USER MOD reduce.3.24.130724 H: found=0, std=0, add=527, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 528 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 15 ASN : amide:sc= -0.204 K(o=-0.53,f=1.1) USER MOD Set 1.2: A 43 CYS SG : rot 180:sc= -0.326 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 GLN : amide:sc= -0.53 K(o=-0.53,f=-1.9) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot -77:sc= 1.24 USER MOD Single : A 13 ASN : amide:sc= -0.0123 K(o=-0.012,f=-1.3!) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 150:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 75:sc= 1.16 USER MOD Single : A 23 LYS NZ :NH3+ 172:sc= 1.18 (180deg=0.917) USER MOD Single : A 24 THR OG1 : rot 180:sc= -1.72! USER MOD Single : A 25 GLN : amide:sc= -3.44! K(o=-3.4!,f=-0.91) USER MOD Single : A 30 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0916) USER MOD Single : A 31 SER OG : rot -172:sc= 0.738 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 41 THR OG1 : rot 12:sc= 1.1 USER MOD Single : A 44 LYS NZ :NH3+ 163:sc= -0.027 (180deg=-0.348) USER MOD Single : A 51 MET CE :methyl 142:sc= -0.149 (180deg=-0.829) USER MOD Single : A 53 LYS NZ :NH3+ 131:sc= 0 (180deg=-0.449) USER MOD Single : A 55 GLN : amide:sc= -0.0273 K(o=-0.027,f=-0.68) USER MOD Single : A 60 TYR OH : rot 55:sc= -0.145 USER MOD Single : A 62 ASN : amide:sc= -0.154 X(o=-0.15,f=-0.53) USER MOD Single : A 64 ASN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot -96:sc= 0.113 USER MOD ----------------------------------------------------------------- ATOM 70 N LYS A 5 10.164 8.660 5.825 1.00 0.00 N ATOM 71 CA LYS A 5 9.031 8.012 6.477 1.00 0.00 C ATOM 72 C LYS A 5 7.950 7.600 5.483 1.00 0.00 C ATOM 73 O LYS A 5 7.249 6.612 5.707 1.00 0.00 O ATOM 74 CB LYS A 5 8.438 8.921 7.556 1.00 0.00 C ATOM 75 CG LYS A 5 9.285 8.994 8.817 1.00 0.00 C ATOM 76 CD LYS A 5 9.440 7.619 9.447 1.00 0.00 C ATOM 77 CE LYS A 5 10.264 7.668 10.723 1.00 0.00 C ATOM 78 NZ LYS A 5 10.390 6.320 11.340 1.00 0.00 N ATOM 0 HA LYS A 5 9.410 7.102 6.943 1.00 0.00 H new ATOM 0 HB2 LYS A 5 8.318 9.925 7.149 1.00 0.00 H new ATOM 0 HB3 LYS A 5 7.442 8.562 7.816 1.00 0.00 H new ATOM 0 HG2 LYS A 5 10.267 9.401 8.577 1.00 0.00 H new ATOM 0 HG3 LYS A 5 8.823 9.676 9.531 1.00 0.00 H new ATOM 0 HD2 LYS A 5 8.455 7.208 9.667 1.00 0.00 H new ATOM 0 HD3 LYS A 5 9.915 6.945 8.734 1.00 0.00 H new ATOM 0 HE2 LYS A 5 11.256 8.063 10.503 1.00 0.00 H new ATOM 0 HE3 LYS A 5 9.799 8.352 11.