USER MOD reduce.3.24.130724 H: found=0, std=0, add=977, rem=0, adj=20 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 -125:sc= -1.4 (180deg=-3.05!) USER MOD Set 1.2: A 106 THR OG1 : rot -71:sc= 0.0165 USER MOD Set 1.3: A 107 THR OG1 : rot 88:sc= 0.991 USER MOD Set 2.1: A 82 LYS NZ :NH3+ 139:sc= 0.56 (180deg=0) USER MOD Set 2.2: A 97 ASN : amide:sc= 0.327 K(o=0.89,f=-8.3!) USER MOD Single : A 3 SER OG : rot 33:sc= 0.0336 USER MOD Single : A 4 ASN : amide:sc= -0.695 X(o=-0.7,f=-0.21) USER MOD Single : A 10 LYS NZ :NH3+ 170:sc=-0.00109 (180deg=-0.102) USER MOD Single : A 14 LYS NZ :NH3+ 166:sc= -0.275 (180deg=-0.369) USER MOD Single : A 23 TYR OH : rot -140:sc= -0.761 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= -0.0438 X(o=-0.044,f=-0.18) USER MOD Single : A 27 LYS NZ :NH3+ -160:sc= -0.115 (180deg=-0.7) USER MOD Single : A 30 LYS NZ :NH3+ -105:sc= -0.468 (180deg=-1.99!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= -0.225 K(o=-0.23,f=-2.4!) 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 180:sc= -0.152 USER MOD Single : A 43 MET CE :methyl -169:sc= -1.28 (180deg=-1.59) USER MOD Single : A 44 ASN : amide:sc= -0.0199 K(o=-0.02,f=-1.8!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= -2.28 K(o=-2.3,f=-7.1!) USER MOD Single : A 60 SER OG : rot 180:sc= 0.0159 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot -82:sc= 1.07 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 HIS : no HD1:sc= -1.35 X(o=-1.4,f=-1.8) USER MOD Single : A 95 ASN : amide:sc= -0.343 X(o=-0.34,f=-0.014) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0426) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ -171:sc= -0.0054 (180deg=-0.123) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ -131:sc= 1.02 (180deg=-0.0487) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 HIS : no HE2:sc= 0.00549 X(o=0.0055,f=-0.43) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 3 1.009 -1.654 0.904 1.00 35.21 N ATOM 2 CA SER A 3 1.627 -1.371 -0.386 1.00 4.25 C ATOM 3 C SER A 3 0.871 -2.063 -1.515 1.00 72.11 C ATOM 4 O SER A 3 0.840 -3.290 -1.595 1.00 62.22 O ATOM 5 CB SER A 3 3.089 -1.822 -0.384 1.00 22.32 C ATOM 6 OG SER A 3 3.837 -1.126 0.598 1.00 32.13 O ATOM 0 HA SER A 3 1.586 -0.295 -0.552 1.00 4.25 H new ATOM 0 HB2 SER A 3 3.142 -2.894 -0.193 1.00 22.32 H new ATOM 0 HB3 SER A 3 3.527 -1.651 -1.368 1.00 22.32 H new ATOM 0 HG SER A 3 3.265 -0.934 1.370 1.00 32.13 H new ATOM 12 N ASN A 4 0.261 -1.266 -2.386 1.00 42.43 N ATOM 13 CA ASN A 4 -0.496 -1.800 -3.512 1.00 35.52 C ATOM 14 C ASN A 4 0.398 -2.637 -4.421 1.00 62.32 C ATOM 15 O ASN A 4 -0.052 -3.608 -5.030 1.00 11.44 O ATOM 16 CB ASN A 4 -1.134 -0.662 -4.311 1.00 64.35 C ATOM 17 CG ASN A 4 -0.107 0.159 -5.067 1.00 63.44 C ATOM 18 OD1 ASN A 4 0.367 1.184 -4.578 1.00 22.12 O ATOM 19 ND2 ASN A 4 0.242 -0.290 -6.268 1.00 32.13 N ATOM 0 H ASN A 4 0.276 -0.247 -2.334 1.00 42.43 H new ATOM 0 HA ASN A 4 -1.283 -2.442 -3.116 1.00 35.52 H new ATOM 0 HB2 ASN A 4 -1.855 -1.076 -5.016 1.00 64.35 H new ATOM 0 HB3 ASN A 4 -1.688 -0.012 -3.634 1.00 64.35 H new ATOM 0 HD21 ASN A 4 0.929 0.220 -6.823 1.00 32.13 H new ATOM 0 HD22 ASN A 4 -0.177 -1.145 -6.634 1.00 32.13 H new ATOM 26 N ALA A 5 1.668 -2.254 -4.508 1.00 31.51 N ATOM 27 CA ALA A 5 2.626 -2.971 -5.340 1.00 45.53 C ATOM 28 C ALA A 5 3.613 -3.760 -4.487 1.00 1.15 C ATOM 29 O ALA A 5 4.645 -4.217 -4.976 1.00 3.23 O ATOM 30 CB ALA A 5 3.369 -1.999 -6.246 1.00 13.34 C ATOM 0 H ALA A 5 2.057 -1.452 -4.013 1.00 31.51 H new ATOM 0 HA ALA A 5 2.074 -3.679 -5.958 1.00 45.53 H new ATOM 0 HB1 ALA A 5 4.081 -2.548 -6.862 1.00 13.34 H new ATOM 0 HB2 ALA A 5 2.656 -1.483 -6.889 1.00 13.34 H new ATOM 0 HB3 ALA A 5 3.903 -1.269 -5.637 1.00 13.34 H new ATOM 36 N GLY A 6 3.289 -3.916 -3.207 1.00 15.25 N ATOM 37 CA GLY A 6 4.157 -4.650 -2.305 1.00 43.30 C ATOM 38 C GLY A 6 4.337 -6.096 -2.722 1.00 43.33 C ATOM 39 O GLY A 6 5.349 -6.719 -2.404 1.00 64.22 O ATOM 0 H GLY A 6 2.440 -3.547 -2.778 1.00 15.25 H new ATOM 0 HA2 GLY A 6 5.131 -4.162 -2.266 1.00 43.30 H new ATOM 0 HA3 GLY A 6 3.742 -4.615 -1.298 1.00 43.30 H new ATOM 43 N ALA A 7 3.352 -6.631 -3.435 1.00 71.25 N ATOM 44 CA ALA A 7 3.406 -8.013 -3.897 1.00 3.21 C ATOM 45 C ALA A 7 4.520 -8.206 -4.920 1.00 25.41 C ATOM 46 O ALA A 7 5.216 -9.222 -4.909 1.00 21.42 O ATOM 47 CB ALA A 7 2.066 -8.425 -4.489 1.00 5.34 C ATOM 0 H ALA A 7 2.507 -6.129 -3.706 1.00 71.25 H new ATOM 0 HA ALA A 7 3.622 -8.649 -3.038 1.00 3.21 H new ATOM 0 HB1 ALA A 7 2.121 -9.459 -4.830 1.00 5.34 H new ATOM 0 HB2 ALA A 7 1.289 -8.334 -3.730 1.00 5.34 H new ATOM 0 HB3 ALA A 7 1.826 -7.777 -5.332 1.00 5.34 H new ATOM 53 N ILE A 8 4.684 -7.227 -5.803 1.00 13.24 N ATOM 54 CA ILE A 8 5.714 -7.290 -6.832 1.00 31.32 C ATOM 55 C ILE A 8 7.104 -7.122 -6.229 1.00 4.21 C ATOM 56 O ILE A 8 8.064 -7.753 -6.671 1.00 2.53 O ATOM 57 CB ILE A 8 5.500 -6.212 -7.910 1.00 11.51 C ATOM 58 CG1 ILE A 8 4.123 -6.373 -8.557 1.00 40.35 C ATOM 59 CG2 ILE A 8 6.598 -6.288 -8.961 1.00 14.45 C ATOM 60 CD1 ILE A 8 3.048 -5.528 -7.910 1.00 20.43 C ATOM 0 H ILE A 8 4.116 -6.380 -5.826 1.00 13.24 H new ATOM 0 HA ILE A 8 5.638 -8.274 -7.295 1.00 31.32 H new ATOM 0 HB ILE A 8 5.545 -5.231 -7.436 1.00 11.51 H new ATOM 0 HG12 ILE A 8 4.194 -6.110 -9.613 1.00 40.35 H new ATOM 0 HG13 ILE A 8 3.828 -7.421 -8.508 1.00 40.35 H new ATOM 0 HG21 ILE A 8 6.433 -5.520 -9.716 1.00 14.45 H new ATOM 0 HG22 ILE A 8 7.567 -6.129 -8.487 1.00 14.45 H new ATOM 0 HG23 ILE A 8 6.582 -7.270 -9.433 1.00 14.45 H new ATOM 0 HD11 ILE A 8 2.099 -5.693 -8.420 1.00 20.43 H new ATOM 0 HD12 ILE A 8 2.949 -5.806 -6.861 1.00 20.43 H new ATOM 0 HD13 ILE A 8 3.320 -4.475 -7.982 1.00 20.43 H new ATOM 72 N ALA A 9 7.204 -6.268 -5.216 1.00 4.44 N ATOM 73 CA ALA A 9 8.477 -6.019 -4.549 1.00 14.10 C ATOM 74 C ALA A 9 8.899 -7.218 -3.707 1.00 14.14 C ATOM 75 O ALA A 9 10.089 -7.480 -3.533 1.00 10.22 O ATOM 76 CB ALA A 9 8.384 -4.770 -3.684 1.00 61.34 C ATOM 0 H ALA A 9 6.419 -5.737 -4.839 1.00 4.44 H new ATOM 0 HA ALA A 9 9.236 -5.861 -5.315 1.00 14.10 H new ATOM 0 HB1 ALA A 9 9.341 -4.596 -3.192 1.00 61.34 H new ATOM 0 HB2 ALA A 9 8.136 -3.912 -4.309 1.00 61.34 H new ATOM 0 HB3 ALA A 9 7.608 -4.906 -2.931 1.00 61.34 H new ATOM 82 N LYS A 10 7.916 -7.944 -3.184 1.00 54.55 N ATOM 83 CA LYS A 10 8.184 -9.116 -2.360 1.00 41.11 C ATOM 84 C LYS A 10 8.814 -10.231 -3.189 1.00 2.14 C ATOM 85 O LYS A 10 9.347 -11.198 -2.643 1.00 71.32 O ATOM 86 CB LYS A 10 6.891 -9.616 -1.712 1.00 21.00 C ATOM 87 CG LYS A 10 6.573 -8.940 -0.390 1.00 15.03 C ATOM 88 CD LYS A 10 5.581 -9.752 0.427 1.00 52.41 C ATOM 89 CE LYS A 10 5.111 -8.986 1.655 1.00 62.25 C ATOM 90 NZ LYS A 10 4.209 -7.858 1.293 1.00 34.22 N ATOM 0 H LYS A 10 6.925 -7.740 -3.317 1.00 54.55 H new ATOM 0 HA LYS A 10 8.886 -8.827 -1.578 1.00 41.11 H new ATOM 0 HB2 LYS A 10 6.063 -9.454 -2.402 1.00 21.00 H new ATOM 0 HB3 LYS A 10 6.967 -10.691 -1.552 1.00 21.00 H new ATOM 0 HG2 LYS A 10 7.492 -8.805 0.181 1.00 15.03 H new ATOM 0 HG3 LYS A 10 6.165 -7.947 -0.577 1.00 15.03 H new ATOM 0 HD2 LYS A 10 4.722 -10.010 -0.193 1.00 52.41 H new ATOM 0 HD3 LYS A 10 6.044 -10.689 0.736 1.00 52.41 H new ATOM 0 HE2 LYS A 10 4.590 -9.665 2.330 1.00 62.25 H new ATOM 0 HE3 LYS A 10 5.975 -8.601 2.196 1.00 62.25 H new ATOM 0 HZ1 LYS A 10 3.777 -7.468 2.155 1.00 34.22 H new ATOM 0 HZ2 LYS A 10 4.757 -7.115 0.814 1.00 34.22 H new ATOM 0 HZ3 LYS A 10 3.462 -8.202 0.657 1.00 34.22 H new ATOM 104 N LEU A 11 8.751 -10.089 -4.508 1.00 5.01 N ATOM 105 CA LEU A 11 9.318 -11.084 -5.412 1.00 54.12 C ATOM 106 C LEU A 11 10.826 -10.902 -5.546 1.00 62.20 C ATOM 107 O LEU A 11 11.536 -11.816 -5.968 1.00 1.40 O ATOM 108 CB LEU A 11 8.657 -10.986 -6.788 1.00 54.02 C ATOM 109 CG LEU A 11 7.158 -10.682 -6.793 1.00 20.22 C ATOM 110 CD1 LEU A 11 6.647 -10.538 -8.218 1.00 0.11 C ATOM 111 CD2 LEU A 11 6.391 -11.771 -6.057 1.00 11.12 C ATOM 0 H LEU A 11 8.313 -9.295 -4.975 1.00 5.01 H new ATOM 0 HA LEU A 11 9.126 -12.071 -4.992 1.00 54.12 H new ATOM 0 HB2 LEU A 11 9.167 -10.210 -7.359 1.00 54.02 H new ATOM 0 HB3 LEU A 11 8.818 -11.927 -7.314 1.00 54.02 H new ATOM 0 HG LEU A 11 6.997 -9.737 -6.274 1.00 20.22 H new ATOM 0 HD11 LEU A 11 5.579 -10.322 -8.201 1.00 0.11 H new ATOM 0 HD12 LEU A 11 7.174 -9.723 -8.713 1.00 0.11 H new ATOM 0 HD13 LEU A 11 6.821 -11.466 -8.762 1.00 0.11 H new ATOM 0 HD21 LEU A 11 5.326 -11.538 -6.070 1.00 11.12 H new ATOM 0 HD22 LEU A 11 6.559 -12.730 -6.548 1.00 11.12 H new ATOM 0 HD23 LEU A 11 6.737 -11.826 -5.025 1.00 11.12 H new ATOM 123 N ILE A 12 11.309 -9.719 -5.182 1.00 71.02 N ATOM 124 CA ILE A 12 12.733 -9.419 -5.259 1.00 24.44 C ATOM 125 C ILE A 12 13.550 -10.418 -4.446 1.00 34.44 C ATOM 126 O ILE A 12 14.437 -11.098 -4.961 1.00 61.32 O ATOM 127 CB ILE A 12 13.037 -7.996 -4.756 1.00 10.31 C ATOM 128 CG1 ILE A 12 12.912 -6.989 -5.902 1.00 31.34 C ATOM 129 CG2 ILE A 12 14.427 -7.936 -4.141 1.00 23.41 C ATOM 130 CD1 ILE A 12 13.959 -7.167 -6.979 1.00 13.01 C ATOM 0 H ILE A 12 10.735 -8.953 -4.831 1.00 71.02 H new ATOM 0 HA ILE A 12 13.014 -9.492 -6.310 1.00 24.44 H new ATOM 0 HB ILE A 12 12.310 -7.736 -3.987 1.00 10.31 H new ATOM 0 HG12 ILE A 12 11.922 -7.081 -6.350 1.00 31.34 H new ATOM 0 HG13 ILE A 12 12.986 -5.979 -5.498 1.00 31.34 H new ATOM 0 HG21 ILE A 12 14.626 -6.923 -3.790 1.00 23.41 H new ATOM 0 HG22 ILE A 12 14.483 -8.628 -3.301 1.00 23.41 H new ATOM 0 HG23 ILE A 12 15.169 -8.213 -4.890 1.00 23.41 H new ATOM 0 HD11 ILE A 12 13.810 -6.420 -7.759 1.00 13.01 H new ATOM 0 HD12 ILE A 12 14.952 -7.045 -6.545 1.00 13.01 H new ATOM 0 HD13 ILE A 12 13.871 -8.164 -7.410 1.00 13.01 H new ATOM 142 N PRO A 13 13.243 -10.512 -3.143 1.00 71.22 N ATOM 143 CA PRO A 13 13.935 -11.428 -2.231 1.00 12.41 C ATOM 144 C PRO A 13 13.604 -12.889 -2.515 1.00 11.24 C ATOM 145 O PRO A 13 14.339 -13.792 -2.115 1.00 3.20 O ATOM 146 CB PRO A 13 13.410 -11.018 -0.852 1.00 60.44 C ATOM 147 CG PRO A 13 12.080 -10.404 -1.121 1.00 12.34 C ATOM 148 CD PRO A 13 12.197 -9.732 -2.461 1.00 75.30 C ATOM 0 HA PRO A 13 15.018 -11.359 -2.328 1.00 12.41 H new ATOM 0 HB2 PRO A 13 13.322 -11.879 -0.190 1.00 60.44 H new ATOM 0 HB3 PRO A 13 14.082 -10.310 -0.367 1.00 60.44 H new ATOM 0 HG2 PRO A 13 11.296 -11.161 -1.131 1.00 12.34 H new ATOM 0 HG3 PRO A 13 11.818 -9.684 -0.345 1.00 12.34 H new ATOM 0 HD2 PRO A 13 11.255 -9.759 -3.008 1.00 75.30 H new ATOM 0 HD3 PRO A 13 12.478 -8.684 -2.362 1.00 75.30 H new ATOM 156 N LYS A 14 12.493 -13.115 -3.207 1.00 71.33 N ATOM 157 CA LYS A 14 12.065 -14.467 -3.547 1.00 35.12 C ATOM 158 C LYS A 14 13.156 -15.208 -4.312 1.00 43.33 C ATOM 159 O LYS A 14 13.567 -16.303 -3.925 1.00 11.51 O ATOM 160 CB LYS A 14 10.782 -14.423 -4.381 1.00 21.43 C ATOM 161 CG LYS A 14 9.579 -15.030 -3.679 1.00 2.52 C ATOM 162 CD LYS A 14 8.345 -15.003 -4.564 1.00 52.44 C ATOM 163 CE LYS A 14 7.939 -16.403 -4.998 1.00 43.00 C ATOM 164 NZ LYS A 14 7.428 -17.211 -3.856 1.00 42.03 N ATOM 0 H LYS A 14 11.872 -12.379 -3.544 1.00 71.33 H new ATOM 0 HA LYS A 14 11.870 -15.003 -2.618 1.00 35.12 H new ATOM 0 HB2 LYS A 14 10.559 -13.387 -4.635 1.00 21.43 H new ATOM 0 HB3 LYS A 14 10.950 -14.952 -5.319 1.00 21.43 H new ATOM 0 HG2 LYS A 14 9.802 -16.059 -3.396 1.00 2.52 H new ATOM 0 HG3 LYS A 14 9.379 -14.482 -2.758 1.00 2.52 H new ATOM 0 HD2 LYS A 14 7.521 -14.534 -4.026 1.00 52.44 H new ATOM 0 HD3 LYS A 14 8.541 -14.391 -5.444 1.00 52.44 H new ATOM 0 HE2 LYS A 14 7.171 -16.336 -5.768 1.00 43.00 H new ATOM 0 HE3 LYS A 14 8.796 -16.907 -5.445 1.00 43.00 H new ATOM 0 HZ1 LYS A 14 6.946 -18.058 -4.218 1.00 42.03 H new ATOM 0 HZ2 LYS A 14 8.223 -17.497 -3.250 1.00 42.03 H new ATOM 0 HZ3 LYS A 14 6.757 -16.642 -3.301 1.00 42.03 H new ATOM 178 N LEU A 15 13.624 -14.604 -5.399 1.00 52.13 N ATOM 179 CA LEU A 15 14.670 -15.206 -6.219 1.00 10.32 C ATOM 180 C LEU A 15 16.040 -15.019 -5.576 1.00 24.25 C ATOM 181 O LEU A 15 16.955 -15.811 -5.799 1.00 21.03 O ATOM 182 CB LEU A 15 14.664 -14.592 -7.620 1.00 31.20 C ATOM 183 CG LEU A 15 13.376 -14.771 -8.425 1.00 42.52 C ATOM 184 CD1 LEU A 15 13.117 -13.550 -9.295 1.00 22.21 C ATOM 185 CD2 LEU A 15 13.450 -16.029 -9.277 1.00 60.13 C ATOM 0 H LEU A 15 13.296 -13.698 -5.733 1.00 52.13 H new ATOM 0 HA LEU A 15 14.467 -16.274 -6.296 1.00 10.32 H new ATOM 0 HB2 LEU A 15 14.866 -13.525 -7.528 1.00 31.20 H new ATOM 0 HB3 LEU A 15 15.487 -15.025 -8.188 1.00 31.20 H new ATOM 0 HG LEU A 15 12.546 -14.878 -7.727 1.00 42.52 H new ATOM 0 HD11 LEU A 15 12.197 -13.695 -9.861 1.00 22.21 H new ATOM 0 HD12 LEU A 15 13.019 -12.667 -8.663 1.00 22.21 H new ATOM 0 HD13 LEU A 15 13.949 -13.412 -9.985 1.00 22.21 H new ATOM 0 HD21 LEU A 15 12.525 -16.140 -9.843 1.00 60.13 H new ATOM 0 HD22 LEU A 15 14.290 -15.952 -9.967 1.00 60.13 H new ATOM 0 HD23 LEU A 15 13.588 -16.897 -8.633 1.00 60.13 H new ATOM 197 N GLY A 16 16.174 -13.967 -4.774 1.00 1.13 N ATOM 198 CA GLY A 16 17.435 -13.697 -4.109 1.00 2.44 C ATOM 199 C GLY A 16 17.942 -14.888 -3.320 1.00 52.00 C ATOM 200 O GLY A 16 19.144 -15.029 -3.101 1.00 4.53 O ATOM 0 H GLY A 16 15.432 -13.297 -4.573 1.00 1.13 H new ATOM 0 HA2 GLY A 16 18.180 -13.414 -4.852 1.00 2.44 H new ATOM 0 HA3 GLY A 16 17.314 -12.846 -3.439 1.00 2.44 H new ATOM 204 N GLU A 17 17.022 -15.747 -2.892 1.00 11.23 N ATOM 205 CA GLU A 17 17.383 -16.931 -2.121 1.00 1.54 C ATOM 206 C GLU A 17 18.143 -17.932 -2.985 1.00 73.35 C ATOM 207 O GLU A 17 19.019 -18.650 -2.501 1.00 11.33 O ATOM 208 CB GLU A 17 16.131 -17.589 -1.539 1.00 34.14 C ATOM 209 CG GLU A 17 16.432 -18.688 -0.533 1.00 51.04 C ATOM 210 CD GLU A 17 15.548 -19.906 -0.718 1.00 62.35 C ATOM 211 OE1 GLU A 17 14.335 -19.808 -0.441 1.00 11.53 O ATOM 212 OE2 GLU A 17 16.071 -20.959 -1.142 1.00 11.34 O ATOM 0 H GLU A 17 16.022 -15.645 -3.066 1.00 11.23 H new ATOM 0 HA GLU A 17 18.032 -16.617 -1.304 1.00 1.54 H new ATOM 0 HB2 GLU A 17 15.520 -16.825 -1.058 1.00 34.14 H new ATOM 0 HB3 GLU A 17 15.538 -18.006 -2.353 1.00 34.14 H new ATOM 0 