USER MOD reduce.3.24.130724 H: found=0, std=0, add=977, rem=0, adj=22 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 166:sc= -0.264 (180deg=-0.208) USER MOD Set 1.2: A 106 THR OG1 : rot -86:sc= 1.27 USER MOD Set 1.3: A 107 THR OG1 : rot 100:sc= 1.2 USER MOD Single : A 3 SER OG : rot 56:sc= 0.398 USER MOD Single : A 4 ASN : amide:sc=-0.000111 X(o=-0.00011,f=0) USER MOD Single : A 10 LYS NZ :NH3+ 159:sc= -0.138 (180deg=-0.673) USER MOD Single : A 14 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.36) USER MOD Single : A 23 TYR OH : rot 150:sc= -0.658 USER MOD Single : A 24 LYS NZ :NH3+ -166:sc= -0.0874 (180deg=-0.393) USER MOD Single : A 26 HIS : no HD1:sc= -0.0139 X(o=-0.014,f=-0.067) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 151:sc= 0 (180deg=-0.424) USER MOD Single : A 31 LYS NZ :NH3+ 152:sc= -0.0564 (180deg=-0.467) USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=-0.049) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 160:sc= -0.0464 (180deg=-0.586) USER MOD Single : A 42 THR OG1 : rot 3:sc= 0.303 USER MOD Single : A 43 MET CE :methyl -135:sc= 0 (180deg=-1.12) USER MOD Single : A 44 ASN : amide:sc= -0.192 X(o=-0.19,f=0) USER MOD Single : A 49 LYS NZ :NH3+ -145:sc= 0.0896 (180deg=-0.604) USER MOD Single : A 57 GLN : amide:sc= -0.111 K(o=-0.11,f=-1.4!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ -156:sc= -0.44 (180deg=-1.46) USER MOD Single : A 73 SER OG : rot -85:sc= 1.21 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ -140:sc= 0 (180deg=-0.748) USER MOD Single : A 88 HIS : no HD1:sc= -0.102 X(o=-0.1,f=0) USER MOD Single : A 95 ASN : amide:sc= -0.064 K(o=-0.064,f=-1.5) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc=-0.00534 K(o=-0.0053,f=-0.73) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ -162:sc=-0.00104 (180deg=-0.446) USER MOD Single : A 111 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0241) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 HIS : no HD1:sc= -0.624 K(o=-0.62,f=-0.11) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 3 0.462 -2.377 0.923 1.00 30.54 N ATOM 2 CA SER A 3 1.503 -2.938 0.071 1.00 64.54 C ATOM 3 C SER A 3 1.015 -3.069 -1.369 1.00 32.32 C ATOM 4 O SER A 3 0.825 -4.175 -1.873 1.00 62.12 O ATOM 5 CB SER A 3 1.943 -4.306 0.598 1.00 14.33 C ATOM 6 OG SER A 3 0.845 -5.198 0.678 1.00 71.31 O ATOM 0 HA SER A 3 2.355 -2.259 0.088 1.00 64.54 H new ATOM 0 HB2 SER A 3 2.708 -4.723 -0.057 1.00 14.33 H new ATOM 0 HB3 SER A 3 2.395 -4.192 1.583 1.00 14.33 H new ATOM 0 HG SER A 3 0.412 -5.264 -0.199 1.00 71.31 H new ATOM 12 N ASN A 4 0.813 -1.931 -2.024 1.00 41.23 N ATOM 13 CA ASN A 4 0.346 -1.917 -3.406 1.00 0.32 C ATOM 14 C ASN A 4 1.339 -2.624 -4.323 1.00 31.40 C ATOM 15 O ASN A 4 0.959 -3.476 -5.126 1.00 43.01 O ATOM 16 CB ASN A 4 0.133 -0.478 -3.880 1.00 4.55 C ATOM 17 CG ASN A 4 -0.547 -0.409 -5.233 1.00 41.11 C ATOM 18 OD1 ASN A 4 -1.673 -0.878 -5.399 1.00 21.31 O ATOM 19 ND2 ASN A 4 0.136 0.178 -6.209 1.00 60.12 N ATOM 0 H ASN A 4 0.965 -1.007 -1.621 1.00 41.23 H new ATOM 0 HA ASN A 4 -0.604 -2.451 -3.447 1.00 0.32 H new ATOM 0 HB2 ASN A 4 -0.469 0.058 -3.146 1.00 4.55 H new ATOM 0 HB3 ASN A 4 1.096 0.030 -3.934 1.00 4.55 H new ATOM 0 HD21 ASN A 4 -0.270 0.254 -7.142 1.00 60.12 H new ATOM 0 HD22 ASN A 4 1.067 0.553 -6.026 1.00 60.12 H new ATOM 26 N ALA A 5 2.612 -2.266 -4.196 1.00 43.34 N ATOM 27 CA ALA A 5 3.660 -2.868 -5.011 1.00 41.24 C ATOM 28 C ALA A 5 4.552 -3.778 -4.174 1.00 60.11 C ATOM 29 O ALA A 5 5.635 -4.171 -4.606 1.00 74.25 O ATOM 30 CB ALA A 5 4.491 -1.786 -5.686 1.00 22.33 C ATOM 0 H ALA A 5 2.943 -1.562 -3.536 1.00 43.34 H new ATOM 0 HA ALA A 5 3.184 -3.477 -5.779 1.00 41.24 H new ATOM 0 HB1 ALA A 5 5.270 -2.250 -6.291 1.00 22.33 H new ATOM 0 HB2 ALA A 5 3.849 -1.179 -6.324 1.00 22.33 H new ATOM 0 HB3 ALA A 5 4.950 -1.153 -4.927 1.00 22.33 H new ATOM 36 N GLY A 6 4.090 -4.109 -2.972 1.00 71.21 N ATOM 37 CA GLY A 6 4.859 -4.970 -2.093 1.00 22.21 C ATOM 38 C GLY A 6 5.074 -6.352 -2.678 1.00 24.15 C ATOM 39 O GLY A 6 6.150 -6.932 -2.536 1.00 64.35 O ATOM 0 H GLY A 6 3.197 -3.796 -2.591 1.00 71.21 H new ATOM 0 HA2 GLY A 6 5.826 -4.509 -1.893 1.00 22.21 H new ATOM 0 HA3 GLY A 6 4.345 -5.060 -1.136 1.00 22.21 H new ATOM 43 N ALA A 7 4.047 -6.881 -3.334 1.00 65.45 N ATOM 44 CA ALA A 7 4.129 -8.204 -3.943 1.00 4.44 C ATOM 45 C ALA A 7 5.239 -8.259 -4.987 1.00 73.55 C ATOM 46 O ALA A 7 6.086 -9.153 -4.959 1.00 40.44 O ATOM 47 CB ALA A 7 2.794 -8.581 -4.567 1.00 22.12 C ATOM 0 H ALA A 7 3.148 -6.415 -3.458 1.00 65.45 H new ATOM 0 HA ALA A 7 4.367 -8.924 -3.160 1.00 4.44 H new ATOM 0 HB1 ALA A 7 2.870 -9.571 -5.018 1.00 22.12 H new ATOM 0 HB2 ALA A 7 2.022 -8.591 -3.797 1.00 22.12 H new ATOM 0 HB3 ALA A 7 2.532 -7.852 -5.334 1.00 22.12 H new ATOM 53 N ILE A 8 5.227 -7.301 -5.908 1.00 32.31 N ATOM 54 CA ILE A 8 6.233 -7.242 -6.961 1.00 75.34 C ATOM 55 C ILE A 8 7.633 -7.097 -6.377 1.00 3.34 C ATOM 56 O ILE A 8 8.595 -7.662 -6.896 1.00 5.53 O ATOM 57 CB ILE A 8 5.968 -6.073 -7.928 1.00 13.44 C ATOM 58 CG1 ILE A 8 4.573 -6.197 -8.544 1.00 33.33 C ATOM 59 CG2 ILE A 8 7.031 -6.032 -9.015 1.00 22.42 C ATOM 60 CD1 ILE A 8 3.548 -5.285 -7.908 1.00 14.50 C ATOM 0 H ILE A 8 4.532 -6.555 -5.946 1.00 32.31 H new ATOM 0 HA ILE A 8 6.168 -8.180 -7.512 1.00 75.34 H new ATOM 0 HB ILE A 8 6.015 -5.140 -7.366 1.00 13.44 H new ATOM 0 HG12 ILE A 8 4.634 -5.974 -9.609 1.00 33.33 H new ATOM 0 HG13 ILE A 8 4.235 -7.229 -8.453 1.00 33.33 H new ATOM 0 HG21 ILE A 8 6.829 -5.200 -9.690 1.00 22.42 H new ATOM 0 HG22 ILE A 8 8.012 -5.900 -8.559 1.00 22.42 H new ATOM 0 HG23 ILE A 8 7.014 -6.967 -9.576 1.00 22.42 H new ATOM 0 HD11 ILE A 8 2.583 -5.427 -8.395 1.00 14.50 H new ATOM 0 HD12 ILE A 8 3.458 -5.522 -6.848 1.00 14.50 H new ATOM 0 HD13 ILE A 8 3.863 -4.248 -8.022 1.00 14.50 H new ATOM 72 N ALA A 9 7.740 -6.337 -5.292 1.00 15.54 N ATOM 73 CA ALA A 9 9.022 -6.120 -4.633 1.00 52.33 C ATOM 74 C ALA A 9 9.496 -7.384 -3.926 1.00 24.34 C ATOM 75 O ALA A 9 10.697 -7.628 -3.807 1.00 22.55 O ATOM 76 CB ALA A 9 8.920 -4.967 -3.646 1.00 11.41 C ATOM 0 H ALA A 9 6.953 -5.861 -4.850 1.00 15.54 H new ATOM 0 HA ALA A 9 9.757 -5.865 -5.397 1.00 52.33 H new ATOM 0 HB1 ALA A 9 9.885 -4.816 -3.161 1.00 11.41 H new ATOM 0 HB2 ALA A 9 8.635 -4.058 -4.176 1.00 11.41 H new ATOM 0 HB3 ALA A 9 8.168 -5.199 -2.892 1.00 11.41 H new ATOM 82 N LYS A 10 8.546 -8.186 -3.456 1.00 63.04 N ATOM 83 CA LYS A 10 8.866 -9.427 -2.760 1.00 42.43 C ATOM 84 C LYS A 10 9.501 -10.436 -3.711 1.00 43.15 C ATOM 85 O LYS A 10 10.079 -11.434 -3.279 1.00 33.24 O ATOM 86 CB LYS A 10 7.604 -10.024 -2.134 1.00 62.20 C ATOM 87 CG LYS A 10 7.869 -11.263 -1.296 1.00 1.34 C ATOM 88 CD LYS A 10 6.751 -11.510 -0.297 1.00 54.03 C ATOM 89 CE LYS A 10 7.125 -12.593 0.703 1.00 64.25 C ATOM 90 NZ LYS A 10 8.357 -12.244 1.463 1.00 63.12 N ATOM 0 H LYS A 10 7.547 -7.998 -3.545 1.00 63.04 H new ATOM 0 HA LYS A 10 9.582 -9.198 -1.971 1.00 42.43 H new ATOM 0 HB2 LYS A 10 7.126 -9.269 -1.510 1.00 62.20 H new ATOM 0 HB3 LYS A 10 6.899 -10.275 -2.927 1.00 62.20 H new ATOM 0 HG2 LYS A 10 7.973 -12.130 -1.949 1.00 1.34 H new ATOM 0 HG3 LYS A 10 8.814 -11.149 -0.765 1.00 1.34 H new ATOM 0 HD2 LYS A 10 6.526 -10.585 0.234 1.00 54.03 H new ATOM 0 HD3 LYS A 10 5.845 -11.801 -0.828 1.00 54.03 H new ATOM 0 HE2 LYS A 10 6.300 -12.745 1.399 1.00 64.25 H new ATOM 0 HE3 LYS A 10 7.277 -13.536 0.178 1.00 64.25 H new ATOM 0 HZ1 LYS A 10 8.387 -12.792 2.346 1.00 63.12 H new ATOM 0 HZ2 LYS A 10 9.194 -12.467 0.888 1.00 63.12 H new ATOM 0 HZ3 LYS A 10 8.351 -11.228 1.686 1.00 63.12 H new ATOM 104 N LEU A 11 9.392 -10.169 -5.008 1.00 64.43 N ATOM 105 CA LEU A 11 9.958 -11.054 -6.021 1.00 73.03 C ATOM 106 C LEU A 11 11.454 -10.809 -6.184 1.00 24.31 C ATOM 107 O LEU A 11 12.194 -11.692 -6.620 1.00 31.34 O ATOM 108 CB LEU A 11 9.247 -10.848 -7.360 1.00 63.12 C ATOM 109 CG LEU A 11 7.739 -10.609 -7.290 1.00 35.52 C ATOM 110 CD1 LEU A 11 7.184 -10.289 -8.669 1.00 71.01 C ATOM 111 CD2 LEU A 11 7.034 -11.821 -6.698 1.00 71.50 C ATOM 0 H LEU A 11 8.917 -9.348 -5.383 1.00 64.43 H new ATOM 0 HA LEU A 11 9.811 -12.083 -5.692 1.00 73.03 H new ATOM 0 HB2 LEU A 11 9.706 -9.998 -7.865 1.00 63.12 H new ATOM 0 HB3 LEU A 11 9.427 -11.724 -7.983 1.00 63.12 H new ATOM 0 HG LEU A 11 7.556 -9.753 -6.640 1.00 35.52 H new ATOM 0 HD11 LEU A 11 6.109 -10.122 -8.599 1.00 71.01 H new ATOM 0 HD12 LEU A 11 7.666 -9.391 -9.056 1.00 71.01 H new ATOM 0 HD13 LEU A 11 7.378 -11.124 -9.342 1.00 71.01 H new ATOM 0 HD21 LEU A 11 5.961 -11.633 -6.656 1.00 71.50 H new ATOM 0 HD22 LEU A 11 7.225 -12.694 -7.322 1.00 71.50 H new ATOM 0 HD23 LEU A 11 7.410 -12.005 -5.692 1.00 71.50 H new ATOM 123 N ILE A 12 11.894 -9.607 -5.829 1.00 50.41 N ATOM 124 CA ILE A 12 13.303 -9.248 -5.933 1.00 11.43 C ATOM 125 C ILE A 12 14.183 -10.259 -5.206 1.00 12.23 C ATOM 126 O ILE A 12 15.078 -10.871 -5.787 1.00 65.25 O ATOM 127 CB ILE A 12 13.570 -7.844 -5.357 1.00 70.23 C ATOM 128 CG1 ILE A 12 13.371 -6.780 -6.438 1.00 42.32 C ATOM 129 CG2 ILE A 12 14.976 -7.767 -4.782 1.00 2.51 C ATOM 130 CD1 ILE A 12 14.387 -6.857 -7.556 1.00 50.14 C ATOM 0 H ILE A 12 11.295 -8.865 -5.467 1.00 50.41 H new ATOM 0 HA ILE A 12 13.552 -9.250 -6.994 1.00 11.43 H new ATOM 0 HB ILE A 12 12.859 -7.655 -4.553 1.00 70.23 H new ATOM 0 HG12 ILE A 12 12.371 -6.884 -6.859 1.00 42.32 H new ATOM 0 HG13 ILE A 12 13.422 -5.793 -5.979 1.00 42.32 H new ATOM 0 HG21 ILE A 12 15.150 -6.769 -4.379 1.00 2.51 H new ATOM 0 HG22 ILE A 12 15.085 -8.504 -3.986 1.00 2.51 H new ATOM 0 HG23 ILE A 12 15.702 -7.972 -5.568 1.00 2.51 H new ATOM 0 HD11 ILE A 12 14.185 -6.073 -8.286 1.00 50.14 H new ATOM 0 HD12 ILE A 12 15.389 -6.723 -7.147 1.00 50.14 H new ATOM 0 HD13 ILE A 12 14.321 -7.831 -8.041 1.00 50.14 H new ATOM 142 N PRO A 13 13.922 -10.441 -3.903 1.00 3.25 N ATOM 143 CA PRO A 13 14.678 -11.379 -3.068 1.00 30.32 C ATOM 144 C PRO A 13 14.394 -12.834 -3.428 1.00 43.40 C ATOM 145 O PRO A 13 15.236 -13.710 -3.227 1.00 51.53 O ATOM 146 CB PRO A 13 14.183 -11.073 -1.652 1.00 50.21 C ATOM 147 CG PRO A 13 12.822 -10.497 -1.843 1.00 21.40 C ATOM 148 CD PRO A 13 12.870 -9.745 -3.144 1.00 15.31 C ATOM 0 HA PRO A 13 15.754 -11.259 -3.193 1.00 30.32 H new ATOM 0 HB2 PRO A 13 14.149 -11.975 -1.041 1.00 50.21 H new ATOM 0 HB3 PRO A 13 14.843 -10.369 -1.145 1.00 50.21 H new ATOM 0 HG2 PRO A 13 12.067 -11.282 -1.874 1.00 21.40 H new ATOM 0 HG3 PRO A 13 12.559 -9.834 -1.018 1.00 21.40 H new ATOM 0 HD2 PRO A 13 11.912 -9.778 -3.663 1.00 15.31 H new ATOM 0 HD3 PRO A 13 13.114 -8.694 -2.991 1.00 15.31 H new ATOM 156 N LYS A 14 13.204 -13.085 -3.962 1.00 13.43 N ATOM 157 CA LYS A 14 12.809 -14.433 -4.352 1.00 54.32 C ATOM 158 C LYS A 14 13.837 -15.050 -5.294 1.00 45.11 C ATOM 159 O LYS A 14 14.232 -16.205 -5.128 1.00 3.21 O ATOM 160 CB LYS A 14 11.435 -14.409 -5.026 1.00 14.32 C ATOM 161 CG LYS A 14 10.291 -14.753 -4.087 1.00 60.14 C ATOM 162 CD LYS A 14 9.189 -15.513 -4.807 1.00 0.24 C ATOM 163 CE LYS A 14 8.470 -14.630 -5.816 1.00 24.15 C ATOM 164 NZ LYS A 14 7.080 -15.097 -6.070 1.00 34.51 N ATOM 0 H LYS A 14 12.496 -12.372 -4.135 1.00 13.43 H new ATOM 0 HA LYS A 14 12.755 -15.044 -3.451 1.00 54.32 H new ATOM 0 HB2 LYS A 14 11.263 -13.418 -5.447 1.00 14.32 H new ATOM 0 HB3 LYS A 14 11.435 -15.113 -5.858 1.00 14.32 H new ATOM 0 HG2 LYS A 14 10.667 -15.353 -3.258 1.00 60.14 H new ATOM 0 HG3 LYS A 14 9.883 -13.838 -3.658 1.00 60.14 H new ATOM 0 HD2 LYS A 14 9.615 -16.377 -5.317 1.00 0.24 H new ATOM 0 HD3 LYS A 14 8.472 -15.893 -4.079 1.00 0.24 H new ATOM 0 HE2 LYS A 14 8.447 -13.604 -5.449 1.00 24.15 H new ATOM 0 HE3 LYS A 14 9.027 -14.621 -6.753 1.00 24.15 H new ATOM 0 HZ1 LYS A 14 6.780 -14.794 -7.018 1.00 34.51 H new ATOM 0 HZ2 LYS A 14 7.046 -16.135 -6.012 1.00 34.51 H new ATOM 0 HZ3 LYS A 14 6.441 -14.689 -5.358 1.00 34.51 H new ATOM 178 N LEU A 15 14.269 -14.274 -6.282 1.00 2.42 N ATOM 179 CA LEU A 15 15.254 -14.744 -7.250 1.00 2.43 C ATOM 180 C LEU A 15 16.672 -14.562 -6.716 1.00 54.23 C ATOM 181 O LEU A 15 17.536 -15.414 -6.918 1.00 13.02 O ATOM 182 CB LEU A 15 15.095 -13.994 -8.574 1.00 23.13 C ATOM 183 CG LEU A 15 13.745 -14.149 -9.275 1.00 0.45 C ATOM 184 CD1 LEU A 15 13.399 -12.887 -10.050 1.00 71.22 C ATOM 185 CD2 LEU A 15 13.759 -15.358 -10.198 1.00 52.11 C ATOM 0 H LEU A 15 13.953 -13.316 -6.434 1.00 2.42 H new ATOM 0 HA LEU A 15 15.083 -15.807 -7.419 1.00 2.43 H new ATOM 0 HB2 LEU A 15 15.267 -12.933 -8.391 1.00 23.13 H new ATOM 0 HB3 LEU A 15 15.876 -14.331 -9.255 1.00 23.13 H new ATOM 0 HG LEU A 15 12.978 -14.306 -8.516 1.00 0.45 H new ATOM 0 HD11 LEU A 15 12.435 -13.015 -10.543 1.00 71.22 H new ATOM 0 HD12 LEU A 15 13.346 -12.042 -9.364 1.00 71.22 H new ATOM 0 HD13 LEU A 15 14.167 -12.698 -10.800 1.00 71.22 H new ATOM 0 HD21 LEU A 15 12.790 -15.453 -10.688 1.00 52.11 H new ATOM 0 HD22 LEU A 15 14.536 -15.231 -10.952 1.00 52.11 H new ATOM 0 HD23 LEU A 15 13.961 -16.258 -9.616 1.00 52.11 H new ATOM 197 N GLY A 16 16.903 -13.445 -6.032 1.00 74.14 N ATOM 198 CA GLY A 16 18.216 -13.173 -5.479 1.00 10.35 C ATOM 199 C GLY A 16 18.715 -14.296 -4.591 1.00 43.51 C ATOM 200 O GLY A 16 19.920 -14.517 -4.479 1.00 5.41 O ATOM 0 H GLY A 16 16.204 -12.724 -5.851 1.00 74.14 H new ATOM 0 HA2 GLY A 16 18.924 -13.015 -6.293 1.00 10.35 H new ATOM 0 HA3 GLY A 16 18.180 -12.248 -4.904 1.00 10.35 H new ATOM 204 N GLU A 17 17.786 -15.005 -3.958 1.00 23.01 N ATOM 205 CA GLU A 17 18.140 -16.109 -3.074 1.00 22.32 C ATOM 206 C GLU A 17 18.901 -17.192 -3.833 1.00 63.14 C ATOM 207 O GLU A 17 19.779 -17.855 -3.279 1.00 61.02 O ATOM 208 CB GLU A 17 16.883 -16.705 -2.437 1.00 71.43 C ATOM 209 CG GLU A 17 17.170 -17.847 -1.477 1.00 32.14 C ATOM 210 CD GLU A 17 15.951 -18.711 -1.217 1.00 20.21 C ATOM 211 OE1 GLU A 17 15.101 -18.306 -0.397 1.00 1.45 O ATOM 212 OE2 GLU A 17 15.847 -19.792 -1.833 1.00 61.12 O ATOM 0 H GLU A 17 16.784 -14.835 -4.041 1.00 23.01 H new ATOM 0 HA GLU A 17 18.786 -15.718 -2.288 