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 10.958 6.388 12.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 9.444 5.955 11.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 10.856 5.674 10.671 1.00 0.00 H new ATOM 92 N GLN A 6 7.822 8.336 4.383 1.00 0.00 N ATOM 93 CA GLN A 6 6.792 8.032 3.394 1.00 0.00 C ATOM 94 C GLN A 6 7.148 6.751 2.647 1.00 0.00 C ATOM 95 O GLN A 6 6.273 5.947 2.318 1.00 0.00 O ATOM 96 CB GLN A 6 6.606 9.194 2.413 1.00 0.00 C ATOM 97 CG GLN A 6 5.438 8.998 1.457 1.00 0.00 C ATOM 98 CD GLN A 6 4.114 8.833 2.182 1.00 0.00 C ATOM 99 OE1 GLN A 6 3.911 9.385 3.261 1.00 0.00 O ATOM 100 NE2 GLN A 6 3.206 8.070 1.595 1.00 0.00 N ATOM 0 H GLN A 6 8.410 9.137 4.155 1.00 0.00 H new ATOM 0 HA GLN A 6 5.847 7.886 3.917 1.00 0.00 H new ATOM 0 HB2 GLN A 6 6.454 10.115 2.977 1.00 0.00 H new ATOM 0 HB3 GLN A 6 7.521 9.322 1.835 1.00 0.00 H new ATOM 0 HG2 GLN A 6 5.376 9.853 0.784 1.00 0.00 H new ATOM 0 HG3 GLN A 6 5.622 8.119 0.839 1.00 0.00 H new ATOM 0 HE21 GLN A 6 3.413 7.629 0.699 1.00 0.00 H new ATOM 0 HE22 GLN A 6 2.299 7.923 2.039 1.00 0.00 H new ATOM 109 N LYS A 7 8.440 6.563 2.392 1.00 0.00 N ATOM 110 CA LYS A 7 8.932 5.322 1.806 1.00 0.00 C ATOM 111 C LYS A 7 8.573 4.144 2.698 1.00 0.00 C ATOM 112 O LYS A 7 8.205 3.077 2.212 1.00 0.00 O ATOM 113 CB LYS A 7 10.449 5.372 1.597 1.00 0.00 C ATOM 114 CG LYS A 7 10.896 6.326 0.502 1.00 0.00 C ATOM 115 CD LYS A 7 12.402 6.267 0.297 1.00 0.00 C ATOM 116 CE LYS A 7 12.838 7.101 -0.899 1.00 0.00 C ATOM 117 NZ LYS A 7 12.637 8.562 -0.682 1.00 0.00 N ATOM 0 H LYS A 7 9.165 7.255 2.582 1.00 0.00 H new ATOM 0 HA LYS A 7 8.456 5.197 0.833 1.00 0.00 H new ATOM 0 HB2 LYS A 7 10.924 5.664 2.534 1.00 0.00 H new ATOM 0 HB3 LYS A 7 10.805 4.370 1.358 1.00 0.00 H new ATOM 0 HG2 LYS A 7 10.390 6.075 -0.430 1.00 0.00 H new ATOM 0 HG3 LYS A 7 10.602 7.343 0.761 1.00 0.00 H new ATOM 0 HD2 LYS A 7 12.906 6.626 1.194 1.00 0.00 H new ATOM 0 HD3 LYS A 7 12.710 5.232 0.151 1.00 0.00 H new ATOM 0 HE2 LYS A 7 13.891 6.910 -1.106 1.00 0.00 H new ATOM 0 HE3 LYS A 7 12.277 6.788 -1.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 12.949 9.084 -1.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 11.629 8.752 -0.