HG2 GLU A 17 17.477 -18.984 -0.626 1.00 51.04 H new ATOM 0 HG3 GLU A 17 16.300 -18.298 0.476 1.00 51.04 H new ATOM 219 N LEU A 18 17.801 -17.976 -4.268 1.00 75.23 N ATOM 220 CA LEU A 18 18.449 -18.890 -5.202 1.00 60.13 C ATOM 221 C LEU A 18 19.692 -18.252 -5.815 1.00 13.24 C ATOM 222 O LEU A 18 20.443 -18.903 -6.541 1.00 65.12 O ATOM 223 CB LEU A 18 17.474 -19.298 -6.308 1.00 14.31 C ATOM 224 CG LEU A 18 16.670 -20.574 -6.057 1.00 61.21 C ATOM 225 CD1 LEU A 18 17.601 -21.761 -5.864 1.00 33.41 C ATOM 226 CD2 LEU A 18 15.762 -20.404 -4.848 1.00 52.21 C ATOM 0 H LEU A 18 17.078 -17.389 -4.685 1.00 75.23 H new ATOM 0 HA LEU A 18 18.754 -19.778 -4.649 1.00 60.13 H new ATOM 0 HB2 LEU A 18 16.775 -18.478 -6.469 1.00 14.31 H new ATOM 0 HB3 LEU A 18 18.037 -19.423 -7.233 1.00 14.31 H new ATOM 0 HG LEU A 18 16.046 -20.765 -6.930 1.00 61.21 H new ATOM 0 HD11 LEU A 18 17.012 -22.661 -5.686 1.00 33.41 H new ATOM 0 HD12 LEU A 18 18.209 -21.896 -6.759 1.00 33.41 H new ATOM 0 HD13 LEU A 18 18.251 -21.578 -5.008 1.00 33.41 H new ATOM 0 HD21 LEU A 18 15.198 -21.322 -4.685 1.00 52.21 H new ATOM 0 HD22 LEU A 18 16.366 -20.188 -3.967 1.00 52.21 H new ATOM 0 HD23 LEU A 18 15.071 -19.580 -5.025 1.00 52.21 H new ATOM 238 N LEU A 19 19.903 -16.975 -5.515 1.00 50.02 N ATOM 239 CA LEU A 19 21.056 -16.248 -6.034 1.00 65.22 C ATOM 240 C LEU A 19 22.189 -16.224 -5.013 1.00 2.51 C ATOM 241 O LEU A 19 23.313 -15.831 -5.326 1.00 1.30 O ATOM 242 CB LEU A 19 20.658 -14.819 -6.406 1.00 4.31 C ATOM 243 CG LEU A 19 20.222 -14.599 -7.855 1.00 11.22 C ATOM 244 CD1 LEU A 19 18.752 -14.947 -8.028 1.00 14.30 C ATOM 245 CD2 LEU A 19 20.485 -13.161 -8.279 1.00 22.23 C ATOM 0 H LEU A 19 19.291 -16.422 -4.915 1.00 50.02 H new ATOM 0 HA LEU A 19 21.408 -16.764 -6.927 1.00 65.22 H new ATOM 0 HB2 LEU A 19 19.844 -14.508 -5.751 1.00 4.31 H new ATOM 0 HB3 LEU A 19 21.503 -14.162 -6.198 1.00 4.31 H new ATOM 0 HG LEU A 19 20.808 -15.258 -8.495 1.00 11.22 H new ATOM 0 HD11 LEU A 19 18.459 -14.784 -9.065 1.00 14.30 H new ATOM 0 HD12 LEU A 19 18.592 -15.993 -7.766 1.00 14.30 H new ATOM 0 HD13 LEU A 19 18.149 -14.314 -7.377 1.00 14.30 H new ATOM 0 HD21 LEU A 19 20.169 -13.023 -9.313 1.00 22.23 H new ATOM 0 HD22 LEU A 19 19.925 -12.483 -7.634 1.00 22.23 H new ATOM 0 HD23 LEU A 19 21.550 -12.946 -8.194 1.00 22.23 H new ATOM 257 N VAL A 20 21.886 -16.648 -3.790 1.00 40.12 N ATOM 258 CA VAL A 20 22.879 -16.678 -2.723 1.00 42.22 C ATOM 259 C VAL A 20 23.779 -17.903 -2.844 1.00 13.31 C ATOM 260 O VAL A 20 24.912 -17.904 -2.364 1.00 54.32 O ATOM 261 CB VAL A 20 22.212 -16.679 -1.335 1.00 72.41 C ATOM 262 CG1 VAL A 20 21.276 -15.489 -1.191 1.00 0.11 C ATOM 263 CG2 VAL A 20 21.466 -17.985 -1.104 1.00 61.14 C ATOM 0 H VAL A 20 20.960 -16.976 -3.514 1.00 40.12 H new ATOM 0 HA VAL A 20 23.482 -15.776 -2.827 1.00 42.22 H new ATOM 0 HB VAL A 20 22.990 -16.592 -0.577 1.00 72.41 H new ATOM 0 HG11 VAL A 20 20.814 -15.507 -0.204 1.00 0.11 H new ATOM 0 HG12 VAL A 20 21.841 -14.565 -1.310 1.00 0.11 H new ATOM 0 HG13 VAL A 20 20.501 -15.541 -1.955 1.00 0.11 H new ATOM 0 HG21 VAL A 20 21.001 -17.969 -0.118 1.00 61.14 H new ATOM 0 HG22 VAL A 20 20.697 -18.104 -1.867 1.00 61.14 H new ATOM 0 HG23 VAL A 20 22.166 -18.819 -1.161 1.00 61.14 H new ATOM 273 N GLY A 21 23.266 -18.946 -3.489 1.00 54.14 N ATOM 274 CA GLY A 21 24.036 -20.163 -3.662 1.00 62.43 C ATOM 275 C GLY A 21 23.606 -21.262 -2.711 1.00 35.11 C ATOM 276 O GLY A 21 24.400 -22.133 -2.359 1.00 60.44 O ATOM 0 H GLY A 21 22.331 -18.970 -3.895 1.00 54.14 H new ATOM 0 HA2 GLY A 21 23.930 -20.513 -4.689 1.00 62.43 H new ATOM 0 HA3 GLY A 21 25.093 -19.946 -3.507 1.00 62.43 H new ATOM 280 N GLU A 22 22.344 -21.220 -2.292 1.00 45.23 N ATOM 281 CA GLU A 22 21.811 -22.219 -1.373 1.00 44.34 C ATOM 282 C GLU A 22 20.945 -23.233 -2.115 1.00 11.40 C ATOM 283 O GLU A 22 19.716 -23.176 -2.056 1.00 64.32 O ATOM 284 CB GLU A 22 20.995 -21.544 -0.269 1.00 74.14 C ATOM 285 CG GLU A 22 21.842 -21.002 0.870 1.00 54.04 C ATOM 286 CD GLU A 22 21.073 -20.052 1.768 1.00 72.25 C ATOM 287 OE1 GLU A 22 19.949 -19.659 1.392 1.00 35.44 O ATOM 288 OE2 GLU A 22 21.596 -19.702 2.846 1.00 22.11 O ATOM 0 H GLU A 22 21.673 -20.506 -2.574 1.00 45.23 H new ATOM 0 HA GLU A 22 22.651 -22.747 -0.922 1.00 44.34 H new ATOM 0 HB2 GLU A 22 20.419 -20.727 -0.703 1.00 74.14 H new ATOM 0 HB3 GLU A 22 20.279 -22.261 0.132 1.00 74.14 H new ATOM 0 HG2 GLU A 22 22.219 -21.834 1.465 1.00 54.04 H new ATOM 0 HG3 GLU A 22 22.709 -20.485 0.459 1.00 54.04 H new ATOM 295 N TYR A 23 21.594 -24.158 -2.813 1.00 31.14 N ATOM 296 CA TYR A 23 20.884 -25.183 -3.568 1.00 71.15 C ATOM 297 C TYR A 23 21.847 -26.253 -4.073 1.00 21.31 C ATOM 298 O TYR A 23 23.039 -26.000 -4.249 1.00 60.21 O ATOM 299 CB TYR A 23 20.140 -24.554 -4.748 1.00 4.42 C ATOM 300 CG TYR A 23 21.057 -23.994 -5.812 1.00 52.40 C ATOM 301 CD1 TYR A 23 21.586 -22.714 -5.698 1.00 54.15 C ATOM 302 CD2 TYR A 23 21.395 -24.745 -6.931 1.00 33.10 C ATOM 303 CE1 TYR A 23 22.423 -22.198 -6.669 1.00 34.21 C ATOM 304 CE2 TYR A 23 22.232 -24.238 -7.906 1.00 3.03 C ATOM 305 CZ TYR A 23 22.743 -22.964 -7.770 1.00 42.03 C ATOM 306 OH TYR A 23 23.578 -22.454 -8.738 1.00 72.45 O ATOM 0 H TYR A 23 22.610 -24.219 -2.872 1.00 31.14 H new ATOM 0 HA TYR A 23 20.162 -25.654 -2.901 1.00 71.15 H new ATOM 0 HB2 TYR A 23 19.490 -25.304 -5.198 1.00 4.42 H new ATOM 0 HB3 TYR A 23 19.497 -23.756 -4.378 1.00 4.42 H new ATOM 0 HD1 TYR A 23 21.339 -22.112 -4.836 1.00 54.15 H new ATOM 0 HD2 TYR A 23 20.996 -25.743 -7.040 1.00 33.10 H new ATOM 0 HE1 TYR A 23 22.824 -21.201 -6.566 1.00 34.21 H new ATOM 0 HE2 TYR A 23 22.485 -24.835 -8.769 1.00 3.03 H new ATOM 0 HH TYR A 23 23.251 -22.717 -9.624 1.00 72.45 H new ATOM 316 N LYS A 24 21.321 -27.451 -4.304 1.00 62.43 N ATOM 317 CA LYS A 24 22.131 -28.562 -4.790 1.00 62.14 C ATOM 318 C LYS A 24 21.811 -28.871 -6.249 1.00 71.34 C ATOM 319 O LYS A 24 21.302 -29.946 -6.569 1.00 74.25 O ATOM 320 CB LYS A 24 21.896 -29.806 -3.931 1.00 21.21 C ATOM 321 CG LYS A 24 22.198 -29.594 -2.458 1.00 3.34 C ATOM 322 CD LYS A 24 23.596 -30.070 -2.101 1.00 22.53 C ATOM 323 CE LYS A 24 23.969 -29.687 -0.677 1.00 23.01 C ATOM 324 NZ LYS A 24 25.161 -30.439 -0.194 1.00 53.21 N ATOM 0 H LYS A 24 20.337 -27.678 -4.162 1.00 62.43 H new ATOM 0 HA LYS A 24 23.179 -28.272 -4.719 1.00 62.14 H new ATOM 0 HB2 LYS A 24 20.858 -30.121 -4.039 1.00 21.21 H new ATOM 0 HB3 LYS A 24 22.517 -30.619 -4.307 1.00 21.21 H new ATOM 0 HG2 LYS A 24 22.100 -28.536 -2.214 1.00 3.34 H new ATOM 0 HG3 LYS A 24 21.465 -30.130 -1.855 1.00 3.34 H new ATOM 0 HD2 LYS A 24 23.653 -31.153 -2.214 1.00 22.53 H new ATOM 0 HD3 LYS A 24 24.317 -29.639 -2.796 1.00 22.53 H new ATOM 0 HE2 LYS A 24 24.171 -28.617 -0.630 1.00 23.01 H new ATOM 0 HE3 LYS A 24 23.125 -29.881 -0.016 1.00 23.01 H new ATOM 0 HZ1 LYS A 24 25.383 -30.150 0.780 1.00 53.21 H new ATOM 0 HZ2 LYS A 24 24.960 -31.459 -0.215 1.00 53.21 H new ATOM 0 HZ3 LYS A 24 25.974 -30.234 -0.810 1.00 53.21 H new ATOM 338 N LEU A 25 22.114 -27.924 -7.130 1.00 75.12 N ATOM 339 CA LEU A 25 21.859 -28.096 -8.556 1.00 63.14 C ATOM 340 C LEU A 25 22.981 -27.482 -9.388 1.00 10.45 C ATOM 341 O LEU A 25 23.872 -26.820 -8.854 1.00 64.31 O ATOM 342 CB LEU A 25 20.521 -27.460 -8.936 1.00 73.52 C ATOM 343 CG LEU A 25 19.369 -27.686 -7.957 1.00 35.34 C ATOM 344 CD1 LEU A 25 18.213 -26.747 -8.265 1.00 44.45 C ATOM 345 CD2 LEU A 25 18.906 -29.135 -8.002 1.00 23.43 C ATOM 0 H LEU A 25 22.536 -27.029 -6.882 1.00 75.12 H new ATOM 0 HA LEU A 25 21.819 -29.165 -8.766 1.00 63.14 H new ATOM 0 HB2 LEU A 25 20.671 -26.386 -9.048 1.00 73.52 H new ATOM 0 HB3 LEU A 25 20.223 -27.844 -9.912 1.00 73.52 H new ATOM 0 HG LEU A 25 19.727 -27.470 -6.950 1.00 35.34 H new ATOM 0 HD11 LEU A 25 17.403 -26.923 -7.557 1.00 44.45 H new ATOM 0 HD12 LEU A 25 18.551 -25.714 -8.180 1.00 44.45 H new ATOM 0 HD13 LEU A 25 17.856 -26.930 -9.278 1.00 44.45 H new ATOM 0 HD21 LEU A 25 18.086 -29.277 -7.299 1.00 23.43 H new ATOM 0 HD22 LEU A 25 18.567 -29.377 -9.009 1.00 23.43 H new ATOM 0 HD23 LEU A 25 19.734 -29.790 -7.731 1.00 23.43 H new ATOM 357 N HIS A 26 22.929 -27.703 -10.697 1.00 45.33 N ATOM 358 CA HIS A 26 23.940 -27.168 -11.603 1.00 70.22 C ATOM 359 C HIS A 26 24.119 -25.668 -11.393 1.00 3.35 C ATOM 360 O HIS A 26 23.191 -24.973 -10.978 1.00 4.21 O ATOM 361 CB HIS A 26 23.553 -27.448 -13.055 1.00 72.45 C ATOM 362 CG HIS A 26 24.728 -27.565 -13.977 1.00 32.32 C ATOM 363 ND1 HIS A 26 25.777 -28.432 -13.753 1.00 14.05 N ATOM 364 CD2 HIS A 26 25.015 -26.920 -15.131 1.00 43.22 C ATOM 365 CE1 HIS A 26 26.659 -28.313 -14.728 1.00 63.22 C ATOM 366 NE2 HIS A 26 26.221 -27.402 -15.578 1.00 72.32 N ATOM 0 H HIS A 26 22.198 -28.248 -11.155 1.00 45.33 H new ATOM 0 HA HIS A 26 24.886 -27.663 -11.385 1.00 70.22 H new ATOM 0 HB2 HIS A 26 22.976 -28.372 -13.097 1.00 72.45 H new ATOM 0 HB3 HIS A 26 22.902 -26.649 -13.409 1.00 72.45 H new ATOM 0 HD2 HIS A 26 24.409 -26.166 -15.611 1.00 43.22 H new ATOM 0 HE1 HIS A 26 27.582 -28.867 -14.816 1.00 63.22 H new ATOM 0 HE2 HIS A 26 26.700 -27.105 -16.428 1.00 72.32 H new ATOM 374 N LYS A 27 25.319 -25.174 -11.680 1.00 71.01 N ATOM 375 CA LYS A 27 25.621 -23.756 -11.523 1.00 60.31 C ATOM 376 C LYS A 27 24.905 -22.927 -12.584 1.00 14.42 C ATOM 377 O LYS A 27 24.556 -21.770 -12.350 1.00 63.05 O ATOM 378 CB LYS A 27 27.131 -23.523 -11.611 1.00 51.35 C ATOM 379 CG LYS A 27 27.583 -22.219 -10.977 1.00 53.30 C ATOM 380 CD LYS A 27 27.838 -22.382 -9.488 1.00 61.21 C ATOM 381 CE LYS A 27 29.293 -22.724 -9.206 1.00 43.44 C ATOM 382 NZ LYS A 27 29.561 -24.180 -9.359 1.00 71.55 N ATOM 0 H LYS A 27 26.099 -25.735 -12.023 1.00 71.01 H new ATOM 0 HA LYS A 27 25.267 -23.441 -10.541 1.00 60.31 H new ATOM 0 HB2 LYS A 27 27.647 -24.351 -11.125 1.00 51.35 H new ATOM 0 HB3 LYS A 27 27.431 -23.531 -12.659 1.00 51.35 H new ATOM 0 HG2 LYS A 27 28.492 -21.871 -11.467 1.00 53.30 H new ATOM 0 HG3 LYS A 27 26.823 -21.454 -11.135 1.00 53.30 H new ATOM 0 HD2 LYS A 27 27.573 -21.461 -8.969 1.00 61.21 H new ATOM 0 HD3 LYS A 27 27.195 -23.168 -9.091 1.00 61.21 H new ATOM 0 HE2 LYS A 27 29.936 -22.163 -9.885 1.00 43.44 H new ATOM 0 HE3 LYS A 27 29.550 -22.412 -8.194 1.00 43.44 H new ATOM 0 HZ1 LYS A 27 30.433 -24.428 -8.849 1.00 71.55 H new ATOM 0 HZ2 LYS A 27 28.765 -24.723 -8.968 1.00 71.55 H new ATOM 0 HZ3 LYS A 27 29.673 -24.408 -10.367 1.00 71.55 H new ATOM 396 N GLY A 28 24.686 -23.526 -13.750 1.00 65.34 N ATOM 397 CA GLY A 28 24.011 -22.828 -14.829 1.00 4.04 C ATOM 398 C GLY A 28 22.656 -22.291 -14.413 1.00 22.03 C ATOM 399 O GLY A 28 22.150 -21.338 -15.005 1.00 15.13 O ATOM 0 H GLY A 28 24.964 -24.483 -13.967 1.00 65.34 H new ATOM 0 HA2 GLY A 28 24.636 -22.003 -15.171 1.00 4.04 H new ATOM 0 HA3 GLY A 28 23.886 -23.505 -15.674 1.00 4.04 H new ATOM 403 N VAL A 29 22.066 -22.905 -13.392 1.00 50.10 N ATOM 404 CA VAL A 29 20.761 -22.483 -12.898 1.00 33.43 C ATOM 405 C VAL A 29 20.801 -21.044 -12.398 1.00 1.32 C ATOM 406 O VAL A 29 19.855 -20.280 -12.593 1.00 45.22 O ATOM 407 CB VAL A 29 20.270 -23.397 -11.759 1.00 20.01 C ATOM 408 CG1 VAL A 29 18.912 -22.936 -11.252 1.00 72.52 C ATOM 409 CG2 VAL A 29 20.212 -24.844 -12.225 1.00 12.01 C ATOM 0 H VAL A 29 22.471 -23.696 -12.891 1.00 50.10 H new ATOM 0 HA VAL A 29 20.068 -22.554 -13.736 1.00 33.43 H new ATOM 0 HB VAL A 29 20.979 -23.333 -10.934 1.00 20.01 H new ATOM 0 HG11 VAL A 29 18.581 -23.594 -10.448 1.00 72.52 H new ATOM 0 HG12 VAL A 29 18.991 -21.916 -10.877 1.00 72.52 H new ATOM 0 HG13 VAL A 29 18.189 -22.968 -12.067 1.00 72.52 H new ATOM 0 HG21 VAL A 29 19.863 -25.476 -11.408 1.00 12.01 H new ATOM 0 HG22 VAL A 29 19.525 -24.928 -13.067 1.00 12.01 H new ATOM 0 HG23 VAL A 29 21.206 -25.167 -12.534 1.00 12.01 H new ATOM 419 N LYS A 30 21.903 -20.678 -11.751 1.00 61.45 N ATOM 420 CA LYS A 30 22.070 -19.329 -11.224 1.00 34.30 C ATOM 421 C LYS A 30 21.806 -18.286 -12.305 1.00 61.01 C ATOM 422 O LYS A 30 21.164 -17.266 -12.055 1.00 14.02 O ATOM 423 CB LYS A 30 23.481 -19.150 -10.661 1.00 23.41 C ATOM 424 CG LYS A 30 23.567 -19.354 -9.158 1.00 62.53 C ATOM 425 CD LYS A 30 23.013 -18.160 -8.401 1.00 11.43 C ATOM 426 CE LYS A 30 23.998 -17.000 -8.391 1.00 34.44 C ATOM 427 NZ LYS A 30 23.757 -16.058 -9.518 1.00 75.13 N ATOM 0 H LYS A 30 22.694 -21.298 -11.579 1.00 61.45 H new ATOM 0 HA LYS A 30 21.345 -19.187 -10.422 1.00 34.30 H new ATOM 0 HB2 LYS A 30 24.152 -19.854 -11.154 1.00 23.41 H new ATOM 0 HB3 LYS A 30 23.836 -18.148 -10.904 1.00 23.41 H new ATOM 0 HG2 LYS A 30 23.014 -20.251 -8.879 1.00 62.53 H new ATOM 0 HG3 LYS A 30 24.606 -19.518 -8.871 1.00 62.53 H new ATOM 0 HD2 LYS A 30 22.077 -17.840 -8.859 1.00 11.43 H new ATOM 0 HD3 LYS A 30 22.783 -18.452 -7.376 1.00 11.43 H new ATOM 0 HE2 LYS A 30 23.917 -16.463 -7.446 1.00 34.44 H new ATOM 0 HE3 LYS A 30 25.015 -17.387 -8.452 1.00 34.44 H new ATOM 0 HZ1 LYS A 30 24.487 -16.193 -10.246 1.00 75.13 H new ATOM 0 HZ2 LYS A 30 22.820 -16.242 -9.930 1.00 75.13 H new ATOM 0 HZ3 LYS A 30 23.795 -15.080 -9.167 1.00 75.13 H new ATOM 441 N LYS A 31 22.305 -18.548 -13.508 1.00 70.53 N ATOM 442 CA LYS A 31 22.122 -17.634 -14.629 1.00 75.22 C ATOM 443 C LYS A 31 20.646 -17.512 -14.996 1.00 11.13 C ATOM 444 O LYS A 31 20.203 -16.474 -15.486 1.00 72.54 O ATOM 445 CB LYS A 31 22.921 -18.115 -15.842 1.00 61.03 C ATOM 446 CG LYS A 31 24.421 -17.925 -15.696 1.00 70.23 C ATOM 447 CD LYS A 31 24.866 -16.572 -16.224 1.00 53.51 C ATOM 448 CE LYS A 31 24.940 -16.562 -17.743 1.00 73.52 C ATOM 449 NZ LYS A 31 25.790 -15.450 -18.251 1.00 33.04 N ATOM 0 H LYS A 31 22.840 -19.387 -13.732 1.00 70.53 H new ATOM 0 HA LYS A 31 22.486 -16.652 -14.328 1.00 75.22 H new ATOM 0 HB2 LYS A 31 22.712 -19.172 -16.009 1.00 61.03 H new ATOM 0 HB3 LYS A 31 22.580 -17.579 -16.727 1.00 61.03 H new ATOM 0 HG2 LYS A 31 24.700 -18.016 -14.646 1.00 70.23 H new ATOM 0 HG3 LYS A 31 24.943 -18.716 -16.234 1.00 70.23 H new ATOM 0 HD2 LYS A 31 24.171 -15.803 -15.888 