 N LYS A 82 12.136 -25.343 -6.990 1.00 65.54 N ATOM 1258 CA LYS A 82 13.261 -26.255 -7.163 1.00 72.55 C ATOM 1259 C LYS A 82 13.659 -26.887 -5.833 1.00 75.44 C ATOM 1260 O LYS A 82 14.014 -28.065 -5.776 1.00 14.13 O ATOM 1261 CB LYS A 82 14.457 -25.515 -7.766 1.00 52.12 C ATOM 1262 CG LYS A 82 14.163 -24.880 -9.114 1.00 74.45 C ATOM 1263 CD LYS A 82 14.163 -25.913 -10.229 1.00 33.42 C ATOM 1264 CE LYS A 82 15.090 -25.508 -11.364 1.00 71.24 C ATOM 1265 NZ LYS A 82 14.465 -25.733 -12.697 1.00 44.14 N ATOM 0 H LYS A 82 12.304 -24.397 -7.331 1.00 65.54 H new ATOM 0 HA LYS A 82 12.951 -27.048 -7.844 1.00 72.55 H new ATOM 0 HB2 LYS A 82 14.782 -24.740 -7.072 1.00 52.12 H new ATOM 0 HB3 LYS A 82 15.287 -26.213 -7.876 1.00 52.12 H new ATOM 0 HG2 LYS A 82 13.194 -24.381 -9.079 1.00 74.45 H new ATOM 0 HG3 LYS A 82 14.908 -24.114 -9.327 1.00 74.45 H new ATOM 0 HD2 LYS A 82 14.474 -26.879 -9.831 1.00 33.42 H new ATOM 0 HD3 LYS A 82 13.150 -26.037 -10.612 1.00 33.42 H new ATOM 0 HE2 LYS A 82 15.354 -24.456 -11.260 1.00 71.24 H new ATOM 0 HE3 LYS A 82 16.017 -26.077 -11.297 1.00 71.24 H new ATOM 0 HZ1 LYS A 82 15.142 -26.217 -13.321 1.00 44.14 H new ATOM 0 HZ2 LYS A 82 13.615 -26.321 -12.587 1.00 44.14 H new ATOM 0 HZ3 LYS A 82 14.201 -24.818 -13.116 1.00 44.14 H new ATOM 1279 N PHE A 83 13.595 -26.098 -4.766 1.00 63.11 N ATOM 1280 CA PHE A 83 13.948 -26.581 -3.436 1.00 44.02 C ATOM 1281 C PHE A 83 12.917 -27.585 -2.930 1.00 55.33 C ATOM 1282 O PHE A 83 13.256 -28.548 -2.241 1.00 11.50 O ATOM 1283 CB PHE A 83 14.059 -25.410 -2.458 1.00 44.40 C ATOM 1284 CG PHE A 83 14.904 -25.712 -1.254 1.00 24.33 C ATOM 1285 CD1 PHE A 83 14.403 -26.479 -0.214 1.00 52.21 C ATOM 1286 CD2 PHE A 83 16.200 -25.231 -1.162 1.00 23.05 C ATOM 1287 CE1 PHE A 83 15.178 -26.758 0.896 1.00 61.05 C ATOM 1288 CE2 PHE A 83 16.981 -25.507 -0.055 1.00 35.45 C ATOM 1289 CZ PHE A 83 16.469 -26.273 0.975 1.00 51.21 C ATOM 0 H PHE A 83 13.302 -25.121 -4.796 1.00 63.11 H new ATOM 0 HA PHE A 83 14.914 -27.082 -3.503 1.00 44.02 H new ATOM 0 HB2 PHE A 83 14.479 -24.550 -2.980 1.00 44.40 H new ATOM 0 HB3 PHE A 83 13.059 -25.126 -2.128 1.00 44.40 H new ATOM 0 HD1 PHE A 83 13.395 -26.863 -0.272 1.00 52.21 H new ATOM 0 HD2 PHE A 83 16.605 -24.633 -1.965 1.00 23.05 H new ATOM 0 HE1 PHE A 83 14.775 -27.355 1.701 1.00 61.05 H new ATOM 0 HE2 PHE A 83 17.989 -25.125 0.005 1.00 35.45 H new ATOM 0 HZ PHE A 83 17.077 -26.492 1.840 1.00 51.21 H new ATOM 1299 N LEU A 84 11.655 -27.353 -3.277 1.00 2.44 N ATOM 1300 CA LEU A 84 10.572 -28.235 -2.858 1.00 30.51 C ATOM 1301 C LEU A 84 10.570 -29.522 -3.678 1.00 0.32 C ATOM 1302 O LEU A 84 10.231 -30.592 -3.172 1.00 64.04 O ATOM 1303 CB LEU A 84 9.225 -27.525 -3.000 1.00 12.24 C ATOM 1304 CG LEU A 84 9.161 -26.094 -2.463 1.00 71.34 C ATOM 1305 CD1 LEU A 84 7.789 -25.490 -2.718 1.00 40.51 C ATOM 1306 CD2 LEU A 84 9.491 -26.066 -0.978 1.00 72.21 C ATOM 0 H LEU A 84 11.357 -26.561 -3.847 1.00 2.44 H new ATOM 0 HA LEU A 84 10.731 -28.493 -1.811 1.00 30.51 H new ATOM 0 HB2 LEU A 84 8.955 -27.508 -4.056 1.00 12.24 H new ATOM 0 HB3 LEU A 84 8.468 -28.119 -2.487 1.00 12.24 H new ATOM 0 HG LEU A 84 9.903 -25.495 -2.990 1.00 71.34 H new ATOM 0 HD11 LEU A 84 7.762 -24.472 -2.329 1.00 40.51 H new ATOM 0 HD12 LEU A 84 7.592 -25.475 -3.790 1.00 40.51 H new ATOM 0 HD13 LEU A 84 7.029 -26.090 -2.218 1.00 40.51 H new ATOM 0 HD21 LEU A 84 9.441 -25.040 -0.613 1.00 72.21 H new ATOM 0 HD22 LEU A 84 8.773 -26.680 -0.434 1.00 72.21 H new ATOM 0 HD23 LEU A 84 10.496 -26.458 -0.821 1.00 72.21 H new ATOM 1318 N VAL A 85 10.952 -29.410 -4.946 1.00 5.31 N ATOM 1319 CA VAL A 85 10.998 -30.564 -5.835 1.00 62.14 C ATOM 1320 C VAL A 85 12.173 -31.474 -5.495 1.00 33.34 C ATOM 1321 O VAL A 85 12.051 -32.699 -5.524 1.00 30.01 O ATOM 1322 CB VAL A 85 11.108 -30.132 -7.310 1.00 23.52 C ATOM 1323 CG1 VAL A 85 11.183 -31.350 -8.219 1.00 5.14 C ATOM 1324 CG2 VAL A 85 9.936 -29.243 -7.693 1.00 54.50 C ATOM 0 H VAL A 85 11.234 -28.531 -5.381 1.00 5.31 H new ATOM 0 HA VAL A 85 10.066 -31.111 -5.692 1.00 62.14 H new ATOM 0 HB VAL A 85 12.026 -29.558 -7.435 1.00 23.52 H new ATOM 0 HG11 VAL A 85 11.260 -31.025 -9.257 1.00 5.14 H new ATOM 0 HG12 VAL A 85 12.058 -31.945 -7.959 1.00 5.14 H new ATOM 0 HG13 VAL A 85 10.284 -31.953 -8.094 1.00 5.14 H new ATOM 0 HG21 VAL A 85 10.030 -28.947 -8.738 1.00 54.50 H new ATOM 0 HG22 VAL A 85 9.004 -29.790 -7.553 1.00 54.50 H new ATOM 0 HG23 VAL A 85 9.933 -28.353 -7.063 1.00 54.50 H new ATOM 1334 N ARG A 86 13.310 -30.868 -5.171 1.00 10.50 N ATOM 1335 CA ARG A 86 14.508 -31.623 -4.825 1.00 34.41 C ATOM 1336 C ARG A 86 14.255 -32.520 -3.616 1.00 55.33 C ATOM 1337 O ARG A 86 14.473 -33.730 -3.671 1.00 21.00 O ATOM 1338 