1.00 22.32 H new ATOM 0 HB2 GLU A 17 16.349 -15.919 -1.904 1.00 71.43 H new ATOM 0 HB3 GLU A 17 16.221 -17.062 -3.226 1.00 71.43 H new ATOM 0 HG2 GLU A 17 17.970 -18.466 -1.884 1.00 32.14 H new ATOM 0 HG3 GLU A 17 17.531 -17.440 -0.532 1.00 32.14 H new ATOM 219 N LEU A 18 18.558 -17.366 -5.105 1.00 23.31 N ATOM 220 CA LEU A 18 19.208 -18.369 -5.942 1.00 50.22 C ATOM 221 C LEU A 18 20.657 -17.986 -6.226 1.00 11.45 C ATOM 222 O LEU A 18 21.497 -18.846 -6.495 1.00 14.33 O ATOM 223 CB LEU A 18 18.446 -18.535 -7.258 1.00 13.40 C ATOM 224 CG LEU A 18 17.504 -19.736 -7.341 1.00 73.21 C ATOM 225 CD1 LEU A 18 18.279 -21.034 -7.178 1.00 71.45 C ATOM 226 CD2 LEU A 18 16.410 -19.630 -6.288 1.00 61.43 C ATOM 0 H LEU A 18 17.834 -16.826 -5.579 1.00 23.31 H new ATOM 0 HA LEU A 18 19.201 -19.316 -5.402 1.00 50.22 H new ATOM 0 HB2 LEU A 18 17.865 -17.630 -7.435 1.00 13.40 H new ATOM 0 HB3 LEU A 18 19.172 -18.611 -8.068 1.00 13.40 H new ATOM 0 HG LEU A 18 17.035 -19.738 -8.325 1.00 73.21 H new ATOM 0 HD11 LEU A 18 17.592 -21.878 -7.240 1.00 71.45 H new ATOM 0 HD12 LEU A 18 19.025 -21.114 -7.969 1.00 71.45 H new ATOM 0 HD13 LEU A 18 18.777 -21.041 -6.208 1.00 71.45 H new ATOM 0 HD21 LEU A 18 15.749 -20.493 -6.362 1.00 61.43 H new ATOM 0 HD22 LEU A 18 16.861 -19.602 -5.296 1.00 61.43 H new ATOM 0 HD23 LEU A 18 15.835 -18.718 -6.451 1.00 61.43 H new ATOM 238 N LEU A 19 20.944 -16.690 -6.161 1.00 61.21 N ATOM 239 CA LEU A 19 22.293 -16.192 -6.408 1.00 71.35 C ATOM 240 C LEU A 19 23.044 -15.979 -5.098 1.00 34.41 C ATOM 241 O LEU A 19 24.243 -15.701 -5.095 1.00 72.22 O ATOM 242 CB LEU A 19 22.238 -14.882 -7.196 1.00 73.45 C ATOM 243 CG LEU A 19 22.440 -14.999 -8.708 1.00 20.24 C ATOM 244 CD1 LEU A 19 21.170 -15.497 -9.379 1.00 53.24 C ATOM 245 CD2 LEU A 19 22.866 -13.661 -9.294 1.00 23.04 C ATOM 0 H LEU A 19 20.261 -15.966 -5.939 1.00 61.21 H new ATOM 0 HA LEU A 19 22.827 -16.940 -6.994 1.00 71.35 H new ATOM 0 HB2 LEU A 19 21.271 -14.412 -7.014 1.00 73.45 H new ATOM 0 HB3 LEU A 19 22.999 -14.210 -6.799 1.00 73.45 H new ATOM 0 HG LEU A 19 23.233 -15.723 -8.895 1.00 20.24 H new ATOM 0 HD11 LEU A 19 21.333 -15.574 -10.454 1.00 53.24 H new ATOM 0 HD12 LEU A 19 20.908 -16.477 -8.981 1.00 53.24 H new ATOM 0 HD13 LEU A 19 20.357 -14.797 -9.184 1.00 53.24 H new ATOM 0 HD21 LEU A 19 23.005 -13.763 -10.370 1.00 23.04 H new ATOM 0 HD22 LEU A 19 22.096 -12.916 -9.097 1.00 23.04 H new ATOM 0 HD23 LEU A 19 23.803 -13.345 -8.835 1.00 23.04 H new ATOM 257 N VAL A 20 22.330 -16.114 -3.984 1.00 50.14 N ATOM 258 CA VAL A 20 22.929 -15.940 -2.667 1.00 1.33 C ATOM 259 C VAL A 20 23.539 -17.243 -2.164 1.00 24.03 C ATOM 260 O VAL A 20 24.515 -17.235 -1.415 1.00 22.44 O ATOM 261 CB VAL A 20 21.894 -15.441 -1.641 1.00 51.10 C ATOM 262 CG1 VAL A 20 22.011 -16.222 -0.341 1.00 1.21 C ATOM 263 CG2 VAL A 20 22.065 -13.950 -1.394 1.00 50.41 C ATOM 0 H VAL A 20 21.336 -16.343 -3.968 1.00 50.14 H new ATOM 0 HA VAL A 20 23.714 -15.192 -2.773 1.00 1.33 H new ATOM 0 HB VAL A 20 20.896 -15.607 -2.048 1.00 51.10 H new ATOM 0 HG11 VAL A 20 21.272 -15.855 0.371 1.00 1.21 H new ATOM 0 HG12 VAL A 20 21.834 -17.280 -0.535 1.00 1.21 H new ATOM 0 HG13 VAL A 20 23.011 -16.091 0.073 1.00 1.21 H new ATOM 0 HG21 VAL A 20 21.326 -13.615 -0.667 1.00 50.41 H new ATOM 0 HG22 VAL A 20 23.066 -13.758 -1.009 1.00 50.41 H new ATOM 0 HG23 VAL A 20 21.926 -13.408 -2.329 1.00 50.41 H new ATOM 273 N GLY A 21 22.957 -18.363 -2.582 1.00 23.01 N ATOM 274 CA GLY A 21 23.458 -19.660 -2.164 1.00 55.32 C ATOM 275 C GLY A 21 22.366 -20.549 -1.603 1.00 73.14 C ATOM 276 O GLY A 21 22.522 -21.768 -1.539 1.00 51.11 O ATOM 0 H GLY A 21 22.148 -18.396 -3.202 1.00 23.01 H new ATOM 0 HA2 GLY A 21 23.926 -20.157 -3.014 1.00 55.32 H new ATOM 0 HA3 GLY A 21 24.233 -19.521 -1.410 1.00 55.32 H new ATOM 280 N GLU A 22 21.258 -19.938 -1.195 1.00 71.02 N ATOM 281 CA GLU A 22 20.137 -20.684 -0.634 1.00 43.35 C ATOM 282 C GLU A 22 19.370 -21.419 -1.730 1.00 43.30 C ATOM 283 O GLU A 22 18.298 -20.984 -2.150 1.00 73.14 O ATOM 284 CB GLU A 22 19.195 -19.742 0.119 1.00 63.21 C ATOM 285 CG GLU A 22 19.452 -19.694 1.616 1.00 43.33 C ATOM 286 CD GLU A 22 18.450 -18.826 2.352 1.00 73.51 C ATOM 287 OE1 GLU A 22 17.320 -18.664 1.846 1.00 71.43 O ATOM 288 OE2 GLU A 22 18.796 -18.310 3.435 1.00 33.02 O ATOM 0 H GLU A 22 21.113 -18.930 -1.242 1.00 71.02 H new ATOM 0 HA GLU A 22 20.536 -21.421 0.063 1.00 43.35 H new ATOM 0 HB2 GLU A 22 19.295 -18.737 -0.291 1.00 63.21 H new ATOM 0 HB3 GLU A 22 18.166 -20.056 -0.055 1.00 63.21 H new ATOM 0 HG2 GLU A 22 19.416 -20.706 2.020 1.00 43.33 H new ATOM 0 HG3 GLU A 22 20.458 -19.314 1.796 1.00 43.33 H new ATOM 295 N TYR A 23 19.928 -22.534 -2.188 1.00 41.20 N ATOM 296 CA TYR A 23 19.299 -23.328 -3.237 1.00 23.14 C ATOM 297 C TYR A 23 19.998 -24.675 -3.393 1.00 21.33 C ATOM 298 O TYR A 23 21.213 -24.782 -3.223 1.00 51.20 O ATOM 299 CB TYR A 23 19.326 -22.570 -4.565 1.00 31.20 C ATOM 300 CG TYR A 23 20.709 -22.446 -5.163 1.00 51.34 C ATOM 301 CD1 TYR A 23 21.586 -21.457 -4.735 1.00 51.31 C ATOM 302 CD2 TYR A 23 21.138 -23.316 -6.158 1.00 22.14 C ATOM 303 CE1 TYR A 23 22.850 -21.339 -5.279 1.00 42.54 C ATOM 304 CE2 TYR A 23 22.401 -23.206 -6.706 1.00 61.35 C ATOM 305 CZ TYR A 23 23.253 -22.216 -6.264 1.00 43.03 C ATOM 306 OH TYR A 23 24.512 -22.102 -6.810 1.00 34.44 O ATOM 0 H TYR A 23 20.814 -22.908 -1.850 1.00 41.20 H new ATOM 0 HA TYR A 23 18.263 -23.508 -2.950 1.00 23.14 H new ATOM 0 HB2 TYR A 23 18.676 -23.078 -5.277 1.00 31.20 H new ATOM 0 HB3 TYR A 23 18.914 -21.572 -4.413 1.00 31.20 H new ATOM 0 HD1 TYR A 23 21.274 -20.769 -3.964 1.00 51.31 H new ATOM 0 HD2 TYR A 23 20.473 -24.091 -6.509 1.00 22.14 H new ATOM 0 HE1 TYR A 23 23.519 -20.564 -4.935 1.00 42.54 H new ATOM 0 HE2 TYR A 23 22.720 -23.892 -7.477 1.00 61.35 H new ATOM 0 HH TYR A 23 24.827 -22.986 -7.094 1.00 34.44 H new ATOM 316 N LYS A 24 19.221 -25.703 -3.718 1.00 64.00 N ATOM 317 CA LYS A 24 19.763 -27.045 -3.900 1.00 11.51 C ATOM 318 C LYS A 24 19.815 -27.414 -5.379 1.00 21.42 C ATOM 319 O LYS A 24 19.203 -28.394 -5.806 1.00 61.12 O ATOM 320 CB LYS A 24 18.916 -28.066 -3.137 1.00 62.24 C ATOM 321 CG LYS A 24 19.294 -28.196 -1.672 1.00 34.31 C ATOM 322 CD LYS A 24 18.452 -29.249 -0.971 1.00 14.14 C ATOM 323 CE LYS A 24 18.821 -29.369 0.500 1.00 30.10 C ATOM 324 NZ LYS A 24 20.280 -29.598 0.688 1.00 23.44 N ATOM 0 H LYS A 24 18.214 -25.633 -3.861 1.00 64.00 H new ATOM 0 HA LYS A 24 20.779 -27.057 -3.505 1.00 11.51 H new ATOM 0 HB2 LYS A 24 17.866 -27.781 -3.209 1.00 62.24 H new ATOM 0 HB3 LYS A 24 19.016 -29.040 -3.617 1.00 62.24 H new ATOM 0 HG2 LYS A 24 20.349 -28.458 -1.589 1.00 34.31 H new ATOM 0 HG3 LYS A 24 19.164 -27.235 -1.175 1.00 34.31 H new ATOM 0 HD2 LYS A 24 17.397 -28.993 -1.063 1.00 14.14 H new ATOM 0 HD3 LYS A 24 18.590 -30.213 -1.462 1.00 14.14 H new ATOM 0 HE2 LYS A 24 18.525 -28.460 1.024 1.00 30.10 H new ATOM 0 HE3 LYS A 24 18.263 -30.191 0.949 1.00 30.10 H new ATOM 0 HZ1 LYS A 24 20.460 -29.908 1.664 1.00 23.44 H new ATOM 0 HZ2 LYS A 24 20.604 -30.332 0.026 1.00 23.44 H new ATOM 0 HZ3 LYS A 24 20.797 -28.714 0.505 1.00 23.44 H new ATOM 338 N LEU A 25 20.550 -26.626 -6.155 1.00 62.13 N ATOM 339 CA LEU A 25 20.684 -26.872 -7.587 1.00 52.31 C ATOM 340 C LEU A 25 22.123 -26.655 -8.045 1.00 33.42 C ATOM 341 O LEU A 25 22.963 -26.180 -7.281 1.00 4.01 O ATOM 342 CB LEU A 25 19.744 -25.955 -8.372 1.00 13.03 C ATOM 343 CG LEU A 25 18.324 -25.820 -7.821 1.00 54.01 C ATOM 344 CD1 LEU A 25 17.608 -24.647 -8.473 1.00 34.21 C ATOM 345 CD2 LEU A 25 17.544 -27.109 -8.035 1.00 72.02 C ATOM 0 H LEU A 25 21.062 -25.811 -5.817 1.00 62.13 H new ATOM 0 HA LEU A 25 20.414 -27.910 -7.779 1.00 52.31 H new ATOM 0 HB2 LEU A 25 20.191 -24.962 -8.417 1.00 13.03 H new ATOM 0 HB3 LEU A 25 19.682 -26.323 -9.396 1.00 13.03 H new ATOM 0 HG LEU A 25 18.387 -25.631 -6.749 1.00 54.01 H new ATOM 0 HD11 LEU A 25 16.599 -24.566 -8.069 1.00 34.21 H new ATOM 0 HD12 LEU A 25 18.156 -23.727 -8.268 1.00 34.21 H new ATOM 0 HD13 LEU A 25 17.556 -24.806 -9.550 1.00 34.21 H new ATOM 0 HD21 LEU A 25 16.536 -26.995 -7.637 1.00 72.02 H new ATOM 0 HD22 LEU A 25 17.490 -27.329 -9.101 1.00 72.02 H new ATOM 0 HD23 LEU A 25 18.047 -27.928 -7.521 1.00 72.02 H new ATOM 357 N HIS A 26 22.399 -27.006 -9.297 1.00 10.30 N ATOM 358 CA HIS A 26 23.736 -26.847 -9.858 1.00 21.22 C ATOM 359 C HIS A 26 24.133 -25.375 -9.909 1.00 11.24 C ATOM 360 O HIS A 26 23.278 -24.489 -9.889 1.00 73.20 O ATOM 361 CB HIS A 26 23.799 -27.453 -11.260 1.00 71.02 C ATOM 362 CG HIS A 26 24.219 -28.890 -11.273 1.00 65.45 C ATOM 363 ND1 HIS A 26 23.929 -29.769 -10.251 1.00 75.14 N ATOM 364 CD2 HIS A 26 24.912 -29.602 -12.194 1.00 13.13 C ATOM 365 CE1 HIS A 26 24.425 -30.958 -10.542 1.00 21.45 C ATOM 366 NE2 HIS A 26 25.026 -30.884 -11.715 1.00 43.12 N ATOM 0 H HIS A 26 21.715 -27.402 -9.942 1.00 10.30 H new ATOM 0 HA HIS A 26 24.439 -27.372 -9.211 1.00 21.22 H new ATOM 0 HB2 HIS A 26 22.819 -27.365 -11.729 1.00 71.02 H new ATOM 0 HB3 HIS A 26 24.496 -26.874 -11.866 1.00 71.02 H new ATOM 0 HD2 HIS A 26 25.302 -29.231 -13.130 1.00 13.13 H new ATOM 0 HE1 HIS A 26 24.351 -31.841 -9.925 1.00 21.45 H new ATOM 0 HE2 HIS A 26 25.498 -31.654 -12.189 1.00 43.12 H new ATOM 374 N LYS A 27 25.435 -25.120 -9.973 1.00 63.01 N ATOM 375 CA LYS A 27 25.947 -23.756 -10.027 1.00 53.42 C ATOM 376 C LYS A 27 25.606 -23.099 -11.361 1.00 61.44 C ATOM 377 O LYS A 27 25.517 -21.876 -11.458 1.00 32.24 O ATOM 378 CB LYS A 27 27.462 -23.748 -9.815 1.00 63.44 C ATOM 379 CG LYS A 27 27.872 -23.630 -8.358 1.00 2.33 C ATOM 380 CD LYS A 27 27.910 -24.988 -7.677 1.00 3.42 C ATOM 381 CE LYS A 27 29.289 -25.623 -7.777 1.00 13.30 C ATOM 382 NZ LYS A 27 29.400 -26.843 -6.930 1.00 42.42 N ATOM 0 H LYS A 27 26.156 -25.841 -9.989 1.00 63.01 H new ATOM 0 HA LYS A 27 25.472 -23.185 -9.229 1.00 53.42 H new ATOM 0 HB2 LYS A 27 27.883 -24.664 -10.229 1.00 63.44 H new ATOM 0 HB3 LYS A 27 27.894 -22.918 -10.374 1.00 63.44 H new ATOM 0 HG2 LYS A 27 28.854 -23.162 -8.292 1.00 2.33 H new ATOM 0 HG3 LYS A 27 27.172 -22.979 -7.834 1.00 2.33 H new ATOM 0 HD2 LYS A 27 27.634 -24.878 -6.628 1.00 3.42 H new ATOM 0 HD3 LYS A 27 27.171 -25.646 -8.134 1.00 3.42 H new ATOM 0 HE2 LYS A 27 29.495 -25.882 -8.816 1.00 13.30 H new ATOM 0 HE3 LYS A 27 30.045 -24.899 -7.473 1.00 13.30 H new ATOM 0 HZ1 LYS A 27 30.354 -27.246 -7.025 1.00 42.42 H new ATOM 0 HZ2 LYS A 27 29.228 -26.592 -5.935 1.00 42.42 H new ATOM 0 HZ3 LYS A 27 28.696 -27.544 -7.237 1.00 42.42 H new ATOM 396 N GLY A 28 25.415 -23.922 -12.389 1.00 4.42 N ATOM 397 CA GLY A 28 25.085 -23.402 -13.703 1.00 63.32 C ATOM 398 C GLY A 28 23.628 -23.000 -13.818 1.00 45.14 C ATOM 399 O GLY A 28 23.271 -22.167 -14.652 1.00 32.14 O ATOM 0 H GLY A 28 25.483 -24.938 -12.335 1.00 4.42 H new ATOM 0 HA2 GLY A 28 25.715 -22.539 -13.917 1.00 63.32 H new ATOM 0 HA3 GLY A 28 25.311 -24.157 -14.456 1.00 63.32 H new ATOM 403 N VAL A 29 22.784 -23.594 -12.981 1.00 10.31 N ATOM 404 CA VAL A 29 21.357 -23.293 -12.993 1.00 4.13 C ATOM 405 C VAL A 29 21.086 -21.896 -12.446 1.00 33.02 C ATOM 406 O VAL A 29 20.395 -21.094 -13.075 1.00 35.34 O ATOM 407 CB VAL A 29 20.560 -24.320 -12.166 1.00 45.24 C ATOM 408 CG1 VAL A 29 19.078 -23.981 -12.180 1.00 74.22 C ATOM 409 CG2 VAL A 29 20.799 -25.727 -12.692 1.00 44.05 C ATOM 0 H VAL A 29 23.063 -24.286 -12.286 1.00 10.31 H new ATOM 0 HA VAL A 29 21.031 -23.343 -14.032 1.00 4.13 H new ATOM 0 HB VAL A 29 20.908 -24.279 -11.134 1.00 45.24 H new ATOM 0 HG11 VAL A 29 18.531 -24.717 -11.591 1.00 74.22 H new ATOM 0 HG12 VAL A 29 18.927 -22.990 -11.753 1.00 74.22 H new ATOM 0 HG13 VAL A 29 18.712 -23.993 -13.207 1.00 74.22 H new ATOM 0 HG21 VAL A 29 20.229 -26.440 -12.097 1.00 44.05 H new ATOM 0 HG22 VAL A 29 20.479 -25.786 -13.732 1.00 44.05 H new ATOM 0 HG23 VAL A 29 21.861 -25.965 -12.625 1.00 44.05 H new ATOM 419 N LYS A 30 21.635 -21.610 -11.270 1.00 53.12 N ATOM 420 CA LYS A 30 21.454 -20.309 -10.637 1.00 41.23 C ATOM 421 C LYS A 30 21.973 -19.190 -11.535 1.00 73.23 C ATOM 422 O LYS A 30 21.491 -18.059 -11.476 1.00 51.35 O ATOM 423 CB LYS A 30 22.176 -20.270 -9.288 1.00 71.34 C ATOM 424 CG LYS A 30 23.686 -20.155 -9.409 1.00 55.54 C ATOM 425 CD LYS A 30 24.149 -18.717 -9.248 1.00 42.52 C ATOM 426 CE LYS A 30 25.460 -18.636 -8.482 1.00 25.34 C ATOM 427 NZ LYS A 30 26.412 -17.679 -9.109 1.00 43.54 N ATOM 0 H LYS A 30 22.209 -22.262 -10.736 1.00 53.12 H new ATOM 0 HA LYS A 30 20.387 -20.157 -10.476 1.00 41.23 H new ATOM 0 HB2 LYS A 30 21.801 -19.426 -8.709 1.00 71.34 H new ATOM 0 HB3 LYS A 30 21.933 -21.173 -8.729 1.00 71.34 H new ATOM 0 HG2 LYS A 30 24.161 -20.778 -8.652 1.00 55.54 H new ATOM 0 HG3 LYS A 30 24.004 -20.534 -10.380 1.00 55.54 H new ATOM 0 HD2 LYS A 30 24.272 -18.261 -10.230 1.00 42.52 H new ATOM 0 HD3 LYS A 30 23.384 -18.144 -8.724 1.00 42.52 H new ATOM 0 HE2 LYS A 30 25.262 -18.330 -7.455 1.00 25.34 H new ATOM 0 HE3 LYS A 30 25.916 -19.625 -8.438 1.00 25.34 H new ATOM 0 HZ1 LYS A 30 27.033 -17.277 -8.378 1.00 43.54 H new ATOM 0 HZ2 LYS A 30 26.988 -18.177 -9.817 1.00 43.54 H new ATOM 0 HZ3 LYS A 30 25.881 -16.913 -9.571 1.00 43.54 H new ATOM 441 N LYS A 31 22.957 -19.514 -12.368 1.00 14.05 N ATOM 442 CA LYS A 31 23.539 -18.538 -13.281 1.00 3.13 C ATOM 443 C LYS A 31 22.462 -17.889 -14.144 1.00 33.32 C ATOM 444 O LYS A 31 22.548 -16.708 -14.477 1.00 32.23 O ATOM 445 CB LYS A 31 24.588 -19.206 -14.172 1.00 43.14 C ATOM 446 CG LYS A 31 26.007 -18.738 -13.898 1.00 20.13 C ATOM 447 CD LYS A 31 26.495 -19.206 -12.537 1.00 14.44 C ATOM 448 CE LYS A 31 27.603 -20.239 -12.666 1.00 71.14 C ATOM 449 NZ LYS A 31 28.802 -19.683 -13.353 1.00 21.45 N ATOM 0 H LYS A 31 23.368 -20.446 -12.429 1.00 14.05 H new ATOM 0 HA LYS A 31 24.018 -17.761 -12.685 1.00 3.13 H new ATOM 0 HB2 LYS A 31 24.537 -20.286 -14.032 1.00 43.14 H new ATOM 0 HB3 LYS A 31 24.345 -19.008 -15.216 1.00 43.14 H new ATOM 0 HG2 LYS A 31 26.672 -19.116 -14.674 1.00 20.13 