1.00 53.51 H new ATOM 0 HD3 LYS A 31 25.843 -16.322 -15.810 1.00 53.51 H new ATOM 0 HE2 LYS A 31 25.340 -17.514 -18.093 1.00 73.52 H new ATOM 0 HE3 LYS A 31 23.935 -16.468 -18.155 1.00 73.52 H new ATOM 0 HZ1 LYS A 31 25.814 -15.479 -19.290 1.00 33.04 H new ATOM 0 HZ2 LYS A 31 25.395 -14.540 -17.939 1.00 33.04 H new ATOM 0 HZ3 LYS A 31 26.756 -15.554 -17.879 1.00 33.04 H new ATOM 463 N ASN A 32 19.890 -18.578 -14.753 1.00 1.24 N ATOM 464 CA ASN A 32 18.464 -18.589 -15.057 1.00 12.35 C ATOM 465 C ASN A 32 17.681 -17.785 -14.023 1.00 2.52 C ATOM 466 O ASN A 32 16.775 -17.026 -14.368 1.00 42.54 O ATOM 467 CB ASN A 32 17.942 -20.026 -15.102 1.00 71.25 C ATOM 468 CG ASN A 32 18.008 -20.621 -16.496 1.00 11.01 C ATOM 469 OD1 ASN A 32 18.137 -19.900 -17.485 1.00 43.22 O ATOM 470 ND2 ASN A 32 17.919 -21.943 -16.579 1.00 73.35 N ATOM 0 H ASN A 32 20.241 -19.445 -14.347 1.00 1.24 H new ATOM 0 HA ASN A 32 18.323 -18.127 -16.034 1.00 12.35 H new ATOM 0 HB2 ASN A 32 18.525 -20.643 -14.418 1.00 71.25 H new ATOM 0 HB3 ASN A 32 16.911 -20.046 -14.749 1.00 71.25 H new ATOM 0 HD21 ASN A 32 17.957 -22.401 -17.490 1.00 73.35 H new ATOM 0 HD22 ASN A 32 17.813 -22.501 -15.732 1.00 73.35 H new ATOM 477 N ILE A 33 18.038 -17.956 -12.754 1.00 74.24 N ATOM 478 CA ILE A 33 17.370 -17.245 -11.671 1.00 21.41 C ATOM 479 C ILE A 33 17.749 -15.768 -11.667 1.00 72.22 C ATOM 480 O ILE A 33 16.881 -14.896 -11.654 1.00 5.40 O ATOM 481 CB ILE A 33 17.716 -17.856 -10.300 1.00 11.11 C ATOM 482 CG1 ILE A 33 17.535 -19.375 -10.333 1.00 53.23 C ATOM 483 CG2 ILE A 33 16.851 -17.238 -9.212 1.00 2.45 C ATOM 484 CD1 ILE A 33 16.133 -19.808 -10.703 1.00 23.21 C ATOM 0 H ILE A 33 18.786 -18.580 -12.451 1.00 74.24 H new ATOM 0 HA ILE A 33 16.298 -17.342 -11.843 1.00 21.41 H new ATOM 0 HB ILE A 33 18.760 -17.639 -10.075 1.00 11.11 H new ATOM 0 HG12 ILE A 33 18.239 -19.801 -11.048 1.00 53.23 H new ATOM 0 HG13 ILE A 33 17.787 -19.784 -9.355 1.00 53.23 H new ATOM 0 HG21 ILE A 33 17.107 -17.680 -8.249 1.00 2.45 H new ATOM 0 HG22 ILE A 33 17.025 -16.163 -9.176 1.00 2.45 H new ATOM 0 HG23 ILE A 33 15.800 -17.428 -9.431 1.00 2.45 H new ATOM 0 HD11 ILE A 33 16.077 -20.897 -10.707 1.00 23.21 H new ATOM 0 HD12 ILE A 33 15.426 -19.411 -9.975 1.00 23.21 H new ATOM 0 HD13 ILE A 33 15.885 -19.429 -11.694 1.00 23.21 H new ATOM 496 N GLU A 34 19.050 -15.496 -11.681 1.00 21.44 N ATOM 497 CA GLU A 34 19.543 -14.124 -11.680 1.00 21.12 C ATOM 498 C GLU A 34 18.950 -13.332 -12.841 1.00 74.13 C ATOM 499 O GLU A 34 18.723 -12.127 -12.733 1.00 40.21 O ATOM 500 CB GLU A 34 21.071 -14.108 -11.765 1.00 12.43 C ATOM 501 CG GLU A 34 21.608 -14.454 -13.143 1.00 74.23 C ATOM 502 CD GLU A 34 23.122 -14.533 -13.177 1.00 35.01 C ATOM 503 OE1 GLU A 34 23.719 -14.907 -12.146 1.00 35.43 O ATOM 504 OE2 GLU A 34 23.709 -14.220 -14.233 1.00 62.44 O ATOM 0 H GLU A 34 19.781 -16.207 -11.693 1.00 21.44 H new ATOM 0 HA GLU A 34 19.233 -13.654 -10.747 1.00 21.12 H new ATOM 0 HB2 GLU A 34 21.432 -13.119 -11.482 1.00 12.43 H new ATOM 0 HB3 GLU A 34 21.474 -14.814 -11.039 1.00 12.43 H new ATOM 0 HG2 GLU A 34 21.191 -15.409 -13.462 1.00 74.23 H new ATOM 0 HG3 GLU A 34 21.271 -13.704 -13.859 1.00 74.23 H new ATOM 511 N ASP A 35 18.701 -14.018 -13.951 1.00 61.04 N ATOM 512 CA ASP A 35 18.134 -13.380 -15.134 1.00 34.04 C ATOM 513 C ASP A 35 16.659 -13.055 -14.920 1.00 54.42 C ATOM 514 O ASP A 35 16.151 -12.057 -15.435 1.00 2.15 O ATOM 515 CB ASP A 35 18.298 -14.285 -16.356 1.00 15.31 C ATOM 516 CG ASP A 35 17.402 -13.870 -17.507 1.00 65.12 C ATOM 517 OD1 ASP A 35 16.220 -14.273 -17.515 1.00 22.11 O ATOM 518 OD2 ASP A 35 17.884 -13.142 -18.400 1.00 31.10 O ATOM 0 H ASP A 35 18.883 -15.016 -14.057 1.00 61.04 H new ATOM 0 HA ASP A 35 18.672 -12.448 -15.308 1.00 34.04 H new ATOM 0 HB2 ASP A 35 19.338 -14.265 -16.683 1.00 15.31 H new ATOM 0 HB3 ASP A 35 18.072 -15.314 -16.076 1.00 15.31 H new ATOM 523 N LEU A 36 15.975 -13.903 -14.160 1.00 0.30 N ATOM 524 CA LEU A 36 14.557 -13.706 -13.879 1.00 60.30 C ATOM 525 C LEU A 36 14.351 -12.562 -12.892 1.00 31.14 C ATOM 526 O LEU A 36 13.436 -11.752 -13.046 1.00 1.12 O ATOM 527 CB LEU A 36 13.944 -14.992 -13.322 1.00 24.51 C ATOM 528 CG LEU A 36 12.585 -15.392 -13.897 1.00 31.05 C ATOM 529 CD1 LEU A 36 12.346 -16.883 -13.715 1.00 12.13 C ATOM 530 CD2 LEU A 36 11.472 -14.588 -13.241 1.00 54.32 C ATOM 0 H LEU A 36 16.379 -14.734 -13.727 1.00 0.30 H new ATOM 0 HA LEU A 36 14.059 -13.448 -14.814 1.00 60.30 H new ATOM 0 HB2 LEU A 36 14.644 -15.809 -13.495 1.00 24.51 H new ATOM 0 HB3 LEU A 36 13.842 -14.884 -12.242 1.00 24.51 H new ATOM 0 HG LEU A 36 12.585 -15.173 -14.965 1.00 31.05 H new ATOM 0 HD11 LEU A 36 11.374 -17.149 -14.130 1.00 12.13 H new ATOM 0 HD12 LEU A 36 13.126 -17.442 -14.231 1.00 12.13 H new ATOM 0 HD13 LEU A 36 12.366 -17.128 -12.653 1.00 12.13 H new ATOM 0 HD21 LEU A 36 10.512 -14.885 -13.662 1.00 54.32 H new ATOM 0 HD22 LEU A 36 11.471 -14.776 -12.167 1.00 54.32 H new ATOM 0 HD23 LEU A 36 11.635 -13.526 -13.423 1.00 54.32 H new ATOM 542 N LEU A 37 15.208 -12.500 -11.879 1.00 30.45 N ATOM 543 CA LEU A 37 15.122 -11.454 -10.866 1.00 52.52 C ATOM 544 C LEU A 37 15.542 -10.105 -11.441 1.00 4.43 C ATOM 545 O LEU A 37 15.034 -9.059 -11.035 1.00 41.04 O ATOM 546 CB LEU A 37 16.001 -11.805 -9.664 1.00 74.25 C ATOM 547 CG LEU A 37 16.197 -10.697 -8.629 1.00 73.22 C ATOM 548 CD1 LEU A 37 14.854 -10.132 -8.191 1.00 44.05 C ATOM 549 CD2 LEU A 37 16.974 -11.219 -7.430 1.00 22.41 C ATOM 0 H LEU A 37 15.971 -13.162 -11.737 1.00 30.45 H new ATOM 0 HA LEU A 37 14.084 -11.383 -10.540 1.00 52.52 H new ATOM 0 HB2 LEU A 37 15.567 -12.670 -9.163 1.00 74.25 H new ATOM 0 HB3 LEU A 37 16.981 -12.108 -10.032 1.00 74.25 H new ATOM 0 HG LEU A 37 16.773 -9.894 -9.089 1.00 73.22 H new ATOM 0 HD11 LEU A 37 15.013 -9.345 -7.454 1.00 44.05 H new ATOM 0 HD12 LEU A 37 14.333 -9.720 -9.055 1.00 44.05 H new ATOM 0 HD13 LEU A 37 14.252 -10.926 -7.749 1.00 44.05 H new ATOM 0 HD21 LEU A 37 17.104 -10.417 -6.704 1.00 22.41 H new ATOM 0 HD22 LEU A 37 16.424 -12.040 -6.970 1.00 22.41 H new ATOM 0 HD23 LEU A 37 17.951 -11.575 -7.757 1.00 22.41 H new ATOM 561 N LYS A 38 16.473 -10.135 -12.389 1.00 32.32 N ATOM 562 CA LYS A 38 16.960 -8.916 -13.023 1.00 23.21 C ATOM 563 C LYS A 38 15.801 -8.071 -13.540 1.00 13.31 C ATOM 564 O LYS A 38 15.730 -6.871 -13.276 1.00 21.03 O ATOM 565 CB LYS A 38 17.908 -9.260 -14.174 1.00 41.43 C ATOM 566 CG LYS A 38 19.374 -9.259 -13.776 1.00 51.24 C ATOM 567 CD LYS A 38 20.245 -9.877 -14.857 1.00 3.11 C ATOM 568 CE LYS A 38 20.771 -8.823 -15.819 1.00 60.05 C ATOM 569 NZ LYS A 38 21.979 -8.136 -15.284 1.00 12.20 N ATOM 0 H LYS A 38 16.906 -10.991 -12.735 1.00 32.32 H new ATOM 0 HA LYS A 38 17.502 -8.338 -12.274 1.00 23.21 H new ATOM 0 HB2 LYS A 38 17.648 -10.243 -14.567 1.00 41.43 H new ATOM 0 HB3 LYS A 38 17.759 -8.544 -14.982 1.00 41.43 H new ATOM 0 HG2 LYS A 38 19.700 -8.236 -13.585 1.00 51.24 H new ATOM 0 HG3 LYS A 38 19.500 -9.812 -12.845 1.00 51.24 H new ATOM 0 HD2 LYS A 38 21.082 -10.401 -14.396 1.00 3.11 H new ATOM 0 HD3 LYS A 38 19.669 -10.620 -15.409 1.00 3.11 H new ATOM 0 HE2 LYS A 38 21.012 -9.291 -16.773 1.00 60.05 H new ATOM 0 HE3 LYS A 38 19.991 -8.087 -16.013 1.00 60.05 H new ATOM 0 HZ1 LYS A 38 22.306 -7.425 -15.969 1.00 12.20 H new ATOM 0 HZ2 LYS A 38 21.743 -7.668 -14.386 1.00 12.20 H new ATOM 0 HZ3 LYS A 38 22.733 -8.834 -15.123 1.00 12.20 H new ATOM 583 N GLU A 39 14.894 -8.705 -14.276 1.00 73.12 N ATOM 584 CA GLU A 39 13.737 -8.010 -14.829 1.00 3.22 C ATOM 585 C GLU A 39 12.884 -7.405 -13.718 1.00 34.43 C ATOM 586 O GLU A 39 12.242 -6.371 -13.905 1.00 51.20 O ATOM 587 CB GLU A 39 12.893 -8.968 -15.672 1.00 0.22 C ATOM 588 CG GLU A 39 11.908 -9.789 -14.857 1.00 14.51 C ATOM 589 CD GLU A 39 11.563 -11.110 -15.516 1.00 51.34 C ATOM 590 OE1 GLU A 39 12.115 -11.395 -16.600 1.00 11.44 O ATOM 591 OE2 GLU A 39 10.741 -11.859 -14.948 1.00 52.14 O ATOM 0 H GLU A 39 14.938 -9.698 -14.503 1.00 73.12 H new ATOM 0 HA GLU A 39 14.100 -7.203 -15.465 1.00 3.22 H new ATOM 0 HB2 GLU A 39 12.344 -8.394 -16.419 1.00 0.22 H new ATOM 0 HB3 GLU A 39 13.556 -9.643 -16.213 1.00 0.22 H new ATOM 0 HG2 GLU A 39 12.329 -9.979 -13.870 1.00 14.51 H new ATOM 0 HG3 GLU A 39 10.995 -9.212 -14.709 1.00 14.51 H new ATOM 598 N LEU A 40 12.880 -8.058 -12.561 1.00 25.42 N ATOM 599 CA LEU A 40 12.106 -7.587 -11.418 1.00 54.03 C ATOM 600 C LEU A 40 12.776 -6.383 -10.765 1.00 41.42 C ATOM 601 O LEU A 40 12.107 -5.439 -10.342 1.00 63.41 O ATOM 602 CB LEU A 40 11.937 -8.710 -10.393 1.00 4.41 C ATOM 603 CG LEU A 40 11.438 -10.048 -10.939 1.00 10.24 C ATOM 604 CD1 LEU A 40 11.201 -11.032 -9.804 1.00 23.22 C ATOM 605 CD2 LEU A 40 10.166 -9.851 -11.751 1.00 21.44 C ATOM 0 H LEU A 40 13.405 -8.916 -12.390 1.00 25.42 H new ATOM 0 HA LEU A 40 11.123 -7.281 -11.778 1.00 54.03 H new ATOM 0 HB2 LEU A 40 12.897 -8.875 -9.904 1.00 4.41 H new ATOM 0 HB3 LEU A 40 11.242 -8.372 -9.625 1.00 4.41 H new ATOM 0 HG LEU A 40 12.204 -10.460 -11.596 1.00 10.24 H new ATOM 0 HD11 LEU A 40 10.846 -11.979 -10.211 1.00 23.22 H new ATOM 0 HD12 LEU A 40 12.134 -11.196 -9.264 1.00 23.22 H new ATOM 0 HD13 LEU A 40 10.453 -10.627 -9.122 1.00 23.22 H new ATOM 0 HD21 LEU A 40 9.825 -10.814 -12.132 1.00 21.44 H new ATOM 0 HD22 LEU A 40 9.393 -9.417 -11.117 1.00 21.44 H new ATOM 0 HD23 LEU A 40 10.368 -9.181 -12.587 1.00 21.44 H new ATOM 617 N LYS A 41 14.102 -6.420 -10.688 1.00 41.23 N ATOM 618 CA LYS A 41 14.865 -5.331 -10.090 1.00 41.45 C ATOM 619 C LYS A 41 14.560 -4.007 -10.785 1.00 63.33 C ATOM 620 O LYS A 41 14.419 -2.971 -10.136 1.00 4.53 O ATOM 621 CB LYS A 41 16.364 -5.627 -10.170 1.00 64.01 C ATOM 622 CG LYS A 41 16.868 -6.522 -9.051 1.00 13.02 C ATOM 623 CD LYS A 41 18.193 -6.028 -8.495 1.00 72.11 C ATOM 624 CE LYS A 41 19.195 -7.163 -8.353 1.00 22.14 C ATOM 625 NZ LYS A 41 19.726 -7.604 -9.673 1.00 14.45 N ATOM 0 H LYS A 41 14.671 -7.193 -11.033 1.00 41.23 H new ATOM 0 HA LYS A 41 14.572 -5.248 -9.043 1.00 41.45 H new ATOM 0 HB2 LYS A 41 16.582 -6.099 -11.128 1.00 64.01 H new ATOM 0 HB3 LYS A 41 16.913 -4.686 -10.147 1.00 64.01 H new ATOM 0 HG2 LYS A 41 16.128 -6.558 -8.252 1.00 13.02 H new ATOM 0 HG3 LYS A 41 16.985 -7.540 -9.423 1.00 13.02 H new ATOM 0 HD2 LYS A 41 18.601 -5.261 -9.153 1.00 72.11 H new ATOM 0 HD3 LYS A 41 18.030 -5.561 -7.524 1.00 72.11 H new ATOM 0 HE2 LYS A 41 20.021 -6.841 -7.719 1.00 22.14 H new ATOM 0 HE3 LYS A 41 18.719 -8.007 -7.853 1.00 22.14 H new ATOM 0 HZ1 LYS A 41 20.405 -8.379 -9.533 1.00 14.45 H new ATOM 0 HZ2 LYS A 41 18.941 -7.936 -10.270 1.00 14.45 H new ATOM 0 HZ3 LYS A 41 20.202 -6.806 -10.140 1.00 14.45 H new ATOM 639 N THR A 42 14.458 -4.049 -12.110 1.00 71.41 N ATOM 640 CA THR A 42 14.169 -2.854 -12.893 1.00 23.32 C ATOM 641 C THR A 42 12.675 -2.554 -12.908 1.00 32.35 C ATOM 642 O THR A 42 12.257 -1.422 -12.666 1.00 62.21 O ATOM 643 CB THR A 42 14.667 -2.999 -14.343 1.00 73.14 C ATOM 644 OG1 THR A 42 13.978 -4.074 -14.992 1.00 64.13 O ATOM 645 CG2 THR A 42 16.166 -3.256 -14.378 1.00 52.54 C ATOM 0 H THR A 42 14.571 -4.898 -12.663 1.00 71.41 H new ATOM 0 HA THR A 42 14.697 -2.028 -12.416 1.00 23.32 H new ATOM 0 HB THR A 42 14.463 -2.066 -14.869 1.00 73.14 H new ATOM 0 HG1 THR A 42 14.299 -4.159 -15.914 1.00 64.13 H new ATOM 0 HG21 THR A 42 16.494 -3.355 -15.413 1.00 52.54 H new ATOM 0 HG22 THR A 42 16.689 -2.422 -13.909 1.00 52.54 H new ATOM 0 HG23 THR A 42 16.390 -4.175 -13.837 1.00 52.54 H new ATOM 653 N MET A 43 11.874 -3.576 -13.192 1.00 12.03 N ATOM 654 CA MET A 43 10.424 -3.421 -13.236 1.00 4.13 C ATOM 655 C MET A 43 9.900 -2.838 -11.927 1.00 60.02 C ATOM 656 O MET A 43 9.220 -1.813 -11.922 1.00 43.22 O ATOM 657 CB MET A 43 9.754 -4.768 -13.512 1.00 40.04 C ATOM 658 CG MET A 43 9.703 -5.130 -14.988 1.00 4.11 C ATOM 659 SD MET A 43 8.578 -6.497 -15.330 1.00 1.44 S ATOM 660 CE MET A 43 9.422 -7.298 -16.691 1.00 25.23 C ATOM 0 H MET A 43 12.204 -4.520 -13.395 1.00 12.03 H new ATOM 0 HA MET A 43 10.182 -2.731 -14.044 1.00 4.13 H new ATOM 0 HB2 MET A 43 10.291 -5.549 -12.973 1.00 40.04 H new ATOM 0 HB3 MET A 43 8.739 -4.748 -13.116 1.00 40.04 H new ATOM 0 HG2 MET A 43 9.392 -4.257 -15.562 1.00 4.11 H new ATOM 0 HG3 MET A 43 10.704 -5.395 -15.328 1.00 4.11 H new ATOM 0 HE1 MET A 43 8.763 -8.040 -17.142 1.00 25.23 H new ATOM 0 HE2 MET A 43 9.695 -6.553 -17.439 1.00 25.23 H new ATOM 0 HE3 MET A 43 10.323 -7.789 -16.322 1.00 25.23 H new ATOM 670 N ASN A 44 10.221 -3.499 -10.820 1.00 34.14 N ATOM 671 CA ASN A 44 9.781 -3.046 -9.505 1.00 34.31 C ATOM 672 C ASN A 44 10.137 -1.579 -9.288 1.00 12.23 C ATOM 673 O ASN A 44 9.336 -0.806 -8.763 1.00 35.32 O ATOM 674 CB ASN A 44 10.415 -3.904 -8.408 1.00 71.44 C ATOM 675 CG ASN A 44 9.757 -3.696 -7.058 1.00 71.00 C ATOM 676 OD1 ASN A 44 8.549 -3.879 -6.909 1.00 54.31 O ATOM 677 ND2 ASN A 44 10.551 -3.311 -6.066 1.00 64.30 N ATOM 0 H ASN A 44 10.784 -4.350 -10.807 1.00 34.14 H new ATOM 0 HA ASN A 44 8.697 -3.150 -9.457 1.00 34.31 H new ATOM 0 HB2 ASN A 44 10.343 -4.956 -8.686 1.00 71.44 H new ATOM 0 HB3 ASN A 44 11.476 -3.666 -8.332 1.00 71.44 H new ATOM 0 HD21 ASN A 44 10.165 -3.155 -5.135 1.00 64.30 H new ATOM 0 HD22 ASN A 44 11.547 -3.171 -6.235 1.00 64.30 H new ATOM 684 N ALA A 45 11.344 -1.202 -9.696 1.00 1.12 N ATOM 685 CA ALA A 45 11.806 0.173 -9.549 1.00 34.24 C ATOM 686 C ALA A 45 11.073 1.104 -10.509 1.00 63.31 C ATOM 687 O ALA A 45 10.929 2.297 -10.243 1.00 62.54 O ATOM 688 CB ALA A 45 13.308 0.252 -9.776 1.00 10.41 C ATOM 0 H ALA A 45 12.020 -1.830 -10.131 1.00 1.12 H new ATOM 0 HA ALA A 45 11.586 0.498 -8.532 1.00 34.24 H new ATOM 0 HB1 ALA A 45 13.639 1.284 -9.663 1.00 10.41 H new ATOM 0 HB2 ALA A 45 13.820 -0.375 -9.046 1.00 10.41 H new ATOM 0 HB3 ALA A 45 13.543 -0.096 -10.782 1.00 10.41 H new ATOM 694 N ALA A 46 10.613 0.550 -11.627 1.00 4.54 N ATOM 695 CA ALA A 46 9.895 1.331 -12.626 1.00 11.41 C ATOM 696 C ALA A 46 8.610 1.914 -12.047 1.00 42.53 C ATOM 697 O