CB ARG A 86 15.670 -30.673 -4.534 1.00 2.43 C ATOM 1339 CG ARG A 86 16.303 -30.083 -5.784 1.00 32.33 C ATOM 1340 CD ARG A 86 17.087 -31.131 -6.558 1.00 72.13 C ATOM 1341 NE ARG A 86 17.720 -30.571 -7.749 1.00 61.32 N ATOM 1342 CZ ARG A 86 18.730 -31.153 -8.387 1.00 11.12 C ATOM 1343 NH1 ARG A 86 19.218 -32.306 -7.950 1.00 41.32 N ATOM 1344 NH2 ARG A 86 19.253 -30.581 -9.464 1.00 62.50 N ATOM 0 H ARG A 86 13.427 -29.855 -5.141 1.00 10.50 H new ATOM 0 HA ARG A 86 14.768 -32.253 -5.676 1.00 34.41 H new ATOM 0 HB2 ARG A 86 15.314 -29.861 -3.900 1.00 2.43 H new ATOM 0 HB3 ARG A 86 16.433 -31.208 -3.969 1.00 2.43 H new ATOM 0 HG2 ARG A 86 15.526 -29.662 -6.423 1.00 32.33 H new ATOM 0 HG3 ARG A 86 16.965 -29.263 -5.506 1.00 32.33 H new ATOM 0 HD2 ARG A 86 17.850 -31.564 -5.911 1.00 72.13 H new ATOM 0 HD3 ARG A 86 16.419 -31.942 -6.849 1.00 72.13 H new ATOM 0 HE ARG A 86 17.368 -29.685 -8.111 1.00 61.32 H new ATOM 0 HH11 ARG A 86 18.818 -32.748 -7.122 1.00 41.32 H new ATOM 0 HH12 ARG A 86 19.993 -32.751 -8.442 1.00 41.32 H new ATOM 0 HH21 ARG A 86 18.880 -29.694 -9.803 1.00 62.50 H new ATOM 0 HH22 ARG A 86 20.028 -31.028 -9.953 1.00 62.50 H new ATOM 1358 N VAL A 87 13.793 -31.917 -2.525 1.00 52.12 N ATOM 1359 CA VAL A 87 13.509 -32.660 -1.303 1.00 43.12 C ATOM 1360 C VAL A 87 12.488 -33.763 -1.555 1.00 72.13 C ATOM 1361 O VAL A 87 12.451 -34.766 -0.841 1.00 3.52 O ATOM 1362 CB VAL A 87 12.983 -31.733 -0.192 1.00 2.54 C ATOM 1363 CG1 VAL A 87 14.060 -30.748 0.237 1.00 44.34 C ATOM 1364 CG2 VAL A 87 11.734 -31.000 -0.657 1.00 12.24 C ATOM 0 H VAL A 87 13.607 -30.916 -2.463 1.00 52.12 H new ATOM 0 HA VAL A 87 14.449 -33.106 -0.979 1.00 43.12 H new ATOM 0 HB VAL A 87 12.718 -32.344 0.671 1.00 2.54 H new ATOM 0 HG11 VAL A 87 13.670 -30.101 1.023 1.00 44.34 H new ATOM 0 HG12 VAL A 87 14.924 -31.295 0.613 1.00 44.34 H new ATOM 0 HG13 VAL A 87 14.359 -30.141 -0.617 1.00 44.34 H new ATOM 0 HG21 VAL A 87 11.376 -30.349 0.141 1.00 12.24 H new ATOM 0 HG22 VAL A 87 11.970 -30.400 -1.536 1.00 12.24 H new ATOM 0 HG23 VAL A 87 10.960 -31.724 -0.909 1.00 12.24 H new ATOM 1374 N HIS A 88 11.659 -33.572 -2.577 1.00 33.33 N ATOM 1375 CA HIS A 88 10.636 -34.552 -2.925 1.00 20.44 C ATOM 1376 C HIS A 88 11.256 -35.760 -3.621 1.00 74.14 C ATOM 1377 O HIS A 88 10.623 -36.808 -3.749 1.00 2.31 O ATOM 1378 CB HIS A 88 9.576 -33.917 -3.826 1.00 25.25 C ATOM 1379 CG HIS A 88 8.277 -34.662 -3.839 1.00 1.01 C ATOM 1380 ND1 HIS A 88 7.355 -34.548 -4.857 1.00 53.25 N ATOM 1381 CD2 HIS A 88 7.749 -35.536 -2.951 1.00 73.41 C ATOM 1382 CE1 HIS A 88 6.314 -35.318 -4.595 1.00 23.33 C ATOM 1383 NE2 HIS A 88 6.529 -35.930 -3.444 1.00 14.44 N ATOM 0 H HIS A 88 11.676 -32.748 -3.178 1.00 33.33 H new ATOM 0 HA HIS A 88 10.162 -34.889 -2.003 1.00 20.44 H new ATOM 0 HB2 HIS A 88 9.395 -32.894 -3.496 1.00 25.25 H new ATOM 0 HB3 HIS A 88 9.963 -33.860 -4.843 1.00 25.25 H new ATOM 0 HD2 HIS A 88 8.202 -35.863 -2.027 1.00 73.41 H new ATOM 0 HE1 HIS A 88 5.437 -35.428 -5.216 1.00 23.33 H new ATOM 0 HE2 HIS A 88 5.892 -36.588 -2.995 1.00 14.44 H new ATOM 1391 N GLY A 89 12.497 -35.605 -4.072 1.00 21.34 N ATOM 1392 CA GLY A 89 13.181 -36.691 -4.751 1.00 14.44 C ATOM 1393 C GLY A 89 13.281 -36.467 -6.246 1.00 40.34 C ATOM 1394 O GLY A 89 14.203 -36.962 -6.895 1.00 52.32 O ATOM 0 H GLY A 89 13.041 -34.747 -3.980 1.00 21.34 H new ATOM 0 HA2 GLY A 89 14.183 -36.802 -4.335 1.00 14.44 H new ATOM 0 HA3 GLY A 89 12.652 -37.625 -4.561 1.00 14.44 H new ATOM 1398 N VAL A 90 12.329 -35.720 -6.797 1.00 1.23 N ATOM 1399 CA VAL A 90 12.314 -35.432 -8.226 1.00 14.21 C ATOM 1400 C VAL A 90 13.163 -34.208 -8.549 1.00 64.02 C ATOM 1401 O VAL A 90 13.294 -33.298 -7.731 1.00 50.14 O ATOM 1402 CB VAL A 90 10.879 -35.196 -8.736 1.00 24.44 C ATOM 1403 CG1 VAL A 90 10.863 -35.083 -10.252 1.00 63.24 C ATOM 1404 CG2 VAL A 90 9.958 -36.312 -8.266 1.00 52.11 C ATOM 0 H VAL A 90 11.558 -35.303 -6.275 1.00 1.23 H new ATOM 0 HA VAL A 90 12.732 -36.304 -8.729 1.00 14.21 H new ATOM 0 HB VAL A 90 10.514 -34.256 -8.322 1.00 24.44 H new ATOM 0 HG11 VAL A 90 9.841 -34.917 -10.594 1.00 63.24 H new ATOM 0 HG12 VAL A 90 11.490 -34.247 -10.561 1.00 63.24 H new ATOM 0 HG13 VAL A 90 11.246 -36.005 -10.690 1.00 63.24 H new ATOM 0 HG21 VAL A 90 8.948 -36.130 -8.635 1.00 52.11 H new ATOM 0 HG22 VAL A 90 10.318 -37.267 -8.650 1.00 52.11 H new ATOM 0 HG23 VAL A 90 9.947 -36.340 -7.176 1.00 52.11 H new ATOM 1414 N GLU A 91 13.739 -34.194 -9.747 1.00 51.45 N ATOM 1415 CA GLU A 91 14.577 -33.081 -10.178 1.00 52.33 C ATOM 1416 C GLU A 91 13.923 -32.321 -11.329 1.00 12.34 C ATOM 1417 O GLU A 91 13.076 -32.847 -12.052 1.00 4.43 O ATOM 1418 CB GLU A 91 15.956 -33.587 -10.606 1.00 72.52 C ATOM 1419 