H new ATOM 0 HG3 LYS A 31 26.048 -17.650 -13.946 1.00 20.13 H new ATOM 0 HD2 LYS A 31 26.858 -18.351 -11.966 1.00 14.44 H new ATOM 0 HD3 LYS A 31 25.662 -19.632 -11.978 1.00 14.44 H new ATOM 0 HE2 LYS A 31 27.885 -20.595 -11.675 1.00 71.14 H new ATOM 0 HE3 LYS A 31 27.233 -21.101 -13.221 1.00 71.14 H new ATOM 0 HZ1 LYS A 31 29.653 -20.184 -13.026 1.00 21.45 H new ATOM 0 HZ2 LYS A 31 28.701 -19.806 -14.381 1.00 21.45 H new ATOM 0 HZ3 LYS A 31 28.890 -18.670 -13.132 1.00 21.45 H new ATOM 463 N ASN A 32 21.447 -18.670 -14.501 1.00 40.33 N ATOM 464 CA ASN A 32 20.352 -18.170 -15.325 1.00 20.30 C ATOM 465 C ASN A 32 19.403 -17.305 -14.502 1.00 10.24 C ATOM 466 O ASN A 32 18.815 -16.351 -15.013 1.00 71.41 O ATOM 467 CB ASN A 32 19.584 -19.336 -15.950 1.00 72.34 C ATOM 468 CG ASN A 32 18.731 -18.902 -17.127 1.00 30.12 C ATOM 469 OD1 ASN A 32 17.660 -18.321 -16.950 1.00 42.25 O ATOM 470 ND2 ASN A 32 19.203 -19.184 -18.336 1.00 3.54 N ATOM 0 H ASN A 32 21.360 -19.650 -14.233 1.00 40.33 H new ATOM 0 HA ASN A 32 20.778 -17.557 -16.119 1.00 20.30 H new ATOM 0 HB2 ASN A 32 20.290 -20.098 -16.278 1.00 72.34 H new ATOM 0 HB3 ASN A 32 18.948 -19.796 -15.194 1.00 72.34 H new ATOM 0 HD21 ASN A 32 18.673 -18.917 -19.165 1.00 3.54 H new ATOM 0 HD22 ASN A 32 20.096 -19.667 -18.435 1.00 3.54 H new ATOM 477 N ILE A 33 19.260 -17.643 -13.225 1.00 34.41 N ATOM 478 CA ILE A 33 18.384 -16.896 -12.331 1.00 32.43 C ATOM 479 C ILE A 33 18.721 -15.409 -12.347 1.00 34.30 C ATOM 480 O ILE A 33 17.843 -14.563 -12.179 1.00 44.24 O ATOM 481 CB ILE A 33 18.479 -17.417 -10.884 1.00 64.14 C ATOM 482 CG1 ILE A 33 18.118 -18.903 -10.829 1.00 44.12 C ATOM 483 CG2 ILE A 33 17.569 -16.611 -9.970 1.00 40.00 C ATOM 484 CD1 ILE A 33 16.689 -19.193 -11.231 1.00 43.14 C ATOM 0 H ILE A 33 19.739 -18.429 -12.786 1.00 34.41 H new ATOM 0 HA ILE A 33 17.366 -17.040 -12.694 1.00 32.43 H new ATOM 0 HB ILE A 33 19.506 -17.299 -10.538 1.00 64.14 H new ATOM 0 HG12 ILE A 33 18.791 -19.456 -11.484 1.00 44.12 H new ATOM 0 HG13 ILE A 33 18.284 -19.272 -9.817 1.00 44.12 H new ATOM 0 HG21 ILE A 33 17.647 -16.991 -8.951 1.00 40.00 H new ATOM 0 HG22 ILE A 33 17.869 -15.563 -9.990 1.00 40.00 H new ATOM 0 HG23 ILE A 33 16.538 -16.700 -10.312 1.00 40.00 H new ATOM 0 HD11 ILE A 33 16.504 -20.265 -11.168 1.00 43.14 H new ATOM 0 HD12 ILE A 33 16.009 -18.668 -10.561 1.00 43.14 H new ATOM 0 HD13 ILE A 33 16.523 -18.855 -12.254 1.00 43.14 H new ATOM 496 N GLU A 34 19.997 -15.099 -12.552 1.00 20.32 N ATOM 497 CA GLU A 34 20.449 -13.714 -12.591 1.00 41.41 C ATOM 498 C GLU A 34 19.643 -12.907 -13.605 1.00 41.12 C ATOM 499 O GLU A 34 19.433 -11.706 -13.433 1.00 70.11 O ATOM 500 CB GLU A 34 21.938 -13.649 -12.939 1.00 73.12 C ATOM 501 CG GLU A 34 22.225 -13.831 -14.420 1.00 50.01 C ATOM 502 CD GLU A 34 23.679 -14.160 -14.696 1.00 43.52 C ATOM 503 OE1 GLU A 34 24.428 -14.396 -13.725 1.00 3.51 O ATOM 504 OE2 GLU A 34 24.069 -14.180 -15.882 1.00 74.44 O ATOM 0 H GLU A 34 20.736 -15.788 -12.694 1.00 20.32 H new ATOM 0 HA GLU A 34 20.295 -13.281 -11.603 1.00 41.41 H new ATOM 0 HB2 GLU A 34 22.336 -12.687 -12.616 1.00 73.12 H new ATOM 0 HB3 GLU A 34 22.468 -14.419 -12.378 1.00 73.12 H new ATOM 0 HG2 GLU A 34 21.595 -14.629 -14.813 1.00 50.01 H new ATOM 0 HG3 GLU A 34 21.955 -12.920 -14.953 1.00 50.01 H new ATOM 511 N ASP A 35 19.195 -13.575 -14.662 1.00 61.51 N ATOM 512 CA ASP A 35 18.412 -12.922 -15.704 1.00 72.24 C ATOM 513 C ASP A 35 17.046 -12.498 -15.173 1.00 5.25 C ATOM 514 O ASP A 35 16.635 -11.348 -15.334 1.00 62.04 O ATOM 515 CB ASP A 35 18.238 -13.856 -16.903 1.00 22.52 C ATOM 516 CG ASP A 35 19.565 -14.304 -17.485 1.00 54.31 C ATOM 517 OD1 ASP A 35 20.385 -13.429 -17.834 1.00 0.10 O ATOM 518 OD2 ASP A 35 19.783 -15.529 -17.591 1.00 54.52 O ATOM 0 H ASP A 35 19.361 -14.569 -14.820 1.00 61.51 H new ATOM 0 HA ASP A 35 18.951 -12.030 -16.023 1.00 72.24 H new ATOM 0 HB2 ASP A 35 17.664 -14.731 -16.598 1.00 22.52 H new ATOM 0 HB3 ASP A 35 17.659 -13.348 -17.674 1.00 22.52 H new ATOM 523 N LEU A 36 16.348 -13.433 -14.538 1.00 53.24 N ATOM 524 CA LEU A 36 15.027 -13.156 -13.983 1.00 63.42 C ATOM 525 C LEU A 36 15.079 -11.979 -13.015 1.00 23.13 C ATOM 526 O LEU A 36 14.225 -11.093 -13.052 1.00 0.52 O ATOM 527 CB LEU A 36 14.483 -14.395 -13.269 1.00 60.03 C ATOM 528 CG LEU A 36 13.673 -15.364 -14.131 1.00 33.33 C ATOM 529 CD1 LEU A 36 14.572 -16.446 -14.707 1.00 65.42 C ATOM 530 CD2 LEU A 36 12.544 -15.983 -13.319 1.00 71.12 C ATOM 0 H LEU A 36 16.674 -14.389 -14.395 1.00 53.24 H new ATOM 0 HA LEU A 36 14.361 -12.896 -14.806 1.00 63.42 H new ATOM 0 HB2 LEU A 36 15.323 -14.939 -12.837 1.00 60.03 H new ATOM 0 HB3 LEU A 36 13.856 -14.066 -12.440 1.00 60.03 H new ATOM 0 HG LEU A 36 13.236 -14.805 -14.959 1.00 33.33 H new ATOM 0 HD11 LEU A 36 13.978 -17.126 -15.317 1.00 65.42 H new ATOM 0 HD12 LEU A 36 15.345 -15.987 -15.323 1.00 65.42 H new ATOM 0 HD13 LEU A 36 15.039 -17.002 -13.894 1.00 65.42 H new ATOM 0 HD21 LEU A 36 11.978 -16.670 -13.948 1.00 71.12 H new ATOM 0 HD22 LEU A 36 12.961 -16.527 -12.472 1.00 71.12 H new ATOM 0 HD23 LEU A 36 11.884 -15.196 -12.955 1.00 71.12 H new ATOM 542 N LEU A 37 16.088 -11.975 -12.150 1.00 72.40 N ATOM 543 CA LEU A 37 16.253 -10.905 -11.172 1.00 64.34 C ATOM 544 C LEU A 37 16.664 -9.604 -11.854 1.00 13.22 C ATOM 545 O LEU A 37 16.282 -8.516 -11.421 1.00 73.31 O ATOM 546 CB LEU A 37 17.299 -11.299 -10.128 1.00 65.31 C ATOM 547 CG LEU A 37 17.618 -10.246 -9.066 1.00 75.12 C ATOM 548 CD1 LEU A 37 16.340 -9.754 -8.404 1.00 4.45 C ATOM 549 CD2 LEU A 37 18.577 -10.809 -8.027 1.00 53.24 C ATOM 0 H LEU A 37 16.804 -12.700 -12.106 1.00 72.40 H new ATOM 0 HA LEU A 37 15.295 -10.748 -10.676 1.00 64.34 H new ATOM 0 HB2 LEU A 37 16.957 -12.203 -9.624 1.00 65.31 H new ATOM 0 HB3 LEU A 37 18.223 -11.554 -10.647 1.00 65.31 H new ATOM 0 HG LEU A 37 18.100 -9.399 -9.554 1.00 75.12 H new ATOM 0 HD11 LEU A 37 16.585 -9.005 -7.651 1.00 4.45 H new ATOM 0 HD12 LEU A 37 15.687 -9.311 -9.157 1.00 4.45 H new ATOM 0 HD13 LEU A 37 15.830 -10.592 -7.929 1.00 4.45 H new ATOM 0 HD21 LEU A 37 18.793 -10.046 -7.279 1.00 53.24 H new ATOM 0 HD22 LEU A 37 18.122 -11.673 -7.543 1.00 53.24 H new ATOM 0 HD23 LEU A 37 19.504 -11.112 -8.514 1.00 53.24 H new ATOM 561 N LYS A 38 17.442 -9.722 -12.924 1.00 25.22 N ATOM 562 CA LYS A 38 17.902 -8.556 -13.669 1.00 25.32 C ATOM 563 C LYS A 38 16.722 -7.754 -14.207 1.00 1.35 C ATOM 564 O LYS A 38 16.663 -6.536 -14.044 1.00 3.52 O ATOM 565 CB LYS A 38 18.808 -8.988 -14.824 1.00 71.44 C ATOM 566 CG LYS A 38 19.478 -7.828 -15.539 1.00 52.41 C ATOM 567 CD LYS A 38 20.836 -8.223 -16.094 1.00 72.52 C ATOM 568 CE LYS A 38 20.793 -8.391 -17.605 1.00 72.13 C ATOM 569 NZ LYS A 38 22.159 -8.456 -18.195 1.00 74.12 N ATOM 0 H LYS A 38 17.768 -10.614 -13.295 1.00 25.22 H new ATOM 0 HA LYS A 38 18.469 -7.922 -12.988 1.00 25.32 H new ATOM 0 HB2 LYS A 38 19.576 -9.660 -14.440 1.00 71.44 H new ATOM 0 HB3 LYS A 38 18.219 -9.556 -15.544 1.00 71.44 H new ATOM 0 HG2 LYS A 38 18.839 -7.482 -16.351 1.00 52.41 H new ATOM 0 HG3 LYS A 38 19.595 -6.993 -14.848 1.00 52.41 H new ATOM 0 HD2 LYS A 38 21.572 -7.463 -15.832 1.00 72.52 H new ATOM 0 HD3 LYS A 38 21.162 -9.155 -15.632 1.00 72.52 H new ATOM 0 HE2 LYS A 38 20.246 -9.301 -17.854 1.00 72.13 H new ATOM 0 HE3 LYS A 38 20.245 -7.559 -18.048 1.00 72.13 H new ATOM 0 HZ1 LYS A 38 22.087 -8.571 -19.226 1.00 74.12 H new ATOM 0 HZ2 LYS A 38 22.672 -7.578 -17.979 1.00 74.12 H new ATOM 0 HZ3 LYS A 38 22.673 -9.265 -17.792 1.00 74.12 H new ATOM 583 N GLU A 39 15.784 -8.445 -14.846 1.00 61.50 N ATOM 584 CA GLU A 39 14.605 -7.796 -15.406 1.00 42.55 C ATOM 585 C GLU A 39 13.632 -7.390 -14.304 1.00 14.23 C ATOM 586 O GLU A 39 12.935 -6.380 -14.416 1.00 35.44 O ATOM 587 CB GLU A 39 13.907 -8.725 -16.401 1.00 63.33 C ATOM 588 CG GLU A 39 13.459 -10.043 -15.792 1.00 10.15 C ATOM 589 CD GLU A 39 12.963 -11.029 -16.832 1.00 4.52 C ATOM 590 OE1 GLU A 39 13.122 -10.747 -18.038 1.00 43.22 O ATOM 591 OE2 GLU A 39 12.417 -12.081 -16.440 1.00 50.33 O ATOM 0 H GLU A 39 15.818 -9.454 -14.989 1.00 61.50 H new ATOM 0 HA GLU A 39 14.932 -6.897 -15.928 1.00 42.55 H new ATOM 0 HB2 GLU A 39 13.039 -8.213 -16.816 1.00 63.33 H new ATOM 0 HB3 GLU A 39 14.584 -8.929 -17.231 1.00 63.33 H new ATOM 0 HG2 GLU A 39 14.290 -10.487 -15.244 1.00 10.15 H new ATOM 0 HG3 GLU A 39 12.665 -9.854 -15.069 1.00 10.15 H new ATOM 598 N LEU A 40 13.589 -8.183 -13.239 1.00 70.32 N ATOM 599 CA LEU A 40 12.701 -7.908 -12.115 1.00 72.30 C ATOM 600 C LEU A 40 13.116 -6.630 -11.393 1.00 75.14 C ATOM 601 O LEU A 40 12.271 -5.859 -10.937 1.00 74.34 O ATOM 602 CB LEU A 40 12.705 -9.084 -11.137 1.00 21.23 C ATOM 603 CG LEU A 40 11.478 -9.996 -11.177 1.00 40.35 C ATOM 604 CD1 LEU A 40 10.230 -9.229 -10.770 1.00 55.32 C ATOM 605 CD2 LEU A 40 11.307 -10.598 -12.564 1.00 63.53 C ATOM 0 H LEU A 40 14.159 -9.022 -13.130 1.00 70.32 H new ATOM 0 HA LEU A 40 11.693 -7.772 -12.506 1.00 72.30 H new ATOM 0 HB2 LEU A 40 13.590 -9.690 -11.333 1.00 21.23 H new ATOM 0 HB3 LEU A 40 12.806 -8.689 -10.126 1.00 21.23 H new ATOM 0 HG LEU A 40 11.629 -10.808 -10.466 1.00 40.35 H new ATOM 0 HD11 LEU A 40 9.367 -9.894 -10.804 1.00 55.32 H new ATOM 0 HD12 LEU A 40 10.353 -8.846 -9.757 1.00 55.32 H new ATOM 0 HD13 LEU A 40 10.074 -8.397 -11.456 1.00 55.32 H new ATOM 0 HD21 LEU A 40 10.429 -11.244 -12.574 1.00 63.53 H new ATOM 0 HD22 LEU A 40 11.178 -9.799 -13.294 1.00 63.53 H new ATOM 0 HD23 LEU A 40 12.191 -11.183 -12.818 1.00 63.53 H new ATOM 617 N LYS A 41 14.422 -6.410 -11.295 1.00 1.21 N ATOM 618 CA LYS A 41 14.951 -5.223 -10.632 1.00 72.42 C ATOM 619 C LYS A 41 14.452 -3.953 -11.313 1.00 5.42 C ATOM 620 O LYS A 41 13.869 -3.079 -10.670 1.00 72.11 O ATOM 621 CB LYS A 41 16.481 -5.251 -10.637 1.00 11.33 C ATOM 622 CG LYS A 41 17.078 -6.065 -9.502 1.00 70.11 C ATOM 623 CD LYS A 41 17.356 -5.202 -8.283 1.00 22.33 C ATOM 624 CE LYS A 41 18.762 -4.623 -8.319 1.00 1.11 C ATOM 625 NZ LYS A 41 18.806 -3.318 -9.035 1.00 12.23 N ATOM 0 H LYS A 41 15.135 -7.038 -11.666 1.00 1.21 H new ATOM 0 HA LYS A 41 14.598 -5.224 -9.601 1.00 72.42 H new ATOM 0 HB2 LYS A 41 16.825 -5.660 -11.587 1.00 11.33 H new ATOM 0 HB3 LYS A 41 16.855 -4.229 -10.576 1.00 11.33 H new ATOM 0 HG2 LYS A 41 16.394 -6.869 -9.231 1.00 70.11 H new ATOM 0 HG3 LYS A 41 18.004 -6.533 -9.836 1.00 70.11 H new ATOM 0 HD2 LYS A 41 16.629 -4.391 -8.236 1.00 22.33 H new ATOM 0 HD3 LYS A 41 17.229 -5.797 -7.378 1.00 22.33 H new ATOM 0 HE2 LYS A 41 19.127 -4.491 -7.300 1.00 1.11 H new ATOM 0 HE3 LYS A 41 19.433 -5.329 -8.809 1.00 1.11 H new ATOM 0 HZ1 LYS A 41 19.664 -2.799 -8.759 1.00 12.23 H new ATOM 0 HZ2 LYS A 41 18.817 -3.485 -10.061 1.00 12.23 H new ATOM 0 HZ3 LYS A 41 17.967 -2.757 -8.785 1.00 12.23 H new ATOM 639 N THR A 42 14.685 -3.855 -12.618 1.00 60.42 N ATOM 640 CA THR A 42 14.260 -2.692 -13.386 1.00 13.12 C ATOM 641 C THR A 42 12.744 -2.530 -13.345 1.00 64.31 C ATOM 642 O THR A 42 12.228 -1.415 -13.414 1.00 32.52 O ATOM 643 CB THR A 42 14.715 -2.790 -14.854 1.00 73.51 C ATOM 644 OG1 THR A 42 14.299 -4.042 -15.413 1.00 1.32 O ATOM 645 CG2 THR A 42 16.226 -2.658 -14.962 1.00 64.22 C ATOM 0 H THR A 42 15.166 -4.568 -13.166 1.00 60.42 H new ATOM 0 HA THR A 42 14.729 -1.822 -12.926 1.00 13.12 H new ATOM 0 HB THR A 42 14.254 -1.973 -15.410 1.00 73.51 H new ATOM 0 HG1 THR A 42 13.772 -4.537 -14.751 1.00 1.32 H new ATOM 0 HG21 THR A 42 16.524 -2.730 -16.008 1.00 64.22 H new ATOM 0 HG22 THR A 42 16.536 -1.693 -14.562 1.00 64.22 H new ATOM 0 HG23 THR A 42 16.703 -3.456 -14.393 1.00 64.22 H new ATOM 653 N MET A 43 12.037 -3.650 -13.232 1.00 44.03 N ATOM 654 CA MET A 43 10.580 -3.631 -13.180 1.00 61.14 C ATOM 655 C MET A 43 10.091 -3.060 -11.853 1.00 53.34 C ATOM 656 O MET A 43 9.241 -2.170 -11.826 1.00 23.32 O ATOM 657 CB MET A 43 10.023 -5.042 -13.378 1.00 22.33 C ATOM 658 CG MET A 43 9.620 -5.341 -14.812 1.00 72.34 C ATOM 659 SD MET A 43 9.734 -7.095 -15.215 1.00 63.10 S ATOM 660 CE MET A 43 9.674 -7.036 -17.004 1.00 61.42 C ATOM 0 H MET A 43 12.449 -4.581 -13.175 1.00 44.03 H new ATOM 0 HA MET A 43 10.221 -2.990 -13.985 1.00 61.14 H new ATOM 0 HB2 MET A 43 10.773 -5.767 -13.061 1.00 22.33 H new ATOM 0 HB3 MET A 43 9.156 -5.176 -12.730 1.00 22.33 H new ATOM 0 HG2 MET A 43 8.598 -5.000 -14.976 1.00 72.34 H new ATOM 0 HG3 MET A 43 10.258 -4.774 -15.490 1.00 72.34 H new ATOM 0 HE1 MET A 43 8.989 -7.800 -17.370 1.00 61.42 H new ATOM 0 HE2 MET A 43 9.327 -6.054 -17.324 1.00 61.42 H new ATOM 0 HE3 MET A 43 10.670 -7.218 -17.408 1.00 61.42 H new ATOM 670 N ASN A 44 10.632 -3.577 -10.756 1.00 25.24 N ATOM 671 CA ASN A 44 10.250 -3.118 -9.425 1.00 73.42 C ATOM 672 C ASN A 44 10.504 -1.622 -9.272 1.00 23.04 C ATOM 673 O ASN A 44 9.652 -0.885 -8.778 1.00 10.54 O ATOM 674 CB ASN A 44 11.023 -3.891 -8.355 1.00 33.25 C ATOM 675 CG ASN A 44 10.784 -3.343 -6.961 1.00 25.13 C ATOM 676 OD1 ASN A 44 11.724 -3.150 -6.189 1.00 12.42 O ATOM 677 ND2 ASN A 44 9.523 -3.090 -6.632 1.00 71.32 N ATOM 0 H ASN A 44 11.337 -4.314 -10.762 1.00 25.24 H new ATOM 0 HA ASN A 44 9.183 -3.302 -9.296 1.00 73.42 H new ATOM 0 HB2 ASN A 44 10.730 -4.940 -8.385 1.00 33.25 H new ATOM 0 HB3 ASN A 44 12.089 -3.851 -8.580 1.00 33.25 H new ATOM 0 HD21 ASN A 44 9.301 -2.720 -5.707 1.00 71.32 H new ATOM 0 HD22 ASN A 44 8.776 -3.265 -7.304 1.00 71.32 H new ATOM 684 N ALA A 45 11.683 -1.181 -9.699 1.00 51.10 N ATOM 685 CA ALA A 45 12.049 0.227 -9.612 1.00 10.23 C ATOM 686 C ALA A 45 11.254 1.064 -10.608 1.00 71.02 C ATOM 687 O ALA A 45 10.974 2.237 -10.364 1.00 35.03 O ATOM 688 CB ALA A 45 13.542 0.400 -9.847 1.00 61.14 C ATOM 0 H ALA A 45 12.401 -1.779 -10.109 1.00 51.10 H new ATOM 0 HA ALA A 45 11.807 0.578 -8.609 1.00 10.23 H new ATOM 0 HB1 ALA A 45 13.801 1.457 -9.779 1.00 61.14 H new ATOM 0 HB2 ALA A 45 14.096 -0.159 -9.093 1.00 61.14 H new ATOM 0 HB3 ALA A 45 13.800 0.026 -10.838 1.00 61.14 H new ATOM 694 N ALA A 46 10.894 0.453 -11.732 1.00 41.24 N ATOM 