ALA A 46 8.324 3.101 -12.215 1.00 22.24 O ATOM 698 CB ALA A 46 9.586 0.473 -13.844 1.00 12.42 C ATOM 0 H ALA A 46 10.725 -0.436 -11.863 1.00 4.54 H new ATOM 0 HA ALA A 46 10.534 2.160 -12.932 1.00 11.41 H new ATOM 0 HB1 ALA A 46 9.049 1.069 -14.582 1.00 12.42 H new ATOM 0 HB2 ALA A 46 10.517 0.109 -14.279 1.00 12.42 H new ATOM 0 HB3 ALA A 46 8.970 -0.375 -13.545 1.00 12.42 H new ATOM 704 N LEU A 47 7.839 1.074 -11.367 1.00 75.01 N ATOM 705 CA LEU A 47 6.583 1.506 -10.764 1.00 14.13 C ATOM 706 C LEU A 47 6.807 2.690 -9.828 1.00 72.13 C ATOM 707 O LEU A 47 5.900 3.490 -9.596 1.00 43.43 O ATOM 708 CB LEU A 47 5.938 0.350 -9.997 1.00 2.25 C ATOM 709 CG LEU A 47 6.468 0.105 -8.583 1.00 74.11 C ATOM 710 CD1 LEU A 47 5.597 0.813 -7.557 1.00 32.33 C ATOM 711 CD2 LEU A 47 6.535 -1.387 -8.290 1.00 40.23 C ATOM 0 H LEU A 47 8.061 0.090 -11.219 1.00 75.01 H new ATOM 0 HA LEU A 47 5.914 1.821 -11.565 1.00 14.13 H new ATOM 0 HB2 LEU A 47 4.866 0.535 -9.935 1.00 2.25 H new ATOM 0 HB3 LEU A 47 6.071 -0.563 -10.577 1.00 2.25 H new ATOM 0 HG LEU A 47 7.476 0.514 -8.517 1.00 74.11 H new ATOM 0 HD11 LEU A 47 5.989 0.628 -6.557 1.00 32.33 H new ATOM 0 HD12 LEU A 47 5.600 1.885 -7.755 1.00 32.33 H new ATOM 0 HD13 LEU A 47 4.577 0.435 -7.623 1.00 32.33 H new ATOM 0 HD21 LEU A 47 6.914 -1.543 -7.280 1.00 40.23 H new ATOM 0 HD22 LEU A 47 5.538 -1.819 -8.374 1.00 40.23 H new ATOM 0 HD23 LEU A 47 7.201 -1.869 -9.006 1.00 40.23 H new ATOM 723 N ILE A 48 8.020 2.795 -9.296 1.00 53.42 N ATOM 724 CA ILE A 48 8.363 3.883 -8.389 1.00 44.42 C ATOM 725 C ILE A 48 8.506 5.202 -9.141 1.00 54.15 C ATOM 726 O ILE A 48 7.996 6.236 -8.708 1.00 31.52 O ATOM 727 CB ILE A 48 9.673 3.593 -7.633 1.00 1.14 C ATOM 728 CG1 ILE A 48 9.566 2.269 -6.873 1.00 42.21 C ATOM 729 CG2 ILE A 48 9.997 4.733 -6.678 1.00 64.24 C ATOM 730 CD1 ILE A 48 10.896 1.749 -6.375 1.00 4.45 C ATOM 0 H ILE A 48 8.781 2.140 -9.477 1.00 53.42 H new ATOM 0 HA ILE A 48 7.547 3.963 -7.670 1.00 44.42 H new ATOM 0 HB ILE A 48 10.483 3.510 -8.358 1.00 1.14 H new ATOM 0 HG12 ILE A 48 8.895 2.400 -6.024 1.00 42.21 H new ATOM 0 HG13 ILE A 48 9.113 1.521 -7.524 1.00 42.21 H new ATOM 0 HG21 ILE A 48 10.926 4.513 -6.151 1.00 64.24 H new ATOM 0 HG22 ILE A 48 10.110 5.659 -7.242 1.00 64.24 H new ATOM 0 HG23 ILE A 48 9.188 4.844 -5.956 1.00 64.24 H new ATOM 0 HD11 ILE A 48 10.744 0.808 -5.846 1.00 4.45 H new ATOM 0 HD12 ILE A 48 11.563 1.586 -7.222 1.00 4.45 H new ATOM 0 HD13 ILE A 48 11.341 2.478 -5.698 1.00 4.45 H new ATOM 742 N LYS A 49 9.201 5.159 -10.273 1.00 53.41 N ATOM 743 CA LYS A 49 9.408 6.350 -11.089 1.00 64.54 C ATOM 744 C LYS A 49 8.142 6.708 -11.860 1.00 50.41 C ATOM 745 O LYS A 49 7.684 7.851 -11.822 1.00 63.05 O ATOM 746 CB LYS A 49 10.566 6.128 -12.065 1.00 44.11 C ATOM 747 CG LYS A 49 11.933 6.397 -11.458 1.00 73.34 C ATOM 748 CD LYS A 49 12.362 5.272 -10.532 1.00 23.42 C ATOM 749 CE LYS A 49 13.817 5.420 -10.112 1.00 14.13 C ATOM 750 NZ LYS A 49 13.954 6.211 -8.857 1.00 74.13 N ATOM 0 H LYS A 49 9.630 4.312 -10.646 1.00 53.41 H new ATOM 0 HA LYS A 49 9.654 7.178 -10.424 1.00 64.54 H new ATOM 0 HB2 LYS A 49 10.534 5.100 -12.426 1.00 44.11 H new ATOM 0 HB3 LYS A 49 10.429 6.775 -12.932 1.00 44.11 H new ATOM 0 HG2 LYS A 49 12.669 6.515 -12.254 1.00 73.34 H new ATOM 0 HG3 LYS A 49 11.908 7.336 -10.905 1.00 73.34 H new ATOM 0 HD2 LYS A 49 11.726 5.265 -9.647 1.00 23.42 H new ATOM 0 HD3 LYS A 49 12.222 4.314 -11.033 1.00 23.42 H new ATOM 0 HE2 LYS A 49 14.256 4.433 -9.969 1.00 14.13 H new ATOM 0 HE3 LYS A 49 14.378 5.906 -10.911 1.00 14.13 H new ATOM 0 HZ1 LYS A 49 14.960 6.289 -8.604 1.00 74.13 H new ATOM 0 HZ2 LYS A 49 13.558 7.162 -9.001 1.00 74.13 H new ATOM 0 HZ3 LYS A 49 13.440 5.735 -8.089 1.00 74.13 H new ATOM 764 N ILE A 50 7.580 5.726 -12.557 1.00 3.15 N ATOM 765 CA ILE A 50 6.365 5.939 -13.333 1.00 64.14 C ATOM 766 C ILE A 50 5.153 6.103 -12.423 1.00 73.55 C ATOM 767 O ILE A 50 4.116 6.619 -12.840 1.00 25.15 O ATOM 768 CB ILE A 50 6.109 4.774 -14.307 1.00 72.14 C ATOM 769 CG1 ILE A 50 5.766 3.499 -13.533 1.00 53.44 C ATOM 770 CG2 ILE A 50 7.323 4.550 -15.196 1.00 72.45 C ATOM 771 CD1 ILE A 50 4.289 3.172 -13.533 1.00 31.14 C ATOM 0 H ILE A 50 7.947 4.775 -12.600 1.00 3.15 H new ATOM 0 HA ILE A 50 6.512 6.855 -13.905 1.00 64.14 H new ATOM 0 HB ILE A 50 5.261 5.030 -14.942 1.00 72.14 H new ATOM 0 HG12 ILE A 50 6.315 2.662 -13.965 1.00 53.44 H new ATOM 0 HG13 ILE A 50 6.106 3.606 -12.503 1.00 53.44 H new ATOM 0 HG21 ILE A 50 7.126 3.723 -15.879 1.00 72.45 H new ATOM 0 HG22 ILE A 50 7.526 5.454 -15.770 1.00 72.45 H new ATOM 0 HG23 ILE A 50 8.188 4.312 -14.577 1.00 72.45 H new ATOM 0 HD11 ILE A 50 4.119 2.257 -12.966 1.00 31.14 H new ATOM 0 HD12 ILE A 50 3.735 3.991 -13.074 1.00 31.14 H new ATOM 0 HD13 ILE A 50 3.947 3.033 -14.559 1.00 31.14 H new ATOM 783 N GLY A 51 5.291 5.660 -11.177 1.00 55.11 N ATOM 784 CA GLY A 51 4.199 5.768 -10.227 1.00 22.03 C ATOM 785 C GLY A 51 3.688 7.188 -10.090 1.00 11.42 C ATOM 786 O GLY A 51 2.533 7.406 -9.727 1.00 14.15 O ATOM 0 H GLY A 51 6.139 5.229 -10.809 1.00 55.11 H new ATOM 0 HA2 GLY A 51 3.381 5.120 -10.543 1.00 22.03 H new ATOM 0 HA3 GLY A 51 4.532 5.409 -9.253 1.00 22.03 H new ATOM 790 N GLU A 52 4.551 8.157 -10.380 1.00 10.00 N ATOM 791 CA GLU A 52 4.180 9.564 -10.284 1.00 73.14 C ATOM 792 C GLU A 52 4.048 10.187 -11.671 1.00 42.31 C ATOM 793 O GLU A 52 4.155 11.403 -11.830 1.00 45.31 O ATOM 794 CB GLU A 52 5.217 10.333 -9.464 1.00 13.44 C ATOM 795 CG GLU A 52 4.652 11.559 -8.765 1.00 23.23 C ATOM 796 CD GLU A 52 5.596 12.120 -7.719 1.00 12.22 C ATOM 797 OE1 GLU A 52 5.631 11.571 -6.597 1.00 45.44 O ATOM 798 OE2 GLU A 52 6.298 13.108 -8.021 1.00 33.41 O ATOM 0 H GLU A 52 5.511 7.993 -10.683 1.00 10.00 H new ATOM 0 HA GLU A 52 3.214 9.626 -9.783 1.00 73.14 H new ATOM 0 HB2 GLU A 52 5.646 9.665 -8.717 1.00 13.44 H new ATOM 0 HB3 GLU A 52 6.031 10.642 -10.120 1.00 13.44 H new ATOM 0 HG2 GLU A 52 4.438 12.329 -9.506 1.00 23.23 H new ATOM 0 HG3 GLU A 52 3.705 11.299 -8.292 1.00 23.23 H new ATOM 805 N VAL A 53 3.816 9.345 -12.673 1.00 34.34 N ATOM 806 CA VAL A 53 3.669 9.812 -14.046 1.00 71.30 C ATOM 807 C VAL A 53 2.593 10.887 -14.149 1.00 33.50 C ATOM 808 O VAL A 53 1.494 10.754 -13.608 1.00 45.43 O ATOM 809 CB VAL A 53 3.315 8.654 -14.998 1.00 31.52 C ATOM 810 CG1 VAL A 53 2.578 9.175 -16.222 1.00 60.42 C ATOM 811 CG2 VAL A 53 4.570 7.895 -15.403 1.00 52.22 C ATOM 0 H VAL A 53 3.726 8.335 -12.559 1.00 34.34 H new ATOM 0 HA VAL A 53 4.630 10.234 -14.341 1.00 71.30 H new ATOM 0 HB VAL A 53 2.654 7.964 -14.473 1.00 31.52 H new ATOM 0 HG11 VAL A 53 2.336 8.343 -16.883 1.00 60.42 H new ATOM 0 HG12 VAL A 53 1.658 9.669 -15.910 1.00 60.42 H new ATOM 0 HG13 VAL A 53 3.211 9.887 -16.752 1.00 60.42 H new ATOM 0 HG21 VAL A 53 4.301 7.080 -16.076 1.00 52.22 H new ATOM 0 HG22 VAL A 53 5.257 8.572 -15.910 1.00 52.22 H new ATOM 0 HG23 VAL A 53 5.052 7.488 -14.514 1.00 52.22 H new ATOM 821 N PRO A 54 2.913 11.978 -14.860 1.00 74.22 N ATOM 822 CA PRO A 54 1.986 13.097 -15.052 1.00 51.31 C ATOM 823 C PRO A 54 0.814 12.731 -15.957 1.00 1.33 C ATOM 824 O PRO A 54 0.812 11.695 -16.621 1.00 73.21 O ATOM 825 CB PRO A 54 2.857 14.169 -15.712 1.00 55.33 C ATOM 826 CG PRO A 54 3.944 13.409 -16.391 1.00 14.52 C ATOM 827 CD PRO A 54 4.203 12.203 -15.532 1.00 64.42 C ATOM 0 HA PRO A 54 1.531 13.415 -14.114 1.00 51.31 H new ATOM 0 HB2 PRO A 54 2.283 14.761 -16.425 1.00 55.33 H new ATOM 0 HB3 PRO A 54 3.260 14.862 -14.973 1.00 55.33 H new ATOM 0 HG2 PRO A 54 3.645 13.115 -17.397 1.00 14.52 H new ATOM 0 HG3 PRO A 54 4.843 14.018 -16.491 1.00 14.52 H new ATOM 0 HD2 PRO A 54 4.500 11.341 -16.129 1.00 64.42 H new ATOM 0 HD3 PRO A 54 5.003 12.385 -14.815 1.00 64.42 H new ATOM 835 N PRO A 55 -0.207 13.601 -15.985 1.00 63.01 N ATOM 836 CA PRO A 55 -1.403 13.391 -16.806 1.00 31.34 C ATOM 837 C PRO A 55 -1.115 13.529 -18.297 1.00 12.44 C ATOM 838 O PRO A 55 -1.943 13.171 -19.134 1.00 53.23 O ATOM 839 CB PRO A 55 -2.352 14.497 -16.339 1.00 52.31 C ATOM 840 CG PRO A 55 -1.458 15.565 -15.811 1.00 10.41 C ATOM 841 CD PRO A 55 -0.271 14.857 -15.219 1.00 33.22 C ATOM 0 HA PRO A 55 -1.807 12.386 -16.688 1.00 31.34 H new ATOM 0 HB2 PRO A 55 -2.966 14.865 -17.161 1.00 52.31 H new ATOM 0 HB3 PRO A 55 -3.034 14.135 -15.569 1.00 52.31 H new ATOM 0 HG2 PRO A 55 -1.150 16.245 -16.606 1.00 10.41 H new ATOM 0 HG3 PRO A 55 -1.969 16.165 -15.059 1.00 10.41 H new ATOM 0 HD2 PRO A 55 0.642 15.442 -15.329 1.00 33.22 H new ATOM 0 HD3 PRO A 55 -0.404 14.672 -14.153 1.00 33.22 H new ATOM 849 N ASP A 56 0.063 14.050 -18.621 1.00 11.51 N ATOM 850 CA ASP A 56 0.461 14.235 -20.012 1.00 34.13 C ATOM 851 C ASP A 56 0.612 12.890 -20.716 1.00 43.54 C ATOM 852 O ASP A 56 0.230 12.741 -21.877 1.00 0.34 O ATOM 853 CB ASP A 56 1.773 15.017 -20.090 1.00 30.42 C ATOM 854 CG ASP A 56 1.611 16.352 -20.788 1.00 55.41 C ATOM 855 OD1 ASP A 56 0.869 17.209 -20.264 1.00 14.01 O ATOM 856 OD2 ASP A 56 2.225 16.541 -21.859 1.00 73.02 O ATOM 0 H ASP A 56 0.759 14.352 -17.939 1.00 11.51 H new ATOM 0 HA ASP A 56 -0.321 14.803 -20.516 1.00 34.13 H new ATOM 0 HB2 ASP A 56 2.155 15.181 -19.082 1.00 30.42 H new ATOM 0 HB3 ASP A 56 2.517 14.421 -20.620 1.00 30.42 H new ATOM 861 N GLN A 57 1.173 11.916 -20.007 1.00 43.43 N ATOM 862 CA GLN A 57 1.377 10.585 -20.566 1.00 52.12 C ATOM 863 C GLN A 57 0.589 9.540 -19.783 1.00 62.24 C ATOM 864 O GLN A 57 0.846 8.340 -19.896 1.00 42.44 O ATOM 865 CB GLN A 57 2.864 10.229 -20.562 1.00 5.04 C ATOM 866 CG GLN A 57 3.574 10.596 -19.268 1.00 51.12 C ATOM 867 CD GLN A 57 4.439 11.833 -19.408 1.00 12.32 C ATOM 868 OE1 GLN A 57 3.937 12.932 -19.646 1.00 12.21 O ATOM 869 NE2 GLN A 57 5.747 11.661 -19.260 1.00 1.13 N ATOM 0 H GLN A 57 1.494 12.023 -19.045 1.00 43.43 H new ATOM 0 HA GLN A 57 1.016 10.591 -21.594 1.00 52.12 H new ATOM 0 HB2 GLN A 57 2.973 9.158 -20.736 1.00 5.04 H new ATOM 0 HB3 GLN A 57 3.353 10.738 -21.392 1.00 5.04 H new ATOM 0 HG2 GLN A 57 2.833 10.762 -18.486 1.00 51.12 H new ATOM 0 HG3 GLN A 57 4.194 9.758 -18.948 1.00 51.12 H new ATOM 0 HE21 GLN A 57 6.120 10.732 -19.063 1.00 1.13 H new ATOM 0 HE22 GLN A 57 6.379 12.458 -19.343 1.00 1.13 H new ATOM 878 N LEU A 58 -0.371 10.002 -18.990 1.00 24.44 N ATOM 879 CA LEU A 58 -1.197 9.106 -18.187 1.00 5.31 C ATOM 880 C LEU A 58 -2.312 8.494 -19.028 1.00 63.41 C ATOM 881 O LEU A 58 -3.214 9.195 -19.487 1.00 24.11 O ATOM 882 CB LEU A 58 -1.795 9.861 -16.998 1.00 64.22 C ATOM 883 CG LEU A 58 -2.672 9.038 -16.054 1.00 3.24 C ATOM 884 CD1 LEU A 58 -1.948 7.773 -15.620 1.00 32.23 C ATOM 885 CD2 LEU A 58 -3.074 9.867 -14.842 1.00 71.23 C ATOM 0 H LEU A 58 -0.597 10.991 -18.885 1.00 24.44 H new ATOM 0 HA LEU A 58 -0.563 8.301 -17.817 1.00 5.31 H new ATOM 0 HB2 LEU A 58 -0.978 10.293 -16.419 1.00 64.22 H new ATOM 0 HB3 LEU A 58 -2.388 10.691 -17.381 1.00 64.22 H new ATOM 0 HG LEU A 58 -3.577 8.749 -16.588 1.00 3.24 H new ATOM 0 HD11 LEU A 58 -2.587 7.200 -14.949 1.00 32.23 H new ATOM 0 HD12 LEU A 58 -1.710 7.171 -16.497 1.00 32.23 H new ATOM 0 HD13 LEU A 58 -1.026 8.040 -15.103 1.00 32.23 H new ATOM 0 HD21 LEU A 58 -3.698 9.266 -14.181 1.00 71.23 H new ATOM 0 HD22 LEU A 58 -2.180 10.186 -14.307 1.00 71.23 H new ATOM 0 HD23 LEU A 58 -3.633 10.744 -15.170 1.00 71.23 H new ATOM 897 N ASP A 59 -2.245 7.182 -19.225 1.00 24.44 N ATOM 898 CA ASP A 59 -3.250 6.473 -20.008 1.00 14.33 C ATOM 899 C ASP A 59 -3.965 5.428 -19.157 1.00 10.24 C ATOM 900 O ASP A 59 -3.524 5.104 -18.054 1.00 50.01 O ATOM 901 CB ASP A 59 -2.604 5.805 -21.222 1.00 73.13 C ATOM 902 CG ASP A 59 -3.582 5.609 -22.364 1.00 14.30 C ATOM 903 OD1 ASP A 59 -3.991 6.619 -22.975 1.00 53.01 O ATOM 904 OD2 ASP A 59 -3.938 4.446 -22.647 1.00 54.50 O ATOM 0 H ASP A 59 -1.504 6.587 -18.853 1.00 24.44 H new ATOM 0 HA ASP A 59 -3.986 7.200 -20.352 1.00 14.33 H new ATOM 0 HB2 ASP A 59 -1.767 6.413 -21.565 1.00 73.13 H new ATOM 0 HB3 ASP A 59 -2.196 4.838 -20.927 1.00 73.13 H new ATOM 909 N SER A 60 -5.071 4.905 -19.676 1.00 13.42 N ATOM 910 CA SER A 60 -5.850 3.901 -18.962 1.00 31.45 C ATOM 911 C SER A 60 -5.098 2.575 -18.897 1.00 62.12 C ATOM 912 O SER A 60 -5.306 1.775 -17.985 1.00 54.15 O ATOM 913 CB SER A 60 -7.206 3.698 -19.641 1.00 10.14 C ATOM 914 OG SER A 60 -7.060 3.574 -21.045 1.00 23.14 O ATOM 0 H SER A 60 -5.448 5.160 -20.589 1.00 13.42 H new ATOM 0 HA SER A 60 -6.011 4.258 -17.945 1.00 31.45 H new ATOM 0 HB2 SER A 60 -7.686 2.804 -19.242 1.00 10.14 H new ATOM 0 HB3 SER A 60 -7.860 4.540 -19.413 1.00 10.14 H new ATOM 0 HG SER A 60 -7.940 3.443 -21.455 1.00 23.14 H new ATOM 920 N GLN A 61 -4.223 2.351 -19.872 1.00 25.41 N ATOM 921 CA GLN A 61 -3.439 1.122 -19.927 1.00 34.21 C ATOM 922 C GLN A 61 -2.265 1.181 -18.956 1.00 21.03 C ATOM 923 O GLN A 61 -1.766 0.149 -18.506 1.00 42.24 O ATOM 924 CB GLN A 61 -2.929 0.880 -21.349 1.00 12.44 C ATOM 925 CG GLN A 61 -1.935 -0.265 -21.452 1.00 10.01 C ATOM 926 CD GLN A 61 -2.039 -1.012 -22.767 1.00 55.52 C ATOM 927 OE1 GLN A 61 -2.851 -1.927 -22.912 1.00 44.52 O ATOM 928 NE2 GLN A 61 -1.217 -0.624 -23.735 1.00 60.10 N ATOM 0 H GLN A 61 -4.039 3.004 -20.634 1.00 25.41 H new ATOM 0 HA GLN A 61 -4.086 0.295 -19.635 1.00 34.21 H new ATOM 0 HB2 GLN A 61 -3.778 0.673 -22.000 1.00 12.44 H new ATOM 0 HB3 GLN A 61 -2.460 1.792 -21.718 1.00 12.44 H new ATOM 0 HG2 GLN A 61 -0.924 0.126 -21.340 1.00 10.01 H new ATOM 0 HG3 GLN A 61 -2.101 -0.960 -20.629 1.00 10.01 H new ATOM 0 HE21 GLN A 61 -0.560 0.139 -23.571 1.00 60.10 H new ATOM 0 HE22 GLN A 61 -1.243 -1.089 -24.643 1.00 60.10 H new ATOM 937 N ASP A 62 -1.828 2.394 -18.636 1.00 54.35 N ATOM 938 CA ASP A 62 -0.713 2.588 -17.718 1.00 4.23 C ATOM 939 C ASP A 62 -0.938 1.820 -16.419 1.00 70.02 C ATOM 940 O ASP A 62 -0.010 1.231 -15.864 1.00 72.34 O ATOM 941 CB ASP A 62 -0.523 4.076 -17.418 1.00 53.13 C ATOM 942 CG ASP A 62 0.703 4.344 -16.568 1.00 15.14 C ATOM 943 OD1 ASP A 62 1.828 4.245 -17.100 1.00 20.40 O ATOM 944 OD2 ASP A 62 0.536 4.654 -15.370 1.00 5.34 O ATOM 0 H ASP A 62 -2.230 3.258 -18.999 1.00 54.35 H new ATOM 0 HA ASP A 62 0.188 2.204 -18.195 1.00 4.23 H new ATOM 0 HB2 ASP A 62 -0.438 4.625 -18.356 1.00 53.13 H new ATOM 0 HB3 ASP A 62 -1.407 4.456 -16.905 1.00 53.13 H new ATOM 949 N LYS A 63 -2.177 1.831 -15.938 1.00 43.45 N ATOM 950 CA LYS A 63 -2.526 1.136 -14.705 1.00 43.13 C ATOM 951 C LYS A 63 -2.550 -0.374 -14.920 1.00 44.20 C ATOM 952 O LYS A 63 -2.222 -1.145 -14.017 1.00 45.21 O ATOM 953 CB LYS A 63 -3.888 1.611 -14.196 1.00 55.10 C ATOM 954 CG LYS A 63 -3.817 2.872 -13.352 1.00 43.14 C ATOM 955 CD LYS A 63 -5.086 3.699 -13.476 1.00 21.52 C ATOM 956 CE LYS A 63 -5.334 4.530 -12.226 1.00 65.42 C ATOM 957 NZ LYS A 63 -6.666 5.193 -12.257 1.00 13.15 N ATOM 0 H LYS A 63 -2.957 2.314 -16.384 1.00 43.45 H new ATOM 0 HA LYS A 63 -1.766 1.367 -13.959 1.00 43.13 H new ATOM 0 HB2 LYS A 63 -4.542 1.791 -15.049 1.00 55.10 H new ATOM 0 HB3 LYS A 63 -4.344 0.815 -13.607 1.00 55.10 H new ATOM 0 HG2 LYS A 63 -3.657 2.603 -12.308 1.00 43.14 H new ATOM 0 HG3 LYS A 63 -2.960 3.470 -13.662 1.00 43.14 H new ATOM 0 HD2 LYS A 63 -5.010 4.356 -14.342 1.00 21.52 H new ATOM 0 HD3 LYS A 63 -5.936 3.039 -13.650 1.00 21.52 H new ATOM 0 HE2 LYS A 63 -5.267 3.891 -11.346 1.00 65.42 H new ATOM 0 HE3 LYS A 63 -4.554 5.286 -12.132 1.00 65.42 H new ATOM 0 HZ1 LYS A 63 -6.797 5.749 -11.388 1.00 13.15 H new ATOM 0 HZ2 LYS A 63 -6.721 5.822 -13.083 1.00 13.15 H new ATOM 0 HZ3 LYS A 63 -7.412 4.471 -12.321 1.00 13.15 H new ATOM 971 N LEU A 64 -2.938 -0.790 -16.120 1.00 51.13 N ATOM 972 CA LEU A 64 -3.003 -2.209 -16.454 1.00 40.42 C ATOM 973 C LEU A 64 -1.613 -2.837 -16.433 1.00 74.10 C ATOM 974 O LEU A 64 -1.469 -4.039 -16.212 1.00 63.41 O ATOM 975 CB LEU A 64 -3.641 -2.400 -17.831 1.00 42.24 C ATOM 976 CG LEU A 64 -5.021 -1.771 -18.025 1.00 32.31 C ATOM 977 CD1 LEU A 64 -5.584 -2.129 -19.392 1.00 4.30 C ATOM 978 CD2 LEU A 64 -5.970 -2.218 -16.922 1.00 71.44 C ATOM 0 H LEU A 64 -3.212 -0.165 -16.878 1.00 51.13 H new ATOM 0 HA LEU A 64 -3.618 -2.706 -15.704 1.00 40.42 H new ATOM 0 HB2 LEU A 64 -2.967 -1.987 -18.582 1.00 42.24 H new ATOM 0 HB3 LEU A 64 -3.720 -3.469 -18.027 1.00 42.24 H new ATOM 0 HG LEU A 64 -4.916 -0.687 -17.971 1.00 32.31 H new ATOM 0 HD11 LEU A 64 -6.567 -1.672 -19.512 1.00 4.30 H new ATOM 0 HD12 LEU A 64 -4.915 -1.760 -20.169 1.00 4.30 H new ATOM 0 HD13 LEU A 64 -5.675 -3.212 -19.476 1.00 4.30 H new ATOM 0 HD21 LEU A 64 -6.948 -1.761 -17.076 1.00 71.44 H new ATOM 0 HD22 LEU A 64 -6.069 -3.303 -16.945 1.00 71.44 H new ATOM 0 HD23 LEU A 64 -5.574 -1.910 -15.954 1.00 71.44 H new ATOM 990 N TRP A 65 -0.595 -2.016 -16.662 1.00 11.10 N ATOM 991 CA TRP A 65 0.784 -2.491 -16.667 1.00 32.51 C ATOM 992 C TRP A 65 1.110 -3.227 -15.372 1.00 64.42 C ATOM 993 O TRP A 65 1.903 -4.169 -15.366 1.00 35.22 O ATOM 994 CB TRP A 65 1.748 -1.320 -16.859 1.00 42.05 C ATOM 995 CG TRP A 65 3.188 -1.705 -16.704 1.00 4.52 C ATOM 996 CD1 TRP A 65 3.919 -2.500 -17.540 1.00 3.34 C ATOM 997 CD2 TRP A 65 4.071 -1.312 -15.647 1.00 12.21 C ATOM 998 NE1 TRP A 65 5.203 -2.625 -17.066 1.00 21.12 N ATOM 999 CE2 TRP A 65 5.322 -1.905 -15.907 1.00 32.25 C ATOM 1000 CE3 TRP A 65 3.927 -0.515 -14.508 1.00 33.32 C ATOM 1001 CZ2 TRP A 65 6.418 -1.727 -15.067 1.00 44.44 C ATOM 1002 CZ3 TRP A 65 5.016 -0.339 -13.676 1.00 30.41 C ATOM 1003 CH2 TRP A 65 6.249 -0.942 -13.959 1.00 51.13 C ATOM 0 H TRP A 65 -0.698 -1.018 -16.847 1.00 11.10 H new ATOM 0 HA TRP A 65 0.900 -3.187 -17.498 1.00 32.51 H new ATOM 0 HB2 TRP A 65 1.598 -0.894 -17.851 1.00 42.05 H new ATOM 0 HB3 TRP A 65 1.508 -0.539 -16.137 1.00 42.05 H new ATOM 0 HD1 TRP A 65 3.543 -2.962 -18.441 1.00 3.34 H new ATOM 0 HE1 TRP A 65 5.947 -3.166 -17.506 1.00 21.12 H new ATOM 0 HE3 TRP A 65 2.981 -0.045 -14.282 1.00 33.32 H new ATOM 0 HZ2 TRP A 65 7.369 -2.192 -15.282 1.00 44.44 H new ATOM 0 HZ3 TRP A 65 4.915 0.274 -12.792 1.00 30.41 H new ATOM 0 HH2 TRP A 65 7.082 -0.784 -13.290 1.00 51.13 H new ATOM 1014 N ALA A 66 0.495 -2.792 -14.278 1.00 2.14 N ATOM 1015 CA ALA A 66 0.720 -3.412 -12.977 1.00 54.45 C ATOM 1016 C ALA A 66 0.392 -4.900 -13.015 1.00 34.40 C ATOM 1017 O ALA A 66 0.972 -5.692 -12.272 1.00 70.44 O ATOM 1018 CB ALA A 66 -0.110 -2.713 -11.910 1.00 24.32 C ATOM 0 H ALA A 66 -0.163 -2.013 -14.266 1.00 2.14 H new ATOM 0 HA ALA A 66 1.776 -3.306 -12.728 1.00 54.45 H new ATOM 0 HB1 ALA A 66 0.067 -3.185 -10.944 1.00 24.32 H new ATOM 0 HB2 ALA A 66 0.175 -1.662 -11.858 1.00 24.32 H new ATOM 0 HB3 ALA A 66 -1.167 -2.790 -12.163 1.00 24.32 H new ATOM 1024 N ASP A 67 -0.542 -5.274 -13.883 1.00 42.12 N ATOM 1025 CA ASP A 67 -0.947 -6.668 -14.018 1.00 21.45 C ATOM 1026 C ASP A 67 0.115 -7.474 -14.760 1.00 1.42 C ATOM 1027 O ASP A 67 0.408 -8.613 -14.399 1.00 2.24 O ATOM 1028 CB ASP A 67 -2.284 -6.765 -14.753 1.00 54.42 C ATOM 1029 CG ASP A 67 -2.739 -8.198 -14.942 1.00 73.43 C ATOM 1030 OD1 ASP A 67 -2.684 -8.972 -13.964 1.00 11.14 O ATOM 1031 OD2 ASP A 67 -3.150 -8.547 -16.069 1.00 63.32 O ATOM 0 H ASP A 67 -1.033 -4.631 -14.504 1.00 42.12 H new ATOM 0 HA ASP A 67 -1.061 -7.085 -13.017 1.00 21.45 H new ATOM 0 HB2 ASP A 67 -3.043 -6.217 -14.194 1.00 54.42 H new ATOM 0 HB3 ASP A 67 -2.195 -6.284 -15.727 1.00 54.42 H new ATOM 1036 N GLU A 68 0.687 -6.873 -15.799 1.00 74.43 N ATOM 1037 CA GLU A 68 1.715 -7.536 -16.593 1.00 75.51 C ATOM 1038 C GLU A 68 2.865 -8.009 -15.708 1.00 74.15 C ATOM 1039 O GLU A 68 3.438 -9.075 -15.933 1.00 41.03 O ATOM 1040 CB GLU A 68 2.243 -6.592 -17.675 1.00 23.14 C ATOM 1041 CG GLU A 68 1.153 -6.003 -18.554 1.00 43.30 C ATOM 1042 CD GLU A 68 1.690 -5.462 -19.865 1.00 61.53 C ATOM 1043 OE1 GLU A 68 2.164 -6.270 -20.691 1.00 21.41 O ATOM 1044 OE2 GLU A 68 1.636 -4.231 -20.065 1.00 54.14 O ATOM 0 H GLU A 68 0.456 -5.929 -16.110 1.00 74.43 H new ATOM 0 HA GLU A 68 1.265 -8.407 -17.070 1.00 75.51 H new ATOM 0 HB2 GLU A 68 2.793 -5.780 -17.200 1.00 23.14 H new ATOM 0 HB3 GLU A 68 2.952 -7.133 -18.303 1.00 23.14 H new ATOM 0 HG2 GLU A 68 0.405 -6.768 -18.760 1.00 43.30 H new ATOM 0 HG3 GLU A 68 0.649 -5.202 -18.014 1.00 43.30 H new ATOM 1051 N VAL A 69 3.197 -7.208 -14.701 1.00 51.54 N ATOM 1052 CA VAL A 69 4.278 -7.543 -13.782 1.00 53.21 C ATOM 1053 C VAL A 69 3.851 -8.634 -12.807 1.00 11.03 C ATOM 1054 O VAL A 69 4.658 -9.474 -12.407 1.00 13.40 O ATOM 1055 CB VAL A 69 4.739 -6.309 -12.985 1.00 3.54 C ATOM 1056 CG1 VAL A 69 5.955 -6.646 -12.135 1.00 44.53 C ATOM 1057 CG2 VAL A 69 5.039 -5.150 -13.923 1.00 51.43 C ATOM 0 H VAL A 69 2.733 -6.322 -14.501 1.00 51.54 H new ATOM 0 HA VAL A 69 5.108 -7.906 -14.388 1.00 53.21 H new ATOM 0 HB VAL A 69 3.932 -6.007 -12.318 1.00 3.54 H new ATOM 0 HG11 VAL A 69 6.267 -5.762 -11.579 1.00 44.53 H new ATOM 0 HG12 VAL A 69 5.701 -7.443 -11.436 1.00 44.53 H new ATOM 0 HG13 VAL A 69 6.770 -6.975 -12.780 1.00 44.53 H new ATOM 0 HG21 VAL A 69 5.363 -4.287 -13.342 1.00 51.43 H new ATOM 0 HG22 VAL A 69 5.829 -5.438 -14.617 1.00 51.43 H new ATOM 0 HG23 VAL A 69 4.140 -4.893 -14.483 1.00 51.43 H new ATOM 1067 N ARG A 70 2.577 -8.616 -12.428 1.00 22.13 N ATOM 1068 CA ARG A 70 2.043 -9.604 -11.498 1.00 52.12 C ATOM 1069 C ARG A 70 1.995 -10.986 -12.142 1.00 62.51 C ATOM 1070 O ARG A 70 2.494 -11.960 -11.580 1.00 25.41 O ATOM 1071 CB ARG A 70 0.642 -9.196 -11.037 1.00 24.12 C ATOM 1072 CG ARG A 70 0.642 -8.082 -10.003 1.00 42.20 C ATOM 1073 CD ARG A 70 0.876 -8.622 -8.601 1.00 71.51 C ATOM 1074 NE ARG A 70 -0.259 -9.405 -8.120 1.00 73.20 N ATOM 1075 CZ ARG A 70 -0.176 -10.292 -7.135 1.00 24.32 C ATOM 1076 NH1 ARG A 70 0.984 -10.508 -6.529 1.00 50.21 N ATOM 1077 NH2 ARG A 70 -1.253 -10.966 -6.753 1.00 54.34 N ATOM 0 H ARG A 70 1.896 -7.929 -12.750 1.00 22.13 H new ATOM 0 HA ARG A 70 2.705 -9.648 -10.633 1.00 52.12 H new ATOM 0 HB2 ARG A 70 0.062 -8.876 -11.903 1.00 24.12 H new ATOM 0 HB3 ARG A 70 0.138 -10.068 -10.620 1.00 24.12 H new ATOM 0 HG2 ARG A 70 1.418 -7.356 -10.249 1.00 42.20 H new ATOM 0 HG3 ARG A 70 -0.311 -7.554 -10.036 1.00 42.20 H new ATOM 0 HD2 ARG A 70 1.772 -9.242 -8.596 1.00 71.51 H new ATOM 0 HD3 ARG A 70 1.059 -7.792 -7.919 1.00 71.51 H new ATOM 0 HE ARG A 70 -1.166 -9.263 -8.565 1.00 73.20 H new ATOM 0 HH11 ARG A 70 1.815 -9.992 -6.819 1.00 50.21 H new ATOM 0 HH12 ARG A 70 1.045 -11.190 -5.773 1.00 50.21 H new ATOM 0 HH21 ARG A 70 -2.147 -10.803 -7.216 1.00 54.34 H new ATOM 0 HH22 ARG A 70 -1.187 -11.647 -5.996 1.00 54.34 H new ATOM 1091 N GLU A 71 1.391 -11.063 -13.324 1.00 10.12 N ATOM 1092 CA GLU A 71 1.277 -12.327 -14.043 1.00 4.54 C ATOM 1093 C GLU A 71 2.647 -12.974 -14.224 1.00 43.04 C ATOM 1094 O GLU A 71 2.772 -14.199 -14.229 1.00 32.53 O ATOM 1095 CB GLU A 71 0.621 -12.106 -15.407 1.00 14.52 C ATOM 1096 CG GLU A 71 1.360 -11.109 -16.284 1.00 14.01 C ATOM 1097 CD GLU A 71 0.673 -10.883 -17.617 1.00 32.51 C ATOM 1098 OE1 GLU A 71 -0.436 -10.309 -17.622 1.00 74.54 O ATOM 1099 OE2 GLU A 71 1.244 -11.281 -18.654 1.00 13.21 O ATOM 0 H GLU A 71 0.973 -10.266 -13.804 1.00 10.12 H new ATOM 0 HA GLU A 71 0.652 -12.997 -13.452 1.00 4.54 H new ATOM 0 HB2 GLU A 71 0.559 -13.060 -15.930 1.00 14.52 H new ATOM 0 HB3 GLU A 71 -0.401 -11.758 -15.257 1.00 14.52 H new ATOM 0 HG2 GLU A 71 1.443 -10.159 -15.757 1.00 14.01 H new ATOM 0 HG3 GLU A 71 2.375 -11.467 -16.459 1.00 14.01 H new ATOM 1106 N LEU A 72 3.673 -12.143 -14.375 1.00 15.22 N ATOM 1107 CA LEU A 72 5.034 -12.633 -14.558 1.00 3.13 C ATOM 1108 C LEU A 72 5.542 -13.316 -13.292 1.00 32.20 C ATOM 1109 O LEU A 72 6.387 -14.209 -13.353 1.00 34.42 O ATOM 1110 CB LEU A 72 5.966 -11.480 -14.937 1.00 74.10 C ATOM 1111 CG LEU A 72 6.464 -11.468 -16.382 1.00 42.15 C ATOM 1112 CD1 LEU A 72 7.453 -12.599 -16.615 1.00 63.45 C ATOM 1113 CD2 LEU A 72 5.295 -11.571 -17.351 1.00 30.21 C ATOM 0 H LEU A 72 3.588 -11.127 -14.374 1.00 15.22 H new ATOM 0 HA LEU A 72 5.024 -13.365 -15.365 1.00 3.13 H new ATOM 0 HB2 LEU A 72 5.447 -10.541 -14.745 1.00 74.10 H new ATOM 0 HB3 LEU A 72 6.832 -11.507 -14.275 1.00 74.10 H new ATOM 0 HG LEU A 72 6.976 -10.522 -16.561 1.00 42.15 H new ATOM 0 HD11 LEU A 72 7.797 -12.575 -17.649 1.00 63.45 H new ATOM 0 HD12 LEU A 72 8.306 -12.480 -15.946 1.00 63.45 H new ATOM 0 HD13 LEU A 72 6.967 -13.554 -16.417 1.00 63.45 H new ATOM 0 HD21 LEU A 72 5.669 -11.561 -18.375 1.00 30.21 H new ATOM 0 HD22 LEU A 72 4.754 -12.500 -17.171 1.00 30.21 H new ATOM 0 HD23 LEU A 72 4.623 -10.726 -17.202 1.00 30.21 H new ATOM 1125 N SER A 73 5.019 -12.891 -12.146 1.00 71.41 N ATOM 1126 CA SER A 73 5.420 -13.461 -10.865 1.00 60.21 C ATOM 1127 C SER A 73 5.223 -14.974 -10.858 1.00 32.01 C ATOM 1128 O SER A 73 5.988 -15.708 -10.232 1.00 34.13 O ATOM 1129 CB SER A 73 4.619 -12.826 -9.727 1.00 41.41 C ATOM 1130 OG SER A 73 3.375 -13.480 -9.552 1.00 34.23 O ATOM 0 H SER A 73 4.317 -12.154 -12.079 1.00 71.41 H new ATOM 0 HA SER A 73 6.479 -13.249 -10.717 1.00 60.21 H new ATOM 0 HB2 SER A 73 5.193 -12.876 -8.802 1.00 41.41 H new ATOM 0 HB3 SER A 73 4.451 -11.770 -9.941 1.00 41.41 H new ATOM 0 HG SER A 73 2.729 -13.134 -10.203 1.00 34.23 H new ATOM 1136 N TYR A 74 4.192 -15.433 -11.558 1.00 53.03 N ATOM 1137 CA TYR A 74 3.891 -16.858 -11.631 1.00 40.15 C ATOM 1138 C TYR A 74 5.117 -17.651 -12.073 1.00 71.41 C ATOM 1139 O TYR A 74 5.399 -18.726 -11.544 1.00 20.51 O ATOM 1140 CB TYR A 74 2.733 -17.107 -12.599 1.00 33.01 C ATOM 1141 CG TYR A 74 1.380 -17.153 -11.925 1.00 10.31 C ATOM 1142 CD1 TYR A 74 1.041 -16.231 -10.942 1.00 34.54 C ATOM 1143 CD2 TYR A 74 0.442 -18.117 -12.270 1.00 72.44 C ATOM 1144 CE1 TYR A 74 -0.194 -16.270 -10.322 1.00 42.45 C ATOM 1145 CE2 TYR A 74 -0.795 -18.162 -11.658 1.00 35.22 C ATOM 1146 CZ TYR A 74 -1.108 -17.237 -10.684 1.00 55.53 C ATOM 1147 OH TYR A 74 -2.339 -17.279 -10.071 1.00 14.34 O ATOM 0 H TYR A 74 3.550 -14.839 -12.083 1.00 53.03 H new ATOM 0 HA TYR A 74 3.602 -17.194 -10.635 1.00 40.15 H new ATOM 0 HB2 TYR A 74 2.727 -16.321 -13.355 1.00 33.01 H new ATOM 0 HB3 TYR A 74 2.902 -18.049 -13.120 1.00 33.01 H new ATOM 0 HD1 TYR A 74 1.754 -15.471 -10.658 1.00 34.54 H new ATOM 0 HD2 TYR A 74 0.684 -18.845 -13.031 1.00 72.44 H new ATOM 0 HE1 TYR A 74 -0.442 -15.547 -9.559 1.00 42.45 H new ATOM 0 HE2 TYR A 74 -1.513 -18.917 -11.940 1.00 35.22 H new ATOM 0 HH TYR A 74 -2.864 -18.019 -10.442 1.00 14.34 H new ATOM 1157 N VAL A 75 5.843 -17.112 -13.047 1.00 63.32 N ATOM 1158 CA VAL A 75 7.040 -17.767 -13.560 1.00 64.54 C ATOM 1159 C VAL A 75 8.101 -17.904 -12.474 1.00 10.34 C ATOM 1160 O VAL A 75 8.923 -18.820 -12.506 1.00 31.11 O ATOM 1161 CB VAL A 75 7.637 -16.993 -14.751 1.00 24.43 C ATOM 1162 CG1 VAL A 75 8.778 -17.779 -15.381 1.00 13.44 C ATOM 1163 CG2 VAL A 75 6.560 -16.685 -15.779 1.00 52.41 C ATOM 0 H VAL A 75 5.623 -16.223 -13.497 1.00 63.32 H new ATOM 0 HA VAL A 75 6.738 -18.759 -13.895 1.00 64.54 H new ATOM 0 HB VAL A 75 8.038 -16.048 -14.384 1.00 24.43 H new ATOM 0 HG11 VAL A 75 9.187 -17.217 -16.220 1.00 13.44 H new ATOM 0 HG12 VAL A 75 9.559 -17.944 -14.639 1.00 13.44 H new ATOM 0 HG13 VAL A 75 8.406 -18.740 -15.735 1.00 13.44 H new ATOM 0 HG21 VAL A 75 6.999 -16.138 -16.613 1.00 52.41 H new ATOM 0 HG22 VAL A 75 6.128 -17.617 -16.143 1.00 52.41 H new ATOM 0 HG23 VAL A 75 5.780 -16.079 -15.318 1.00 52.41 H new ATOM 1173 N ILE A 76 8.076 -16.987 -11.512 1.00 43.24 N ATOM 1174 CA ILE A 76 9.035 -17.006 -10.414 1.00 52.35 C ATOM 1175 C ILE A 76 8.869 -18.259 -9.562 1.00 10.15 C ATOM 1176 O ILE A 76 9.835 -18.764 -8.990 1.00 75.54 O ATOM 1177 CB ILE A 76 8.887 -15.764 -9.516 1.00 55.41 C ATOM 1178 CG1 ILE A 76 8.928 -14.489 -10.361 1.00 13.52 C ATOM 1179 CG2 ILE A 76 9.980 -15.741 -8.459 1.00 44.20 C ATOM 1180 CD1 ILE A 76 8.786 -13.221 -9.548 1.00 52.42 C ATOM 0 H ILE A 76 7.402 -16.222 -11.471 1.00 43.24 H new ATOM 0 HA ILE A 76 10.029 -17.003 -10.862 1.00 52.35 H new ATOM 0 HB ILE A 76 7.922 -15.812 -9.011 1.00 55.41 H new ATOM 0 HG12 ILE A 76 9.870 -14.456 -10.909 1.00 13.52 H new ATOM 0 HG13 ILE A 76 8.129 -14.528 -11.102 1.00 13.52 H new