CG GLU A 91 15.907 -34.861 -11.433 1.00 35.52 C ATOM 1420 CD GLU A 91 17.172 -35.084 -12.238 1.00 23.05 C ATOM 1421 OE1 GLU A 91 17.694 -34.103 -12.807 1.00 71.15 O ATOM 1422 OE2 GLU A 91 17.641 -36.240 -12.297 1.00 23.13 O ATOM 0 H GLU A 91 13.641 -34.940 -10.436 1.00 51.45 H new ATOM 0 HA GLU A 91 14.693 -32.400 -9.335 1.00 52.33 H new ATOM 0 HB2 GLU A 91 16.457 -32.809 -11.182 1.00 72.52 H new ATOM 0 HB3 GLU A 91 16.561 -33.764 -9.717 1.00 72.52 H new ATOM 0 HG2 GLU A 91 15.747 -35.713 -10.772 1.00 35.52 H new ATOM 0 HG3 GLU A 91 15.053 -34.818 -12.109 1.00 35.52 H new ATOM 1429 N PRO A 92 14.323 -31.052 -11.503 1.00 21.45 N ATOM 1430 CA PRO A 92 13.789 -30.192 -12.563 1.00 23.13 C ATOM 1431 C PRO A 92 14.247 -30.630 -13.950 1.00 13.01 C ATOM 1432 O PRO A 92 14.859 -31.686 -14.107 1.00 61.42 O ATOM 1433 CB PRO A 92 14.360 -28.813 -12.222 1.00 22.42 C ATOM 1434 CG PRO A 92 15.601 -29.098 -11.448 1.00 13.14 C ATOM 1435 CD PRO A 92 15.328 -30.361 -10.678 1.00 1.30 C ATOM 0 HA PRO A 92 12.700 -30.220 -12.601 1.00 23.13 H new ATOM 0 HB2 PRO A 92 14.578 -28.241 -13.124 1.00 22.42 H new ATOM 0 HB3 PRO A 92 13.653 -28.226 -11.635 1.00 22.42 H new ATOM 0 HG2 PRO A 92 16.456 -29.223 -12.113 1.00 13.14 H new ATOM 0 HG3 PRO A 92 15.839 -28.274 -10.775 1.00 13.14 H new ATOM 0 HD2 PRO A 92 16.230 -30.961 -10.557 1.00 1.30 H new ATOM 0 HD3 PRO A 92 14.950 -30.148 -9.678 1.00 1.30 H new ATOM 1443 N ASP A 93 13.946 -29.812 -14.952 1.00 42.23 N ATOM 1444 CA ASP A 93 14.328 -30.114 -16.327 1.00 23.21 C ATOM 1445 C ASP A 93 14.536 -28.833 -17.128 1.00 11.53 C ATOM 1446 O ASP A 93 13.643 -27.989 -17.211 1.00 31.22 O ATOM 1447 CB ASP A 93 13.261 -30.981 -16.996 1.00 70.34 C ATOM 1448 CG ASP A 93 13.778 -31.681 -18.238 1.00 43.40 C ATOM 1449 OD1 ASP A 93 14.640 -31.100 -18.930 1.00 4.22 O ATOM 1450 OD2 ASP A 93 13.321 -32.808 -18.519 1.00 35.45 O ATOM 0 H ASP A 93 13.439 -28.934 -14.838 1.00 42.23 H new ATOM 0 HA ASP A 93 15.269 -30.663 -16.304 1.00 23.21 H new ATOM 0 HB2 ASP A 93 12.904 -31.726 -16.285 1.00 70.34 H new ATOM 0 HB3 ASP A 93 12.406 -30.359 -17.262 1.00 70.34 H new ATOM 1455 N ASP A 94 15.720 -28.693 -17.714 1.00 53.20 N ATOM 1456 CA ASP A 94 16.045 -27.514 -18.508 1.00 41.23 C ATOM 1457 C ASP A 94 14.985 -27.270 -19.578 1.00 42.11 C ATOM 1458 O ASP A 94 14.732 -26.130 -19.966 1.00 35.32 O ATOM 1459 CB ASP A 94 17.419 -27.676 -19.161 1.00 53.42 C ATOM 1460 CG ASP A 94 18.550 -27.597 -18.155 1.00 65.55 C ATOM 1461 OD1 ASP A 94 18.561 -26.645 -17.348 1.00 21.43 O ATOM 1462 OD2 ASP A 94 19.426 -28.488 -18.177 1.00 2.22 O ATOM 0 H ASP A 94 16.470 -29.381 -17.654 1.00 53.20 H new ATOM 0 HA ASP A 94 16.067 -26.652 -17.841 1.00 41.23 H new ATOM 0 HB2 ASP A 94 17.462 -28.635 -19.677 1.00 53.42 H new ATOM 0 HB3 ASP A 94 17.553 -26.901 -19.916 1.00 53.42 H new ATOM 1467 N ASN A 95 14.370 -28.349 -20.052 1.00 5.03 N ATOM 1468 CA ASN A 95 13.339 -28.252 -21.078 1.00 61.23 C ATOM 1469 C ASN A 95 12.013 -27.800 -20.476 1.00 14.43 C ATOM 1470 O ASN A 95 11.278 -27.018 -21.080 1.00 15.42 O ATOM 1471 CB ASN A 95 13.160 -29.600 -21.779 1.00 60.34 C ATOM 1472 CG ASN A 95 12.376 -29.480 -23.072 1.00 64.02 C ATOM 1473 OD1 ASN A 95 11.197 -29.128 -23.066 1.00 12.14 O ATOM 1474 ND2 ASN A 95 13.031 -29.773 -24.190 1.00 32.21 N ATOM 0 H ASN A 95 14.568 -29.300 -19.742 1.00 5.03 H new ATOM 0 HA ASN A 95 13.658 -27.509 -21.809 1.00 61.23 H new ATOM 0 HB2 ASN A 95 14.139 -30.030 -21.990 1.00 60.34 H new ATOM 0 HB3 ASN A 95 12.647 -30.290 -21.109 1.00 60.34 H new ATOM 0 HD21 ASN A 95 12.556 -29.710 -25.091 1.00 32.21 H new ATOM 0 HD22 ASN A 95 14.009 -30.061 -24.148 1.00 32.21 H new ATOM 1481 N THR A 96 11.712 -28.296 -19.280 1.00 31.23 N ATOM 1482 CA THR A 96 10.475 -27.944 -18.595 1.00 34.01 C ATOM 1483 C THR A 96 10.500 -26.494 -18.124 1.00 22.51 C ATOM 1484 O THR A 96 9.455 -25.868 -17.957 1.00 12.13 O ATOM 1485 CB THR A 96 10.222 -28.861 -17.383 1.00 63.24 C ATOM 1486 OG1 THR A 96 10.173 -30.228 -17.806 1.00 34.51 O ATOM 1487 CG2 THR A 96 8.921 -28.493 -16.687 1.00 51.42 C ATOM 0 H THR A 96 12.309 -28.943 -18.765 1.00 31.23 H new ATOM 0 HA THR A 96 9.668 -28.076 -19.315 1.00 34.01 H new ATOM 0 HB THR A 96 11.042 -28.728 -16.677 1.00 63.24 H new ATOM 0 HG1 THR A 96 10.014 -30.805 -17.030 1.00 34.51 H new ATOM 0 HG21 THR A 96 8.765 -29.154 -15.835 1.00 51.42 H new ATOM 0 HG22 THR A 96 8.973 -27.461 -16.341 1.00 51.42 H new ATOM 0 HG23 THR A 96 8.092 -28.600 -17.386 1.00 51.42 H new ATOM 1495 N ASN A 97 11.702 -25.967 -17.912 1.00 74.11 N ATOM 1496 CA ASN A 97 11.863 -24.590 -17.460 1.00 51.11 C ATOM 1497 C ASN A 97 11.128 -23.624 -18.385 1.00 31.33 C ATOM 1498 O ASN A 97 10.700 -22.550 -17.964 1.00 71.24 O ATOM 1499 