695 CA ALA A 46 10.130 1.142 -12.765 1.00 62.02 C ATOM 696 C ALA A 46 8.855 1.749 -12.191 1.00 54.44 C ATOM 697 O ALA A 46 8.553 2.921 -12.424 1.00 61.24 O ATOM 698 CB ALA A 46 9.797 0.186 -13.901 1.00 42.22 C ATOM 0 H ALA A 46 11.119 -0.518 -11.950 1.00 41.24 H new ATOM 0 HA ALA A 46 10.744 1.954 -13.156 1.00 62.02 H new ATOM 0 HB1 ALA A 46 9.226 0.714 -14.665 1.00 42.22 H new ATOM 0 HB2 ALA A 46 10.720 -0.197 -14.337 1.00 42.22 H new ATOM 0 HB3 ALA A 46 9.206 -0.645 -13.516 1.00 42.22 H new ATOM 704 N LEU A 47 8.108 0.947 -11.441 1.00 62.51 N ATOM 705 CA LEU A 47 6.864 1.405 -10.834 1.00 15.11 C ATOM 706 C LEU A 47 7.107 2.620 -9.944 1.00 31.42 C ATOM 707 O LEU A 47 6.197 3.411 -9.694 1.00 32.50 O ATOM 708 CB LEU A 47 6.226 0.279 -10.017 1.00 44.42 C ATOM 709 CG LEU A 47 6.788 0.070 -8.611 1.00 25.33 C ATOM 710 CD1 LEU A 47 5.953 0.820 -7.585 1.00 22.32 C ATOM 711 CD2 LEU A 47 6.844 -1.413 -8.274 1.00 63.44 C ATOM 0 H LEU A 47 8.343 -0.025 -11.239 1.00 62.51 H new ATOM 0 HA LEU A 47 6.183 1.695 -11.635 1.00 15.11 H new ATOM 0 HB2 LEU A 47 5.158 0.478 -9.934 1.00 44.42 H new ATOM 0 HB3 LEU A 47 6.335 -0.653 -10.572 1.00 44.42 H new ATOM 0 HG LEU A 47 7.803 0.467 -8.584 1.00 25.33 H new ATOM 0 HD11 LEU A 47 6.368 0.659 -6.590 1.00 22.32 H new ATOM 0 HD12 LEU A 47 5.964 1.885 -7.815 1.00 22.32 H new ATOM 0 HD13 LEU A 47 4.927 0.454 -7.613 1.00 22.32 H new ATOM 0 HD21 LEU A 47 7.247 -1.543 -7.269 1.00 63.44 H new ATOM 0 HD22 LEU A 47 5.840 -1.835 -8.320 1.00 63.44 H new ATOM 0 HD23 LEU A 47 7.486 -1.925 -8.991 1.00 63.44 H new ATOM 723 N ILE A 48 8.340 2.762 -9.470 1.00 62.13 N ATOM 724 CA ILE A 48 8.704 3.882 -8.611 1.00 74.11 C ATOM 725 C ILE A 48 8.845 5.169 -9.416 1.00 51.23 C ATOM 726 O ILE A 48 8.364 6.226 -9.008 1.00 1.42 O ATOM 727 CB ILE A 48 10.021 3.612 -7.861 1.00 22.40 C ATOM 728 CG1 ILE A 48 10.000 2.215 -7.236 1.00 2.34 C ATOM 729 CG2 ILE A 48 10.251 4.672 -6.795 1.00 14.14 C ATOM 730 CD1 ILE A 48 8.869 2.011 -6.252 1.00 25.30 C ATOM 0 H ILE A 48 9.104 2.115 -9.666 1.00 62.13 H new ATOM 0 HA ILE A 48 7.899 3.997 -7.885 1.00 74.11 H new ATOM 0 HB ILE A 48 10.844 3.658 -8.574 1.00 22.40 H new ATOM 0 HG12 ILE A 48 9.919 1.472 -8.029 1.00 2.34 H new ATOM 0 HG13 ILE A 48 10.949 2.038 -6.729 1.00 2.34 H new ATOM 0 HG21 ILE A 48 11.186 4.467 -6.274 1.00 14.14 H new ATOM 0 HG22 ILE A 48 10.305 5.654 -7.264 1.00 14.14 H new ATOM 0 HG23 ILE A 48 9.427 4.656 -6.082 1.00 14.14 H new ATOM 0 HD11 ILE A 48 8.916 0.999 -5.849 1.00 25.30 H new ATOM 0 HD12 ILE A 48 8.960 2.731 -5.439 1.00 25.30 H new ATOM 0 HD13 ILE A 48 7.915 2.156 -6.759 1.00 25.30 H new ATOM 742 N LYS A 49 9.506 5.073 -10.565 1.00 25.44 N ATOM 743 CA LYS A 49 9.709 6.228 -11.431 1.00 24.23 C ATOM 744 C LYS A 49 8.431 6.571 -12.188 1.00 53.13 C ATOM 745 O LYS A 49 7.984 7.719 -12.183 1.00 23.32 O ATOM 746 CB LYS A 49 10.844 5.956 -12.421 1.00 30.30 C ATOM 747 CG LYS A 49 12.211 6.377 -11.910 1.00 61.23 C ATOM 748 CD LYS A 49 12.812 5.324 -10.994 1.00 4.52 C ATOM 749 CE LYS A 49 13.787 4.427 -11.740 1.00 64.22 C ATOM 750 NZ LYS A 49 13.088 3.333 -12.469 1.00 55.14 N ATOM 0 H LYS A 49 9.911 4.206 -10.918 1.00 25.44 H new ATOM 0 HA LYS A 49 9.978 7.078 -10.804 1.00 24.23 H new ATOM 0 HB2 LYS A 49 10.865 4.891 -12.654 1.00 30.30 H new ATOM 0 HB3 LYS A 49 10.636 6.482 -13.353 1.00 30.30 H new ATOM 0 HG2 LYS A 49 12.879 6.550 -12.754 1.00 61.23 H new ATOM 0 HG3 LYS A 49 12.125 7.322 -11.373 1.00 61.23 H new ATOM 0 HD2 LYS A 49 13.326 5.812 -10.165 1.00 4.52 H new ATOM 0 HD3 LYS A 49 12.015 4.718 -10.563 1.00 4.52 H new ATOM 0 HE2 LYS A 49 14.362 5.025 -12.447 1.00 64.22 H new ATOM 0 HE3 LYS A 49 14.498 3.997 -11.034 1.00 64.22 H new ATOM 0 HZ1 LYS A 49 13.675 2.474 -12.452 1.00 55.14 H new ATOM 0 HZ2 LYS A 49 12.175 3.138 -12.010 1.00 55.14 H new ATOM 0 HZ3 LYS A 49 12.925 3.622 -13.455 1.00 55.14 H new ATOM 764 N ILE A 50 7.846 5.570 -12.837 1.00 60.12 N ATOM 765 CA ILE A 50 6.617 5.766 -13.597 1.00 5.54 C ATOM 766 C ILE A 50 5.434 6.025 -12.670 1.00 41.13 C ATOM 767 O ILE A 50 4.420 6.585 -13.084 1.00 34.15 O ATOM 768 CB ILE A 50 6.303 4.548 -14.484 1.00 63.24 C ATOM 769 CG1 ILE A 50 5.944 3.338 -13.619 1.00 44.12 C ATOM 770 CG2 ILE A 50 7.488 4.229 -15.385 1.00 15.21 C ATOM 771 CD1 ILE A 50 4.456 3.090 -13.515 1.00 72.12 C ATOM 0 H ILE A 50 8.203 4.615 -12.852 1.00 60.12 H new ATOM 0 HA ILE A 50 6.775 6.637 -14.234 1.00 5.54 H new ATOM 0 HB ILE A 50 5.446 4.787 -15.114 1.00 63.24 H new ATOM 0 HG12 ILE A 50 6.424 2.451 -14.032 1.00 44.12 H new ATOM 0 HG13 ILE A 50 6.351 3.483 -12.618 1.00 44.12 H new ATOM 0 HG21 ILE A 50 7.251 3.365 -16.006 1.00 15.21 H new ATOM 0 HG22 ILE A 50 7.702 5.087 -16.023 1.00 15.21 H new ATOM 0 HG23 ILE A 50 8.361 4.006 -14.772 1.00 15.21 H new ATOM 0 HD11 ILE A 50 4.276 2.217 -12.887 1.00 72.12 H new ATOM 0 HD12 ILE A 50 3.972 3.961 -13.073 1.00 72.12 H new ATOM 0 HD13 ILE A 50 4.046 2.912 -14.509 1.00 72.12 H new ATOM 783 N GLY A 51 5.572 5.614 -11.413 1.00 45.42 N ATOM 784 CA GLY A 51 4.508 5.812 -10.447 1.00 30.21 C ATOM 785 C GLY A 51 4.582 7.167 -9.771 1.00 25.40 C ATOM 786 O GLY A 51 3.611 7.619 -9.166 1.00 24.14 O ATOM 0 H GLY A 51 6.402 5.147 -11.047 1.00 45.42 H new ATOM 0 HA2 GLY A 51 3.545 5.711 -10.947 1.00 30.21 H new ATOM 0 HA3 GLY A 51 4.558 5.029 -9.690 1.00 30.21 H new ATOM 790 N GLU A 52 5.739 7.814 -9.873 1.00 52.51 N ATOM 791 CA GLU A 52 5.936 9.125 -9.264 1.00 20.51 C ATOM 792 C GLU A 52 5.202 10.207 -10.051 1.00 31.53 C ATOM 793 O GLU A 52 4.807 11.232 -9.497 1.00 15.41 O ATOM 794 CB GLU A 52 7.428 9.457 -9.188 1.00 54.11 C ATOM 795 CG GLU A 52 7.715 10.839 -8.626 1.00 43.35 C ATOM 796 CD GLU A 52 7.365 10.956 -7.156 1.00 21.23 C ATOM 797 OE1 GLU A 52 8.239 10.665 -6.312 1.00 52.23 O ATOM 798 OE2 GLU A 52 6.217 11.338 -6.849 1.00 15.35 O ATOM 0 H GLU A 52 6.553 7.453 -10.371 1.00 52.51 H new ATOM 0 HA GLU A 52 5.526 9.094 -8.255 1.00 20.51 H new ATOM 0 HB2 GLU A 52 7.927 8.711 -8.569 1.00 54.11 H new ATOM 0 HB3 GLU A 52 7.860 9.383 -10.186 1.00 54.11 H new ATOM 0 HG2 GLU A 52 8.771 11.071 -8.764 1.00 43.35 H new ATOM 0 HG3 GLU A 52 7.150 11.581 -9.190 1.00 43.35 H new ATOM 805 N VAL A 53 5.024 9.970 -11.347 1.00 33.44 N ATOM 806 CA VAL A 53 4.337 10.922 -12.211 1.00 1.55 C ATOM 807 C VAL A 53 2.951 11.255 -11.670 1.00 2.35 C ATOM 808 O VAL A 53 2.320 10.457 -10.976 1.00 41.40 O ATOM 809 CB VAL A 53 4.199 10.381 -13.646 1.00 24.32 C ATOM 810 CG1 VAL A 53 5.564 10.023 -14.215 1.00 11.21 C ATOM 811 CG2 VAL A 53 3.269 9.177 -13.674 1.00 10.54 C ATOM 0 H VAL A 53 5.346 9.127 -11.821 1.00 33.44 H new ATOM 0 HA VAL A 53 4.944 11.827 -12.229 1.00 1.55 H new ATOM 0 HB VAL A 53 3.765 11.162 -14.270 1.00 24.32 H new ATOM 0 HG11 VAL A 53 5.447 9.642 -15.230 1.00 11.21 H new ATOM 0 HG12 VAL A 53 6.196 10.911 -14.231 1.00 11.21 H new ATOM 0 HG13 VAL A 53 6.029 9.259 -13.592 1.00 11.21 H new ATOM 0 HG21 VAL A 53 3.183 8.807 -14.696 1.00 10.54 H new ATOM 0 HG22 VAL A 53 3.673 8.390 -13.036 1.00 10.54 H new ATOM 0 HG23 VAL A 53 2.284 9.469 -13.310 1.00 10.54 H new ATOM 821 N PRO A 54 2.464 12.462 -11.993 1.00 51.32 N ATOM 822 CA PRO A 54 1.146 12.929 -11.551 1.00 24.31 C ATOM 823 C PRO A 54 0.007 12.178 -12.232 1.00 21.35 C ATOM 824 O PRO A 54 0.205 11.448 -13.203 1.00 45.01 O ATOM 825 CB PRO A 54 1.136 14.403 -11.962 1.00 13.21 C ATOM 826 CG PRO A 54 2.095 14.487 -13.099 1.00 20.44 C ATOM 827 CD PRO A 54 3.161 13.465 -12.816 1.00 63.54 C ATOM 0 HA PRO A 54 0.994 12.769 -10.484 1.00 24.31 H new ATOM 0 HB2 PRO A 54 0.138 14.723 -12.262 1.00 13.21 H new ATOM 0 HB3 PRO A 54 1.443 15.046 -11.137 1.00 13.21 H new ATOM 0 HG2 PRO A 54 1.597 14.280 -14.046 1.00 20.44 H new ATOM 0 HG3 PRO A 54 2.523 15.487 -13.176 1.00 20.44 H new ATOM 0 HD2 PRO A 54 3.553 13.029 -13.735 1.00 63.54 H new ATOM 0 HD3 PRO A 54 4.006 13.903 -12.285 1.00 63.54 H new ATOM 835 N PRO A 55 -1.216 12.359 -11.712 1.00 11.12 N ATOM 836 CA PRO A 55 -2.412 11.707 -12.255 1.00 4.50 C ATOM 837 C PRO A 55 -2.803 12.260 -13.621 1.00 50.41 C ATOM 838 O PRO A 55 -3.680 11.717 -14.293 1.00 12.31 O ATOM 839 CB PRO A 55 -3.492 12.028 -11.219 1.00 21.21 C ATOM 840 CG PRO A 55 -3.028 13.283 -10.564 1.00 54.10 C ATOM 841 CD PRO A 55 -1.526 13.215 -10.554 1.00 72.31 C ATOM 0 HA PRO A 55 -2.258 10.640 -12.414 1.00 4.50 H new ATOM 0 HB2 PRO A 55 -4.465 12.164 -11.691 1.00 21.21 H new ATOM 0 HB3 PRO A 55 -3.599 11.220 -10.495 1.00 21.21 H new ATOM 0 HG2 PRO A 55 -3.375 14.160 -11.111 1.00 54.10 H new ATOM 0 HG3 PRO A 55 -3.422 13.363 -9.551 1.00 54.10 H new ATOM 0 HD2 PRO A 55 -1.078 14.204 -10.654 1.00 72.31 H new ATOM 0 HD3 PRO A 55 -1.149 12.787 -9.625 1.00 72.31 H new ATOM 849 N ASP A 56 -2.147 13.342 -14.026 1.00 53.41 N ATOM 850 CA ASP A 56 -2.426 13.968 -15.314 1.00 10.04 C ATOM 851 C ASP A 56 -1.908 13.106 -16.460 1.00 70.54 C ATOM 852 O ASP A 56 -2.415 13.175 -17.579 1.00 54.33 O ATOM 853 CB ASP A 56 -1.791 15.358 -15.377 1.00 51.03 C ATOM 854 CG ASP A 56 -2.652 16.354 -16.130 1.00 22.32 C ATOM 855 OD1 ASP A 56 -3.827 16.531 -15.746 1.00 62.41 O ATOM 856 OD2 ASP A 56 -2.151 16.955 -17.103 1.00 3.52 O ATOM 0 H ASP A 56 -1.419 13.804 -13.482 1.00 53.41 H new ATOM 0 HA ASP A 56 -3.507 14.066 -15.417 1.00 10.04 H new ATOM 0 HB2 ASP A 56 -1.620 15.723 -14.364 1.00 51.03 H new ATOM 0 HB3 ASP A 56 -0.816 15.287 -15.859 1.00 51.03 H new ATOM 861 N GLN A 57 -0.895 12.295 -16.173 1.00 61.43 N ATOM 862 CA GLN A 57 -0.307 11.420 -17.182 1.00 15.34 C ATOM 863 C GLN A 57 -0.829 9.995 -17.037 1.00 33.44 C ATOM 864 O GLN A 57 -0.822 9.219 -17.994 1.00 0.24 O ATOM 865 CB GLN A 57 1.218 11.431 -17.071 1.00 1.55 C ATOM 866 CG GLN A 57 1.807 12.825 -16.924 1.00 2.14 C ATOM 867 CD GLN A 57 3.112 12.990 -17.678 1.00 30.32 C ATOM 868 OE1 GLN A 57 3.732 12.009 -18.091 1.00 34.03 O ATOM 869 NE2 GLN A 57 3.537 14.234 -17.862 1.00 12.21 N ATOM 0 H GLN A 57 -0.464 12.225 -15.251 1.00 61.43 H new ATOM 0 HA GLN A 57 -0.595 11.795 -18.164 1.00 15.34 H new ATOM 0 HB2 GLN A 57 1.516 10.827 -16.214 1.00 1.55 H new ATOM 0 HB3 GLN A 57 1.642 10.958 -17.957 1.00 1.55 H new ATOM 0 HG2 GLN A 57 1.087 13.559 -17.286 1.00 2.14 H new ATOM 0 HG3 GLN A 57 1.973 13.035 -15.868 1.00 2.14 H new ATOM 0 HE21 GLN A 57 2.992 15.018 -17.503 1.00 12.21 H new ATOM 0 HE22 GLN A 57 4.409 14.406 -18.363 1.00 12.21 H new ATOM 878 N LEU A 58 -1.281 9.655 -15.835 1.00 33.15 N ATOM 879 CA LEU A 58 -1.807 8.321 -15.564 1.00 0.45 C ATOM 880 C LEU A 58 -2.873 7.938 -16.585 1.00 42.22 C ATOM 881 O LEU A 58 -3.959 8.518 -16.611 1.00 64.15 O ATOM 882 CB LEU A 58 -2.392 8.260 -14.152 1.00 31.44 C ATOM 883 CG LEU A 58 -2.290 6.909 -13.441 1.00 52.32 C ATOM 884 CD1 LEU A 58 -3.027 5.836 -14.227 1.00 63.23 C ATOM 885 CD2 LEU A 58 -0.833 6.521 -13.241 1.00 24.21 C ATOM 0 H LEU A 58 -1.294 10.284 -15.032 1.00 33.15 H new ATOM 0 HA LEU A 58 -0.984 7.610 -15.641 1.00 0.45 H new ATOM 0 HB2 LEU A 58 -1.890 9.009 -13.540 1.00 31.44 H new ATOM 0 HB3 LEU A 58 -3.443 8.543 -14.203 1.00 31.44 H new ATOM 0 HG LEU A 58 -2.759 6.999 -12.461 1.00 52.32 H new ATOM 0 HD11 LEU A 58 -2.944 4.882 -13.706 1.00 63.23 H new ATOM 0 HD12 LEU A 58 -4.078 6.109 -14.318 1.00 63.23 H new ATOM 0 HD13 LEU A 58 -2.588 5.747 -15.221 1.00 63.23 H new ATOM 0 HD21 LEU A 58 -0.779 5.558 -12.734 1.00 24.21 H new ATOM 0 HD22 LEU A 58 -0.339 6.449 -14.210 1.00 24.21 H new ATOM 0 HD23 LEU A 58 -0.335 7.278 -12.635 1.00 24.21 H new ATOM 897 N ASP A 59 -2.556 6.957 -17.423 1.00 40.53 N ATOM 898 CA ASP A 59 -3.488 6.494 -18.445 1.00 44.11 C ATOM 899 C ASP A 59 -4.151 5.187 -18.023 1.00 64.41 C ATOM 900 O ASP A 59 -3.664 4.492 -17.131 1.00 63.45 O ATOM 901 CB ASP A 59 -2.763 6.306 -19.779 1.00 23.44 C ATOM 902 CG ASP A 59 -2.341 7.623 -20.400 1.00 30.24 C ATOM 903 OD1 ASP A 59 -3.193 8.530 -20.503 1.00 52.11 O ATOM 904 OD2 ASP A 59 -1.159 7.747 -20.781 1.00 63.32 O ATOM 0 H ASP A 59 -1.661 6.467 -17.415 1.00 40.53 H new ATOM 0 HA ASP A 59 -4.263 7.251 -18.565 1.00 44.11 H new ATOM 0 HB2 ASP A 59 -1.883 5.681 -19.626 1.00 23.44 H new ATOM 0 HB3 ASP A 59 -3.415 5.774 -20.472 1.00 23.44 H new ATOM 909 N SER A 60 -5.265 4.859 -18.669 1.00 61.43 N ATOM 910 CA SER A 60 -5.998 3.637 -18.358 1.00 1.12 C ATOM 911 C SER A 60 -5.100 2.412 -18.504 1.00 3.43 C ATOM 912 O SER A 60 -5.327 1.384 -17.867 1.00 52.11 O ATOM 913 CB SER A 60 -7.217 3.501 -19.272 1.00 40.41 C ATOM 914 OG SER A 60 -6.831 3.136 -20.586 1.00 31.44 O ATOM 0 H SER A 60 -5.680 5.422 -19.411 1.00 61.43 H new ATOM 0 HA SER A 60 -6.334 3.699 -17.323 1.00 1.12 H new ATOM 0 HB2 SER A 60 -7.897 2.751 -18.868 1.00 40.41 H new ATOM 0 HB3 SER A 60 -7.763 4.444 -19.299 1.00 40.41 H new ATOM 0 HG SER A 60 -7.628 3.054 -21.150 1.00 31.44 H new ATOM 920 N GLN A 61 -4.079 2.532 -19.347 1.00 12.02 N ATOM 921 CA GLN A 61 -3.147 1.435 -19.577 1.00 61.14 C ATOM 922 C GLN A 61 -2.113 1.355 -18.459 1.00 44.44 C ATOM 923 O GLN A 61 -1.518 0.303 -18.224 1.00 15.12 O ATOM 924 CB GLN A 61 -2.446 1.609 -20.926 1.00 25.54 C ATOM 925 CG GLN A 61 -3.272 1.129 -22.108 1.00 14.13 C ATOM 926 CD GLN A 61 -2.571 1.340 -23.435 1.00 4.32 C ATOM 927 OE1 GLN A 61 -2.373 2.474 -23.872 1.00 52.23 O ATOM 928 NE2 GLN A 61 -2.189 0.246 -24.084 1.00 12.33 N ATOM 0 H GLN A 61 -3.877 3.377 -19.881 1.00 12.02 H new ATOM 0 HA GLN A 61 -3.715 0.505 -19.588 1.00 61.14 H new ATOM 0 HB2 GLN A 61 -2.204 2.662 -21.067 1.00 25.54 H new ATOM 0 HB3 GLN A 61 -1.502 1.064 -20.908 1.00 25.54 H new ATOM 0 HG2 GLN A 61 -3.495 0.069 -21.984 1.00 14.13 H new ATOM 0 HG3 GLN A 61 -4.226 1.656 -22.118 1.00 14.13 H new ATOM 0 HE21 GLN A 61 -2.373 -0.674 -23.685 1.00 12.33 H new ATOM 0 HE22 GLN A 61 -1.711 0.326 -24.982 1.00 12.33 H new ATOM 937 N ASP A 62 -1.902 2.474 -17.774 1.00 72.13 N ATOM 938 CA ASP A 62 -0.940 2.531 -16.680 1.00 61.31 C ATOM 939 C ASP A 62 -1.195 1.413 -15.674 1.00 3.14 C ATOM 940 O ASP A 62 -0.286 0.660 -15.322 1.00 74.24 O ATOM 941 CB ASP A 62 -1.010 3.889 -15.981 1.00 0.30 C ATOM 942 CG ASP A 62 0.350 