ATOM 0 HG21 ILE A 76 9.862 -14.857 -7.832 1.00 44.20 H new ATOM 0 HG22 ILE A 76 9.908 -16.636 -7.841 1.00 44.20 H new ATOM 0 HG23 ILE A 76 10.955 -15.713 -8.945 1.00 44.20 H new ATOM 0 HD11 ILE A 76 8.824 -12.357 -10.212 1.00 52.42 H new ATOM 0 HD12 ILE A 76 7.832 -13.232 -9.021 1.00 52.42 H new ATOM 0 HD13 ILE A 76 9.600 -13.159 -8.825 1.00 52.42 H new ATOM 1192 N GLU A 77 7.638 -18.755 -9.482 1.00 24.42 N ATOM 1193 CA GLU A 77 7.347 -19.951 -8.699 1.00 51.31 C ATOM 1194 C GLU A 77 8.286 -21.092 -9.079 1.00 75.22 C ATOM 1195 O GLU A 77 8.678 -21.895 -8.233 1.00 32.54 O ATOM 1196 CB GLU A 77 5.893 -20.381 -8.906 1.00 41.21 C ATOM 1197 CG GLU A 77 5.292 -21.091 -7.705 1.00 72.52 C ATOM 1198 CD GLU A 77 5.212 -20.201 -6.480 1.00 65.41 C ATOM 1199 OE1 GLU A 77 4.960 -18.989 -6.644 1.00 20.24 O ATOM 1200 OE2 GLU A 77 5.403 -20.716 -5.359 1.00 31.34 O ATOM 0 H GLU A 77 6.827 -18.348 -9.949 1.00 24.42 H new ATOM 0 HA GLU A 77 7.501 -19.712 -7.647 1.00 51.31 H new ATOM 0 HB2 GLU A 77 5.292 -19.501 -9.136 1.00 41.21 H new ATOM 0 HB3 GLU A 77 5.838 -21.040 -9.772 1.00 41.21 H new ATOM 0 HG2 GLU A 77 4.292 -21.444 -7.959 1.00 72.52 H new ATOM 0 HG3 GLU A 77 5.891 -21.971 -7.471 1.00 72.52 H new ATOM 1207 N ASP A 78 8.641 -21.157 -10.358 1.00 32.25 N ATOM 1208 CA ASP A 78 9.534 -22.199 -10.851 1.00 34.41 C ATOM 1209 C ASP A 78 10.821 -22.243 -10.034 1.00 64.24 C ATOM 1210 O ASP A 78 11.299 -23.316 -9.667 1.00 61.34 O ATOM 1211 CB ASP A 78 9.859 -21.965 -12.327 1.00 73.50 C ATOM 1212 CG ASP A 78 8.761 -22.462 -13.247 1.00 61.14 C ATOM 1213 OD1 ASP A 78 8.333 -23.625 -13.088 1.00 10.55 O ATOM 1214 OD2 ASP A 78 8.330 -21.688 -14.127 1.00 35.01 O ATOM 0 H ASP A 78 8.324 -20.501 -11.072 1.00 32.25 H new ATOM 0 HA ASP A 78 9.026 -23.158 -10.747 1.00 34.41 H new ATOM 0 HB2 ASP A 78 10.017 -20.900 -12.497 1.00 73.50 H new ATOM 0 HB3 ASP A 78 10.793 -22.469 -12.575 1.00 73.50 H new ATOM 1219 N ALA A 79 11.379 -21.070 -9.755 1.00 12.44 N ATOM 1220 CA ALA A 79 12.611 -20.974 -8.981 1.00 55.00 C ATOM 1221 C ALA A 79 12.436 -21.582 -7.594 1.00 21.44 C ATOM 1222 O ALA A 79 13.213 -22.443 -7.180 1.00 4.43 O ATOM 1223 CB ALA A 79 13.053 -19.522 -8.871 1.00 63.50 C ATOM 0 H ALA A 79 10.998 -20.172 -10.053 1.00 12.44 H new ATOM 0 HA ALA A 79 13.384 -21.539 -9.502 1.00 55.00 H new ATOM 0 HB1 ALA A 79 13.974 -19.465 -8.291 1.00 63.50 H new ATOM 0 HB2 ALA A 79 13.227 -19.118 -9.868 1.00 63.50 H new ATOM 0 HB3 ALA A 79 12.275 -18.941 -8.375 1.00 63.50 H new ATOM 1229 N VAL A 80 11.411 -21.130 -6.879 1.00 10.34 N ATOM 1230 CA VAL A 80 11.134 -21.630 -5.537 1.00 43.03 C ATOM 1231 C VAL A 80 10.988 -23.147 -5.536 1.00 62.51 C ATOM 1232 O VAL A 80 11.310 -23.812 -4.550 1.00 53.45 O ATOM 1233 CB VAL A 80 9.854 -21.001 -4.957 1.00 35.41 C ATOM 1234 CG1 VAL A 80 9.556 -21.572 -3.579 1.00 12.24 C ATOM 1235 CG2 VAL A 80 9.983 -19.487 -4.900 1.00 14.23 C ATOM 0 H VAL A 80 10.758 -20.418 -7.207 1.00 10.34 H new ATOM 0 HA VAL A 80 11.982 -21.349 -4.913 1.00 43.03 H new ATOM 0 HB VAL A 80 9.019 -21.246 -5.614 1.00 35.41 H new ATOM 0 HG11 VAL A 80 8.648 -21.116 -3.185 1.00 12.24 H new ATOM 0 HG12 VAL A 80 9.417 -22.650 -3.654 1.00 12.24 H new ATOM 0 HG13 VAL A 80 10.389 -21.359 -2.909 1.00 12.24 H new ATOM 0 HG21 VAL A 80 9.069 -19.059 -4.488 1.00 14.23 H new ATOM 0 HG22 VAL A 80 10.828 -19.217 -4.266 1.00 14.23 H new ATOM 0 HG23 VAL A 80 10.144 -19.097 -5.905 1.00 14.23 H new ATOM 1245 N ASP A 81 10.502 -23.690 -6.647 1.00 32.33 N ATOM 1246 CA ASP A 81 10.314 -25.131 -6.775 1.00 42.31 C ATOM 1247 C ASP A 81 11.657 -25.846 -6.882 1.00 63.24 C ATOM 1248 O ASP A 81 11.787 -27.008 -6.497 1.00 75.55 O ATOM 1249 CB ASP A 81 9.454 -25.447 -8.000 1.00 23.43 C ATOM 1250 CG ASP A 81 9.529 -26.909 -8.397 1.00 54.40 C ATOM 1251 OD1 ASP A 81 9.143 -27.767 -7.576 1.00 53.42 O ATOM 1252 OD2 ASP A 81 9.974 -27.194 -9.529 1.00 34.23 O ATOM 0 H ASP A 81 10.231 -23.154 -7.472 1.00 32.33 H new ATOM 0 HA ASP A 81 9.803 -25.488 -5.881 1.00 42.31 H new ATOM 0 HB2 ASP A 81 8.417 -25.183 -7.791 1.00 23.43 H new ATOM 0 HB3 ASP A 81 9.778 -24.829 -8.837 1.00 23.43 H new ATOM 1257 N LYS A 82 12.655 -25.145 -7.409 1.00 41.51 N ATOM 1258 CA LYS A 82 13.989 -25.711 -7.568 1.00 22.13 C ATOM 1259 C LYS A 82 14.518 -26.239 -6.238 1.00 34.51 C ATOM 1260 O LYS A 82 15.187 -27.272 -6.191 1.00 12.25 O ATOM 1261 CB LYS A 82 14.949 -24.659 -8.128 1.00 61.22 C ATOM 1262 CG LYS A 82 14.503 -24.075 -9.457 1.00 73.35 C ATOM 1263 CD LYS A 82 14.333 -25.156 -10.512 1.00 55.21 C ATOM 1264 CE LYS A 82 14.252 -24.562 -11.910 1.00 61.32 C ATOM 1265 NZ LYS A 82 13.898 -25.589 -12.929 1.00 50.01 N ATOM 0 H LYS A 82 12.565 -24.182 -7.734 1.00 41.51 H new ATOM 0 HA LYS A 82 13.922 -26.543 -8.269 1.00 22.13 H new ATOM 0 HB2 LYS A 82 15.054 -23.852 -7.403 1.00 61.22 H new ATOM 0 HB3 LYS A 82 15.935 -25.107 -8.250 1.00 61.22 H new ATOM 0 HG2 LYS A 82 13.561 -23.544 -9.324 1.00 73.35 H new ATOM 0 HG3 LYS A 82 15.236 -23.344 -9.799 1.00 73.35 H new ATOM 0 HD2 LYS A 82 15.170 -25.852 -10.459 1.00 55.21 H new ATOM 0 HD3 LYS A 82 13.429 -25.728 -10.306 1.00 55.21 H new ATOM 0 HE2 LYS A 82 13.508 -23.765 -11.924 1.00 61.32 H new ATOM 0 HE3 LYS A 82 15.209 -24.109 -12.168 1.00 61.32 H new ATOM 0 HZ1 LYS A 82 13.219 -25.186 -13.606 1.00 50.01 H new ATOM 0 HZ2 LYS A 82 14.757 -25.887 -13.435 1.00 50.01 H new ATOM 0 HZ3 LYS A 82 13.471 -26.412 -12.458 1.00 50.01 H new ATOM 1279 N PHE A 83 14.212 -25.526 -5.159 1.00 53.03 N ATOM 1280 CA PHE A 83 14.655 -25.924 -3.828 1.00 45.34 C ATOM 1281 C PHE A 83 13.860 -27.125 -3.326 1.00 63.34 C ATOM 1282 O PHE A 83 14.379 -27.963 -2.587 1.00 10.54 O ATOM 1283 CB PHE A 83 14.510 -24.757 -2.849 1.00 44.24 C ATOM 1284 CG PHE A 83 15.429 -24.850 -1.665 1.00 22.41 C ATOM 1285 CD1 PHE A 83 16.795 -25.002 -1.841 1.00 42.43 C ATOM 1286 CD2 PHE A 83 14.927 -24.787 -0.375 1.00 41.41 C ATOM 1287 CE1 PHE A 83 17.643 -25.089 -0.753 1.00 14.30 C ATOM 1288 CE2 PHE A 83 15.770 -24.873 0.717 1.00 12.22 C ATOM 1289 CZ PHE A 83 17.129 -25.023 0.528 1.00 65.02 C ATOM 0 H PHE A 83 13.659 -24.669 -5.180 1.00 53.03 H new ATOM 0 HA PHE A 83 15.706 -26.207 -3.892 1.00 45.34 H new ATOM 0 HB2 PHE A 83 14.705 -23.824 -3.377 1.00 44.24 H new ATOM 0 HB3 PHE A 83 13.479 -24.715 -2.496 1.00 44.24 H new ATOM 0 HD1 PHE A 83 17.202 -25.053 -2.840 1.00 42.43 H new ATOM 0 HD2 PHE A 83 13.865 -24.669 -0.221 1.00 41.41 H new ATOM 0 HE1 PHE A 83 18.706 -25.208 -0.904 1.00 14.30 H new ATOM 0 HE2 PHE A 83 15.366 -24.823 1.717 1.00 12.22 H new ATOM 0 HZ PHE A 83 17.790 -25.089 1.380 1.00 65.02 H new ATOM 1299 N LEU A 84 12.598 -27.203 -3.733 1.00 61.42 N ATOM 1300 CA LEU A 84 11.729 -28.302 -3.325 1.00 42.11 C ATOM 1301 C LEU A 84 12.073 -29.579 -4.085 1.00 31.11 C ATOM 1302 O LEU A 84 11.888 -30.685 -3.577 1.00 24.14 O ATOM 1303 CB LEU A 84 10.263 -27.933 -3.561 1.00 24.53 C ATOM 1304 CG LEU A 84 9.774 -26.656 -2.877 1.00 62.21 C ATOM 1305 CD1 LEU A 84 8.398 -26.268 -3.394 1.00 53.21 C ATOM 1306 CD2 LEU A 84 9.747 -26.837 -1.366 1.00 41.44 C ATOM 0 H LEU A 84 12.153 -26.519 -4.345 1.00 61.42 H new ATOM 0 HA LEU A 84 11.885 -28.481 -2.261 1.00 42.11 H new ATOM 0 HB2 LEU A 84 10.103 -27.830 -4.634 1.00 24.53 H new ATOM 0 HB3 LEU A 84 9.642 -28.763 -3.224 1.00 24.53 H new ATOM 0 HG LEU A 84 10.469 -25.850 -3.114 1.00 62.21 H new ATOM 0 HD11 LEU A 84 8.066 -25.357 -2.896 1.00 53.21 H new ATOM 0 HD12 LEU A 84 8.448 -26.096 -4.469 1.00 53.21 H new ATOM 0 HD13 LEU A 84 7.692 -27.072 -3.188 1.00 53.21 H new ATOM 0 HD21 LEU A 84 9.397 -25.918 -0.896 1.00 41.44 H new ATOM 0 HD22 LEU A 84 9.074 -27.655 -1.110 1.00 41.44 H new ATOM 0 HD23 LEU A 84 10.751 -27.067 -1.009 1.00 41.44 H new ATOM 1318 N VAL A 85 12.576 -29.419 -5.305 1.00 13.31 N ATOM 1319 CA VAL A 85 12.949 -30.559 -6.134 1.00 52.50 C ATOM 1320 C VAL A 85 13.962 -31.448 -5.422 1.00 34.01 C ATOM 1321 O VAL A 85 14.061 -32.642 -5.704 1.00 33.31 O ATOM 1322 CB VAL A 85 13.540 -30.103 -7.481 1.00 51.03 C ATOM 1323 CG1 VAL A 85 13.950 -31.305 -8.318 1.00 44.13 C ATOM 1324 CG2 VAL A 85 12.543 -29.234 -8.234 1.00 20.44 C ATOM 0 H VAL A 85 12.735 -28.511 -5.741 1.00 13.31 H new ATOM 0 HA VAL A 85 12.038 -31.128 -6.319 1.00 52.50 H new ATOM 0 HB VAL A 85 14.431 -29.506 -7.284 1.00 51.03 H new ATOM 0 HG11 VAL A 85 14.365 -30.964 -9.266 1.00 44.13 H new ATOM 0 HG12 VAL A 85 14.701 -31.884 -7.780 1.00 44.13 H new ATOM 0 HG13 VAL A 85 13.078 -31.930 -8.508 1.00 44.13 H new ATOM 0 HG21 VAL A 85 12.978 -28.921 -9.183 1.00 20.44 H new ATOM 0 HG22 VAL A 85 11.633 -29.804 -8.422 1.00 20.44 H new ATOM 0 HG23 VAL A 85 12.304 -28.354 -7.637 1.00 20.44 H new ATOM 1334 N ARG A 86 14.712 -30.858 -4.497 1.00 72.00 N ATOM 1335 CA ARG A 86 15.718 -31.597 -3.744 1.00 43.12 C ATOM 1336 C ARG A 86 15.084 -32.337 -2.570 1.00 3.21 C ATOM 1337 O ARG A 86 15.146 -33.564 -2.489 1.00 43.41 O ATOM 1338 CB ARG A 86 16.805 -30.647 -3.236 1.00 33.30 C ATOM 1339 CG ARG A 86 17.980 -30.502 -4.188 1.00 44.41 C ATOM 1340 CD ARG A 86 18.808 -31.776 -4.250 1.00 4.41 C ATOM 1341 NE ARG A 86 19.634 -31.834 -5.454 1.00 35.35 N ATOM 1342 CZ ARG A 86 19.156 -32.126 -6.658 1.00 41.03 C ATOM 1343 NH1 ARG A 86 17.865 -32.384 -6.819 1.00 45.31 N ATOM 1344 NH2 ARG A 86 19.970 -32.160 -7.706 1.00 2.24 N ATOM 0 H ARG A 86 14.642 -29.871 -4.251 1.00 72.00 H new ATOM 0 HA ARG A 86 16.169 -32.331 -4.412 1.00 43.12 H new ATOM 0 HB2 ARG A 86 16.365 -29.665 -3.063 1.00 33.30 H new ATOM 0 HB3 ARG A 86 17.170 -31.007 -2.274 1.00 33.30 H new ATOM 0 HG2 ARG A 86 17.614 -30.256 -5.185 1.00 44.41 H new ATOM 0 HG3 ARG A 86 18.610 -29.673 -3.866 1.00 44.41 H new ATOM 0 HD2 ARG A 86 19.447 -31.836 -3.369 1.00 4.41 H new ATOM 0 HD3 ARG A 86 18.145 -32.641 -4.223 1.00 4.41 H new ATOM 0 HE ARG A 86 20.631 -31.640 -5.365 1.00 35.35 H new ATOM 0 HH11 ARG A 86 17.236 -32.358 -6.017 1.00 45.31 H new ATOM 0 HH12 ARG A 86 17.501 -32.608 -7.745 1.00 45.31 H new ATOM 0 HH21 ARG A 86 20.963 -31.962 -7.587 1.00 2.24 H new ATOM 0 HH22 ARG A 86 19.602 -32.384 -8.630 1.00 2.24 H new ATOM 1358 N VAL A 87 14.475 -31.582 -1.661 1.00 20.00 N ATOM 1359 CA VAL A 87 13.829 -32.166 -0.491 1.00 42.43 C ATOM 1360 C VAL A 87 12.753 -33.165 -0.899 1.00 54.13 C ATOM 1361 O VAL A 87 12.420 -34.079 -0.144 1.00 25.10 O ATOM 1362 CB VAL A 87 13.196 -31.081 0.400 1.00 51.31 C ATOM 1363 CG1 VAL A 87 14.241 -30.061 0.824 1.00 5.33 C ATOM 1364 CG2 VAL A 87 12.042 -30.404 -0.324 1.00 51.20 C ATOM 0 H VAL A 87 14.415 -30.565 -1.712 1.00 20.00 H new ATOM 0 HA VAL A 87 14.605 -32.683 0.074 1.00 42.43 H new ATOM 0 HB VAL A 87 12.803 -31.557 1.298 1.00 51.31 H new ATOM 0 HG11 VAL A 87 13.775 -29.302 1.453 1.00 5.33 H new ATOM 0 HG12 VAL A 87 15.031 -30.561 1.384 1.00 5.33 H new ATOM 0 HG13 VAL A 87 14.667 -29.587 -0.060 1.00 5.33 H new ATOM 0 HG21 VAL A 87 11.606 -29.640 0.320 1.00 51.20 H new ATOM 0 HG22 VAL A 87 12.409 -29.940 -1.240 1.00 51.20 H new ATOM 0 HG23 VAL A 87 11.283 -31.146 -0.572 1.00 51.20 H new ATOM 1374 N HIS A 88 12.210 -32.985 -2.100 1.00 22.15 N ATOM 1375 CA HIS A 88 11.171 -33.872 -2.609 1.00 72.24 C ATOM 1376 C HIS A 88 11.783 -35.107 -3.263 1.00 62.14 C ATOM 1377 O HIS A 88 11.096 -36.098 -3.507 1.00 21.23 O ATOM 1378 CB HIS A 88 10.288 -33.133 -3.615 1.00 40.23 C ATOM 1379 CG HIS A 88 8.956 -33.781 -3.833 1.00 34.20 C ATOM 1380 ND1 HIS A 88 8.021 -33.300 -4.726 1.00 3.14 N ATOM 1381 CD2 HIS A 88 8.403 -34.881 -3.269 1.00 2.43 C ATOM 1382 CE1 HIS A 88 6.951 -34.074 -4.700 1.00 22.12 C ATOM 1383 NE2 HIS A 88 7.158 -35.041 -3.824 1.00 74.11 N ATOM 0 H HIS A 88 12.473 -32.233 -2.738 1.00 22.15 H new ATOM 0 HA HIS A 88 10.559 -34.194 -1.767 1.00 72.24 H new ATOM 0 HB2 HIS A 88 10.133 -32.111 -3.268 1.00 40.23 H new ATOM 0 HB3 HIS A 88 10.812 -33.070 -4.568 1.00 40.23 H new ATOM 0 HD2 HIS A 88 8.857 -35.515 -2.522 1.00 2.43 H new ATOM 0 HE1 HIS A 88 6.059 -33.939 -5.294 1.00 22.12 H new ATOM 0 HE2 HIS A 88 6.499 -35.786 -3.597 1.00 74.11 H new ATOM 1391 N GLY A 89 13.081 -35.039 -3.546 1.00 73.44 N ATOM 1392 CA GLY A 89 13.763 -36.158 -4.170 1.00 42.34 C ATOM 1393 C GLY A 89 13.289 -36.409 -5.588 1.00 12.30 C ATOM 1394 O GLY A 89 13.385 -37.527 -6.094 1.00 12.12 O ATOM 0 H GLY A 89 13.672 -34.230 -3.354 1.00 73.44 H new ATOM 0 HA2 GLY A 89 14.836 -35.967 -4.178 1.00 42.34 H new ATOM 0 HA3 GLY A 89 13.603 -37.056 -3.573 1.00 42.34 H new ATOM 1398 N VAL A 90 12.773 -35.366 -6.231 1.00 42.12 N ATOM 1399 CA VAL A 90 12.281 -35.478 -7.599 1.00 61.40 C ATOM 1400 C VAL A 90 13.345 -35.048 -8.603 1.00 14.11 C ATOM 1401 O VAL A 90 14.183 -34.197 -8.307 1.00 21.44 O ATOM 1402 CB VAL A 90 11.015 -34.627 -7.812 1.00 3.01 C ATOM 1403 CG1 VAL A 90 10.408 -34.905 -9.179 1.00 5.42 C ATOM 1404 CG2 VAL A 90 10.004 -34.891 -6.707 1.00 31.22 C ATOM 0 H VAL A 90 12.685 -34.434 -5.826 1.00 42.12 H new ATOM 0 HA VAL A 90 12.035 -36.527 -7.762 1.00 61.40 H new ATOM 0 HB VAL A 90 11.295 -33.574 -7.773 1.00 3.01 H new ATOM 0 HG11 VAL A 90 9.515 -34.295 -9.311 1.00 5.42 H new ATOM 0 HG12 VAL A 90 11.133 -34.660 -9.955 1.00 5.42 H new ATOM 0 HG13 VAL A 90 10.141 -35.959 -9.251 1.00 5.42 H new ATOM 0 HG21 VAL A 90 9.116 -34.281 -6.873 1.00 31.22 H new ATOM 0 HG22 VAL A 90 9.727 -35.945 -6.712 1.00 31.22 H new ATOM 0 HG23 VAL A 90 10.444 -34.636 -5.743 1.00 31.22 H new ATOM 1414 N GLU A 91 13.303 -35.641 -9.792 1.00 21.22 N ATOM 1415 CA GLU A 91 14.264 -35.318 -10.840 1.00 24.52 C ATOM 1416 C GLU A 91 14.089 -33.879 -11.315 1.00 34.11 C ATOM 1417 O GLU A 91 13.007 -33.298 -11.229 1.00 14.04 O ATOM 1418 CB GLU A 91 14.108 -36.280 -12.020 1.00 55.50 C ATOM 1419 CG GLU A 91 13.952 -37.733 -11.605 1.00 50.10 C ATOM 1420 CD GLU A 91 15.010 -38.172 -10.612 1.00 22.51 C ATOM 1421 OE1 GLU A 91 16.107 -38.574 -11.054 1.00 21.33 O ATOM 1422 OE2 GLU A 91 14.742 -38.115 -9.394 1.00 32.02 O ATOM 0 H GLU A 91 12.615 -36.347 -10.053 1.00 21.22 H new ATOM 0 HA GLU A 91 15.266 -35.425 -10.424 1.00 24.52 H new ATOM 0 HB2 GLU A 91 13.239 -35.983 -12.607 1.00 55.50 H new ATOM 0 HB3 GLU A 91 14.978 -36.188 -12.670 1.00 55.50 H new ATOM 0 HG2 GLU A 91 12.965 -37.878 -11.166 1.00 50.10 H new ATOM 0 HG3 GLU A 91 14.004 -38.367 -12.490 1.00 50.10 H new ATOM 1429 N PRO A 92 15.178 -33.289 -11.829 1.00 11.23 N ATOM 1430 CA PRO A 92 15.170 -31.910 -12.328 1.00 24.52 C ATOM 1431 C PRO A 92 14.364 -31.764 -13.614 1.00 23.11 C ATOM 1432 O PRO A 92 14.065 -32.751 -14.286 1.00 64.21 O ATOM 1433 CB PRO A 92 16.650 -31.619 -12.588 1.00 64.53 C ATOM 1434 CG PRO A 92 17.263 -32.956 -12.827 1.00 70.34 C ATOM 1435 CD PRO A 92 16.501 -33.922 -11.962 1.00 52.35 C ATOM 0 HA PRO A 92 14.704 -31.223 -11.621 1.00 24.52 H new ATOM 0 HB2 PRO A 92 16.779 -30.965 -13.450 1.00 64.53 H new ATOM 0 HB3 PRO A 92 17.111 -31.119 -11.736 1.00 64.53 H new ATOM 0 HG2 PRO A 92 17.193 -33.235 -13.878 1.00 70.34 H new ATOM 0 HG3 PRO A 92 18.322 -32.952 -12.568 1.00 70.34 H new ATOM 0 HD2 PRO A 92 16.431 -34.907 -12.424 1.00 52.35 H new ATOM 0 HD3 PRO A 92 16.981 -34.058 -10.993 1.00 52.35 H new ATOM 1443 N ASP A 93 14.016 -30.527 -13.951 1.00 30.15 N ATOM 1444 CA ASP A 93 13.245 -30.252 -15.158 1.00 5.54 C ATOM 1445 C ASP A 93 13.312 -28.771 -15.519 1.00 3.13 C ATOM 1446 O ASP A 93 12.881 -27.914 -14.748 1.00 13.43 O ATOM 1447 CB ASP A 93 11.789 -30.677 -14.967 1.00 71.50 C ATOM 1448 CG ASP A 93 11.139 -31.115 -16.265 1.00 22.21 C ATOM 1449 OD1 ASP A 93 11.820 -31.080 -17.311 1.00 64.32 O ATOM 1450 OD2 ASP A 93 9.950 -31.494 -16.234 1.00 53.43 O ATOM 0 H ASP A 93 14.255 -29.699 -13.406 1.00 30.15 H new ATOM 0 HA ASP A 93 13.679 -30.828 -15.976 1.00 5.54 H new ATOM 0 HB2 ASP A 93 11.743 -31.494 -14.247 1.00 71.50 H new ATOM 0 HB3 ASP A 93 11.224 -29.847 -14.543 1.00 71.50 H new ATOM 1455 N ASP A 94 13.857 -28.478 -16.695 1.00 32.05 N ATOM 1456 CA ASP A 94 13.980 -27.101 -17.158 1.00 44.11 C ATOM 1457 C ASP A 94 12.916 -26.782 -18.203 1.00 40.23 C ATOM 1458 O ASP A 94 12.502 -25.633 -18.350 1.00 54.14 O ATOM 1459 CB ASP A 94 15.374 -26.860 -17.741 1.00 12.30 C ATOM 1460 CG ASP A 94 16.479 -27.253 -16.781 1.00 21.31 C ATOM 1461 OD1 ASP A 94 16.486 -26.741 -15.642 1.00 53.13 O ATOM 1462 OD2 ASP A 94 17.338 -28.073 -17.168 1.00 70.34 O ATOM 0 H ASP A 94 14.220 -29.176 -17.344 1.00 32.05 H new ATOM 0 HA ASP A 94 13.833 -26.441 -16.303 1.00 44.11 H new ATOM 0 HB2 ASP A 94 15.481 -27.427 -18.665 1.00 12.30 H new ATOM 0 HB3 ASP A 94 15.479 -25.806 -18.000 1.00 12.30 H new ATOM 1467 N ASN A 95 12.479 -27.807 -18.927 1.00 51.14 N ATOM 1468 CA ASN A 95 11.464 -27.635 -19.960 1.00 72.25 C ATOM 1469 C ASN A 95 10.186 -27.043 -19.374 1.00 51.34 C ATOM 1470 O ASN A 95 9.413 -26.389 -20.075 1.00 53.50 O ATOM 1471 CB ASN A 95 11.157 -28.976 -20.631 1.00 12.21 C ATOM 1472 CG ASN A 95 10.019 -28.876 -21.629 1.00 22.22 C ATOM 1473 OD1 ASN A 95 9.124 -29.721 -21.652 1.00 54.52 O ATOM 1474 ND2 ASN A 95 10.050 -27.841 -22.459 1.00 41.45 N ATOM 0 H ASN A 95 12.812 -28.765 -18.818 1.00 51.14 H new ATOM 0 HA ASN A 95 11.855 -26.943 -20.706 1.00 72.25 H new ATOM 0 HB2 ASN A 95 12.051 -29.338 -21.139 1.00 12.21 H new ATOM 0 HB3 ASN A 95 10.904 -29.712 -19.868 1.00 12.21 H new ATOM 0 HD21 ASN A 95 9.312 -27.721 -23.153 1.00 41.45 H new ATOM 0 HD22 ASN A 95 10.812 -27.165 -22.403 1.00 41.45 H new ATOM 1481 N THR A 96 9.970 -27.276 -18.083 1.00 51.44 N ATOM 1482 CA THR A 96 8.786 -26.766 -17.402 1.00 64.04 C ATOM 1483 C THR A 96 8.887 -25.262 -17.176 1.00 41.12 C ATOM 1484 O THR A 96 7.874 -24.573 -17.061 1.00 44.02 O ATOM 1485 CB THR A 96 8.574 -27.465 -16.046 1.00 43.41 C ATOM 1486 OG1 THR A 96 8.602 -28.886 -16.217 1.00 45.13 O ATOM 1487 CG2 THR A 96 7.249 -27.050 -15.425 1.00 51.31 C ATOM 0 H THR A 96 10.600 -27.815 -17.488 1.00 51.44 H new ATOM 0 HA THR A 96 7.934 -26.977 -18.048 1.00 64.04 H new ATOM 0 HB THR A 96 9.381 -27.164 -15.378 1.00 43.41 H new ATOM 0 HG1 THR A 96 8.468 -29.323 -15.350 1.00 45.13 H new ATOM 0 HG21 THR A 96 7.121 -27.556 -14.468 1.00 51.31 H new ATOM 0 HG22 THR A 96 7.243 -25.971 -15.268 1.00 51.31 H new ATOM 0 HG23 THR A 96 6.432 -27.325 -16.093 1.00 51.31 H new ATOM 1495 N ASN A 97 10.116 -24.758 -17.114 1.00 74.41 N ATOM 1496 CA ASN A 97 10.348 -23.334 -16.902 1.00 22.43 C ATOM 1497 C ASN A 97 9.701 -22.507 -18.008 1.00 10.42 C ATOM 1498 O ASN A 97 9.325 -21.354 -17.796 1.00 61.43 O ATOM 1499 CB ASN A 97 11.849 -23.045 -16.844 1.00 44.43 C ATOM 1500 CG ASN A 97 12.519 -23.698 -15.651 1.00 1.54 C ATOM 1501 OD1 ASN A 97 11.974 -24.622 -15.048 1.00 32.22 O ATOM 1502 ND2 ASN A 97 13.708 -23.218 -15.304 1.00 14.35 N ATOM 0 H ASN A 97 10.966 -25.315 -17.208 1.00 74.41 H new ATOM 0 HA ASN A 97 9.894 -23.054 -15.952 1.00 22.43 H new ATOM 0 HB2 ASN A 97 12.320 -23.400 -17.761 1.00 44.43 H new ATOM 0 HB3 ASN A 97 12.007 -21.967 -16.801 1.00 44.43 H new ATOM 0 HD21 ASN A 97 14.207 -23.617 -14.509 1.00 14.35 H new ATOM 0 HD22 ASN A 97 14.122 -22.451 -15.833 1.00 14.35 H new ATOM 1509 N GLY A 98 9.574 -23.104 -19.189 1.00 53.42 N ATOM 1510 CA GLY A 98 8.971 -22.407 -20.311 1.00 64.41 C ATOM 1511 C GLY A 98 9.670 -21.099 -20.625 1.00 23.44 C ATOM 1512 O GLY A 98 9.021 -20.070 -20.814 1.00 25.23 O ATOM 0 H GLY A 98 9.877 -24.057 -19.389 1.00 53.42 H new ATOM 0 HA2 GLY A 98 8.998 -23.050 -21.191 1.00 64.41 H new ATOM 0 HA3 GLY A 98 7.922 -22.211 -20.091 1.00 64.41 H new ATOM 1516 N PHE A 99 10.998 -21.138 -20.678 1.00 55.45 N ATOM 1517 CA PHE A 99 11.786 -19.945 -20.969 1.00 35.35 C ATOM 1518 C PHE A 99 11.463 -19.405 -22.359 1.00 25.51 C ATOM 1519 O PHE A 99 11.614 -18.213 -22.625 1.00 40.11 O ATOM 1520 CB PHE A 99 13.280 -20.258 -20.864 1.00 13.21 C ATOM 1521 CG PHE A 99 14.128 -19.047 -20.600 1.00 43.22 C ATOM 1522 CD1 PHE A 99 13.967 -18.312 -19.437 1.00 1.41 C ATOM 1523 CD2 PHE A 99 15.088 -18.644 -21.515 1.00 75.12 C ATOM 1524 CE1 PHE A 99 14.746 -17.197 -19.192 1.00 41.53 C ATOM 1525 CE2 PHE A 99 15.870 -17.530 -21.276 1.00 31.01 C ATOM 1526 CZ PHE A 99 15.700 -16.806 -20.112 1.00 55.03 C ATOM 0 H PHE A 99 11.550 -21.981 -20.523 1.00 55.45 H new ATOM 0 HA PHE A 99 11.529 -19.182 -20.235 1.00 35.35 H new ATOM 0 HB2 PHE A 99 13.436 -20.983 -20.065 1.00 13.21 H new ATOM 0 HB3 PHE A 99 13.611 -20.729 -21.790 1.00 13.21 H new ATOM 0 HD1 PHE A 99 13.224 -18.614 -18.713 1.00 1.41 H new ATOM 0 HD2 PHE A 99 15.227 -19.208 -22.426 1.00 75.12 H new ATOM 0 HE1 PHE A 99 14.609 -16.632 -18.282 1.00 41.53 H new ATOM 0 HE2 PHE A 99 16.613 -17.226 -21.998 1.00 31.01 H new ATOM 0 HZ PHE A 99 16.311 -15.936 -19.921 1.00 55.03 H new ATOM 1536 N LYS A 100 11.020 -20.292 -23.243 1.00 73.51 N ATOM 1537 CA LYS A 100 10.675 -19.908 -24.607 1.00 1.34 C ATOM 1538 C LYS A 100 9.680 -18.752 -24.611 1.00 11.33 C ATOM 1539 O LYS A 100 9.921 -17.714 -25.226 1.00 64.21 O ATOM 1540 CB LYS A 100 10.089 -21.102 -25.363 1.00 12.02 C ATOM 1541 CG LYS A 100 11.136 -21.958 -26.054 1.00 50.32 C ATOM 1542 CD LYS A 100 10.603 -23.345 -26.370 1.00 54.13 C ATOM 1543 CE LYS A 100 11.727 -24.364 -26.476 1.00 41.45 C ATOM 1544 NZ LYS A 100 12.257 -24.747 -25.138 1.00 53.45 N ATOM 0 H LYS A 100 10.891 -21.283 -23.039 1.00 73.51 H new ATOM 0 HA LYS A 100 11.587 -19.582 -25.107 1.00 1.34 H new ATOM 0 HB2 LYS A 100 9.527 -21.723 -24.665 1.00 12.02 H new ATOM 0 HB3 LYS A 100 9.381 -20.738 -26.107 1.00 12.02 H new ATOM 0 HG2 LYS A 100 11.455 -21.471 -26.976 1.00 50.32 H new ATOM 0 HG3 LYS A 100 12.017 -22.042 -25.417 1.00 50.32 H new ATOM 0 HD2 LYS A 100 9.904 -23.653 -25.593 1.00 54.13 H new ATOM 0 HD3 LYS A 100 10.046 -23.317 -27.307 1.00 54.13 H new ATOM 0 HE2 LYS A 100 11.363 -25.253 -26.991 1.00 41.45 H new ATOM 0 HE3 LYS A 100 12.534 -23.953 -27.082 1.00 41.45 H new ATOM 0 HZ1 LYS A 100 12.911 -25.549 -25.240 1.00 53.45 H new ATOM 0 HZ2 LYS A 100 12.762 -23.939 -24.721 1.00 53.45 H new ATOM 0 HZ3 LYS A 100 11.468 -25.020 -24.517 1.00 53.45 H new ATOM 1558 N GLY A 101 8.560 -18.938 -23.918 1.00 42.11 N ATOM 1559 CA GLY A 101 7.546 -17.902 -23.854 1.00 44.43 C ATOM 1560 C GLY A 101 7.885 -16.821 -22.847 1.00 51.40 C ATOM 1561 O GLY A 101 7.625 -15.640 -23.081 1.00 53.44 O ATOM 0 H GLY A 101 8.337 -19.788 -23.400 1.00 42.11 H new ATOM 0 HA2 GLY A 101 7.428 -17.452 -24.840 1.00 44.43 H new ATOM 0 HA3 GLY A 101 6.588 -18.351 -23.592 1.00 44.43 H new ATOM 1565 N LEU A 102 8.465 -17.223 -21.722 1.00 62.30 N ATOM 1566 CA LEU A 102 8.839 -16.280 -20.674 1.00 34.24 C ATOM 1567 C LEU A 102 9.772 -15.203 -21.217 1.00 64.51 C ATOM 1568 O LEU A 102 9.636 -14.026 -20.888 1.00 14.34 O ATOM 1569 CB LEU A 102 9.511 -17.017 -19.514 1.00 3.32 C ATOM 1570 CG LEU A 102 10.252 -16.141 -18.502 1.00 62.34 C ATOM 1571 CD1 LEU A 102 9.276 -15.245 -17.756 1.00 22.31 C ATOM 1572 CD2 LEU A 102 11.040 -17.004 -17.527 1.00 44.43 C ATOM 0 H LEU A 102 8.687 -18.196 -21.512 1.00 62.30 H new ATOM 0 HA LEU A 102 7.931 -15.798 -20.312 1.00 34.24 H new ATOM 0 HB2 LEU A 102 8.749 -17.587 -18.982 1.00 3.32 H new ATOM 0 HB3 LEU A 102 10.217 -17.737 -19.927 1.00 3.32 H new ATOM 0 HG LEU A 102 10.954 -15.506 -19.044 1.00 62.34 H new ATOM 0 HD11 LEU A 102 9.821 -14.629 -17.041 1.00 22.31 H new ATOM 0 HD12 LEU A 102 8.757 -14.602 -18.466 1.00 22.31 H new ATOM 0 HD13 LEU A 102 8.550 -15.861 -17.225 1.00 22.31 H new ATOM 0 HD21 LEU A 102 11.561 -16.365 -16.814 1.00 44.43 H new ATOM 0 HD22 LEU A 102 10.357 -17.664 -16.991 1.00 44.43 H new ATOM 0 HD23 LEU A 102 11.767 -17.603 -18.076 1.00 44.43 H new ATOM 1584 N MET A 103 10.720 -15.616 -22.053 1.00 12.02 N ATOM 1585 CA MET A 103 11.674 -14.686 -22.645 1.00 10.41 C ATOM 1586 C MET A 103 10.952 -13.563 -23.384 1.00 20.23 C ATOM 1587 O MET A 103 11.254 -12.385 -23.192 1.00 72.00 O ATOM 1588 CB MET A 103 12.610 -15.423 -23.604 1.00 24.33 C ATOM 1589 CG MET A 103 13.663 -14.527 -24.235 1.00 42.20 C ATOM 1590 SD MET A 103 15.063 -14.222 -23.140 1.00 12.30 S ATOM 1591 CE MET A 103 14.448 -12.839 -22.182 1.00 42.53 C ATOM 0 H MET A 103 10.847 -16.588 -22.335 1.00 12.02 H new ATOM 0 HA MET A 103 12.263 -14.248 -21.839 1.00 10.41 H new ATOM 0 HB2 MET A 103 13.107 -16.230 -23.065 1.00 24.33 H new ATOM 0 HB3 MET A 103 12.017 -15.885 -24.394 1.00 24.33 H new ATOM 0 HG2 MET A 103 14.021 -14.987 -25.156 1.00 42.20 H new ATOM 0 HG3 MET A 103 13.208 -13.576 -24.510 1.00 42.20 H new ATOM 0 HE1 MET A 103 15.152 -12.009 -22.247 1.00 42.53 H new ATOM 0 HE2 MET A 103 13.481 -12.526 -22.575 1.00 42.53 H new ATOM 0 HE3 MET A 103 14.336 -13.139 -21.140 1.00 42.53 H new ATOM 1601 N LYS A 104 9.997 -13.936 -24.229 1.00 42.12 N ATOM 1602 CA LYS A 104 9.231 -12.961 -24.997 1.00 30.24 C ATOM 1603 C LYS A 104 8.303 -12.161 -24.088 1.00 31.40 C ATOM 1604 O LYS A 104 8.146 -10.952 -24.256 1.00 15.02 O ATOM 1605 CB LYS A 104 8.416 -13.665 -26.084 1.00 13.21 C ATOM 1606 CG LYS A 104 9.214 -14.683 -26.880 1.00 11.31 C ATOM 1607 CD LYS A 104 10.375 -14.031 -27.613 1.00 31.44 C ATOM 1608 CE LYS A 104 9.890 -13.002 -28.622 1.00 0.13 C ATOM 1609 NZ LYS A 104 10.902 -12.747 -29.684 1.00 1.21 N ATOM 0 H LYS A 104 9.735 -14.907 -24.400 1.00 42.12 H new ATOM 0 HA LYS A 104 9.933 -12.272 -25.467 1.00 30.24 H new ATOM 0 HB2 LYS A 104 7.565 -14.164 -25.622 1.00 13.21 H new ATOM 0 HB3 LYS A 104 8.014 -12.917 -26.767 1.00 13.21 H new ATOM 0 HG2 LYS A 104 9.593 -15.455 -26.210 1.00 11.31 H new ATOM 0 HG3 LYS A 104 8.561 -15.178 -27.599 1.00 11.31 H new ATOM 0 HD2 LYS A 104 11.038 -13.551 -26.893 1.00 31.44 H new ATOM 0 HD3 LYS A 104 10.959 -14.796 -28.124 1.00 31.44 H new ATOM 0 HE2 LYS A 104 8.964 -13.350 -29.079 1.00 0.13 H new ATOM 0 HE3 LYS A 104 9.661 -12.069 -28.107 1.00 0.13 H new ATOM 0 HZ1 LYS A 104 10.534 -12.040 -30.352 1.00 1.21 H new ATOM 0 HZ2 LYS A 104 11.778 -12.391 -29.251 1.00 1.21 H new ATOM 0 HZ3 LYS A 104 11.102 -13.632 -30.192 1.00 1.21 H new ATOM 1623 N ARG A 105 7.692 -12.844 -23.125 1.00 62.11 N ATOM 1624 CA ARG A 105 6.780 -12.196 -22.190 1.00 22.51 C ATOM 1625 C ARG A 105 7.506 -11.134 -21.370 1.00 24.44 C ATOM 1626 O ARG A 105 6.946 -10.082 -21.060 1.00 65.13 O ATOM 1627 CB ARG A 105 6.150 -13.233 -21.258 1.00 61.42 C ATOM 1628 CG ARG A 105 4.714 -12.915 -20.875 1.00 3.24 C ATOM 1629 CD ARG A 105 4.089 -14.044 -20.070 1.00 50.32 C ATOM 1630 NE ARG A 105 2.781 -13.676 -19.536 1.00 55.41 N ATOM 1631 CZ ARG A 105 1.942 -14.544 -18.981 1.00 64.14 C ATOM 1632 NH1 ARG A 105 2.275 -15.824 -18.888 1.00 32.20 N ATOM 1633 NH2 ARG A 105 0.769 -14.133 -18.518 1.00 41.50 N ATOM 0 H ARG A 105 7.812 -13.845 -22.972 1.00 62.11 H new ATOM 0 HA ARG A 105 5.993 -11.710 -22.767 1.00 22.51 H new ATOM 0 HB2 ARG A 105 6.180 -14.209 -21.741 1.00 61.42 H new ATOM 0 HB3 ARG A 105 6.751 -13.307 -20.352 1.00 61.42 H new ATOM 0 HG2 ARG A 105 4.687 -11.994 -20.293 1.00 3.24 H new ATOM 0 HG3 ARG A 105 4.126 -12.740 -21.776 1.00 3.24 H new ATOM 0 HD2 ARG A 105 3.987 -14.927 -20.702 1.00 50.32 H new ATOM 0 HD3 ARG A 105 4.753 -14.314 -19.249 1.00 50.32 H new ATOM 0 HE ARG A 105 2.495 -12.698 -19.592 1.00 55.41 H new ATOM 0 HH11 ARG A 105 3.176 -16.144 -19.243 1.00 32.20 H new ATOM 0 HH12 ARG A 105 1.630 -16.489 -18.462 1.00 32.20 H new ATOM 0 HH21 ARG A 105 0.510 -13.149 -18.588 1.00 41.50 H new ATOM 0 HH22 ARG A 105 0.126 -14.801 -18.092 1.00 41.50 H new ATOM 1647 N THR A 106 8.757 -11.417 -21.019 1.00 63.50 N ATOM 1648 CA THR A 106 9.560 -10.488 -20.234 1.00 33.55 C ATOM 1649 C THR A 106 10.101 -9.359 -21.102 1.00 41.03 C ATOM 1650 O THR A 106 9.924 -8.181 -20.790 1.00 12.02 O ATOM 1651 CB THR A 106 10.739 -11.205 -19.549 1.00 1.21 C ATOM 1652 OG1 THR A 106 11.612 -11.764 -20.536 1.00 62.42 O ATOM 1653 CG2 THR A 106 10.241 -12.304 -18.623 1.00 73.55 C ATOM 0 H THR A 106 9.236 -12.283 -21.266 1.00 63.50 H new ATOM 0 HA THR A 106 8.904 -10.071 -19.470 1.00 33.55 H new ATOM 0 HB THR A 106 11.285 -10.472 -18.955 1.00 1.21 H new ATOM 0 HG1 THR A 106 11.174 -12.529 -20.964 1.00 62.42 H new ATOM 0 HG21 THR A 106 11.092 -12.796 -18.151 1.00 73.55 H new ATOM 0 HG22 THR A 106 9.601 -11.870 -17.855 1.00 73.55 H new ATOM 0 HG23 THR A 106 9.673 -13.035 -19.198 1.00 73.55 H new ATOM 1661 N THR A 107 10.762 -9.725 -22.196 1.00 44.41 N ATOM 1662 CA THR A 107 11.330 -8.742 -23.110 1.00 43.13 C ATOM 1663 C THR A 107 10.285 -7.716 -23.533 1.00 2.31 C ATOM 1664 O THR A 107 10.596 -6.539 -23.722 1.00 33.40 O ATOM 1665 CB THR A 107 11.911 -9.415 -24.369 1.00 12.35 C ATOM 1666 OG1 THR A 107 12.921 -10.359 -23.997 1.00 60.12 O ATOM 1667 CG2 THR A 107 12.501 -8.378 -25.313 1.00 31.31 C ATOM 0 H THR A 107 10.917 -10.695 -22.470 1.00 44.41 H new ATOM 0 HA THR A 107 12.133 -8.238 -22.572 1.00 43.13 H new ATOM 0 HB THR A 107 11.102 -9.933 -24.884 1.00 12.35 H new ATOM 0 HG1 THR A 107 12.507 -11.230 -23.822 1.00 60.12 H new ATOM 0 HG21 THR A 107 12.905 -8.876 -26.194 1.00 31.31 H new ATOM 0 HG22 THR A 107 11.723 -7.678 -25.617 1.00 31.31 H new ATOM 0 HG23 THR A 107 13.299 -7.836 -24.805 1.00 31.31 H new ATOM 1675 N LYS A 108 9.044 -8.168 -23.679 1.00 44.32 N ATOM 1676 CA LYS A 108 7.951 -7.289 -24.078 1.00 4.23 C ATOM 1677 C LYS A 108 7.713 -6.207 -23.029 1.00 31.32 C ATOM 1678 O LYS A 108 7.450 -5.051 -23.363 1.00 20.20 O ATOM 1679 CB LYS A 108 6.670 -8.098 -24.291 1.00 64.41 C ATOM 1680 CG LYS A 108 6.325 -8.316 -25.754 1.00 52.41 C ATOM 1681 CD LYS A 108 6.024 -7.002 -26.457 1.00 21.41 C ATOM 1682 CE LYS A 108 5.580 -7.228 -27.894 1.00 31.30 C ATOM 1683 NZ LYS A 108 6.644 -7.880 -28.707 1.00 54.14 N ATOM 0 H LYS A 108 8.770 -9.139 -23.527 1.00 44.32 H new ATOM 0 HA LYS A 108 8.229 -6.807 -25.015 1.00 4.23 H new ATOM 0 HB2 LYS A 108 6.777 -9.067 -23.803 1.00 64.41 H new ATOM 0 HB3 LYS A 108 5.841 -7.585 -23.803 1.00 64.41 H new ATOM 0 HG2 LYS A 108 7.155 -8.816 -26.254 1.00 52.41 H new ATOM 0 HG3 LYS A 108 5.462 -8.977 -25.831 1.00 52.41 H new ATOM 0 HD2 LYS A 108 5.244 -6.468 -25.914 1.00 21.41 H new ATOM 0 HD3 LYS A 108 6.912 -6.370 -26.444 1.00 21.41 H new ATOM 0 HE2 LYS A 108 4.684 -7.848 -27.904 1.00 31.30 H new ATOM 0 HE3 LYS A 108 5.312 -6.273 -28.346 1.00 31.30 H new ATOM 0 HZ1 LYS A 108 6.365 -7.879 -29.709 1.00 54.14 H new ATOM 0 HZ2 LYS A 108 7.536 -7.357 -28.595 1.00 54.14 H new ATOM 0 HZ3 LYS A 108 6.775 -8.860 -28.385 1.00 54.14 H new ATOM 1697 N LEU A 109 7.808 -6.589 -21.760 1.00 35.10 N ATOM 1698 CA LEU A 109 7.604 -5.651 -20.661 1.00 74.15 C ATOM 1699 C LEU A 109 8.761 -4.662 -20.568 1.00 50.01 C ATOM 1700 O LEU A 109 8.555 -3.467 -20.350 1.00 72.31 O ATOM 1701 CB LEU A 109 7.456 -6.407 -19.340 1.00 30.11 C ATOM 1702 CG LEU A 109 6.024 -6.700 -18.890 1.00 41.33 C ATOM 1703 CD1 LEU A 109 6.024 -7.502 -17.598 1.00 54.32 C ATOM 1704 CD2 LEU A 109 5.245 -5.404 -18.716 1.00 75.44 C ATOM 0 H LEU A 109 8.025 -7.541 -21.467 1.00 35.10 H new ATOM 0 HA LEU A 109 6.688 -5.093 -20.857 1.00 74.15 H new ATOM 0 HB2 LEU A 109 7.990 -7.354 -19.425 1.00 30.11 H new ATOM 0 HB3 LEU A 109 7.951 -5.831 -18.558 1.00 30.11 H new ATOM 0 HG LEU A 109 5.535 -7.294 -19.662 1.00 41.33 H new ATOM 0 HD11 LEU A 109 4.997 -7.701 -17.293 1.00 54.32 H new ATOM 0 HD12 LEU A 109 6.545 -8.446 -17.756 1.00 54.32 H new ATOM 0 HD13 LEU A 109 6.531 -6.934 -16.817 1.00 54.32 H new ATOM 0 HD21 LEU A 109 4.228 -5.631 -18.396 1.00 75.44 H new ATOM 0 HD22 LEU A 109 5.733 -4.784 -17.964 1.00 75.44 H new ATOM 0 HD23 LEU A 109 5.215 -4.867 -19.664 1.00 75.44 H new ATOM 1716 N LEU A 110 9.978 -5.166 -20.736 1.00 63.43 N ATOM 1717 CA LEU A 110 11.170 -4.327 -20.673 1.00 53.14 C ATOM 1718 C LEU A 110 11.069 -3.164 -21.655 1.00 14.53 C ATOM 1719 O LEU A 110 11.674 -2.111 -21.451 1.00 53.22 O ATOM 1720 CB LEU A 110 12.419 -5.157 -20.975 1.00 52.44 C ATOM 1721 CG LEU A 110 13.096 -5.813 -19.772 1.00 35.42 C ATOM 1722 CD1 LEU A 110 13.535 -4.761 -18.766 1.00 44.44 C ATOM 1723 CD2 LEU A 110 12.160 -6.820 -19.118 1.00 24.21 C ATOM 0 H LEU A 110 10.166 -6.152 -20.917 1.00 63.43 H new ATOM 0 HA LEU A 110 11.246 -3.922 -19.664 1.00 53.14 H new ATOM 0 HB2 LEU A 110 12.148 -5.938 -21.685 1.00 52.44 H new ATOM 0 HB3 LEU A 110 13.147 -4.514 -21.470 1.00 52.44 H new ATOM 0 HG LEU A 110 13.982 -6.343 -20.122 1.00 35.42 H new ATOM 0 HD11 LEU A 110 14.015 -5.248 -17.917 1.00 44.44 H new ATOM 0 HD12 LEU A 110 14.240 -4.078 -19.239 1.00 44.44 H new ATOM 0 HD13 LEU A 110 12.665 -4.203 -18.420 1.00 44.44 H new ATOM 0 HD21 LEU A 110 12.658 -7.278 -18.263 1.00 24.21 H new ATOM 0 HD22 LEU A 110 11.256 -6.312 -18.782 1.00 24.21 H new ATOM 0 HD23 LEU A 110 11.895 -7.592 -19.840 1.00 24.21 H new ATOM 1735 N LYS A 111 10.298 -3.360 -22.719 1.00 51.52 N ATOM 1736 CA LYS A 111 10.113 -2.326 -23.731 1.00 64.54 C ATOM 1737 C LYS A 111 9.499 -1.071 -23.121 1.00 40.44 C ATOM 1738 O LYS A 111 9.665 0.032 -23.644 1.00 62.55 O ATOM 1739 CB LYS A 111 9.222 -2.845 -24.863 1.00 25.15 C ATOM 1740 CG LYS A 111 9.846 -3.981 -25.656 1.00 11.52 C ATOM 1741 CD LYS A 111 10.719 -3.459 -26.784 1.00 44.51 C ATOM 1742 CE LYS A 111 12.176 -3.353 -26.358 1.00 71.34 C ATOM 1743 NZ LYS A 111 13.105 -3.621 -27.491 1.00 24.34 N ATOM 0 H LYS A 111 9.791 -4.226 -22.903 1.00 51.52 H new ATOM 0 HA LYS A 111 11.092 -2.070 -24.136 1.00 64.54 H new ATOM 0 HB2 LYS A 111 8.275 -3.184 -24.443 1.00 25.15 H new ATOM 0 HB3 LYS A 111 8.994 -2.022 -25.541 1.00 25.15 H new ATOM 0 HG2 LYS A 111 10.443 -4.605 -24.991 1.00 11.52 H new ATOM 0 HG3 LYS A 111 9.060 -4.614 -26.066 1.00 11.52 H new ATOM 0 HD2 LYS A 111 10.638 -4.122 -27.645 1.00 44.51 H new ATOM 0 HD3 LYS A 111 10.359 -2.480 -27.101 1.00 44.51 H new ATOM 0 HE2 LYS A 111 12.367 -2.356 -25.960 1.00 71.34 H new ATOM 0 HE3 LYS A 111 12.372 -4.061 -25.553 1.00 71.34 H new ATOM 0 HZ1 LYS A 111 14.088 -3.539 -27.161 1.00 24.34 H new ATOM 0 HZ2 LYS A 111 12.941 -4.581 -27.855 1.00 24.34 H new ATOM 0 HZ3 LYS A 111 12.936 -2.930 -28.249 1.00 24.34 H new ATOM 1757 N LYS A 112 8.790 -1.244 -22.011 1.00 54.34 N ATOM 1758 CA LYS A 112 8.152 -0.125 -21.328 1.00 5.44 C ATOM 1759 C LYS A 112 9.148 0.601 -20.428 1.00 13.20 C ATOM 1760 O LYS A 112 9.043 1.810 -20.218 1.00 64.13 O ATOM 1761 CB LYS A 112 6.964 -0.617 -20.499 1.00 10.45 C ATOM 1762 CG LYS A 112 5.746 -0.972 -21.333 1.00 54.31 C ATOM 1763 CD LYS A 112 5.910 -2.320 -22.015 1.00 43.51 C ATOM 1764 CE LYS A 112 4.569 -2.898 -22.437 1.00 74.40 C ATOM 1765 NZ LYS A 112 4.701 -4.291 -22.949 1.00 3.43 N ATOM 0 H LYS A 112 8.643 -2.149 -21.565 1.00 54.34 H new ATOM 0 HA LYS A 112 7.794 0.574 -22.084 1.00 5.44 H new ATOM 0 HB2 LYS A 112 7.269 -1.493 -19.926 1.00 10.45 H new ATOM 0 HB3 LYS A 112 6.689 0.155 -19.780 1.00 10.45 H new ATOM 0 HG2 LYS A 112 4.861 -0.991 -20.697 1.00 54.31 H new ATOM 0 HG3 LYS A 112 5.582 -0.200 -22.085 1.00 54.31 H new ATOM 0 HD2 LYS A 112 6.552 -2.211 -22.889 1.00 43.51 H new ATOM 0 HD3 LYS A 112 6.409 -3.013 -21.338 1.00 43.51 H new ATOM 0 HE2 LYS A 112 3.885 -2.886 -21.588 1.00 74.40 H new ATOM 0 HE3 LYS A 112 4.129 -2.267 -23.209 1.00 74.40 H new ATOM 0 HZ1 LYS A 112 4.200 -4.376 -23.857 1.00 3.43 H new ATOM 0 HZ2 LYS A 112 5.707 -4.517 -23.086 1.00 3.43 H new ATOM 0 HZ3 LYS A 112 4.288 -4.954 -22.262 1.00 3.43 H new ATOM 1779 N VAL A 113 10.114 -0.144 -19.900 1.00 15.35 N ATOM 1780 CA VAL A 113 11.129 0.430 -19.025 1.00 22.44 C ATOM 1781 C VAL A 113 12.249 1.075 -19.832 1.00 44.23 C ATOM 1782 O VAL A 113 12.804 2.100 -19.436 1.00 1.31 O ATOM 1783 CB VAL A 113 11.733 -0.637 -18.091 1.00 52.34 C ATOM 1784 CG1 VAL A 113 12.483 0.021 -16.943 1.00 52.21 C ATOM 1785 CG2 VAL A 113 10.646 -1.563 -17.568 1.00 14.13 C ATOM 0 H VAL A 113 10.215 -1.146 -20.063 1.00 15.35 H new ATOM 0 HA VAL A 113 10.634 1.192 -18.423 1.00 22.44 H new ATOM 0 HB VAL A 113 12.444 -1.235 -18.662 1.00 52.34 H new ATOM 0 HG11 VAL A 113 12.902 -0.748 -16.294 1.00 52.21 H new ATOM 0 HG12 VAL A 113 13.288 0.639 -17.341 1.00 52.21 H new ATOM 0 HG13 VAL A 113 11.797 0.644 -16.370 1.00 52.21 H new ATOM 0 HG21 VAL A 113 11.090 -2.310 -16.910 1.00 14.13 H new ATOM 0 HG22 VAL A 113 9.910 -0.982 -17.013 1.00 14.13 H new ATOM 0 HG23 VAL A 113 10.158 -2.061 -18.406 1.00 14.13 H new ATOM 1795 N VAL A 114 12.578 0.469 -20.969 1.00 32.54 N ATOM 1796 CA VAL A 114 13.631 0.985 -21.834 1.00 63.12 C ATOM 1797 C VAL A 114 13.225 2.314 -22.461 1.00 63.11 C ATOM 1798 O VAL A 114 14.053 3.017 -23.042 1.00 31.35 O ATOM 1799 CB VAL A 114 13.977 -0.014 -22.954 1.00 63.13 C ATOM 1800 CG1 VAL A 114 12.817 -0.146 -23.929 1.00 63.33 C ATOM 1801 CG2 VAL A 114 15.246 0.414 -23.677 1.00 15.42 C ATOM 0 H VAL A 114 12.130 -0.380 -21.312 1.00 32.54 H new ATOM 0 HA VAL A 114 14.510 1.136 -21.207 1.00 63.12 H new ATOM 0 HB VAL A 114 14.155 -0.991 -22.504 1.00 63.13 H new ATOM 0 HG11 VAL A 114 13.080 -0.856 -24.713 1.00 63.33 H new ATOM 0 HG12 VAL A 114 11.934 -0.502 -23.398 1.00 63.33 H new ATOM 0 HG13 VAL A 114 12.605 0.825 -24.375 1.00 63.33 H new ATOM 0 HG21 VAL A 114 15.475 -0.303 -24.465 1.00 15.42 H new ATOM 0 HG22 VAL A 114 15.099 1.401 -24.116 1.00 15.42 H new ATOM 0 HG23 VAL A 114 16.073 0.451 -22.968 1.00 15.42 H new ATOM 1811 N ASP A 115 11.947 2.653 -22.340 1.00 34.33 N ATOM 1812 CA ASP A 115 11.430 3.899 -22.893 1.00 50.12 C ATOM 1813 C ASP A 115 11.874 5.092 -22.053 1.00 3.22 C ATOM 1814 O ASP A 115 12.594 5.969 -22.531 1.00 52.35 O ATOM 1815 CB ASP A 115 9.903 3.854 -22.970 1.00 21.22 C ATOM 1816 CG ASP A 115 9.344 4.850 -23.966 1.00 74.14 C ATOM 1817 OD1 ASP A 115 10.088 5.768 -24.370 1.00 63.10 O ATOM 1818 OD2 ASP A 115 8.161 4.711 -24.343 1.00 44.03 O ATOM 0 H ASP A 115 11.249 2.082 -21.863 1.00 34.33 H new ATOM 0 HA ASP A 115 11.833 4.015 -23.899 1.00 50.12 H new ATOM 0 HB2 ASP A 115 9.586 2.849 -23.248 1.00 21.22 H new ATOM 0 HB3 ASP A 115 9.486 4.058 -21.984 1.00 21.22 H new ATOM 1823 N LYS A 116 11.440 5.120 -20.797 1.00 62.43 N ATOM 1824 CA LYS A 116 11.793 6.204 -19.889 1.00 15.31 C ATOM 1825 C LYS A 116 13.025 5.845 -19.065 1.00 10.31 C ATOM 1826 O LYS A 116 13.980 6.619 -18.990 1.00 25.54 O ATOM 1827 CB LYS A 116 10.619 6.520 -18.959 1.00 73.02 C ATOM 1828 CG LYS A 116 9.413 7.102 -19.677 1.00 64.13 C ATOM 1829 CD LYS A 116 8.541 6.011 -20.276 1.00 13.42 C ATOM 1830 CE LYS A 116 7.066 6.379 -20.212 1.00 3.54 C ATOM 1831 NZ LYS A 116 6.426 5.888 -18.960 1.00 51.12 N ATOM 0 H LYS A 116 10.843 4.403 -20.385 1.00 62.43 H new ATOM 0 HA LYS A 116 12.023 7.085 -20.488 1.00 15.31 H new ATOM 0 HB2 LYS A 116 10.319 5.608 -18.444 1.00 73.02 H new ATOM 0 HB3 LYS A 116 10.951 7.223 -18.195 1.00 73.02 H new ATOM 0 HG2 LYS A 116 8.825 7.697 -18.978 1.00 64.13 H new ATOM 0 HG3 LYS A 116 9.748 7.776 -20.466 1.00 64.13 H new ATOM 0 HD2 LYS A 116 8.830 5.841 -21.313 1.00 13.42 H new ATOM 0 HD3 LYS A 116 8.707 5.076 -19.741 1.00 13.42 H new ATOM 0 HE2 LYS A 116 6.959 7.462 -20.274 1.00 3.54 H new ATOM 0 HE3 LYS A 116 6.549 5.957 -21.074 1.00 3.54 H new ATOM 0 HZ1 LYS A 116 5.422 6.159 -18.954 1.00 51.12 H new ATOM 0 HZ2 LYS A 116 6.506 4.852 -18.913 1.00 51.12 H new ATOM 0 HZ3 LYS A 116 6.903 6.310 -18.138 1.00 51.12 H new ATOM 1845 N HIS A 117 12.997 4.667 -18.450 1.00 5.34 N ATOM 1846 CA HIS A 117 14.114 4.205 -17.633 1.00 0.23 C ATOM 1847 C HIS A 117 15.338 3.919 -18.498 1.00 32.45 C ATOM 1848 O HIS A 117 16.469 3.939 -18.015 1.00 65.24 O ATOM 1849 CB HIS A 117 13.719 2.949 -16.855 1.00 41.42 C ATOM 1850 CG HIS A 117 14.246 2.922 -15.453 1.00 51.44 C ATOM 1851 ND1 HIS A 117 15.567 3.166 -15.141 1.00 73.00 N ATOM 1852 CD2 HIS A 117 13.621 2.680 -14.277 1.00 42.23 C ATOM 1853 CE1 HIS A 117 15.732 3.073 -13.834 1.00 10.14 C ATOM 1854 NE2 HIS A 117 14.566 2.780 -13.286 1.00 63.31 N ATOM 0 H HIS A 117 12.214 4.015 -18.502 1.00 5.34 H new ATOM 0 HA HIS A 117 14.367 4.996 -16.927 1.00 0.23 H new ATOM 0 HB2 HIS A 117 12.632 2.876 -16.827 1.00 41.42 H new ATOM 0 HB3 HIS A 117 14.084 2.071 -17.389 1.00 41.42 H new ATOM 0 HD1 HIS A 117 16.302 3.384 -15.814 1.00 73.00 H new ATOM 0 HD2 HIS A 117 12.574 2.451 -14.143 1.00 42.23 H new ATOM 0 HE1 HIS A 117 16.662 3.213 -13.303 1.00 10.14 H new ATOM 1862 N GLY A 118 15.102 3.651 -19.779 1.00 20.05 N ATOM 1863 CA GLY A 118 16.194 3.363 -20.689 1.00 44.15 C ATOM 1864 C GLY A 118 16.831 2.013 -20.424 1.00 14.13 C ATOM 1865 O GLY A 118 17.854 1.674 -21.019 1.00 11.02 O ATOM 0 H GLY A 118 14.174 3.628 -20.202 1.00 20.05 H new ATOM 0 HA2 GLY A 118 15.825 3.392 -21.714 1.00 44.15 H new ATOM 0 HA3 GLY A 118 16.951 4.142 -20.600 1.00 44.15 H new ATOM 1869 N ILE A 119 16.225 1.242 -19.527 1.00 62.10 N ATOM 1870 CA ILE A 119 16.740 -0.078 -19.184 1.00 14.03 C ATOM 1871 C ILE A 119 16.748 -0.998 -20.400 1.00 30.13 C ATOM 1872 O ILE A 119 15.697 -1.431 -20.870 1.00 54.15 O ATOM 1873 CB ILE A 119 15.909 -0.733 -18.064 1.00 54.54 C ATOM 1874 CG1 ILE A 119 16.056 0.056 -16.762 1.00 2.42 C ATOM 1875 CG2 ILE A 119 16.335 -2.179 -17.865 1.00 60.31 C ATOM 1876 CD1 ILE A 119 17.463 0.046 -16.205 1.00 52.23 C ATOM 0 H ILE A 119 15.378 1.508 -19.025 1.00 62.10 H new ATOM 0 HA ILE A 119 17.762 0.064 -18.832 1.00 14.03 H new ATOM 0 HB ILE A 119 14.859 -0.722 -18.357 1.00 54.54 H new ATOM 0 HG12 ILE A 119 15.750 1.088 -16.935 1.00 2.42 H new ATOM 0 HG13 ILE A 119 15.376 -0.358 -16.017 1.00 2.42 H new ATOM 0 HG21 ILE A 119 15.739 -2.628 -17.071 1.00 60.31 H new ATOM 0 HG22 ILE A 119 16.183 -2.734 -18.791 1.00 60.31 H new ATOM 0 HG23 ILE A 119 17.389 -2.213 -17.591 1.00 60.31 H new ATOM 0 HD11 ILE A 119 17.493 0.625 -15.282 1.00 52.23 H new ATOM 0 HD12 ILE A 119 17.766 -0.981 -16.000 1.00 52.23 H new ATOM 0 HD13 ILE A 119 18.145 0.487 -16.932 1.00 52.23 H new ATOM 1888 N ALA A 120 17.942 -1.294 -20.903 1.00 30.34 N ATOM 1889 CA ALA A 120 18.088 -2.166 -22.061 1.00 72.44 C ATOM 1890 C ALA A 120 18.549 -3.559 -21.646 1.00 22.12 C ATOM 1891 O ALA A 120 19.154 -4.285 -22.436 1.00 53.23 O ATOM 1892 CB ALA A 120 19.065 -1.560 -23.058 1.00 75.44 C ATOM 0 H ALA A 120 18.822 -0.942 -20.526 1.00 30.34 H new ATOM 0 HA ALA A 120 17.112 -2.262 -22.537 1.00 72.44 H new ATOM 0 HB1 ALA A 120 19.165 -2.222 -23.918 1.00 75.44 H new ATOM 0 HB2 ALA A 120 18.693 -0.590 -23.388 1.00 75.44 H new ATOM 0 HB3 ALA A 120 20.038 -1.433 -22.583 1.00 75.44 H new