CB ASN A 97 13.347 -24.223 -17.396 1.00 52.42 C ATOM 1500 CG ASN A 97 14.022 -24.760 -16.149 1.00 43.13 C ATOM 1501 OD1 ASN A 97 13.437 -25.543 -15.401 1.00 70.24 O ATOM 1502 ND2 ASN A 97 15.261 -24.340 -15.920 1.00 10.31 N ATOM 0 H ASN A 97 12.578 -26.472 -18.046 1.00 74.11 H new ATOM 0 HA ASN A 97 11.432 -24.508 -16.462 1.00 51.11 H new ATOM 0 HB2 ASN A 97 13.854 -24.615 -18.278 1.00 52.42 H new ATOM 0 HB3 ASN A 97 13.452 -23.138 -17.424 1.00 52.42 H new ATOM 0 HD21 ASN A 97 15.766 -24.667 -15.097 1.00 10.31 H new ATOM 0 HD22 ASN A 97 15.707 -23.690 -16.567 1.00 10.31 H new ATOM 1509 N GLY A 98 10.985 -24.016 -19.647 1.00 52.45 N ATOM 1510 CA GLY A 98 10.301 -23.174 -20.612 1.00 31.11 C ATOM 1511 C GLY A 98 10.914 -21.792 -20.713 1.00 44.32 C ATOM 1512 O GLY A 98 10.221 -20.816 -21.003 1.00 31.54 O ATOM 0 H GLY A 98 11.330 -24.901 -20.019 1.00 52.45 H new ATOM 0 HA2 GLY A 98 10.328 -23.653 -21.591 1.00 31.11 H new ATOM 0 HA3 GLY A 98 9.252 -23.083 -20.331 1.00 31.11 H new ATOM 1516 N PHE A 99 12.219 -21.706 -20.473 1.00 15.23 N ATOM 1517 CA PHE A 99 12.925 -20.432 -20.536 1.00 2.23 C ATOM 1518 C PHE A 99 12.788 -19.801 -21.918 1.00 74.34 C ATOM 1519 O PHE A 99 12.855 -18.581 -22.067 1.00 0.13 O ATOM 1520 CB PHE A 99 14.404 -20.628 -20.197 1.00 45.30 C ATOM 1521 CG PHE A 99 15.112 -19.352 -19.841 1.00 11.53 C ATOM 1522 CD1 PHE A 99 14.652 -18.555 -18.804 1.00 70.14 C ATOM 1523 CD2 PHE A 99 16.237 -18.949 -20.542 1.00 1.34 C ATOM 1524 CE1 PHE A 99 15.301 -17.380 -18.475 1.00 53.01 C ATOM 1525 CE2 PHE A 99 16.890 -17.775 -20.217 1.00 3.34 C ATOM 1526 CZ PHE A 99 16.422 -16.990 -19.181 1.00 51.12 C ATOM 0 H PHE A 99 12.808 -22.503 -20.233 1.00 15.23 H new ATOM 0 HA PHE A 99 12.477 -19.760 -19.804 1.00 2.23 H new ATOM 0 HB2 PHE A 99 14.488 -21.325 -19.364 1.00 45.30 H new ATOM 0 HB3 PHE A 99 14.906 -21.087 -21.049 1.00 45.30 H new ATOM 0 HD1 PHE A 99 13.777 -18.856 -18.247 1.00 70.14 H new ATOM 0 HD2 PHE A 99 16.608 -19.559 -21.352 1.00 1.34 H new ATOM 0 HE1 PHE A 99 14.932 -16.767 -17.666 1.00 53.01 H new ATOM 0 HE2 PHE A 99 17.765 -17.472 -20.772 1.00 3.34 H new ATOM 0 HZ PHE A 99 16.932 -16.073 -18.924 1.00 51.12 H new ATOM 1536 N LYS A 100 12.595 -20.642 -22.929 1.00 32.21 N ATOM 1537 CA LYS A 100 12.447 -20.170 -24.300 1.00 52.24 C ATOM 1538 C LYS A 100 11.336 -19.129 -24.401 1.00 31.35 C ATOM 1539 O LYS A 100 11.536 -18.043 -24.943 1.00 24.42 O ATOM 1540 CB LYS A 100 12.147 -21.343 -25.236 1.00 70.11 C ATOM 1541 CG LYS A 100 13.386 -22.107 -25.670 1.00 30.23 C ATOM 1542 CD LYS A 100 14.091 -21.417 -26.825 1.00 73.15 C ATOM 1543 CE LYS A 100 15.493 -21.969 -27.033 1.00 11.24 C ATOM 1544 NZ LYS A 100 15.474 -23.284 -27.731 1.00 51.11 N ATOM 0 H LYS A 100 12.537 -21.655 -22.824 1.00 32.21 H new ATOM 0 HA LYS A 100 13.386 -19.704 -24.600 1.00 52.24 H new ATOM 0 HB2 LYS A 100 11.463 -22.030 -24.737 1.00 70.11 H new ATOM 0 HB3 LYS A 100 11.633 -20.968 -26.121 1.00 70.11 H new ATOM 0 HG2 LYS A 100 14.071 -22.199 -24.827 1.00 30.23 H new ATOM 0 HG3 LYS A 100 13.106 -23.118 -25.965 1.00 30.23 H new ATOM 0 HD2 LYS A 100 13.509 -21.547 -27.737 1.00 73.15 H new ATOM 0 HD3 LYS A 100 14.146 -20.346 -26.631 1.00 73.15 H new ATOM 0 HE2 LYS A 100 16.081 -21.258 -27.614 1.00 11.24 H new ATOM 0 HE3 LYS A 100 15.987 -22.077 -26.068 1.00 11.24 H new ATOM 0 HZ1 LYS A 100 16.448 -23.626 -27.854 1.00 51.11 H new ATOM 0 HZ2 LYS A 100 14.935 -23.970 -27.165 1.00 51.11 H new ATOM 0 HZ3 LYS A 100 15.025 -23.176 -28.663 1.00 51.11 H new ATOM 1558 N GLY A 101 10.164 -19.469 -23.872 1.00 52.43 N ATOM 1559 CA GLY A 101 9.039 -18.552 -23.912 1.00 22.12 C ATOM 1560 C GLY A 101 9.101 -17.511 -22.812 1.00 31.13 C ATOM 1561 O GLY A 101 8.679 -16.370 -23.003 1.00 2.55 O ATOM 0 H GLY A 101 9.974 -20.362 -23.417 1.00 52.43 H new ATOM 0 HA2 GLY A 101 9.016 -18.052 -24.880 1.00 22.12 H new ATOM 0 HA3 GLY A 101 8.111 -19.116 -23.822 1.00 22.12 H new ATOM 1565 N LEU A 102 9.626 -17.904 -21.656 1.00 52.04 N ATOM 1566 CA LEU A 102 9.740 -16.997 -20.520 1.00 12.41 C ATOM 1567 C LEU A 102 10.528 -15.747 -20.898 1.00 12.50 C ATOM 1568 O LEU A 102 10.107 -14.626 -20.613 1.00 53.24 O ATOM 1569 CB LEU A 102 10.416 -17.703 -19.344 1.00 31.23 C ATOM 1570 CG LEU A 102 9.971 -17.261 -17.949 1.00 72.12 C ATOM 1571 CD1 LEU A 102 10.712 -18.046 -16.878 1.00 61.34 C ATOM 1572 CD2 LEU A 102 10.193 -15.767 -17.767 1.00 51.33 C ATOM 0 H LEU A 102 9.979 -18.845 -21.481 1.00 52.04 H new ATOM 0 HA LEU A 102 8.735 -16.695 -20.226 1.00 12.41 H new ATOM 0 HB2 LEU A 102 10.237 -18.774 -19.438 1.00 31.23 H new ATOM 0 HB3 LEU A 102 11.492 -17.551 -19.425 1.00 31.23 H new ATOM 0 HG LEU A 102 8.905 -17.465 -17.847 1.00 72.12 H new ATOM 0 HD11 LEU A 102 