4.371 -15.514 1.00 74.01 C ATOM 943 OD1 ASP A 62 0.810 3.907 -14.450 1.00 54.11 O ATOM 944 OD2 ASP A 62 0.953 5.213 -16.212 1.00 62.43 O ATOM 0 H ASP A 62 -2.385 3.354 -17.957 1.00 72.13 H new ATOM 0 HA ASP A 62 0.058 2.398 -17.099 1.00 61.31 H new ATOM 0 HB2 ASP A 62 -1.438 4.624 -16.663 1.00 0.30 H new ATOM 0 HB3 ASP A 62 -1.681 3.820 -15.125 1.00 0.30 H new ATOM 949 N LYS A 63 -2.436 1.312 -15.212 1.00 34.34 N ATOM 950 CA LYS A 63 -2.812 0.287 -14.245 1.00 75.44 C ATOM 951 C LYS A 63 -2.764 -1.101 -14.877 1.00 42.24 C ATOM 952 O LYS A 63 -2.414 -2.082 -14.220 1.00 2.12 O ATOM 953 CB LYS A 63 -4.216 0.561 -13.700 1.00 4.13 C ATOM 954 CG LYS A 63 -5.284 0.634 -14.777 1.00 62.21 C ATOM 955 CD LYS A 63 -6.159 1.865 -14.612 1.00 71.13 C ATOM 956 CE LYS A 63 -5.366 3.145 -14.824 1.00 4.33 C ATOM 957 NZ LYS A 63 -6.252 4.339 -14.910 1.00 4.12 N ATOM 0 H LYS A 63 -3.200 1.928 -15.492 1.00 34.34 H new ATOM 0 HA LYS A 63 -2.097 0.319 -13.423 1.00 75.44 H new ATOM 0 HB2 LYS A 63 -4.480 -0.223 -12.991 1.00 4.13 H new ATOM 0 HB3 LYS A 63 -4.205 1.500 -13.147 1.00 4.13 H new ATOM 0 HG2 LYS A 63 -4.811 0.652 -15.759 1.00 62.21 H new ATOM 0 HG3 LYS A 63 -5.904 -0.262 -14.738 1.00 62.21 H new ATOM 0 HD2 LYS A 63 -6.984 1.825 -15.324 1.00 71.13 H new ATOM 0 HD3 LYS A 63 -6.599 1.869 -13.615 1.00 71.13 H new ATOM 0 HE2 LYS A 63 -4.660 3.275 -14.004 1.00 4.33 H new ATOM 0 HE3 LYS A 63 -4.779 3.061 -15.739 1.00 4.33 H new ATOM 0 HZ1 LYS A 63 -5.768 5.093 -15.439 1.00 4.12 H new ATOM 0 HZ2 LYS A 63 -7.133 4.083 -15.400 1.00 4.12 H new ATOM 0 HZ3 LYS A 63 -6.474 4.676 -13.952 1.00 4.12 H new ATOM 971 N LEU A 64 -3.115 -1.176 -16.156 1.00 54.12 N ATOM 972 CA LEU A 64 -3.110 -2.444 -16.878 1.00 12.30 C ATOM 973 C LEU A 64 -1.690 -2.981 -17.025 1.00 12.13 C ATOM 974 O LEU A 64 -1.479 -4.191 -17.103 1.00 30.22 O ATOM 975 CB LEU A 64 -3.747 -2.270 -18.258 1.00 32.22 C ATOM 976 CG LEU A 64 -5.243 -2.576 -18.350 1.00 4.41 C ATOM 977 CD1 LEU A 64 -6.056 -1.453 -17.725 1.00 32.14 C ATOM 978 CD2 LEU A 64 -5.655 -2.792 -19.799 1.00 5.02 C ATOM 0 H LEU A 64 -3.407 -0.374 -16.715 1.00 54.12 H new ATOM 0 HA LEU A 64 -3.693 -3.164 -16.303 1.00 12.30 H new ATOM 0 HB2 LEU A 64 -3.586 -1.242 -18.583 1.00 32.22 H new ATOM 0 HB3 LEU A 64 -3.221 -2.914 -18.963 1.00 32.22 H new ATOM 0 HG LEU A 64 -5.442 -3.493 -17.796 1.00 4.41 H new ATOM 0 HD11 LEU A 64 -7.118 -1.688 -17.799 1.00 32.14 H new ATOM 0 HD12 LEU A 64 -5.781 -1.345 -16.676 1.00 32.14 H new ATOM 0 HD13 LEU A 64 -5.853 -0.520 -18.251 1.00 32.14 H new ATOM 0 HD21 LEU A 64 -6.722 -3.009 -19.845 1.00 5.02 H new ATOM 0 HD22 LEU A 64 -5.442 -1.892 -20.376 1.00 5.02 H new ATOM 0 HD23 LEU A 64 -5.096 -3.630 -20.215 1.00 5.02 H new ATOM 990 N TRP A 65 -0.721 -2.074 -17.059 1.00 41.24 N ATOM 991 CA TRP A 65 0.680 -2.457 -17.194 1.00 71.05 C ATOM 992 C TRP A 65 1.205 -3.066 -15.899 1.00 72.21 C ATOM 993 O TRP A 65 1.952 -4.044 -15.921 1.00 3.45 O ATOM 994 CB TRP A 65 1.527 -1.244 -17.582 1.00 12.31 C ATOM 995 CG TRP A 65 2.999 -1.523 -17.584 1.00 23.32 C ATOM 996 CD1 TRP A 65 3.615 -2.669 -18.000 1.00 24.14 C ATOM 997 CD2 TRP A 65 4.040 -0.642 -17.148 1.00 14.43 C ATOM 998 NE1 TRP A 65 4.976 -2.553 -17.848 1.00 41.31 N ATOM 999 CE2 TRP A 65 5.262 -1.318 -17.328 1.00 71.12 C ATOM 1000 CE3 TRP A 65 4.058 0.654 -16.624 1.00 72.13 C ATOM 1001 CZ2 TRP A 65 6.487 -0.741 -17.002 1.00 74.53 C ATOM 1002 CZ3 TRP A 65 5.274 1.225 -16.301 1.00 61.30 C ATOM 1003 CH2 TRP A 65 6.475 0.528 -16.492 1.00 12.05 C ATOM 0 H TRP A 65 -0.879 -1.068 -16.995 1.00 41.24 H new ATOM 0 HA TRP A 65 0.751 -3.207 -17.981 1.00 71.05 H new ATOM 0 HB2 TRP A 65 1.228 -0.903 -18.573 1.00 12.31 H new ATOM 0 HB3 TRP A 65 1.320 -0.429 -16.889 1.00 12.31 H new ATOM 0 HD1 TRP A 65 3.107 -3.538 -18.391 1.00 24.14 H new ATOM 0 HE1 TRP A 65 5.662 -3.270 -18.084 1.00 41.31 H new ATOM 0 HE3 TRP A 65 3.138 1.199 -16.474 1.00 72.13 H new ATOM 0 HZ2 TRP A 65 7.414 -1.277 -17.147 1.00 74.53 H new ATOM 0 HZ3 TRP A 65 5.300 2.225 -15.894 1.00 61.30 H new ATOM 0 HH2 TRP A 65 7.410 1.002 -16.231 1.00 12.05 H new ATOM 1014 N ALA A 66 0.809 -2.483 -14.773 1.00 13.24 N ATOM 1015 CA ALA A 66 1.238 -2.970 -13.468 1.00 30.51 C ATOM 1016 C ALA A 66 0.899 -4.447 -13.295 1.00 32.11 C ATOM 1017 O ALA A 66 1.601 -5.177 -12.595 1.00 31.20 O ATOM 1018 CB ALA A 66 0.598 -2.147 -12.360 1.00 4.20 C ATOM 0 H ALA A 66 0.191 -1.672 -14.738 1.00 13.24 H new ATOM 0 HA ALA A 66 2.321 -2.862 -13.406 1.00 30.51 H new ATOM 0 HB1 ALA A 66 0.928 -2.522 -11.391 1.00 4.20 H new ATOM 0 HB2 ALA A 66 0.894 -1.103 -12.465 1.00 4.20 H new ATOM 0 HB3 ALA A 66 -0.487 -2.225 -12.429 1.00 4.20 H new ATOM 1024 N ASP A 67 -0.181 -4.880 -13.936 1.00 31.22 N ATOM 1025 CA ASP A 67 -0.613 -6.271 -13.853 1.00 12.40 C ATOM 1026 C ASP A 67 0.327 -7.179 -14.639 1.00 32.53 C ATOM 1027 O ASP A 67 0.546 -8.332 -14.266 1.00 54.34 O ATOM 1028 CB ASP A 67 -2.042 -6.415 -14.380 1.00 64.33 C ATOM 1029 CG ASP A 67 -2.424 -7.861 -14.627 1.00 21.40 C ATOM 1030 OD1 ASP A 67 -2.068 -8.719 -13.792 1.00 74.33 O ATOM 1031 OD2 ASP A 67 -3.078 -8.136 -15.655 1.00 41.52 O ATOM 0 H ASP A 67 -0.773 -4.288 -14.519 1.00 31.22 H new ATOM 0 HA ASP A 67 -0.588 -6.573 -12.806 1.00 12.40 H new ATOM 0 HB2 ASP A 67 -2.736 -5.976 -13.664 1.00 64.33 H new ATOM 0 HB3 ASP A 67 -2.143 -5.852 -15.308 1.00 64.33 H new ATOM 1036 N GLU A 68 0.878 -6.653 -15.727 1.00 45.35 N ATOM 1037 CA GLU A 68 1.793 -7.418 -16.566 1.00 62.22 C ATOM 1038 C GLU A 68 2.959 -7.961 -15.745 1.00 22.00 C ATOM 1039 O GLU A 68 3.432 -9.073 -15.978 1.00 25.42 O ATOM 1040 CB GLU A 68 2.321 -6.549 -17.709 1.00 43.51 C ATOM 1041 CG GLU A 68 1.237 -6.068 -18.659 1.00 2.41 C ATOM 1042 CD GLU A 68 0.882 -7.101 -19.710 1.00 42.02 C ATOM 1043 OE1 GLU A 68 1.710 -7.333 -20.616 1.00 70.22 O ATOM 1044 OE2 GLU A 68 -0.223 -7.677 -19.628 1.00 5.04 O ATOM 0 H GLU A 68 0.707 -5.700 -16.049 1.00 45.35 H new ATOM 0 HA GLU A 68 1.242 -8.260 -16.985 1.00 62.22 H new ATOM 0 HB2 GLU A 68 2.834 -5.684 -17.289 1.00 43.51 H new ATOM 0 HB3 GLU A 68 3.061 -7.116 -18.273 1.00 43.51 H new ATOM 0 HG2 GLU A 68 0.344 -5.815 -18.087 1.00 2.41 H new ATOM 0 HG3 GLU A 68 1.570 -5.154 -19.151 1.00 2.41 H new ATOM 1051 N VAL A 69 3.418 -7.167 -14.783 1.00 3.21 N ATOM 1052 CA VAL A 69 4.528 -7.567 -13.926 1.00 42.52 C ATOM 1053 C VAL A 69 4.085 -8.605 -12.901 1.00 42.25 C ATOM 1054 O VAL A 69 4.848 -9.501 -12.541 1.00 64.11 O ATOM 1055 CB VAL A 69 5.131 -6.357 -13.187 1.00 51.24 C ATOM 1056 CG1 VAL A 69 6.295 -6.792 -12.311 1.00 23.10 C ATOM 1057 CG2 VAL A 69 5.570 -5.291 -14.180 1.00 74.25 C ATOM 0 H VAL A 69 3.038 -6.243 -14.577 1.00 3.21 H new ATOM 0 HA VAL A 69 5.288 -8.003 -14.575 1.00 42.52 H new ATOM 0 HB VAL A 69 4.364 -5.928 -12.543 1.00 51.24 H new ATOM 0 HG11 VAL A 69 6.708 -5.924 -11.797 1.00 23.10 H new ATOM 0 HG12 VAL A 69 5.946 -7.517 -11.576 1.00 23.10 H new ATOM 0 HG13 VAL A 69 7.067 -7.247 -12.931 1.00 23.10 H new ATOM 0 HG21 VAL A 69 5.993 -4.444 -13.641 1.00 74.25 H new ATOM 0 HG22 VAL A 69 6.322 -5.706 -14.851 1.00 74.25 H new ATOM 0 HG23 VAL A 69 4.710 -4.958 -14.761 1.00 74.25 H new ATOM 1067 N ARG A 70 2.847 -8.478 -12.436 1.00 11.21 N ATOM 1068 CA ARG A 70 2.302 -9.405 -11.452 1.00 11.14 C ATOM 1069 C ARG A 70 2.124 -10.795 -12.054 1.00 63.44 C ATOM 1070 O ARG A 70 2.585 -11.789 -11.493 1.00 44.42 O ATOM 1071 CB ARG A 70 0.961 -8.891 -10.923 1.00 63.33 C ATOM 1072 CG ARG A 70 1.091 -7.995 -9.703 1.00 13.03 C ATOM 1073 CD ARG A 70 1.528 -8.782 -8.477 1.00 74.32 C ATOM 1074 NE ARG A 70 0.709 -8.474 -7.308 1.00 34.20 N ATOM 1075 CZ ARG A 70 -0.550 -8.874 -7.166 1.00 70.52 C ATOM 1076 NH1 ARG A 70 -1.131 -9.595 -8.115 1.00 62.44 N ATOM 1077 NH2 ARG A 70 -1.230 -8.554 -6.073 1.00 33.11 N ATOM 0 H ARG A 70 2.202 -7.742 -12.725 1.00 11.21 H new ATOM 0 HA ARG A 70 3.009 -9.474 -10.625 1.00 11.14 H new ATOM 0 HB2 ARG A 70 0.454 -8.340 -11.716 1.00 63.33 H new ATOM 0 HB3 ARG A 70 0.328 -9.743 -10.672 1.00 63.33 H new ATOM 0 HG2 ARG A 70 1.814 -7.205 -9.906 1.00 13.03 H new ATOM 0 HG3 ARG A 70 0.136 -7.509 -9.503 1.00 13.03 H new ATOM 0 HD2 ARG A 70 1.468 -9.849 -8.691 1.00 74.32 H new ATOM 0 HD3 ARG A 70 2.572 -8.560 -8.257 1.00 74.32 H new ATOM 0 HE ARG A 70 1.126 -7.921 -6.559 1.00 34.20 H new ATOM 0 HH11 ARG A 70 -0.611 -9.844 -8.957 1.00 62.44 H new ATOM 0 HH12 ARG A 70 -2.098 -9.901 -8.003 1.00 62.44 H new ATOM 0 HH21 ARG A 70 -0.786 -8.000 -5.340 1.00 33.11 H new ATOM 0 HH22 ARG A 70 -2.196 -8.862 -5.965 1.00 33.11 H new ATOM 1091 N GLU A 71 1.452 -10.857 -13.200 1.00 4.21 N ATOM 1092 CA GLU A 71 1.213 -12.126 -13.877 1.00 42.22 C ATOM 1093 C GLU A 71 2.524 -12.868 -14.121 1.00 60.00 C ATOM 1094 O GLU A 71 2.569 -14.099 -14.090 1.00 1.43 O ATOM 1095 CB GLU A 71 0.492 -11.892 -15.206 1.00 40.13 C ATOM 1096 CG GLU A 71 1.253 -10.987 -16.161 1.00 21.22 C ATOM 1097 CD GLU A 71 0.559 -10.837 -17.501 1.00 20.04 C ATOM 1098 OE1 GLU A 71 -0.626 -10.444 -17.515 1.00 1.42 O ATOM 1099 OE2 GLU A 71 1.202 -11.113 -18.535 1.00 71.02 O ATOM 0 H GLU A 71 1.064 -10.044 -13.678 1.00 4.21 H new ATOM 0 HA GLU A 71 0.583 -12.739 -13.233 1.00 42.22 H new ATOM 0 HB2 GLU A 71 0.319 -12.853 -15.690 1.00 40.13 H new ATOM 0 HB3 GLU A 71 -0.486 -11.455 -15.007 1.00 40.13 H new ATOM 0 HG2 GLU A 71 1.373 -10.004 -15.706 1.00 21.22 H new ATOM 0 HG3 GLU A 71 2.254 -11.390 -16.317 1.00 21.22 H new ATOM 1106 N LEU A 72 3.589 -12.112 -14.365 1.00 14.35 N ATOM 1107 CA LEU A 72 4.902 -12.696 -14.615 1.00 35.55 C ATOM 1108 C LEU A 72 5.487 -13.286 -13.336 1.00 23.43 C ATOM 1109 O LEU A 72 6.277 -14.230 -13.380 1.00 53.13 O ATOM 1110 CB LEU A 72 5.851 -11.642 -15.185 1.00 3.42 C ATOM 1111 CG LEU A 72 5.792 -11.433 -16.698 1.00 53.24 C ATOM 1112 CD1 LEU A 72 6.716 -10.301 -17.118 1.00 3.31 C ATOM 1113 CD2 LEU A 72 6.154 -12.718 -17.429 1.00 14.14 C ATOM 0 H LEU A 72 3.569 -11.093 -14.395 1.00 14.35 H new ATOM 0 HA LEU A 72 4.783 -13.499 -15.343 1.00 35.55 H new ATOM 0 HB2 LEU A 72 5.639 -10.690 -14.698 1.00 3.42 H new ATOM 0 HB3 LEU A 72 6.871 -11.917 -14.916 1.00 3.42 H new ATOM 0 HG LEU A 72 4.772 -11.160 -16.967 1.00 53.24 H new ATOM 0 HD11 LEU A 72 6.660 -10.168 -18.198 1.00 3.31 H new ATOM 0 HD12 LEU A 72 6.411 -9.379 -16.622 1.00 3.31 H new ATOM 0 HD13 LEU A 72 7.740 -10.543 -16.835 1.00 3.31 H new ATOM 0 HD21 LEU A 72 6.107 -12.550 -18.505 1.00 14.14 H new ATOM 0 HD22 LEU A 72 7.164 -13.021 -17.153 1.00 14.14 H new ATOM 0 HD23 LEU A 72 5.451 -13.504 -17.153 1.00 14.14 H new ATOM 1125 N SER A 73 5.094 -12.725 -12.197 1.00 33.42 N ATOM 1126 CA SER A 73 5.581 -13.195 -10.905 1.00 51.10 C ATOM 1127 C SER A 73 5.367 -14.698 -10.757 1.00 73.23 C ATOM 1128 O SER A 73 6.125 -15.380 -10.067 1.00 14.35 O ATOM 1129 CB SER A 73 4.873 -12.453 -9.769 1.00 64.32 C ATOM 1130 OG SER A 73 3.631 -13.060 -9.460 1.00 74.23 O ATOM 0 H SER A 73 4.440 -11.944 -12.142 1.00 33.42 H new ATOM 0 HA SER A 73 6.651 -12.991 -10.852 1.00 51.10 H new ATOM 0 HB2 SER A 73 5.508 -12.446 -8.883 1.00 64.32 H new ATOM 0 HB3 SER A 73 4.712 -11.413 -10.054 1.00 64.32 H new ATOM 0 HG SER A 73 2.939 -12.713 -10.060 1.00 74.23 H new ATOM 1136 N TYR A 74 4.329 -15.208 -11.411 1.00 70.30 N ATOM 1137 CA TYR A 74 4.012 -16.630 -11.351 1.00 61.34 C ATOM 1138 C TYR A 74 5.180 -17.470 -11.860 1.00 75.42 C ATOM 1139 O TYR A 74 5.504 -18.513 -11.291 1.00 42.33 O ATOM 1140 CB TYR A 74 2.757 -16.930 -12.174 1.00 4.45 C ATOM 1141 CG TYR A 74 2.077 -18.225 -11.791 1.00 4.31 C ATOM 1142 CD1 TYR A 74 1.743 -18.492 -10.469 1.00 32.10 C ATOM 1143 CD2 TYR A 74 1.771 -19.181 -12.751 1.00 35.35 C ATOM 1144 CE1 TYR A 74 1.122 -19.674 -10.114 1.00 60.34 C ATOM 1145 CE2 TYR A 74 1.149 -20.365 -12.405 1.00 74.44 C ATOM 1146 CZ TYR A 74 0.827 -20.607 -11.086 1.00 74.42 C ATOM 1147 OH TYR A 74 0.208 -21.786 -10.738 1.00 63.51 O ATOM 0 H TYR A 74 3.693 -14.658 -11.989 1.00 70.30 H new ATOM 0 HA TYR A 74 3.826 -16.891 -10.309 1.00 61.34 H new ATOM 0 HB2 TYR A 74 2.050 -16.109 -12.055 1.00 4.45 H new ATOM 0 HB3 TYR A 74 3.026 -16.969 -13.230 1.00 4.45 H new ATOM 0 HD1 TYR A 74 1.973 -17.763 -9.706 1.00 32.10 H new ATOM 0 HD2 TYR A 74 2.023 -18.996 -13.785 1.00 35.35 H new ATOM 0 HE1 TYR A 74 0.869 -19.866 -9.082 1.00 60.34 H new ATOM 0 HE2 TYR A 74 0.916 -21.097 -13.164 1.00 74.44 H new ATOM 0 HH TYR A 74 0.070 -22.332 -11.540 1.00 63.51 H new ATOM 1157 N VAL A 75 5.808 -17.008 -12.937 1.00 31.15 N ATOM 1158 CA VAL A 75 6.941 -17.714 -13.523 1.00 32.43 C ATOM 1159 C VAL A 75 8.101 -17.806 -12.538 1.00 12.33 C ATOM 1160 O VAL A 75 8.817 -18.806 -12.498 1.00 62.52 O ATOM 1161 CB VAL A 75 7.428 -17.023 -14.810 1.00 70.10 C ATOM 1162 CG1 VAL A 75 8.484 -17.870 -15.504 1.00 74.03 C ATOM 1163 CG2 VAL A 75 6.257 -16.746 -15.741 1.00 65.33 C ATOM 0 H VAL A 75 5.551 -16.148 -13.421 1.00 31.15 H new ATOM 0 HA VAL A 75 6.596 -18.719 -13.767 1.00 32.43 H new ATOM 0 HB VAL A 75 7.882 -16.069 -14.541 1.00 70.10 H new ATOM 0 HG11 VAL A 75 8.816 -17.366 -16.411 1.00 74.03 H new ATOM 0 HG12 VAL A 75 9.333 -18.012 -14.836 1.00 74.03 H new ATOM 0 HG13 VAL A 75 8.060 -18.840 -15.763 1.00 74.03 H new ATOM 0 HG21 VAL A 75 6.619 -16.257 -16.646 1.00 65.33 H new ATOM 0 HG22 VAL A 75 5.772 -17.686 -16.005 1.00 65.33 H new ATOM 0 HG23 VAL A 75 5.540 -16.096 -15.240 1.00 65.33 H new ATOM 1173 N ILE A 76 8.280 -16.755 -11.744 1.00 33.41 N ATOM 1174 CA ILE A 76 9.352 -16.718 -10.757 1.00 41.14 C ATOM 1175 C ILE A 76 9.224 -17.867 -9.763 1.00 3.33 C ATOM 1176 O ILE A 76 10.223 -18.367 -9.247 1.00 30.14 O ATOM 1177 CB ILE A 76 9.361 -15.385 -9.986 1.00 45.23 C ATOM 1178 CG1 ILE A 76 9.525 -14.212 -10.955 1.00 4.42 C ATOM 1179 CG2 ILE A 76 10.474 -15.381 -8.948 1.00 74.12 C ATOM 1180 CD1 ILE A 76 9.337 -12.859 -10.303 1.00 64.42 C ATOM 0 H ILE A 76 7.697 -15.919 -11.765 1.00 33.41 H new ATOM 0 HA ILE A 76 10.289 -16.818 -11.305 1.00 41.14 H new ATOM 0 HB ILE A 76 8.408 -15.275 -9.469 1.00 45.23 H new ATOM 0 HG12 ILE A 76 10.518 -14.256 -11.402 1.00 4.42 H new ATOM 