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 13.192 8.870 0.142 1.00 0.00 H new ATOM 131 N ALA A 8 8.670 4.350 4.008 1.00 0.00 N ATOM 132 CA ALA A 8 8.324 3.318 4.976 1.00 0.00 C ATOM 133 C ALA A 8 6.834 3.006 4.922 1.00 0.00 C ATOM 134 O ALA A 8 6.437 1.845 4.969 1.00 0.00 O ATOM 135 CB ALA A 8 8.730 3.749 6.376 1.00 0.00 C ATOM 0 H ALA A 8 8.987 5.226 4.423 1.00 0.00 H new ATOM 0 HA ALA A 8 8.870 2.410 4.721 1.00 0.00 H new ATOM 0 HB1 ALA A 8 8.465 2.968 7.088 1.00 0.00 H new ATOM 0 HB2 ALA A 8 9.806 3.918 6.407 1.00 0.00 H new ATOM 0 HB3 ALA A 8 8.210 4.670 6.638 1.00 0.00 H new ATOM 141 N ILE A 9 6.017 4.050 4.816 1.00 0.00 N ATOM 142 CA ILE A 9 4.569 3.887 4.695 1.00 0.00 C ATOM 143 C ILE A 9 4.222 3.088 3.440 1.00 0.00 C ATOM 144 O ILE A 9 3.474 2.109 3.501 1.00 0.00 O ATOM 145 CB ILE A 9 3.847 5.259 4.650 1.00 0.00 C ATOM 146 CG1 ILE A 9 4.063 6.019 5.962 1.00 0.00 C ATOM 147 CG2 ILE A 9 2.354 5.090 4.371 1.00 0.00 C ATOM 148 CD1 ILE A 9 3.432 7.395 5.984 1.00 0.00 C ATOM 0 H ILE A 9 6.332 5.020 4.811 1.00 0.00 H new ATOM 0 HA ILE A 9 4.227 3.344 5.576 1.00 0.00 H new ATOM 0 HB ILE A 9 4.277 5.839 3.833 1.00 0.00 H new ATOM 0 HG12 ILE A 9 3.655 5.430 6.783 1.00 0.00 H new ATOM 0 HG13 ILE A 9 5.134 6.118 6.141 1.00 0.00 H new ATOM 0 HG21 ILE A 9 1.876 6.069 4.346 1.00 0.00 H new ATOM 0 HG22 ILE A 9 2.217 4.594 3.410 1.00 0.00 H new ATOM 0 HG23 ILE A 9 1.903 4.486 5.158 1.00 0.00 H new ATOM 0 HD11 ILE A 9 3.628 7.870 6.945 1.00 0.00 H new ATOM 0 HD12 ILE A 9 3.857 8.003 5.185 1.00 0.00 H new ATOM 0 HD13 ILE A 9 2.356 7.304 5.837 1.00 0.00 H new ATOM 160 N PHE A 10 4.790 3.503 2.313 1.00 0.00 N ATOM 161 CA PHE A 10 4.538 2.853 1.033 1.00 0.00 C ATOM 162 C PHE A 10 4.968 1.385 1.071 1.00 0.00 C ATOM 163 O PHE A 10 4.175 0.488 0.776 1.00 0.00 O ATOM 164 CB PHE A 10 5.289 3.590 -0.084 1.00 0.00 C ATOM 165 CG PHE A 10 4.936 3.125 -1.471 1.00 0.00 C ATOM 166 CD1 PHE A 10 5.544 2.008 -2.024 1.00 0.00 C ATOM 167 CD2 PHE A 10 3.993 3.807 -2.220 1.00 0.00 C ATOM 168 CE1 PHE A 10 5.215 1.581 -3.295 1.00 0.00 C ATOM 169 CE2 PHE A 10 3.659 3.386 -3.492 1.00 0.00 C ATOM 170 CZ PHE A 10 4.271 2.271 -4.030 1.00 0.00 C ATOM 0 H PHE A 10 5.433 4.293 2.261 1.00 0.00 H new ATOM 0 HA PHE A 10 3.467 2.891 0.834 1.00 0.00 H new ATOM 0 HB2 PHE A 10 5.080 4.657 -0.006 1.00 0.00 H new ATOM 0 HB3 PHE A 10 6.361 3.463 0.068 1.00 0.00 H new ATOM 0 HD1 PHE A 10 6.284 1.466 -1.454 1.00 0.00 H new ATOM 0 HD2 PHE A 10 3.512 4.680 -1.804 1.00 0.00 H new