10.382 -17.718 -15.892 1.00 61.34 H new ATOM 0 HD12 LEU A 102 10.502 -19.109 -16.995 1.00 61.34 H new ATOM 0 HD13 LEU A 102 11.784 -17.875 -16.977 1.00 61.34 H new ATOM 0 HD21 LEU A 102 9.871 -15.470 -16.769 1.00 51.33 H new ATOM 0 HD22 LEU A 102 11.252 -15.539 -17.889 1.00 51.33 H new ATOM 0 HD23 LEU A 102 9.616 -15.220 -18.512 1.00 51.33 H new ATOM 1584 N MET A 103 11.673 -15.947 -21.543 1.00 35.44 N ATOM 1585 CA MET A 103 12.518 -14.836 -21.963 1.00 54.30 C ATOM 1586 C MET A 103 11.735 -13.855 -22.830 1.00 75.12 C ATOM 1587 O MET A 103 11.954 -12.645 -22.771 1.00 22.14 O ATOM 1588 CB MET A 103 13.735 -15.355 -22.731 1.00 53.52 C ATOM 1589 CG MET A 103 14.716 -14.262 -23.124 1.00 24.34 C ATOM 1590 SD MET A 103 15.853 -13.838 -21.790 1.00 65.40 S ATOM 1591 CE MET A 103 15.011 -12.437 -21.059 1.00 74.20 C ATOM 0 H MET A 103 12.037 -16.869 -21.786 1.00 35.44 H new ATOM 0 HA MET A 103 12.858 -14.312 -21.069 1.00 54.30 H new ATOM 0 HB2 MET A 103 14.253 -16.094 -22.119 1.00 53.52 H new ATOM 0 HB3 MET A 103 13.395 -15.868 -23.631 1.00 53.52 H new ATOM 0 HG2 MET A 103 15.287 -14.587 -23.994 1.00 24.34 H new ATOM 0 HG3 MET A 103 14.162 -13.371 -23.421 1.00 24.34 H new ATOM 0 HE1 MET A 103 15.740 -11.668 -20.802 1.00 74.20 H new ATOM 0 HE2 MET A 103 14.292 -12.032 -21.772 1.00 74.20 H new ATOM 0 HE3 MET A 103 14.488 -12.757 -20.158 1.00 74.20 H new ATOM 1601 N LYS A 104 10.820 -14.384 -23.636 1.00 23.40 N ATOM 1602 CA LYS A 104 10.003 -13.557 -24.515 1.00 43.52 C ATOM 1603 C LYS A 104 8.864 -12.900 -23.741 1.00 63.43 C ATOM 1604 O LYS A 104 8.369 -11.841 -24.127 1.00 33.42 O ATOM 1605 CB LYS A 104 9.437 -14.398 -25.661 1.00 60.02 C ATOM 1606 CG LYS A 104 10.371 -14.508 -26.854 1.00 54.42 C ATOM 1607 CD LYS A 104 11.436 -15.568 -26.633 1.00 21.20 C ATOM 1608 CE LYS A 104 12.491 -15.535 -27.728 1.00 61.31 C ATOM 1609 NZ LYS A 104 13.331 -14.308 -27.653 1.00 15.40 N ATOM 0 H LYS A 104 10.626 -15.383 -23.698 1.00 23.40 H new ATOM 0 HA LYS A 104 10.638 -12.773 -24.928 1.00 43.52 H new ATOM 0 HB2 LYS A 104 9.215 -15.399 -25.291 1.00 60.02 H new ATOM 0 HB3 LYS A 104 8.493 -13.962 -25.988 1.00 60.02 H new ATOM 0 HG2 LYS A 104 9.795 -14.751 -27.747 1.00 54.42 H new ATOM 0 HG3 LYS A 104 10.847 -13.544 -27.034 1.00 54.42 H new ATOM 0 HD2 LYS A 104 11.911 -15.412 -25.664 1.00 21.20 H new ATOM 0 HD3 LYS A 104 10.970 -16.553 -26.605 1.00 21.20 H new ATOM 0 HE2 LYS A 104 13.127 -16.416 -27.646 1.00 61.31 H new ATOM 0 HE3 LYS A 104 12.005 -15.583 -28.702 1.00 61.31 H new ATOM 0 HZ1 LYS A 104 14.174 -14.428 -28.250 1.00 15.40 H new ATOM 0 HZ2 LYS A 104 12.782 -13.491 -27.988 1.00 15.40 H new ATOM 0 HZ3 LYS A 104 13.624 -14.148 -26.668 1.00 15.40 H new ATOM 1623 N ARG A 105 8.455 -13.535 -22.648 1.00 21.32 N ATOM 1624 CA ARG A 105 7.375 -13.013 -21.820 1.00 11.50 C ATOM 1625 C ARG A 105 7.846 -11.811 -21.006 1.00 42.12 C ATOM 1626 O ARG A 105 7.052 -10.942 -20.644 1.00 22.14 O ATOM 1627 CB ARG A 105 6.849 -14.102 -20.883 1.00 53.43 C ATOM 1628 CG ARG A 105 5.619 -14.820 -21.415 1.00 22.14 C ATOM 1629 CD ARG A 105 5.163 -15.919 -20.467 1.00 65.05 C ATOM 1630 NE ARG A 105 4.102 -15.465 -19.573 1.00 21.12 N ATOM 1631 CZ ARG A 105 2.839 -15.305 -19.952 1.00 63.24 C ATOM 1632 NH1 ARG A 105 2.482 -15.561 -21.203 1.00 60.43 N ATOM 1633 NH2 ARG A 105 1.931 -14.889 -19.080 1.00 14.42 N ATOM 0 H ARG A 105 8.855 -14.412 -22.315 1.00 21.32 H new ATOM 0 HA ARG A 105 6.569 -12.691 -22.480 1.00 11.50 H new ATOM 0 HB2 ARG A 105 7.639 -14.833 -20.709 1.00 53.43 H new ATOM 0 HB3 ARG A 105 6.610 -13.655 -19.918 1.00 53.43 H new ATOM 0 HG2 ARG A 105 4.811 -14.103 -21.558 1.00 22.14 H new ATOM 0 HG3 ARG A 105 5.841 -15.249 -22.392 1.00 22.14 H new ATOM 0 HD2 ARG A 105 4.809 -16.773 -21.045 1.00 65.05 H new ATOM 0 HD3 ARG A 105 6.012 -16.264 -19.876 1.00 65.05 H new ATOM 0 HE ARG A 105 4.344 -15.259 -18.604 1.00 21.12 H new ATOM 0 HH11 ARG A 105 3.178 -15.882 -21.876 1.00 60.43 H new ATOM 0 HH12 ARG A 105 1.512 -15.437 -21.492 1.00 60.43 H new ATOM 0 HH21 ARG A 105 2.202 -14.691 -18.117 1.00 14.42 H new ATOM 0 HH22 ARG A 105 0.962 -14.767 -19.372 1.00 14.42 H new ATOM 1647 N THR A 106 9.144 -11.768 -20.722 1.00 2.35 N ATOM 1648 CA THR A 106 9.721 -10.675 -19.950 1.00 3.54 C ATOM 1649 C THR A 106 10.022 -9.473 -20.838 1.00 42.10 C ATOM 1650 O THR A 106 9.599 -8.353 -20.550 1.00 52.34 O ATOM 1651 CB THR A 106 11.017 -11.111 -19.240 1.00 12.13 C ATOM 1652 OG1 THR A 106 11.944 -11.640 -20.194 1.00 60.10 O ATOM 1653 CG2 THR A 106 10.724 -12.157 -18.175 1.00 64.30 C ATOM 0 H THR A 106 9.815 -12.478 -21.015 1.00 2.35 H new ATOM 0 HA THR A 106 8.981 -10.394 -19.200 1.00 3.54 H new ATOM 0 HB THR A 106 11.453 -10.236 -18.757 1.00 12.13 H new