0 HG13 ILE A 76 8.805 -14.318 -11.767 1.00 4.42 H new ATOM 0 HG21 ILE A 76 10.468 -14.432 -8.411 1.00 74.12 H new ATOM 0 HG22 ILE A 76 10.317 -16.198 -8.243 1.00 74.12 H new ATOM 0 HG23 ILE A 76 11.435 -15.510 -9.445 1.00 74.12 H new ATOM 0 HD11 ILE A 76 9.467 -12.075 -11.048 1.00 64.42 H new ATOM 0 HD12 ILE A 76 8.334 -12.795 -9.880 1.00 64.42 H new ATOM 0 HD13 ILE A 76 10.074 -12.732 -9.510 1.00 64.42 H new ATOM 1192 N GLU A 77 7.989 -18.280 -9.500 1.00 75.42 N ATOM 1193 CA GLU A 77 7.731 -19.371 -8.568 1.00 32.52 C ATOM 1194 C GLU A 77 8.563 -20.600 -8.924 1.00 44.31 C ATOM 1195 O GLU A 77 9.013 -21.335 -8.045 1.00 10.55 O ATOM 1196 CB GLU A 77 6.244 -19.732 -8.569 1.00 32.15 C ATOM 1197 CG GLU A 77 5.875 -20.796 -7.549 1.00 21.43 C ATOM 1198 CD GLU A 77 4.382 -21.053 -7.487 1.00 71.35 C ATOM 1199 OE1 GLU A 77 3.829 -21.580 -8.475 1.00 52.34 O ATOM 1200 OE2 GLU A 77 3.767 -20.728 -6.450 1.00 53.35 O ATOM 0 H GLU A 77 7.151 -17.876 -9.919 1.00 75.42 H new ATOM 0 HA GLU A 77 8.016 -19.037 -7.571 1.00 32.52 H new ATOM 0 HB2 GLU A 77 5.660 -18.833 -8.371 1.00 32.15 H new ATOM 0 HB3 GLU A 77 5.964 -20.081 -9.563 1.00 32.15 H new ATOM 0 HG2 GLU A 77 6.390 -21.725 -7.796 1.00 21.43 H new ATOM 0 HG3 GLU A 77 6.228 -20.488 -6.565 1.00 21.43 H new ATOM 1207 N ASP A 78 8.764 -20.816 -10.219 1.00 52.44 N ATOM 1208 CA ASP A 78 9.542 -21.954 -10.693 1.00 44.03 C ATOM 1209 C ASP A 78 10.947 -21.937 -10.099 1.00 1.12 C ATOM 1210 O ASP A 78 11.536 -22.987 -9.843 1.00 44.42 O ATOM 1211 CB ASP A 78 9.621 -21.945 -12.221 1.00 5.53 C ATOM 1212 CG ASP A 78 8.324 -22.384 -12.870 1.00 40.24 C ATOM 1213 OD1 ASP A 78 7.292 -22.418 -12.169 1.00 13.01 O ATOM 1214 OD2 ASP A 78 8.341 -22.694 -14.080 1.00 61.22 O ATOM 0 H ASP A 78 8.399 -20.217 -10.960 1.00 52.44 H new ATOM 0 HA ASP A 78 9.040 -22.866 -10.368 1.00 44.03 H new ATOM 0 HB2 ASP A 78 9.873 -20.941 -12.563 1.00 5.53 H new ATOM 0 HB3 ASP A 78 10.427 -22.604 -12.544 1.00 5.53 H new ATOM 1219 N ALA A 79 11.478 -20.738 -9.882 1.00 50.12 N ATOM 1220 CA ALA A 79 12.813 -20.584 -9.317 1.00 72.21 C ATOM 1221 C ALA A 79 12.918 -21.275 -7.962 1.00 11.24 C ATOM 1222 O ALA A 79 13.815 -22.087 -7.735 1.00 43.41 O ATOM 1223 CB ALA A 79 13.165 -19.110 -9.189 1.00 41.40 C ATOM 0 H ALA A 79 11.004 -19.859 -10.089 1.00 50.12 H new ATOM 0 HA ALA A 79 13.524 -21.058 -9.993 1.00 72.21 H new ATOM 0 HB1 ALA A 79 14.164 -19.010 -8.766 1.00 41.40 H new ATOM 0 HB2 ALA A 79 13.139 -18.643 -10.174 1.00 41.40 H new ATOM 0 HB3 ALA A 79 12.444 -18.619 -8.536 1.00 41.40 H new ATOM 1229 N VAL A 80 11.996 -20.947 -7.062 1.00 54.23 N ATOM 1230 CA VAL A 80 11.985 -21.536 -5.729 1.00 34.13 C ATOM 1231 C VAL A 80 11.410 -22.948 -5.756 1.00 52.24 C ATOM 1232 O VAL A 80 11.732 -23.777 -4.906 1.00 25.32 O ATOM 1233 CB VAL A 80 11.167 -20.680 -4.744 1.00 12.15 C ATOM 1234 CG1 VAL A 80 11.771 -19.290 -4.615 1.00 52.22 C ATOM 1235 CG2 VAL A 80 9.714 -20.600 -5.187 1.00 32.02 C ATOM 0 H VAL A 80 11.247 -20.276 -7.233 1.00 54.23 H new ATOM 0 HA VAL A 80 13.021 -21.575 -5.392 1.00 34.13 H new ATOM 0 HB VAL A 80 11.198 -21.156 -3.764 1.00 12.15 H new ATOM 0 HG11 VAL A 80 11.180 -18.700 -3.915 1.00 52.22 H new ATOM 0 HG12 VAL A 80 12.794 -19.371 -4.248 1.00 52.22 H new ATOM 0 HG13 VAL A 80 11.773 -18.802 -5.590 1.00 52.22 H new ATOM 0 HG21 VAL A 80 9.151 -19.991 -4.479 1.00 32.02 H new ATOM 0 HG22 VAL A 80 9.660 -20.148 -6.178 1.00 32.02 H new ATOM 0 HG23 VAL A 80 9.289 -21.603 -5.222 1.00 32.02 H new ATOM 1245 N ASP A 81 10.557 -23.214 -6.740 1.00 20.14 N ATOM 1246 CA ASP A 81 9.938 -24.527 -6.880 1.00 14.22 C ATOM 1247 C ASP A 81 10.992 -25.602 -7.124 1.00 10.04 C ATOM 1248 O ASP A 81 10.810 -26.761 -6.751 1.00 60.33 O ATOM 1249 CB ASP A 81 8.926 -24.517 -8.027 1.00 63.22 C ATOM 1250 CG ASP A 81 8.046 -25.752 -8.034 1.00 4.32 C ATOM 1251 OD1 ASP A 81 8.502 -26.802 -8.532 1.00 41.11 O ATOM 1252 OD2 ASP A 81 6.902 -25.667 -7.541 1.00 75.44 O ATOM 0 H ASP A 81 10.279 -22.538 -7.452 1.00 20.14 H new ATOM 0 HA ASP A 81 9.419 -24.758 -5.950 1.00 14.22 H new ATOM 0 HB2 ASP A 81 8.300 -23.629 -7.947 1.00 63.22 H new ATOM 0 HB3 ASP A 81 9.458 -24.448 -8.976 1.00 63.22 H new ATOM 1257 N LYS A 82 12.095 -25.210 -7.752 1.00 51.04 N ATOM 1258 CA LYS A 82 13.180 -26.139 -8.047 1.00 14.23 C ATOM 1259 C LYS A 82 13.659 -26.835 -6.777 1.00 44.10 C ATOM 1260 O LYS A 82 14.122 -27.975 -6.819 1.00 74.32 O ATOM 1261 CB LYS A 82 14.346 -25.400 -8.708 1.00 34.51 C ATOM 1262 CG LYS A 82 14.098 -25.055 -10.166 1.00 42.01 C ATOM 1263 CD LYS A 82 14.829 -23.785 -10.570 1.00 72.31 C ATOM 1264 CE LYS A 82 14.797 -23.579 -12.077 1.00 33.23 C ATOM 1265 NZ LYS A 82 15.720 -24.510 -12.784 1.00 11.34 N ATOM 0 H LYS A 82 12.262 -24.254 -8.067 1.00 51.04 H new ATOM 0 HA LYS A 82 12.802 -26.895 -8.734 1.00 14.23 H new ATOM 0 HB2 LYS A 82 14.544 -24.482 -8.155 1.00 34.51 H new ATOM 0 HB3 LYS A 82 15.243 -26.015 -8.636 1.00 34.51 H new ATOM 0 HG2 LYS A 82 14.426 -25.881 -10.797 1.00 42.01 H new ATOM 0 HG3 LYS A 82 13.028 -24.930 -10.335 1.00 42.01 H new ATOM 0 HD2 LYS A 82 14.373 -22.928 -10.075 1.00 72.31 H new ATOM 0 HD3 LYS A 82 15.864 -23.836 -10.230 1.00 72.31 H new ATOM 0 HE2 LYS A 82 13.781 -23.728 -12.442 1.00 33.23 H new ATOM 0 HE3 LYS A 82 15.071 -22.550 -12.309 1.00 33.23 H new ATOM 0 HZ1 LYS A 82 16.195 -24.005 -13.559 1.00 11.34 H new ATOM 0 HZ2 LYS A 82 16.432 -24.867 -12.115 1.00 11.34 H new ATOM 0 HZ3 LYS A 82 15.178 -25.308 -13.172 1.00 11.34 H new ATOM 1279 N PHE A 83 13.545 -26.142 -5.649 1.00 23.23 N ATOM 1280 CA PHE A 83 13.967 -26.694 -4.367 1.00 21.44 C ATOM 1281 C PHE A 83 12.973 -27.740 -3.871 1.00 73.55 C ATOM 1282 O PHE A 83 13.348 -28.700 -3.196 1.00 70.15 O ATOM 1283 CB PHE A 83 14.110 -25.579 -3.329 1.00 40.11 C ATOM 1284 CG PHE A 83 15.070 -25.909 -2.222 1.00 34.51 C ATOM 1285 CD1 PHE A 83 14.757 -26.879 -1.283 1.00 64.52 C ATOM 1286 CD2 PHE A 83 16.284 -25.250 -2.120 1.00 12.34 C ATOM 1287 CE1 PHE A 83 15.638 -27.186 -0.263 1.00 63.42 C ATOM 1288 CE2 PHE A 83 17.169 -25.553 -1.102 1.00 52.43 C ATOM 1289 CZ PHE A 83 16.845 -26.521 -0.172 1.00 62.22 C ATOM 0 H PHE A 83 13.164 -25.197 -5.597 1.00 23.23 H new ATOM 0 HA PHE A 83 14.935 -27.176 -4.509 1.00 21.44 H new ATOM 0 HB2 PHE A 83 14.443 -24.669 -3.829 1.00 40.11 H new ATOM 0 HB3 PHE A 83 13.131 -25.366 -2.899 1.00 40.11 H new ATOM 0 HD1 PHE A 83 13.814 -27.401 -1.349 1.00 64.52 H new ATOM 0 HD2 PHE A 83 16.542 -24.491 -2.844 1.00 12.34 H new ATOM 0 HE1 PHE A 83 15.383 -27.945 0.462 1.00 63.42 H new ATOM 0 HE2 PHE A 83 18.113 -25.033 -1.034 1.00 52.43 H new ATOM 0 HZ PHE A 83 17.534 -26.758 0.625 1.00 62.22 H new ATOM 1299 N LEU A 84 11.703 -27.548 -4.211 1.00 31.11 N ATOM 1300 CA LEU A 84 10.653 -28.474 -3.801 1.00 54.01 C ATOM 1301 C LEU A 84 10.743 -29.780 -4.583 1.00 72.43 C ATOM 1302 O LEU A 84 10.049 -30.750 -4.275 1.00 44.12 O ATOM 1303 CB LEU A 84 9.277 -27.838 -4.005 1.00 55.14 C ATOM 1304 CG LEU A 84 9.085 -26.445 -3.405 1.00 43.31 C ATOM 1305 CD1 LEU A 84 7.919 -25.732 -4.072 1.00 4.51 C ATOM 1306 CD2 LEU A 84 8.867 -26.537 -1.902 1.00 1.11 C ATOM 0 H LEU A 84 11.376 -26.760 -4.769 1.00 31.11 H new ATOM 0 HA LEU A 84 10.791 -28.696 -2.743 1.00 54.01 H new ATOM 0 HB2 LEU A 84 9.081 -27.781 -5.076 1.00 55.14 H new ATOM 0 HB3 LEU A 84 8.525 -28.502 -3.578 1.00 55.14 H new ATOM 0 HG LEU A 84 9.990 -25.865 -3.586 1.00 43.31 H new ATOM 0 HD11 LEU A 84 7.798 -24.742 -3.632 1.00 4.51 H new ATOM 0 HD12 LEU A 84 8.116 -25.633 -5.139 1.00 4.51 H new ATOM 0 HD13 LEU A 84 7.006 -26.309 -3.923 1.00 4.51 H new ATOM 0 HD21 LEU A 84 8.732 -25.536 -1.492 1.00 1.11 H new ATOM 0 HD22 LEU A 84 7.979 -27.135 -1.699 1.00 1.11 H new ATOM 0 HD23 LEU A 84 9.734 -27.006 -1.437 1.00 1.11 H new ATOM 1318 N VAL A 85 11.604 -29.800 -5.596 1.00 54.41 N ATOM 1319 CA VAL A 85 11.787 -30.988 -6.421 1.00 4.13 C ATOM 1320 C VAL A 85 12.046 -32.220 -5.560 1.00 14.50 C ATOM 1321 O VAL A 85 11.707 -33.339 -5.944 1.00 22.45 O ATOM 1322 CB VAL A 85 12.956 -30.811 -7.408 1.00 5.23 C ATOM 1323 CG1 VAL A 85 14.287 -30.839 -6.671 1.00 12.23 C ATOM 1324 CG2 VAL A 85 12.911 -31.884 -8.484 1.00 64.45 C ATOM 0 H VAL A 85 12.186 -29.006 -5.865 1.00 54.41 H new ATOM 0 HA VAL A 85 10.864 -31.128 -6.984 1.00 4.13 H new ATOM 0 HB VAL A 85 12.856 -29.839 -7.891 1.00 5.23 H new ATOM 0 HG11 VAL A 85 15.101 -30.712 -7.385 1.00 12.23 H new ATOM 0 HG12 VAL A 85 14.316 -30.030 -5.941 1.00 12.23 H new ATOM 0 HG13 VAL A 85 14.399 -31.794 -6.159 1.00 12.23 H new ATOM 0 HG21 VAL A 85 13.744 -31.744 -9.173 1.00 64.45 H new ATOM 0 HG22 VAL A 85 12.985 -32.868 -8.020 1.00 64.45 H new ATOM 0 HG23 VAL A 85 11.971 -31.811 -9.032 1.00 64.45 H new ATOM 1334 N ARG A 86 12.647 -32.005 -4.394 1.00 54.43 N ATOM 1335 CA ARG A 86 12.951 -33.098 -3.479 1.00 0.43 C ATOM 1336 C ARG A 86 11.690 -33.578 -2.767 1.00 75.24 C ATOM 1337 O ARG A 86 11.329 -34.753 -2.846 1.00 40.31 O ATOM 1338 CB ARG A 86 13.992 -32.654 -2.449 1.00 41.14 C ATOM 1339 CG ARG A 86 15.395 -32.523 -3.019 1.00 60.25 C ATOM 1340 CD ARG A 86 16.004 -33.884 -3.318 1.00 61.20 C ATOM 1341 NE ARG A 86 17.463 -33.854 -3.265 1.00 62.33 N ATOM 1342 CZ ARG A 86 18.234 -34.861 -3.661 1.00 73.42 C ATOM 1343 NH1 ARG A 86 17.687 -35.972 -4.137 1.00 12.42 N ATOM 1344 NH2 ARG A 86 19.554 -34.759 -3.582 1.00 43.14 N ATOM 0 H ARG A 86 12.933 -31.084 -4.061 1.00 54.43 H new ATOM 0 HA ARG A 86 13.356 -33.925 -4.063 1.00 0.43 H new ATOM 0 HB2 ARG A 86 13.689 -31.695 -2.029 1.00 41.14 H new ATOM 0 HB3 ARG A 86 14.008 -33.371 -1.628 1.00 41.14 H new ATOM 0 HG2 ARG A 86 15.364 -31.929 -3.932 1.00 60.25 H new ATOM 0 HG3 ARG A 86 16.028 -31.987 -2.311 1.00 60.25 H new ATOM 0 HD2 ARG A 86 15.630 -34.614 -2.600 1.00 61.20 H new ATOM 0 HD3 ARG A 86 15.684 -34.215 -4.306 1.00 61.20 H new ATOM 0 HE ARG A 86 17.915 -33.014 -2.904 1.00 62.33 H new ATOM 0 HH11 ARG A 86 16.672 -36.055 -4.200 1.00 12.42 H new ATOM 0 HH12 ARG A 86 18.281 -36.744 -4.440 1.00 12.42 H new ATOM 0 HH21 ARG A 86 19.979 -33.907 -3.217 1.00 43.14 H new ATOM 0 HH22 ARG A 86 20.144 -35.533 -3.886 1.00 43.14 H new ATOM 1358 N VAL A 87 11.023 -32.662 -2.073 1.00 34.14 N ATOM 1359 CA VAL A 87 9.801 -32.992 -1.348 1.00 2.33 C ATOM 1360 C VAL A 87 8.742 -33.559 -2.286 1.00 14.24 C ATOM 1361 O VAL A 87 7.856 -34.302 -1.862 1.00 72.22 O ATOM 1362 CB VAL A 87 9.226 -31.758 -0.627 1.00 30.10 C ATOM 1363 CG1 VAL A 87 10.216 -31.229 0.399 1.00 3.12 C ATOM 1364 CG2 VAL A 87 8.859 -30.677 -1.632 1.00 72.25 C ATOM 0 H VAL A 87 11.308 -31.685 -1.997 1.00 34.14 H new ATOM 0 HA VAL A 87 10.066 -33.746 -0.607 1.00 2.33 H new ATOM 0 HB VAL A 87 8.319 -32.056 -0.101 1.00 30.10 H new ATOM 0 HG11 VAL A 87 9.792 -30.357 0.898 1.00 3.12 H new ATOM 0 HG12 VAL A 87 10.424 -32.004 1.137 1.00 3.12 H new ATOM 0 HG13 VAL A 87 11.142 -30.946 -0.101 1.00 3.12 H new ATOM 0 HG21 VAL A 87 8.454 -29.813 -1.105 1.00 72.25 H new ATOM 0 HG22 VAL A 87 9.748 -30.380 -2.188 1.00 72.25 H new ATOM 0 HG23 VAL A 87 8.111 -31.063 -2.324 1.00 72.25 H new ATOM 1374 N HIS A 88 8.838 -33.203 -3.563 1.00 24.51 N ATOM 1375 CA HIS A 88 7.888 -33.678 -4.563 1.00 22.14 C ATOM 1376 C HIS A 88 8.258 -35.078 -5.042 1.00 62.51 C ATOM 1377 O HIS A 88 7.451 -35.765 -5.666 1.00 74.23 O ATOM 1378 CB HIS A 88 7.841 -32.716 -5.750 1.00 4.32 C ATOM 1379 CG HIS A 88 7.107 -31.443 -5.460 1.00 44.32 C ATOM 1380 ND1 HIS A 88 7.293 -30.285 -6.187 1.00 35.34 N ATOM 1381 CD2 HIS A 88 6.181 -31.150 -4.518 1.00 2.53 C ATOM 1382 CE1 HIS A 88 6.513 -29.335 -5.702 1.00 44.22 C ATOM 1383 NE2 HIS A 88 5.828 -29.834 -4.689 1.00 43.40 N ATOM 0 H HIS A 88 9.564 -32.587 -3.930 1.00 24.51 H new ATOM 0 HA HIS A 88 6.902 -33.720 -4.100 1.00 22.14 H new ATOM 0 HB2 HIS A 88 8.860 -32.477 -6.054 1.00 4.32 H new ATOM 0 HB3 HIS A 88 7.365 -33.216 -6.594 1.00 4.32 H new ATOM 0 HD2 HIS A 88 5.792 -31.826 -3.771 1.00 2.53 H new ATOM 0 HE1 HIS A 88 6.447 -28.322 -6.071 1.00 44.22 H new ATOM 0 HE2 HIS A 88 5.147 -29.325 -4.125 1.00 43.40 H new ATOM 1391 N GLY A 89 9.486 -35.495 -4.746 1.00 73.31 N ATOM 1392 CA GLY A 89 9.941 -36.811 -5.155 1.00 61.04 C ATOM 1393 C GLY A 89 10.049 -36.945 -6.661 1.00 41.35 C ATOM 1394 O GLY A 89 10.084 -38.055 -7.193 1.00 14.33 O ATOM 0 H GLY A 89 10.173 -34.945 -4.231 1.00 73.31 H new ATOM 0 HA2 GLY A 89 10.913 -37.012 -4.705 1.00 61.04 H new ATOM 0 HA3 GLY A 89 9.252 -37.565 -4.775 1.00 61.04 H new ATOM 1398 N VAL A 90 10.101 -35.810 -7.353 1.00 30.35 N ATOM 1399 CA VAL A 90 10.205 -35.805 -8.807 1.00 31.12 C ATOM 1400 C VAL A 90 11.641 -35.560 -9.254 1.00 44.52 C ATOM 1401 O VAL A 90 12.343 -34.722 -8.688 1.00 23.40 O ATOM 1402 CB VAL A 90 9.294 -34.731 -9.431 1.00 32.42 C ATOM 1403 CG1 VAL A 90 9.428 -34.732 -10.946 1.00 0.21 C ATOM 1404 CG2 VAL A 90 7.847 -34.954 -9.015 1.00 44.24 C ATOM 0 H VAL A 90 10.073 -34.883 -6.929 1.00 30.35 H new ATOM 0 HA VAL A 90 9.883 -36.788 -9.151 1.00 31.12 H new ATOM 0 HB VAL A 90 9.608 -33.754 -9.063 1.00 32.42 H new ATOM 0 HG11 VAL A 90 8.777 -33.967 -11.369 1.00 0.21 H new ATOM 0 HG12 VAL A 90 10.462 -34.521 -11.220 1.00 0.21 H new ATOM 0 HG13 VAL A 90 9.141 -35.709 -11.336 1.00 0.21 H new ATOM 0 HG21 VAL A 90 7.217 -34.187 -9.464 1.00 44.24 H new ATOM 0 HG22 VAL A 90 7.519 -35.937 -9.353 1.00 44.24 H new ATOM 0 HG23 VAL A 90 7.768 -34.898 -7.929 1.00 44.24 H new ATOM 1414 N GLU A 91 12.072 -36.295 -10.275 1.00 33.14 N ATOM 1415 CA GLU A 91 13.426 -36.157 -10.798 1.00 12.33 C ATOM 1416 C GLU A 91 13.743 -34.696 -11.107 1.00 71.41 C ATOM 1417 O GLU A 91 12.853 -33.874 -11.326 1.00 33.52 O ATOM 1418 CB GLU A 91 13.598 -37.006 -12.059 1.00 3.21 C ATOM 1419 CG GLU A 91 12.434 -36.898 -13.029 1.00 41.23 C ATOM 1420 CD GLU A 91 12.777 -37.418 -14.412 1.00 11.21 C ATOM 1421 OE1 GLU A 91 12.578 -38.626 -14.658 1.00 51.43 O ATOM 1422 OE2 GLU A 91 13.244 -36.616 -15.248 1.00 1.14 O ATOM 0 H GLU A 91 11.503 -36.992 -10.756 1.00 33.14 H new ATOM 0 HA GLU A 91 14.121 -36.508 -10.035 1.00 12.33 H new ATOM 0 HB2 GLU A 91 