ATOM 0 HE1 PHE A 10 5.695 0.709 -3.714 1.00 0.00 H new ATOM 0 HE2 PHE A 10 2.921 3.928 -4.065 1.00 0.00 H new ATOM 0 HZ PHE A 10 4.012 1.939 -5.024 1.00 0.00 H new ATOM 180 N SER A 11 6.220 1.151 1.451 1.00 0.00 N ATOM 181 CA SER A 11 6.788 -0.191 1.435 1.00 0.00 C ATOM 182 C SER A 11 6.068 -1.119 2.403 1.00 0.00 C ATOM 183 O SER A 11 5.750 -2.248 2.047 1.00 0.00 O ATOM 184 CB SER A 11 8.280 -0.140 1.760 1.00 0.00 C ATOM 185 OG SER A 11 8.523 0.577 2.959 1.00 0.00 O ATOM 0 H SER A 11 6.861 1.875 1.774 1.00 0.00 H new ATOM 0 HA SER A 11 6.655 -0.593 0.431 1.00 0.00 H new ATOM 0 HB2 SER A 11 8.668 -1.154 1.855 1.00 0.00 H new ATOM 0 HB3 SER A 11 8.818 0.331 0.937 1.00 0.00 H new ATOM 0 HG SER A 11 8.446 1.539 2.787 1.00 0.00 H new ATOM 191 N GLU A 12 5.796 -0.641 3.614 1.00 0.00 N ATOM 192 CA GLU A 12 5.158 -1.467 4.633 1.00 0.00 C ATOM 193 C GLU A 12 3.785 -1.935 4.169 1.00 0.00 C ATOM 194 O GLU A 12 3.457 -3.119 4.271 1.00 0.00 O ATOM 195 CB GLU A 12 5.035 -0.698 5.949 1.00 0.00 C ATOM 196 CG GLU A 12 4.544 -1.551 7.104 1.00 0.00 C ATOM 197 CD GLU A 12 4.572 -0.814 8.424 1.00 0.00 C ATOM 198 OE1 GLU A 12 3.597 -0.091 8.730 1.00 0.00 O ATOM 199 OE2 GLU A 12 5.572 -0.956 9.163 1.00 0.00 O ATOM 0 H GLU A 12 6.007 0.311 3.913 1.00 0.00 H new ATOM 0 HA GLU A 12 5.785 -2.344 4.797 1.00 0.00 H new ATOM 0 HB2 GLU A 12 6.007 -0.276 6.206 1.00 0.00 H new ATOM 0 HB3 GLU A 12 4.351 0.139 5.809 1.00 0.00 H new ATOM 0 HG2 GLU A 12 3.526 -1.883 6.899 1.00 0.00 H new ATOM 0 HG3 GLU A 12 5.162 -2.446 7.178 1.00 0.00 H new ATOM 206 N ASN A 13 2.995 -1.008 3.644 1.00 0.00 N ATOM 207 CA ASN A 13 1.661 -1.335 3.159 1.00 0.00 C ATOM 208 C ASN A 13 1.740 -2.309 1.992 1.00 0.00 C ATOM 209 O ASN A 13 1.043 -3.324 1.974 1.00 0.00 O ATOM 210 CB ASN A 13 0.897 -0.069 2.751 1.00 0.00 C ATOM 211 CG ASN A 13 0.491 0.779 3.944 1.00 0.00 C ATOM 212 OD1 ASN A 13 0.385 0.282 5.068 1.00 0.00 O ATOM 213 ND2 ASN A 13 0.233 2.056 3.709 1.00 0.00 N ATOM 0 H ASN A 13 3.254 -0.027 3.543 1.00 0.00 H new ATOM 0 HA ASN A 13 1.115 -1.812 3.973 1.00 0.00 H new ATOM 0 HB2 ASN A 13 1.519 0.526 2.082 1.00 0.00 H new ATOM 0 HB3 ASN A 13 0.006 -0.352 2.191 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -0.065 2.665 4.471 1.00 0.00 H new ATOM 0 HD22 ASN A 13 0.332 2.431 2.766 1.00 0.00 H new ATOM 220 N LEU A 14 2.615 -2.016 1.036 1.00 0.00 N ATOM 221 CA LEU A 14 2.779 -2.865 -0.137 