ATOM 0 HG1 THR A 106 12.695 -11.019 -20.299 1.00 60.10 H new ATOM 0 HG21 THR A 106 11.654 -12.450 -17.687 1.00 64.30 H new ATOM 0 HG22 THR A 106 10.041 -11.741 -17.434 1.00 64.30 H new ATOM 0 HG23 THR A 106 10.267 -13.031 -18.639 1.00 64.30 H new ATOM 1661 N THR A 107 10.756 -9.712 -21.921 1.00 32.03 N ATOM 1662 CA THR A 107 11.114 -8.649 -22.851 1.00 73.25 C ATOM 1663 C THR A 107 9.873 -7.929 -23.367 1.00 1.33 C ATOM 1664 O THR A 107 9.895 -6.720 -23.598 1.00 4.42 O ATOM 1665 CB THR A 107 11.910 -9.197 -24.051 1.00 23.25 C ATOM 1666 OG1 THR A 107 12.287 -8.124 -24.920 1.00 3.30 O ATOM 1667 CG2 THR A 107 11.090 -10.219 -24.824 1.00 1.32 C ATOM 0 H THR A 107 11.114 -10.633 -22.175 1.00 32.03 H new ATOM 0 HA THR A 107 11.738 -7.945 -22.301 1.00 73.25 H new ATOM 0 HB THR A 107 12.806 -9.687 -23.671 1.00 23.25 H new ATOM 0 HG1 THR A 107 12.794 -8.481 -25.679 1.00 3.30 H new ATOM 0 HG21 THR A 107 11.673 -10.591 -25.666 1.00 1.32 H new ATOM 0 HG22 THR A 107 10.830 -11.049 -24.167 1.00 1.32 H new ATOM 0 HG23 THR A 107 10.178 -9.750 -25.193 1.00 1.32 H new ATOM 1675 N LYS A 108 8.790 -8.678 -23.545 1.00 25.24 N ATOM 1676 CA LYS A 108 7.538 -8.111 -24.031 1.00 23.31 C ATOM 1677 C LYS A 108 7.129 -6.901 -23.198 1.00 2.22 C ATOM 1678 O LYS A 108 6.770 -5.854 -23.739 1.00 72.43 O ATOM 1679 CB LYS A 108 6.430 -9.166 -23.996 1.00 53.32 C ATOM 1680 CG LYS A 108 5.245 -8.832 -24.886 1.00 14.24 C ATOM 1681 CD LYS A 108 4.263 -7.908 -24.184 1.00 23.14 C ATOM 1682 CE LYS A 108 3.029 -7.656 -25.035 1.00 55.22 C ATOM 1683 NZ LYS A 108 2.131 -8.843 -25.075 1.00 74.15 N ATOM 0 H LYS A 108 8.754 -9.680 -23.360 1.00 25.24 H new ATOM 0 HA LYS A 108 7.690 -7.786 -25.060 1.00 23.31 H new ATOM 0 HB2 LYS A 108 6.844 -10.127 -24.302 1.00 53.32 H new ATOM 0 HB3 LYS A 108 6.082 -9.282 -22.970 1.00 53.32 H new ATOM 0 HG2 LYS A 108 5.599 -8.360 -25.802 1.00 14.24 H new ATOM 0 HG3 LYS A 108 4.737 -9.751 -25.177 1.00 14.24 H new ATOM 0 HD2 LYS A 108 3.966 -8.347 -23.232 1.00 23.14 H new ATOM 0 HD3 LYS A 108 4.751 -6.960 -23.959 1.00 23.14 H new ATOM 0 HE2 LYS A 108 2.483 -6.800 -24.638 1.00 55.22 H new ATOM 0 HE3 LYS A 108 3.334 -7.397 -26.049 1.00 55.22 H new ATOM 0 HZ1 LYS A 108 1.255 -8.599 -25.579 1.00 74.15 H new ATOM 0 HZ2 LYS A 108 2.609 -9.623 -25.569 1.00 74.15 H new ATOM 0 HZ3 LYS A 108 1.901 -9.137 -24.104 1.00 74.15 H new ATOM 1697 N LEU A 109 7.187 -7.049 -21.879 1.00 24.20 N ATOM 1698 CA LEU A 109 6.824 -5.967 -20.971 1.00 5.05 C ATOM 1699 C LEU A 109 7.936 -4.926 -20.892 1.00 44.21 C ATOM 1700 O LEU A 109 7.674 -3.723 -20.856 1.00 11.11 O ATOM 1701 CB LEU A 109 6.531 -6.522 -19.576 1.00 31.32 C ATOM 1702 CG LEU A 109 5.755 -7.839 -19.527 1.00 64.33 C ATOM 1703 CD1 LEU A 109 5.470 -8.238 -18.088 1.00 12.13 C ATOM 1704 CD2 LEU A 109 4.460 -7.725 -20.318 1.00 23.10 C ATOM 0 H LEU A 109 7.482 -7.908 -21.415 1.00 24.20 H new ATOM 0 HA LEU A 109 5.927 -5.485 -21.360 1.00 5.05 H new ATOM 0 HB2 LEU A 109 7.479 -6.662 -19.056 1.00 31.32 H new ATOM 0 HB3 LEU A 109 5.970 -5.772 -19.019 1.00 31.32 H new ATOM 0 HG LEU A 109 6.368 -8.617 -19.983 1.00 64.33 H new ATOM 0 HD11 LEU A 109 4.917 -9.177 -18.074 1.00 12.13 H new ATOM 0 HD12 LEU A 109 6.411 -8.362 -17.552 1.00 12.13 H new ATOM 0 HD13 LEU A 109 4.877 -7.461 -17.605 1.00 12.13 H new ATOM 0 HD21 LEU A 109 3.921 -8.671 -20.272 1.00 23.10 H new ATOM 0 HD22 LEU A 109 3.842 -6.934 -19.892 1.00 23.10 H new ATOM 0 HD23 LEU A 109 4.688 -7.487 -21.357 1.00 23.10 H new ATOM 1716 N LEU A 110 9.179 -5.396 -20.868 1.00 52.52 N ATOM 1717 CA LEU A 110 10.332 -4.505 -20.797 1.00 21.14 C ATOM 1718 C LEU A 110 10.365 -3.559 -21.993 1.00 32.12 C ATOM 1719 O LEU A 110 10.922 -2.464 -21.917 1.00 50.21 O ATOM 1720 CB LEU A 110 11.626 -5.318 -20.740 1.00 24.44 C ATOM 1721 CG LEU A 110 12.134 -5.675 -19.342 1.00 73.40 C ATOM 1722 CD1 LEU A 110 11.365 -6.862 -18.782 1.00 14.32 C ATOM 1723 CD2 LEU A 110 13.626 -5.973 -19.376 1.00 53.21 C ATOM 0 H LEU A 110 9.414 -6.388 -20.897 1.00 52.52 H new ATOM 0 HA LEU A 110 10.244 -3.909 -19.889 1.00 21.14 H new ATOM 0 HB2 LEU A 110 11.475 -6.243 -21.297 1.00 24.44 H new ATOM 0 HB3 LEU A 110 12.406 -4.758 -21.256 1.00 24.44 H new ATOM 0 HG LEU A 110 11.970 -4.819 -18.687 1.00 73.40 H new ATOM 0 HD11 LEU A 110 11.740 -7.102 -17.787 1.00 14.32 H new ATOM 0 HD12 LEU A 110 10.306 -6.613 -18.720 1.00 14.32 H new ATOM 0 HD13 LEU A 110 11.498 -7.723 -19.437 1.00 14.32 H new ATOM 0 HD21 LEU A 110 13.970 -6.225 -18.373 1.00 53.21 H new ATOM 0 HD22 LEU A 110 13.814 -6.812 -20.045 1.00 53.21 H new ATOM 0 HD23 LEU A 110 14.164 -5.095 -19.734 1.00 53.21 H new ATOM 1735 N LYS A 111 9.762 -3.988 -23.096 1.00 61.34 N ATOM 1736 CA LYS A 111 9.718 -3.179 -24.309 1.00 