14.513 -36.704 -12.568 1.00 3.21 H new ATOM 0 HB3 GLU A 91 13.723 -38.049 -11.770 1.00 3.21 H new ATOM 0 HG2 GLU A 91 11.585 -37.456 -12.635 1.00 41.23 H new ATOM 0 HG3 GLU A 91 12.123 -35.856 -13.103 1.00 41.23 H new ATOM 1429 N PRO A 92 15.042 -34.365 -11.126 1.00 4.34 N ATOM 1430 CA PRO A 92 15.508 -33.003 -11.407 1.00 31.42 C ATOM 1431 C PRO A 92 15.284 -32.603 -12.861 1.00 62.11 C ATOM 1432 O PRO A 92 15.504 -33.399 -13.775 1.00 14.34 O ATOM 1433 CB PRO A 92 17.005 -33.069 -11.094 1.00 50.14 C ATOM 1434 CG PRO A 92 17.369 -34.501 -11.282 1.00 72.31 C ATOM 1435 CD PRO A 92 16.157 -35.293 -10.874 1.00 63.21 C ATOM 0 HA PRO A 92 14.969 -32.258 -10.821 1.00 31.42 H new ATOM 0 HB2 PRO A 92 17.578 -32.424 -11.761 1.00 50.14 H new ATOM 0 HB3 PRO A 92 17.211 -32.738 -10.076 1.00 50.14 H new ATOM 0 HG2 PRO A 92 17.636 -34.703 -12.319 1.00 72.31 H new ATOM 0 HG3 PRO A 92 18.233 -34.767 -10.673 1.00 72.31 H new ATOM 0 HD2 PRO A 92 16.059 -36.207 -11.459 1.00 63.21 H new ATOM 0 HD3 PRO A 92 16.204 -35.589 -9.826 1.00 63.21 H new ATOM 1443 N ASP A 93 14.847 -31.366 -13.069 1.00 2.14 N ATOM 1444 CA ASP A 93 14.595 -30.859 -14.413 1.00 23.43 C ATOM 1445 C ASP A 93 14.754 -29.343 -14.461 1.00 4.03 C ATOM 1446 O ASP A 93 14.210 -28.625 -13.622 1.00 54.11 O ATOM 1447 CB ASP A 93 13.191 -31.252 -14.874 1.00 31.11 C ATOM 1448 CG ASP A 93 13.032 -32.751 -15.034 1.00 62.31 C ATOM 1449 OD1 ASP A 93 13.667 -33.321 -15.946 1.00 41.41 O ATOM 1450 OD2 ASP A 93 12.272 -33.355 -14.248 1.00 24.21 O ATOM 0 H ASP A 93 14.660 -30.695 -12.324 1.00 2.14 H new ATOM 0 HA ASP A 93 15.328 -31.304 -15.086 1.00 23.43 H new ATOM 0 HB2 ASP A 93 12.460 -30.887 -14.153 1.00 31.11 H new ATOM 0 HB3 ASP A 93 12.974 -30.763 -15.824 1.00 31.11 H new ATOM 1455 N ASP A 94 15.505 -28.863 -15.446 1.00 51.01 N ATOM 1456 CA ASP A 94 15.736 -27.432 -15.604 1.00 1.34 C ATOM 1457 C ASP A 94 14.954 -26.882 -16.792 1.00 74.43 C ATOM 1458 O ASP A 94 14.301 -25.844 -16.692 1.00 64.21 O ATOM 1459 CB ASP A 94 17.229 -27.152 -15.786 1.00 54.43 C ATOM 1460 CG ASP A 94 17.543 -25.669 -15.794 1.00 14.53 C ATOM 1461 OD1 ASP A 94 17.122 -24.978 -16.745 1.00 72.11 O ATOM 1462 OD2 ASP A 94 18.210 -25.198 -14.848 1.00 61.34 O ATOM 0 H ASP A 94 15.964 -29.444 -16.147 1.00 51.01 H new ATOM 0 HA ASP A 94 15.388 -26.931 -14.701 1.00 1.34 H new ATOM 0 HB2 ASP A 94 17.787 -27.634 -14.983 1.00 54.43 H new ATOM 0 HB3 ASP A 94 17.568 -27.597 -16.721 1.00 54.43 H new ATOM 1467 N ASN A 95 15.025 -27.586 -17.917 1.00 73.54 N ATOM 1468 CA ASN A 95 14.324 -27.168 -19.126 1.00 62.33 C ATOM 1469 C ASN A 95 12.842 -26.939 -18.845 1.00 23.24 C ATOM 1470 O ASN A 95 12.193 -26.123 -19.500 1.00 33.53 O ATOM 1471 CB ASN A 95 14.489 -28.219 -20.226 1.00 22.42 C ATOM 1472 CG ASN A 95 14.017 -27.721 -21.578 1.00 15.12 C ATOM 1473 OD1 ASN A 95 13.694 -26.544 -21.740 1.00 11.13 O ATOM 1474 ND2 ASN A 95 13.973 -28.617 -22.557 1.00 23.34 N ATOM 0 H ASN A 95 15.561 -28.448 -18.017 1.00 73.54 H new ATOM 0 HA ASN A 95 14.761 -26.228 -19.462 1.00 62.33 H new ATOM 0 HB2 ASN A 95 15.538 -28.508 -20.294 1.00 22.42 H new ATOM 0 HB3 ASN A 95 13.929 -29.114 -19.956 1.00 22.42 H new ATOM 0 HD21 ASN A 95 13.662 -28.340 -23.488 1.00 23.34 H new ATOM 0 HD22 ASN A 95 14.250 -29.582 -22.378 1.00 23.34 H new ATOM 1481 N THR A 96 12.313 -27.665 -17.864 1.00 53.53 N ATOM 1482 CA THR A 96 10.908 -27.542 -17.496 1.00 1.55 C ATOM 1483 C THR A 96 10.559 -26.103 -17.134 1.00 13.54 C ATOM 1484 O THR A 96 9.405 -25.688 -17.241 1.00 64.31 O ATOM 1485 CB THR A 96 10.557 -28.457 -16.308 1.00 32.32 C ATOM 1486 OG1 THR A 96 9.165 -28.337 -15.991 1.00 65.03 O ATOM 1487 CG2 THR A 96 11.392 -28.104 -15.087 1.00 23.34 C ATOM 0 H THR A 96 12.836 -28.344 -17.311 1.00 53.53 H new ATOM 0 HA THR A 96 10.325 -27.847 -18.365 1.00 1.55 H new ATOM 0 HB THR A 96 10.777 -29.486 -16.594 1.00 32.32 H new ATOM 0 HG1 THR A 96 8.950 -28.923 -15.236 1.00 65.03 H new ATOM 0 HG21 THR A 96 11.126 -28.764 -14.261 1.00 23.34 H new ATOM 0 HG22 THR A 96 12.449 -28.225 -15.322 1.00 23.34 H new ATOM 0 HG23 THR A 96 11.200 -27.070 -14.801 1.00 23.34 H new ATOM 1495 N ASN A 97 11.563 -25.345 -16.705 1.00 13.51 N ATOM 1496 CA ASN A 97 11.361 -23.950 -16.327 1.00 73.51 C ATOM 1497 C ASN A 97 10.719 -23.166 -17.467 1.00 13.50 C ATOM 1498 O ASN A 97 10.016 -22.182 -17.239 1.00 3.33 O ATOM 1499 CB ASN A 97 12.693 -23.308 -15.938 1.00 4.34 C ATOM 1500 CG ASN A 97 12.514 -22.120 -15.011 1.00 71.43 C ATOM 1501 OD1 ASN A 97 11.404 -21.619 -14.835 1.00 55.44 O ATOM 1502 ND2 ASN A 97 13.609 -21.665 -14.414 1.00 21.30 N ATOM 0 H ASN A 97 12.524 -25.673 -16.610 1.00 13.51 H new ATOM 0 HA ASN A 97 10.689 -23.925 -15.469 1.00 73.51 H new ATOM 0 HB2 ASN A 97 13.324 -24.052 -15.452 1.00 4.34 H new ATOM 0 HB3 ASN A 97 13.215 -22.987 -16.839 1.00 4.34 H new ATOM 0 HD21 ASN A 97 13.550 -20.869 -13.780 1.00 21.30 H new ATOM 0 HD22 ASN A 97 14.509 -22.112 -14.590 1.00 21.30 H new ATOM 1509 N GLY A 98 10.965 -23.609 -18.696 1.00 71.01 N ATOM 1510 CA GLY A 98 10.403 -22.937 -19.853 1.00 64.25 C ATOM 1511 C GLY A 98 10.770 -21.467 -19.905 1.00 32.21 C ATOM 1512 O GLY A 98 9.912 -20.614 -20.132 1.00 11.32 O ATOM 0 H GLY A 98 11.543 -24.421 -18.911 1.00 71.01 H new ATOM 0 HA2 GLY A 98 10.754 -23.428 -20.761 1.00 64.25 H new ATOM 0 HA3 GLY A 98 9.318 -23.037 -19.836 1.00 64.25 H new ATOM 1516 N PHE A 99 12.047 -21.170 -19.692 1.00 43.41 N ATOM 1517 CA PHE A 99 12.525 -19.792 -19.713 1.00 0.04 C ATOM 1518 C PHE A 99 12.459 -19.214 -21.123 1.00 62.44 C ATOM 1519 O PHE A 99 12.338 -18.003 -21.306 1.00 1.20 O ATOM 1520 CB PHE A 99 13.960 -19.720 -19.186 1.00 51.52 C ATOM 1521 CG PHE A 99 14.587 -18.364 -19.341 1.00 4.31 C ATOM 1522 CD1 PHE A 99 15.263 -18.027 -20.503 1.00 11.12 C ATOM 1523 CD2 PHE A 99 14.502 -17.426 -18.324 1.00 63.22 C ATOM 1524 CE1 PHE A 99 15.841 -16.780 -20.649 1.00 3.14 C ATOM 1525 CE2 PHE A 99 15.078 -16.178 -18.464 1.00 41.35 C ATOM 1526 CZ PHE A 99 15.750 -15.855 -19.628 1.00 15.45 C ATOM 0 H PHE A 99 12.770 -21.864 -19.503 1.00 43.41 H new ATOM 0 HA PHE A 99 11.878 -19.199 -19.067 1.00 0.04 H new ATOM 0 HB2 PHE A 99 13.966 -19.996 -18.132 1.00 51.52 H new ATOM 0 HB3 PHE A 99 14.569 -20.456 -19.711 1.00 51.52 H new ATOM 0 HD1 PHE A 99 15.339 -18.747 -21.304 1.00 11.12 H new ATOM 0 HD2 PHE A 99 13.980 -17.674 -17.412 1.00 63.22 H new ATOM 0 HE1 PHE A 99 16.363 -16.529 -21.561 1.00 3.14 H new ATOM 0 HE2 PHE A 99 15.003 -15.455 -17.665 1.00 41.35 H new ATOM 0 HZ PHE A 99 16.203 -14.881 -19.739 1.00 15.45 H new ATOM 1536 N LYS A 100 12.540 -20.090 -22.119 1.00 63.41 N ATOM 1537 CA LYS A 100 12.489 -19.670 -23.514 1.00 65.34 C ATOM 1538 C LYS A 100 11.270 -18.792 -23.774 1.00 75.22 C ATOM 1539 O LYS A 100 11.354 -17.788 -24.481 1.00 22.55 O ATOM 1540 CB LYS A 100 12.457 -20.892 -24.435 1.00 41.05 C ATOM 1541 CG LYS A 100 11.359 -21.883 -24.092 1.00 72.54 C ATOM 1542 CD LYS A 100 11.529 -23.189 -24.852 1.00 13.43 C ATOM 1543 CE LYS A 100 10.412 -24.170 -24.530 1.00 53.24 C ATOM 1544 NZ LYS A 100 10.583 -25.461 -25.252 1.00 23.21 N ATOM 0 H LYS A 100 12.641 -21.096 -21.985 1.00 63.41 H new ATOM 0 HA LYS A 100 13.386 -19.087 -23.725 1.00 65.34 H new ATOM 0 HB2 LYS A 100 12.325 -20.558 -25.464 1.00 41.05 H new ATOM 0 HB3 LYS A 100 13.421 -21.399 -24.386 1.00 41.05 H new ATOM 0 HG2 LYS A 100 11.368 -22.081 -23.020 1.00 72.54 H new ATOM 0 HG3 LYS A 100 10.388 -21.448 -24.328 1.00 72.54 H new ATOM 0 HD2 LYS A 100 11.541 -22.989 -25.923 1.00 13.43 H new ATOM 0 HD3 LYS A 100 12.491 -23.635 -24.600 1.00 13.43 H new ATOM 0 HE2 LYS A 100 10.389 -24.355 -23.456 1.00 53.24 H new ATOM 0 HE3 LYS A 100 9.452 -23.728 -24.798 1.00 53.24 H new ATOM 0 HZ1 LYS A 100 9.802 -26.102 -25.006 1.00 23.21 H new ATOM 0 HZ2 LYS A 100 10.579 -25.288 -26.278 1.00 23.21 H new ATOM 0 HZ3 LYS A 100 11.487 -25.895 -24.977 1.00 23.21 H new ATOM 1558 N GLY A 101 10.135 -19.177 -23.197 1.00 2.22 N ATOM 1559 CA GLY A 101 8.915 -18.413 -23.377 1.00 52.41 C ATOM 1560 C GLY A 101 8.842 -17.211 -22.456 1.00 34.12 C ATOM 1561 O GLY A 101 8.297 -16.169 -22.824 1.00 33.45 O ATOM 0 H GLY A 101 10.039 -20.004 -22.608 1.00 2.22 H new ATOM 0 HA2 GLY A 101 8.849 -18.078 -24.412 1.00 52.41 H new ATOM 0 HA3 GLY A 101 8.056 -19.059 -23.196 1.00 52.41 H new ATOM 1565 N LEU A 102 9.390 -17.355 -21.254 1.00 53.13 N ATOM 1566 CA LEU A 102 9.383 -16.273 -20.276 1.00 1.21 C ATOM 1567 C LEU A 102 10.206 -15.087 -20.769 1.00 65.43 C ATOM 1568 O LEU A 102 9.925 -13.939 -20.428 1.00 41.04 O ATOM 1569 CB LEU A 102 9.931 -16.767 -18.936 1.00 44.11 C ATOM 1570 CG LEU A 102 10.322 -15.684 -17.930 1.00 50.41 C ATOM 1571 CD1 LEU A 102 9.098 -14.893 -17.495 1.00 11.01 C ATOM 1572 CD2 LEU A 102 11.017 -16.300 -16.725 1.00 30.40 C ATOM 0 H LEU A 102 9.844 -18.210 -20.934 1.00 53.13 H new ATOM 0 HA LEU A 102 8.352 -15.945 -20.142 1.00 1.21 H new ATOM 0 HB2 LEU A 102 9.181 -17.410 -18.474 1.00 44.11 H new ATOM 0 HB3 LEU A 102 10.806 -17.387 -19.131 1.00 44.11 H new ATOM 0 HG LEU A 102 11.018 -15.000 -18.415 1.00 50.41 H new ATOM 0 HD11 LEU A 102 9.395 -14.127 -16.779 1.00 11.01 H new ATOM 0 HD12 LEU A 102 8.643 -14.420 -18.365 1.00 11.01 H new ATOM 0 HD13 LEU A 102 8.377 -15.565 -17.029 1.00 11.01 H new ATOM 0 HD21 LEU A 102 11.288 -15.514 -16.020 1.00 30.40 H new ATOM 0 HD22 LEU A 102 10.345 -17.007 -16.239 1.00 30.40 H new ATOM 0 HD23 LEU A 102 11.917 -16.821 -17.051 1.00 30.40 H new ATOM 1584 N MET A 103 11.223 -15.375 -21.575 1.00 43.54 N ATOM 1585 CA MET A 103 12.085 -14.331 -22.119 1.00 24.33 C ATOM 1586 C MET A 103 11.277 -13.330 -22.937 1.00 41.25 C ATOM 1587 O MET A 103 11.386 -12.119 -22.740 1.00 60.44 O ATOM 1588 CB MET A 103 13.184 -14.948 -22.986 1.00 61.43 C ATOM 1589 CG MET A 103 14.195 -13.935 -23.498 1.00 61.32 C ATOM 1590 SD MET A 103 15.351 -13.402 -22.221 1.00 42.25 S ATOM 1591 CE MET A 103 14.667 -11.803 -21.792 1.00 31.34 C ATOM 0 H MET A 103 11.470 -16.321 -21.866 1.00 43.54 H new ATOM 0 HA MET A 103 12.545 -13.803 -21.284 1.00 24.33 H new ATOM 0 HB2 MET A 103 13.707 -15.710 -22.408 1.00 61.43 H new ATOM 0 HB3 MET A 103 12.725 -15.452 -23.836 1.00 61.43 H new ATOM 0 HG2 MET A 103 14.752 -14.370 -24.328 1.00 61.32 H new ATOM 0 HG3 MET A 103 13.666 -13.066 -23.890 1.00 61.32 H new ATOM 0 HE1 MET A 103 15.110 -11.456 -20.858 1.00 31.34 H new ATOM 0 HE2 MET A 103 14.887 -11.088 -22.585 1.00 31.34 H new ATOM 0 HE3 MET A 103 13.587 -11.890 -21.671 1.00 31.34 H new ATOM 1601 N LYS A 104 10.466 -13.842 -23.857 1.00 43.32 N ATOM 1602 CA LYS A 104 9.638 -12.993 -24.706 1.00 5.01 C ATOM 1603 C LYS A 104 8.499 -12.370 -23.906 1.00 33.20 C ATOM 1604 O LYS A 104 8.050 -11.263 -24.205 1.00 62.54 O ATOM 1605 CB LYS A 104 9.072 -13.802 -25.875 1.00 24.52 C ATOM 1606 CG LYS A 104 8.848 -12.980 -27.132 1.00 21.11 C ATOM 1607 CD LYS A 104 10.141 -12.776 -27.903 1.00 5.43 C ATOM 1608 CE LYS A 104 10.541 -14.030 -28.665 1.00 34.25 C ATOM 1609 NZ LYS A 104 11.385 -13.714 -29.850 1.00 75.21 N ATOM 0 H LYS A 104 10.364 -14.841 -24.034 1.00 43.32 H new ATOM 0 HA LYS A 104 10.265 -12.192 -25.097 1.00 5.01 H new ATOM 0 HB2 LYS A 104 9.754 -14.621 -26.103 1.00 24.52 H new ATOM 0 HB3 LYS A 104 8.126 -14.251 -25.571 1.00 24.52 H new ATOM 0 HG2 LYS A 104 8.118 -13.480 -27.769 1.00 21.11 H new ATOM 0 HG3 LYS A 104 8.427 -12.011 -26.864 1.00 21.11 H new ATOM 0 HD2 LYS A 104 10.022 -11.947 -28.601 1.00 5.43 H new ATOM 0 HD3 LYS A 104 10.938 -12.499 -27.212 1.00 5.43 H new ATOM 0 HE2 LYS A 104 11.085 -14.701 -28.000 1.00 34.25 H new ATOM 0 HE3 LYS A 104 9.645 -14.560 -28.988 1.00 34.25 H new ATOM 0 HZ1 LYS A 104 11.636 -14.595 -30.342 1.00 75.21 H new ATOM 0 HZ2 LYS A 104 10.857 -13.095 -30.497 1.00 75.21 H new ATOM 0 HZ3 LYS A 104 12.252 -13.231 -29.540 1.00 75.21 H new ATOM 1623 N ARG A 105 8.036 -13.087 -22.887 1.00 71.43 N ATOM 1624 CA ARG A 105 6.949 -12.604 -22.044 1.00 72.35 C ATOM 1625 C ARG A 105 7.411 -11.439 -21.175 1.00 44.44 C ATOM 1626 O ARG A 105 6.643 -10.520 -20.888 1.00 33.43 O ATOM 1627 CB ARG A 105 6.420 -13.735 -21.160 1.00 54.02 C ATOM 1628 CG ARG A 105 5.141 -14.369 -21.683 1.00 12.04 C ATOM 1629 CD ARG A 105 4.411 -15.133 -20.589 1.00 14.31 C ATOM 1630 NE ARG A 105 3.770 -16.342 -21.100 1.00 12.52 N ATOM 1631 CZ ARG A 105 3.080 -17.185 -20.340 1.00 1.11 C ATOM 1632 NH1 ARG A 105 2.942 -16.952 -19.042 1.00 22.11 N ATOM 1633 NH2 ARG A 105 2.526 -18.264 -20.878 1.00 40.23 N ATOM 0 H ARG A 105 8.397 -14.004 -22.625 1.00 71.43 H new ATOM 0 HA ARG A 105 6.147 -12.254 -22.694 1.00 72.35 H new ATOM 0 HB2 ARG A 105 7.187 -14.504 -21.071 1.00 54.02 H new ATOM 0 HB3 ARG A 105 6.240 -13.347 -20.157 1.00 54.02 H new ATOM 0 HG2 ARG A 105 4.488 -13.595 -22.086 1.00 12.04 H new ATOM 0 HG3 ARG A 105 5.378 -15.045 -22.505 1.00 12.04 H new ATOM 0 HD2 ARG A 105 5.116 -15.401 -19.802 1.00 14.31 H new ATOM 0 HD3 ARG A 105 3.658 -14.487 -20.136 1.00 14.31 H new ATOM 0 HE ARG A 105 3.857 -16.550 -22.095 1.00 12.52 H new ATOM 0 HH11 ARG A 105 3.366 -16.124 -18.625 1.00 22.11 H new ATOM 0 HH12 ARG A 105 2.412 -17.601 -18.461 1.00 22.11 H new ATOM 0 HH21 ARG A 105 2.630 -18.447 -21.876 1.00 40.23 H new ATOM 0 HH22 ARG A 105 1.996 -18.911 -20.293 1.00 40.23 H new ATOM 1647 N THR A 106 8.673 -11.482 -20.759 1.00 43.30 N ATOM 1648 CA THR A 106 9.238 -10.431 -19.922 1.00 23.12 C ATOM 1649 C THR A 106 9.702 -9.247 -20.763 1.00 35.21 C ATOM 1650 O THR A 106 9.362 -8.098 -20.478 1.00 33.31 O ATOM 1651 CB THR A 106 10.426 -10.952 -19.091 1.00 62.43 C ATOM 1652 OG1 THR A 106 11.302 -11.725 -19.920 1.00 40.42 O ATOM 1653 CG2 THR A 106 9.941 -11.803 -17.927 1.00 51.21 C ATOM 0 H THR A 106 9.323 -12.234 -20.988 1.00 43.30 H new ATOM 0 HA THR A 106 8.446 -10.106 -19.247 1.00 23.12 H new ATOM 0 HB THR A 106 10.966 -10.093 -18.693 1.00 62.43 H new ATOM 0 HG1 THR A 106 10.991 -12.654 -19.947 1.00 40.42 H new ATOM 0 HG21 THR A 106 10.798 -12.159 -17.355 1.00 51.21 H new ATOM 0 HG22 THR A 106 9.298 -11.205 -17.282 1.00 51.21 H