23.33 C ATOM 1737 C LYS A 111 9.088 -1.818 -24.032 1.00 71.20 C ATOM 1738 O LYS A 111 9.349 -0.846 -24.741 1.00 13.22 O ATOM 1739 CB LYS A 111 8.931 -3.905 -25.402 1.00 43.24 C ATOM 1740 CG LYS A 111 9.747 -4.945 -26.151 1.00 1.05 C ATOM 1741 CD LYS A 111 10.460 -4.339 -27.348 1.00 30.12 C ATOM 1742 CE LYS A 111 9.480 -3.964 -28.449 1.00 60.41 C ATOM 1743 NZ LYS A 111 10.126 -3.966 -29.791 1.00 21.52 N ATOM 0 H LYS A 111 9.296 -4.892 -23.175 1.00 61.34 H new ATOM 0 HA LYS A 111 10.742 -3.023 -24.650 1.00 23.33 H new ATOM 0 HB2 LYS A 111 8.064 -4.390 -24.953 1.00 43.24 H new ATOM 0 HB3 LYS A 111 8.552 -3.171 -26.114 1.00 43.24 H new ATOM 0 HG2 LYS A 111 10.479 -5.389 -25.477 1.00 1.05 H new ATOM 0 HG3 LYS A 111 9.093 -5.750 -26.485 1.00 1.05 H new ATOM 0 HD2 LYS A 111 11.012 -3.453 -27.034 1.00 30.12 H new ATOM 0 HD3 LYS A 111 11.190 -5.049 -27.736 1.00 30.12 H new ATOM 0 HE2 LYS A 111 8.645 -4.665 -28.447 1.00 60.41 H new ATOM 0 HE3 LYS A 111 9.067 -2.976 -28.246 1.00 60.41 H new ATOM 0 HZ1 LYS A 111 9.425 -3.705 -30.514 1.00 21.52 H new ATOM 0 HZ2 LYS A 111 10.906 -3.279 -29.802 1.00 21.52 H new ATOM 0 HZ3 LYS A 111 10.498 -4.915 -29.996 1.00 21.52 H new ATOM 1757 N LYS A 112 8.258 -1.755 -22.996 1.00 60.13 N ATOM 1758 CA LYS A 112 7.592 -0.513 -22.623 1.00 41.23 C ATOM 1759 C LYS A 112 8.558 0.430 -21.912 1.00 35.45 C ATOM 1760 O LYS A 112 8.435 1.651 -22.010 1.00 62.43 O ATOM 1761 CB LYS A 112 6.390 -0.805 -21.722 1.00 3.00 C ATOM 1762 CG LYS A 112 5.115 -1.109 -22.489 1.00 13.45 C ATOM 1763 CD LYS A 112 4.987 -2.592 -22.794 1.00 2.41 C ATOM 1764 CE LYS A 112 4.024 -2.843 -23.943 1.00 74.24 C ATOM 1765 NZ LYS A 112 2.607 -2.871 -23.484 1.00 43.20 N ATOM 0 H LYS A 112 8.031 -2.551 -22.399 1.00 60.13 H new ATOM 0 HA LYS A 112 7.244 -0.028 -23.535 1.00 41.23 H new ATOM 0 HB2 LYS A 112 6.627 -1.651 -21.077 1.00 3.00 H new ATOM 0 HB3 LYS A 112 6.217 0.052 -21.072 1.00 3.00 H new ATOM 0 HG2 LYS A 112 4.253 -0.780 -21.908 1.00 13.45 H new ATOM 0 HG3 LYS A 112 5.106 -0.543 -23.421 1.00 13.45 H new ATOM 0 HD2 LYS A 112 5.967 -2.999 -23.043 1.00 2.41 H new ATOM 0 HD3 LYS A 112 4.640 -3.119 -21.905 1.00 2.41 H new ATOM 0 HE2 LYS A 112 4.146 -2.064 -24.696 1.00 74.24 H new ATOM 0 HE3 LYS A 112 4.269 -3.791 -24.422 1.00 74.24 H new ATOM 0 HZ1 LYS A 112 1.982 -3.045 -24.297 1.00 43.20 H new ATOM 0 HZ2 LYS A 112 2.484 -3.630 -22.784 1.00 43.20 H new ATOM 0 HZ3 LYS A 112 2.365 -1.958 -23.050 1.00 43.20 H new ATOM 1779 N VAL A 113 9.519 -0.145 -21.195 1.00 75.32 N ATOM 1780 CA VAL A 113 10.507 0.644 -20.469 1.00 74.41 C ATOM 1781 C VAL A 113 11.622 1.115 -21.395 1.00 61.35 C ATOM 1782 O VAL A 113 12.048 2.268 -21.335 1.00 44.01 O ATOM 1783 CB VAL A 113 11.123 -0.160 -19.308 1.00 41.44 C ATOM 1784 CG1 VAL A 113 11.788 0.773 -18.308 1.00 23.13 C ATOM 1785 CG2 VAL A 113 10.063 -1.014 -18.630 1.00 71.23 C ATOM 0 H VAL A 113 9.634 -1.154 -21.102 1.00 75.32 H new ATOM 0 HA VAL A 113 9.985 1.511 -20.064 1.00 74.41 H new ATOM 0 HB VAL A 113 11.887 -0.824 -19.713 1.00 41.44 H new ATOM 0 HG11 VAL A 113 12.218 0.188 -17.495 1.00 23.13 H new ATOM 0 HG12 VAL A 113 12.577 1.337 -18.806 1.00 23.13 H new ATOM 0 HG13 VAL A 113 11.047 1.464 -17.906 1.00 23.13 H new ATOM 0 HG21 VAL A 113 10.516 -1.575 -17.812 1.00 71.23 H new ATOM 0 HG22 VAL A 113 9.275 -0.372 -18.237 1.00 71.23 H new ATOM 0 HG23 VAL A 113 9.637 -1.708 -19.354 1.00 71.23 H new ATOM 1795 N VAL A 114 12.091 0.214 -22.254 1.00 1.34 N ATOM 1796 CA VAL A 114 13.157 0.538 -23.195 1.00 34.21 C ATOM 1797 C VAL A 114 12.709 1.606 -24.186 1.00 14.10 C ATOM 1798 O VAL A 114 13.525 2.181 -24.906 1.00 61.54 O ATOM 1799 CB VAL A 114 13.615 -0.709 -23.974 1.00 23.44 C ATOM 1800 CG1 VAL A 114 12.525 -1.175 -24.926 1.00 33.50 C ATOM 1801 CG2 VAL A 114 14.905 -0.422 -24.727 1.00 23.11 C ATOM 0 H VAL A 114 11.749 -0.745 -22.317 1.00 1.34 H new ATOM 0 HA VAL A 114 13.993 0.919 -22.608 1.00 34.21 H new ATOM 0 HB VAL A 114 13.808 -1.511 -23.261 1.00 23.44 H new ATOM 0 HG11 VAL A 114 12.867 -2.057 -25.467 1.00 33.50 H new ATOM 0 HG12 VAL A 114 11.628 -1.423 -24.359 1.00 33.50 H new ATOM 0 HG13 VAL A 114 12.297 -0.380 -25.636 1.00 33.50 H new ATOM 0 HG21 VAL A 114 15.214 -1.314 -25.272 1.00 23.11 H new ATOM 0 HG22 VAL A 114 14.742 0.395 -25.430 1.00 23.11 H new ATOM 0 HG23 VAL A 114 15.685 -0.141 -24.019 1.00 23.11 H new ATOM 1811 N ASP A 115 11.407 1.868 -24.217 1.00 34.22 N ATOM 1812 CA ASP A 115 10.849 2.869 -25.119 1.00 21.13 C ATOM 1813 C ASP A 115 11.159 4.278 -24.624 1.00 53.42 C ATOM 1814 O ASP A 115 11.834 5.052 -25.303 1.00 4.00 O ATOM 1815 CB ASP A 115 9.337 2.682 -25.250 1.00 72.15 C ATOM 1816 CG ASP A 115 8.710 3.685 -26.199 1.00 12.14 C ATOM 1817 OD1 ASP A 115 