new ATOM 0 HG23 THR A 106 9.380 -12.656 -18.309 1.00 51.21 H new ATOM 1661 N THR A 107 10.479 -9.534 -21.802 1.00 45.22 N ATOM 1662 CA THR A 107 10.990 -8.493 -22.685 1.00 51.40 C ATOM 1663 C THR A 107 9.863 -7.599 -23.190 1.00 50.11 C ATOM 1664 O THR A 107 10.045 -6.395 -23.373 1.00 24.03 O ATOM 1665 CB THR A 107 11.733 -9.094 -23.893 1.00 20.34 C ATOM 1666 OG1 THR A 107 12.737 -10.011 -23.443 1.00 1.11 O ATOM 1667 CG2 THR A 107 12.377 -8.001 -24.732 1.00 13.23 C ATOM 0 H THR A 107 10.768 -10.479 -22.053 1.00 45.22 H new ATOM 0 HA THR A 107 11.689 -7.897 -22.098 1.00 51.40 H new ATOM 0 HB THR A 107 11.008 -9.623 -24.511 1.00 20.34 H new ATOM 0 HG1 THR A 107 12.400 -10.928 -23.518 1.00 1.11 H new ATOM 0 HG21 THR A 107 12.896 -8.450 -25.579 1.00 13.23 H new ATOM 0 HG22 THR A 107 11.607 -7.321 -25.097 1.00 13.23 H new ATOM 0 HG23 THR A 107 13.091 -7.447 -24.122 1.00 13.23 H new ATOM 1675 N LYS A 108 8.697 -8.195 -23.414 1.00 13.20 N ATOM 1676 CA LYS A 108 7.538 -7.453 -23.896 1.00 50.24 C ATOM 1677 C LYS A 108 7.257 -6.245 -23.008 1.00 40.12 C ATOM 1678 O LYS A 108 6.812 -5.200 -23.486 1.00 32.42 O ATOM 1679 CB LYS A 108 6.308 -8.362 -23.943 1.00 52.12 C ATOM 1680 CG LYS A 108 5.205 -7.847 -24.852 1.00 0.32 C ATOM 1681 CD LYS A 108 5.483 -8.177 -26.309 1.00 10.03 C ATOM 1682 CE LYS A 108 4.807 -9.474 -26.725 1.00 32.31 C ATOM 1683 NZ LYS A 108 5.666 -10.660 -26.452 1.00 13.22 N ATOM 0 H LYS A 108 8.529 -9.191 -23.269 1.00 13.20 H new ATOM 0 HA LYS A 108 7.759 -7.098 -24.903 1.00 50.24 H new ATOM 0 HB2 LYS A 108 6.612 -9.353 -24.280 1.00 52.12 H new ATOM 0 HB3 LYS A 108 5.912 -8.476 -22.934 1.00 52.12 H new ATOM 0 HG2 LYS A 108 4.253 -8.285 -24.554 1.00 0.32 H new ATOM 0 HG3 LYS A 108 5.110 -6.768 -24.734 1.00 0.32 H new ATOM 0 HD2 LYS A 108 5.130 -7.362 -26.941 1.00 10.03 H new ATOM 0 HD3 LYS A 108 6.559 -8.259 -26.466 1.00 10.03 H new ATOM 0 HE2 LYS A 108 3.863 -9.579 -26.191 1.00 32.31 H new ATOM 0 HE3 LYS A 108 4.569 -9.435 -27.788 1.00 32.31 H new ATOM 0 HZ1 LYS A 108 5.326 -11.470 -27.008 1.00 13.22 H new ATOM 0 HZ2 LYS A 108 6.648 -10.446 -26.718 1.00 13.22 H new ATOM 0 HZ3 LYS A 108 5.624 -10.893 -25.439 1.00 13.22 H new ATOM 1697 N LEU A 109 7.521 -6.393 -21.715 1.00 32.42 N ATOM 1698 CA LEU A 109 7.298 -5.314 -20.760 1.00 12.44 C ATOM 1699 C LEU A 109 8.400 -4.264 -20.857 1.00 24.11 C ATOM 1700 O LEU A 109 8.126 -3.067 -20.953 1.00 2.04 O ATOM 1701 CB LEU A 109 7.232 -5.871 -19.336 1.00 44.44 C ATOM 1702 CG LEU A 109 5.843 -6.263 -18.832 1.00 41.33 C ATOM 1703 CD1 LEU A 109 5.190 -7.253 -19.784 1.00 12.11 C ATOM 1704 CD2 LEU A 109 5.930 -6.846 -17.429 1.00 72.15 C ATOM 0 H LEU A 109 7.890 -7.250 -21.304 1.00 32.42 H new ATOM 0 HA LEU A 109 6.347 -4.839 -21.002 1.00 12.44 H new ATOM 0 HB2 LEU A 109 7.878 -6.748 -19.280 1.00 44.44 H new ATOM 0 HB3 LEU A 109 7.646 -5.126 -18.656 1.00 44.44 H new ATOM 0 HG LEU A 109 5.225 -5.366 -18.793 1.00 41.33 H new ATOM 0 HD11 LEU A 109 4.202 -7.521 -19.409 1.00 12.11 H new ATOM 0 HD12 LEU A 109 5.093 -6.799 -20.770 1.00 12.11 H new ATOM 0 HD13 LEU A 109 5.806 -8.149 -19.856 1.00 12.11 H new ATOM 0 HD21 LEU A 109 4.932 -7.119 -17.086 1.00 72.15 H new ATOM 0 HD22 LEU A 109 6.565 -7.732 -17.442 1.00 72.15 H new ATOM 0 HD23 LEU A 109 6.356 -6.105 -16.753 1.00 72.15 H new ATOM 1716 N LEU A 110 9.648 -4.720 -20.834 1.00 72.31 N ATOM 1717 CA LEU A 110 10.793 -3.821 -20.922 1.00 41.02 C ATOM 1718 C LEU A 110 10.750 -3.009 -22.213 1.00 20.30 C ATOM 1719 O LEU A 110 11.079 -1.823 -22.225 1.00 13.25 O ATOM 1720 CB LEU A 110 12.098 -4.616 -20.850 1.00 33.33 C ATOM 1721 CG LEU A 110 12.330 -5.409 -19.563 1.00 2.53 C ATOM 1722 CD1 LEU A 110 13.361 -6.503 -19.789 1.00 21.43 C ATOM 1723 CD2 LEU A 110 12.771 -4.482 -18.439 1.00 31.35 C ATOM 0 H LEU A 110 9.892 -5.707 -20.755 1.00 72.31 H new ATOM 0 HA LEU A 110 10.748 -3.132 -20.079 1.00 41.02 H new ATOM 0 HB2 LEU A 110 12.124 -5.310 -21.690 1.00 33.33 H new ATOM 0 HB3 LEU A 110 12.930 -3.924 -20.982 1.00 33.33 H new ATOM 0 HG LEU A 110 11.390 -5.879 -19.273 1.00 2.53 H new ATOM 0 HD11 LEU A 110 13.513 -7.057 -18.862 1.00 21.43 H new ATOM 0 HD12 LEU A 110 13.006 -7.183 -20.564 1.00 21.43 H new ATOM 0 HD13 LEU A 110 14.304 -6.055 -20.103 1.00 21.43 H new ATOM 0 HD21 LEU A 110 12.932 -5.062 -17.531 1.00 31.35 H new ATOM 0 HD22 LEU A 110 13.699 -3.985 -18.721 1.00 31.35 H new ATOM 0 HD23 LEU A 110 11.998 -3.734 -18.260 1.00 31.35 H new ATOM 1735 N LYS A 111 10.341 -3.656 -23.299 1.00 74.00 N ATOM 1736 CA LYS A 111 10.250 -2.995 -24.595 1.00 44.24 C ATOM 1737 C LYS A 111 9.334 -1.777 -24.523 1.00 24.24 C ATOM 1738 O LYS A 111 9.425 -0.869 -25.349 1.00 14.01 O ATOM 1739 CB LYS A 111 9.735 -3.972 -25.654 1.00 55.45 C ATOM 1740 CG LYS A 111 10.821 -4.848 -26.254 1.00 54.11 C ATOM 1741 CD LYS A 111 11.753 -4.047 -27.147 1.00 63.34 C ATOM 1742 CE LYS A 111 12.391 -4.923 -28.215 1.00 21.33 C ATOM 1743 NZ LYS A 111 13.232 -5.999 -27.620 1.00 1.21 N ATOM 0 H LYS A 111 10.067 -4.638 -23.307 1.00 74.00 H new ATOM 0 HA LYS A 111 11.249 -2.660 -24.874 1.00 44.24 H new ATOM 0 HB2 LYS A 111 8.972 -4.609 -25.208 1.00 55.45 H new ATOM 0 HB3 LYS A 111 9.253 -3.408 -26.452 1.00 55.45 H new ATOM 0 HG2 LYS A 111 11.395 -5.316 -25.455 1.00 54.11 H new ATOM 0 HG3 LYS A 111 10.364 -5.652 -26.831 1.00 54.11 H new ATOM 0 HD2 LYS A 111 11.198 -3.238 -27.622 1.00 63.34 H new ATOM 0 HD3 LYS A 111 12.532 -3.585 -26.540 1.00 63.34 H new ATOM 0 HE2 LYS A 111 11.611 -5.370 -28.831 1.00 21.33 H new ATOM 0 HE3 LYS A 111 13.003 -4.306 -28.873 1.00 21.33 H new ATOM 0 HZ1 LYS A 111 13.676 -6.553 -28.380 1.00 1.21 H new ATOM 0 HZ2 LYS A 111 13.971 -5.573 -27.025 1.00 1.21 H new ATOM 0 HZ3 LYS A 111 12.637 -6.623 -27.039 1.00 1.21 H new ATOM 1757 N LYS A 112 8.454 -1.764 -23.528 1.00 14.11 N ATOM 1758 CA LYS A 112 7.522 -0.657 -23.345 1.00 5.14 C ATOM 1759 C LYS A 112 8.164 0.465 -22.534 1.00 34.23 C ATOM 1760 O LYS A 112 7.839 1.639 -22.714 1.00 60.51 O ATOM 1761 CB LYS A 112 6.251 -1.143 -22.645 1.00 70.45 C ATOM 1762 CG LYS A 112 5.004 -1.034 -23.506 1.00 0.12 C ATOM 1763 CD LYS A 112 4.582 -2.388 -24.050 1.00 75.12 C ATOM 1764 CE LYS A 112 3.394 -2.264 -24.992 1.00 70.24 C ATOM 1765 NZ LYS A 112 2.197 -2.982 -24.473 1.00 71.04 N ATOM 0 H LYS A 112 8.366 -2.508 -22.835 1.00 14.11 H new ATOM 0 HA LYS A 112 7.261 -0.268 -24.329 1.00 5.14 H new ATOM 0 HB2 LYS A 112 6.386 -2.182 -22.345 1.00 70.45 H new ATOM 0 HB3 LYS A 112 6.105 -0.565 -21.733 1.00 70.45 H new ATOM 0 HG2 LYS A 112 4.191 -0.608 -22.918 1.00 0.12 H new ATOM 0 HG3 LYS A 112 5.191 -0.350 -24.334 1.00 0.12 H new ATOM 0 HD2 LYS A 112 5.419 -2.847 -24.576 1.00 75.12 H new ATOM 0 HD3 LYS A 112 4.324 -3.050 -23.223 1.00 75.12 H new ATOM 0 HE2 LYS A 112 3.152 -1.211 -25.135 1.00 70.24 H new ATOM 0 HE3 LYS A 112 3.662 -2.665 -25.970 1.00 70.24 H new ATOM 0 HZ1 LYS A 112 1.409 -2.873 -25.143 1.00 71.04 H new ATOM 0 HZ2 LYS A 112 2.419 -3.992 -24.361 1.00 71.04 H new ATOM 0 HZ3 LYS A 112 1.925 -2.583 -23.552 1.00 71.04 H new ATOM 1779 N VAL A 113 9.077 0.096 -21.641 1.00 13.12 N ATOM 1780 CA VAL A 113 9.765 1.072 -20.804 1.00 65.42 C ATOM 1781 C VAL A 113 10.937 1.703 -21.548 1.00 2.15 C ATOM 1782 O VAL A 113 11.223 2.889 -21.384 1.00 41.44 O ATOM 1783 CB VAL A 113 10.283 0.429 -19.503 1.00 41.44 C ATOM 1784 CG1 VAL A 113 10.809 1.495 -18.554 1.00 15.21 C ATOM 1785 CG2 VAL A 113 9.186 -0.392 -18.842 1.00 45.31 C ATOM 0 H VAL A 113 9.357 -0.871 -21.479 1.00 13.12 H new ATOM 0 HA VAL A 113 9.038 1.845 -20.554 1.00 65.42 H new ATOM 0 HB VAL A 113 11.107 -0.241 -19.751 1.00 41.44 H new ATOM 0 HG11 VAL A 113 11.171 1.023 -17.641 1.00 15.21 H new ATOM 0 HG12 VAL A 113 11.626 2.036 -19.031 1.00 15.21 H new ATOM 0 HG13 VAL A 113 10.007 2.192 -18.309 1.00 15.21 H new ATOM 0 HG21 VAL A 113 9.569 -0.839 -17.925 1.00 45.31 H new ATOM 0 HG22 VAL A 113 8.340 0.254 -18.606 1.00 45.31 H new ATOM 0 HG23 VAL A 113 8.862 -1.180 -19.522 1.00 45.31 H new ATOM 1795 N VAL A 114 11.613 0.902 -22.366 1.00 12.34 N ATOM 1796 CA VAL A 114 12.753 1.383 -23.136 1.00 64.23 C ATOM 1797 C VAL A 114 12.361 2.559 -24.024 1.00 31.34 C ATOM 1798 O VAL A 114 13.177 3.436 -24.306 1.00 41.01 O ATOM 1799 CB VAL A 114 13.347 0.266 -24.015 1.00 42.24 C ATOM 1800 CG1 VAL A 114 13.667 -0.961 -23.176 1.00 71.41 C ATOM 1801 CG2 VAL A 114 12.393 -0.085 -25.147 1.00 32.03 C ATOM 0 H VAL A 114 11.390 -0.083 -22.512 1.00 12.34 H new ATOM 0 HA VAL A 114 13.505 1.710 -22.418 1.00 64.23 H new ATOM 0 HB VAL A 114 14.277 0.628 -24.454 1.00 42.24 H new ATOM 0 HG11 VAL A 114 14.086 -1.739 -23.814 1.00 71.41 H new ATOM 0 HG12 VAL A 114 14.390 -0.696 -22.405 1.00 71.41 H new ATOM 0 HG13 VAL A 114 12.755 -1.329 -22.706 1.00 71.41 H new ATOM 0 HG21 VAL A 114 12.829 -0.876 -25.758 1.00 32.03 H new ATOM 0 HG22 VAL A 114 11.446 -0.428 -24.731 1.00 32.03 H new ATOM 0 HG23 VAL A 114 12.220 0.797 -25.764 1.00 32.03 H new ATOM 1811 N ASP A 115 11.106 2.570 -24.460 1.00 2.30 N ATOM 1812 CA ASP A 115 10.604 3.640 -25.315 1.00 31.23 C ATOM 1813 C ASP A 115 10.380 4.917 -24.512 1.00 14.35 C ATOM 1814 O ASP A 115 10.151 5.987 -25.077 1.00 30.13 O ATOM 1815 CB ASP A 115 9.300 3.212 -25.990 1.00 61.13 C ATOM 1816 CG ASP A 115 9.341 3.395 -27.495 1.00 34.43 C ATOM 1817 OD1 ASP A 115 9.172 4.542 -27.958 1.00 43.31 O ATOM 1818 OD2 ASP A 115 9.541 2.390 -28.209 1.00 3.23 O ATOM 0 H ASP A 115 10.418 1.851 -24.236 1.00 2.30 H new ATOM 0 HA ASP A 115 11.352 3.841 -26.082 1.00 31.23 H new ATOM 0 HB2 ASP A 115 9.101 2.165 -25.759 1.00 61.13 H new ATOM 0 HB3 ASP A 115 8.474 3.792 -25.579 1.00 61.13 H new ATOM 1823 N LYS A 116 10.446 4.798 -23.190 1.00 15.32 N ATOM 1824 CA LYS A 116 10.250 5.942 -22.307 1.00 41.54 C ATOM 1825 C LYS A 116 11.586 6.577 -21.935 1.00 24.54 C ATOM 1826 O LYS A 116 11.808 7.765 -22.169 1.00 60.03 O ATOM 1827 CB LYS A 116 9.506 5.515 -21.041 1.00 35.52 C ATOM 1828 CG LYS A 116 8.035 5.896 -21.041 1.00 63.12 C ATOM 1829 CD LYS A 116 7.162 4.751 -21.526 1.00 63.25 C ATOM 1830 CE LYS A 116 6.756 4.937 -22.980 1.00 54.32 C ATOM 1831 NZ LYS A 116 5.372 5.473 -23.105 1.00 12.14 N ATOM 0 H LYS A 116 10.634 3.920 -22.706 1.00 15.32 H new ATOM 0 HA LYS A 116 9.652 6.681 -22.840 1.00 41.54 H new ATOM 0 HB2 LYS A 116 9.593 4.435 -20.926 1.00 35.52 H new ATOM 0 HB3 LYS A 116 9.990 5.968 -20.175 1.00 35.52 H new ATOM 0 HG2 LYS A 116 7.733 6.184 -20.034 1.00 63.12 H new ATOM 0 HG3 LYS A 116 7.884 6.766 -21.680 1.00 63.12 H new ATOM 0 HD2 LYS A 116 7.700 3.810 -21.415 1.00 63.25 H new ATOM 0 HD3 LYS A 116 6.270 4.684 -20.904 1.00 63.25 H new ATOM 0 HE2 LYS A 116 7.454 5.617 -23.468 1.00 54.32 H new ATOM 0 HE3 LYS A 116 6.824 3.982 -23.501 1.00 54.32 H new ATOM 0 HZ1 LYS A 116 5.133 5.586 -24.111 1.00 12.14 H new ATOM 0 HZ2 LYS A 116 4.702 4.812 -22.662 1.00 12.14 H new ATOM 0 HZ3 LYS A 116 5.313 6.396 -22.630 1.00 12.14 H new ATOM 1845 N HIS A 117 12.475 5.776 -21.354 1.00 14.01 N ATOM 1846 CA HIS A 117 13.791 6.259 -20.951 1.00 15.13 C ATOM 1847 C HIS A 117 14.895 5.418 -21.583 1.00 23.33 C ATOM 1848 O HIS A 117 16.018 5.886 -21.766 1.00 51.24 O ATOM 1849 CB HIS A 117 13.922 6.233 -19.428 1.00 11.54 C ATOM 1850 CG HIS A 117 12.723 6.779 -18.714 1.00 24.32 C ATOM 1851 ND1 HIS A 117 12.526 8.126 -18.495 1.00 22.22 N ATOM 1852 CD2 HIS A 117 11.655 6.150 -18.170 1.00 3.24 C ATOM 1853 CE1 HIS A 117 11.389 8.302 -17.845 1.00 45.12 C ATOM 1854 NE2 HIS A 117 10.841 7.119 -17.636 1.00 61.21 N ATOM 0 H HIS A 117 12.308 4.790 -21.152 1.00 14.01 H new ATOM 0 HA HIS A 117 13.897 7.286 -21.300 1.00 15.13 H new ATOM 0 HB2 HIS A 117 14.091 5.206 -19.104 1.00 11.54 H new ATOM 0 HB3 HIS A 117 14.801 6.808 -19.137 1.00 11.54 H new ATOM 0 HD2 HIS A 117 11.476 5.085 -18.158 1.00 3.24 H new ATOM 0 HE1 HIS A 117 10.978 9.252 -17.537 1.00 45.12 H new ATOM 0 HE2 HIS A 117 9.957 6.952 -17.156 1.00 61.21 H new ATOM 1862 N GLY A 118 14.569 4.172 -21.913 1.00 35.23 N ATOM 1863 CA GLY A 118 15.544 3.285 -22.519 1.00 40.04 C ATOM 1864 C GLY A 118 16.059 2.239 -21.550 1.00 51.42 C ATOM 1865 O GLY A 118 17.201 1.792 -21.658 1.00 41.35 O ATOM 0 H GLY A 118 13.646 3.761 -21.771 1.00 35.23 H new ATOM 0 HA2 GLY A 118 15.094 2.789 -23.379 1.00 40.04 H new ATOM 0 HA3 GLY A 118 16.382 3.873 -22.893 1.00 40.04 H new ATOM 1869 N ILE A 119 15.216 1.850 -20.600 1.00 11.02 N ATOM 1870 CA ILE A 119 15.593 0.851 -19.607 1.00 50.24 C ATOM 1871 C ILE A 119 16.155 -0.400 -20.273 1.00 72.42 C ATOM 1872 O ILE A 119 15.421 -1.168 -20.895 1.00 14.12 O ATOM 1873 CB ILE A 119 14.395 0.455 -18.724 1.00 2.42 C ATOM 1874 CG1 ILE A 119 13.940 1.648 -17.880 1.00 74.15 C ATOM 1875 CG2 ILE A 119 14.761 -0.722 -17.832 1.00 51.13 C ATOM 1876 CD1 ILE A 119 15.003 2.161 -16.935 1.00 31.33 C ATOM 0 H ILE A 119 14.268 2.211 -20.497 1.00 11.02 H new ATOM 0 HA ILE A 119 16.362 1.303 -18.980 1.00 50.24 H new ATOM 0 HB ILE A 119 13.570 0.154 -19.370 1.00 2.42 H new ATOM 0 HG12 ILE A 119 13.635 2.457 -18.544 1.00 74.15 H new ATOM 0 HG13 ILE A 119 13.061 1.360 -17.303 1.00 74.15 H new ATOM 0 HG21 ILE A 119 13.904 -0.990 -17.214 1.00 51.13 H new ATOM 0 HG22 ILE A 119 15.043 -1.574 -18.451 1.00 51.13 H new ATOM 0 HG23 ILE A 119 15.599 -0.446 -17.191 1.00 51.13 H new ATOM 0 HD11 ILE A 119 14.610 3.006 -16.370 1.00 31.33 H new ATOM 0 HD12 ILE A 119 15.292 1.367 -16.247 1.00 31.33 H new ATOM 0 HD13 ILE A 119 15.874 2.480 -17.507 1.00 31.33 H new ATOM 1888 N ALA A 120 17.462 -0.601 -20.137 1.00 15.41 N ATOM 1889 CA ALA A 120 18.122 -1.761 -20.722 1.00 34.23 C ATOM 1890 C ALA A 120 17.885 -3.010 -19.879 1.00 52.11 C ATOM 1891 O ALA A 120 17.317 -2.936 -18.789 1.00 22.05 O ATOM 1892 CB ALA A 120 19.613 -1.499 -20.873 1.00 73.54 C ATOM 0 H ALA A 120 18.085 0.025 -19.626 1.00 15.41 H new ATOM 0 HA ALA A 120 17.693 -1.934 -21.709 1.00 34.23 H new ATOM 0 HB1 ALA A 120 20.094 -2.374 -21.311 1.00 73.54 H new ATOM 0 HB2 ALA A 120 19.767 -0.637 -21.522 1.00 73.54 H new ATOM 0 HB3 ALA A 120 20.048 -1.298 -19.894 1.00 73.54 H new