9.433 4.208 -27.071 1.00 43.34 O ATOM 1818 OD2 ASP A 115 7.496 3.948 -26.067 1.00 72.43 O ATOM 0 H ASP A 115 10.718 1.401 -23.628 1.00 34.22 H new ATOM 0 HA ASP A 115 11.309 2.738 -26.098 1.00 21.13 H new ATOM 0 HB2 ASP A 115 9.128 1.672 -25.603 1.00 72.15 H new ATOM 0 HB3 ASP A 115 8.875 2.778 -24.267 1.00 72.15 H new ATOM 1823 N LYS A 116 10.659 4.607 -23.438 1.00 30.45 N ATOM 1824 CA LYS A 116 10.881 5.923 -22.851 1.00 24.45 C ATOM 1825 C LYS A 116 12.086 5.905 -21.915 1.00 30.51 C ATOM 1826 O LYS A 116 13.007 6.710 -22.057 1.00 30.43 O ATOM 1827 CB LYS A 116 9.636 6.380 -22.087 1.00 44.55 C ATOM 1828 CG LYS A 116 8.455 6.701 -22.987 1.00 44.21 C ATOM 1829 CD LYS A 116 7.599 5.472 -23.242 1.00 52.43 C ATOM 1830 CE LYS A 116 6.370 5.812 -24.072 1.00 30.02 C ATOM 1831 NZ LYS A 116 5.371 4.707 -24.061 1.00 42.55 N ATOM 0 H LYS A 116 10.096 3.979 -22.864 1.00 30.45 H new ATOM 0 HA LYS A 116 11.082 6.625 -23.660 1.00 24.45 H new ATOM 0 HB2 LYS A 116 9.345 5.600 -21.384 1.00 44.55 H new ATOM 0 HB3 LYS A 116 9.885 7.263 -21.499 1.00 44.55 H new ATOM 0 HG2 LYS A 116 7.847 7.480 -22.527 1.00 44.21 H new ATOM 0 HG3 LYS A 116 8.816 7.097 -23.936 1.00 44.21 H new ATOM 0 HD2 LYS A 116 8.190 4.716 -23.758 1.00 52.43 H new ATOM 0 HD3 LYS A 116 7.289 5.039 -22.291 1.00 52.43 H new ATOM 0 HE2 LYS A 116 5.910 6.721 -23.685 1.00 30.02 H new ATOM 0 HE3 LYS A 116 6.671 6.019 -25.099 1.00 30.02 H new ATOM 0 HZ1 LYS A 116 4.439 5.079 -24.332 1.00 42.55 H new ATOM 0 HZ2 LYS A 116 5.660 3.971 -24.737 1.00 42.55 H new ATOM 0 HZ3 LYS A 116 5.316 4.298 -23.106 1.00 42.55 H new ATOM 1845 N HIS A 117 12.074 4.980 -20.959 1.00 54.53 N ATOM 1846 CA HIS A 117 13.167 4.857 -20.002 1.00 33.55 C ATOM 1847 C HIS A 117 14.446 4.397 -20.694 1.00 3.21 C ATOM 1848 O HIS A 117 15.549 4.635 -20.203 1.00 61.31 O ATOM 1849 CB HIS A 117 12.792 3.873 -18.892 1.00 51.14 C ATOM 1850 CG HIS A 117 12.153 4.525 -17.705 1.00 34.30 C ATOM 1851 ND1 HIS A 117 11.757 5.846 -17.694 1.00 33.53 N ATOM 1852 CD2 HIS A 117 11.839 4.029 -16.485 1.00 5.20 C ATOM 1853 CE1 HIS A 117 11.229 6.135 -16.518 1.00 22.35 C ATOM 1854 NE2 HIS A 117 11.267 5.049 -15.766 1.00 0.33 N ATOM 0 H HIS A 117 11.320 4.306 -20.827 1.00 54.53 H new ATOM 0 HA HIS A 117 13.345 5.839 -19.563 1.00 33.55 H new ATOM 0 HB2 HIS A 117 12.110 3.125 -19.296 1.00 51.14 H new ATOM 0 HB3 HIS A 117 13.689 3.345 -18.567 1.00 51.14 H new ATOM 0 HD1 HIS A 117 11.856 6.498 -18.472 1.00 33.53 H new ATOM 0 HD2 HIS A 117 12.007 3.019 -16.141 1.00 5.20 H new ATOM 0 HE1 HIS A 117 10.834 7.095 -16.222 1.00 22.35 H new ATOM 1862 N GLY A 118 14.291 3.737 -21.838 1.00 34.04 N ATOM 1863 CA GLY A 118 15.442 3.254 -22.578 1.00 55.10 C ATOM 1864 C GLY A 118 16.096 2.058 -21.916 1.00 63.24 C ATOM 1865 O GLY A 118 17.140 1.585 -22.367 1.00 71.14 O ATOM 0 H GLY A 118 13.389 3.528 -22.265 1.00 34.04 H new ATOM 0 HA2 GLY A 118 15.133 2.983 -23.588 1.00 55.10 H new ATOM 0 HA3 GLY A 118 16.172 4.057 -22.673 1.00 55.10 H new ATOM 1869 N ILE A 119 15.484 1.568 -20.844 1.00 11.45 N ATOM 1870 CA ILE A 119 16.015 0.421 -20.119 1.00 34.52 C ATOM 1871 C ILE A 119 16.022 -0.828 -20.995 1.00 14.51 C ATOM 1872 O ILE A 119 14.971 -1.391 -21.298 1.00 33.51 O ATOM 1873 CB ILE A 119 15.200 0.134 -18.843 1.00 40.25 C ATOM 1874 CG1 ILE A 119 15.417 1.245 -17.814 1.00 32.35 C ATOM 1875 CG2 ILE A 119 15.585 -1.218 -18.262 1.00 12.24 C ATOM 1876 CD1 ILE A 119 16.811 1.262 -17.228 1.00 23.33 C ATOM 0 H ILE A 119 14.620 1.948 -20.458 1.00 11.45 H new ATOM 0 HA ILE A 119 17.038 0.672 -19.838 1.00 34.52 H new ATOM 0 HB ILE A 119 14.142 0.107 -19.103 1.00 40.25 H new ATOM 0 HG12 ILE A 119 15.217 2.208 -18.284 1.00 32.35 H new ATOM 0 HG13 ILE A 119 14.694 1.128 -17.007 1.00 32.35 H new ATOM 0 HG21 ILE A 119 15.001 -1.407 -17.361 1.00 12.24 H new ATOM 0 HG22 ILE A 119 15.384 -1.999 -18.995 1.00 12.24 H new ATOM 0 HG23 ILE A 119 16.646 -1.218 -18.013 1.00 12.24 H new ATOM 0 HD11 ILE A 119 16.893 2.075 -16.507 1.00 23.33 H new ATOM 0 HD12 ILE A 119 17.008 0.313 -16.729 1.00 23.33 H new ATOM 0 HD13 ILE A 119 17.539 1.410 -18.025 1.00 23.33 H new ATOM 1888 N ALA A 120 17.214 -1.255 -21.397 1.00 40.55 N ATOM 1889 CA ALA A 120 17.359 -2.438 -22.236 1.00 34.34 C ATOM 1890 C ALA A 120 17.924 -3.609 -21.439 1.00 20.21 C ATOM 1891 O ALA A 120 18.829 -3.437 -20.621 1.00 53.31 O ATOM 1892 CB ALA A 120 18.248 -2.133 -23.432 1.00 11.23 C ATOM 0 H ALA A 120 18.094 -0.799 -21.155 1.00 40.55 H new ATOM 0 HA ALA A 120 16.370 -2.720 -22.597 1.00 34.34 H new ATOM 0 HB1 ALA A 120 18.347 -3.026 -24.049 1.00 11.23 H new ATOM 0 HB2 ALA A 120 17.802 -1.332 -24.022 1.00 11.23 H new ATOM 0 HB3 ALA A 120 19.233 -1.822 -23.083 1.00 11.23 H new TER 1898 ALA A 120