1.00 0.00 C ATOM 222 C LEU A 14 3.280 -4.252 0.263 1.00 0.00 C ATOM 223 O LEU A 14 2.731 -5.265 -0.169 1.00 0.00 O ATOM 224 CB LEU A 14 3.750 -2.220 -1.128 1.00 0.00 C ATOM 225 CG LEU A 14 3.945 -2.981 -2.442 1.00 0.00 C ATOM 226 CD1 LEU A 14 2.632 -3.079 -3.205 1.00 0.00 C ATOM 227 CD2 LEU A 14 5.014 -2.311 -3.293 1.00 0.00 C ATOM 0 H LEU A 14 3.222 -1.196 1.051 1.00 0.00 H new ATOM 0 HA LEU A 14 1.806 -2.975 -0.616 1.00 0.00 H new ATOM 0 HB2 LEU A 14 3.395 -1.216 -1.358 1.00 0.00 H new ATOM 0 HB3 LEU A 14 4.720 -2.111 -0.643 1.00 0.00 H new ATOM 0 HG LEU A 14 4.278 -3.992 -2.208 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.792 -3.623 -4.136 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.897 -3.607 -2.598 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.266 -2.077 -3.429 1.00 0.00 H new ATOM 0 HD21 LEU A 14 5.139 -2.866 -4.223 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.712 -1.288 -3.518 1.00 0.00 H new ATOM 0 HD23 LEU A 14 5.958 -2.299 -2.748 1.00 0.00 H new ATOM 239 N ASN A 15 4.306 -4.281 1.109 1.00 0.00 N ATOM 240 CA ASN A 15 4.906 -5.532 1.575 1.00 0.00 C ATOM 241 C ASN A 15 3.854 -6.421 2.233 1.00 0.00 C ATOM 242 O ASN A 15 3.826 -7.636 2.017 1.00 0.00 O ATOM 243 CB ASN A 15 6.028 -5.227 2.574 1.00 0.00 C ATOM 244 CG ASN A 15 6.839 -6.450 2.960 1.00 0.00 C ATOM 245 OD1 ASN A 15 6.506 -7.158 3.911 1.00 0.00 O ATOM 246 ND2 ASN A 15 7.921 -6.691 2.234 1.00 0.00 N ATOM 0 H ASN A 15 4.745 -3.443 1.491 1.00 0.00 H new ATOM 0 HA ASN A 15 5.319 -6.062 0.716 1.00 0.00 H new ATOM 0 HB2 ASN A 15 6.694 -4.479 2.144 1.00 0.00 H new ATOM 0 HB3 ASN A 15 5.595 -4.789 3.473 1.00 0.00 H new ATOM 0 HD21 ASN A 15 8.516 -7.490 2.455 1.00 0.00 H new ATOM 0 HD22 ASN A 15 8.159 -6.078 1.454 1.00 0.00 H new ATOM 253 N SER A 16 2.979 -5.794 3.014 1.00 0.00 N ATOM 254 CA SER A 16 1.905 -6.502 3.694 1.00 0.00 C ATOM 255 C SER A 16 1.004 -7.207 2.679 1.00 0.00 C ATOM 256 O SER A 16 0.702 -8.394 2.825 1.00 0.00 O ATOM 257 CB SER A 16 1.090 -5.521 4.545 1.00 0.00 C ATOM 258 OG SER A 16 0.125 -6.195 5.335 1.00 0.00 O ATOM 0 H SER A 16 2.996 -4.790 3.191 1.00 0.00 H new ATOM 0 HA SER A 16 2.340 -7.258 4.348 1.00 0.00 H new ATOM 0 HB2 SER A 16 1.760 -4.955 5.192 1.00 0.00 H new ATOM 0 HB3 SER A 16 0.592 -4.802 3.895 1.00 0.00 H new ATOM 0 HG SER A 16 -0.376 -5.542 5.867 1.00 0.00 H new ATOM 264 N TYR A 17 0.605 -6.483 1.636 1.00 0.00 N ATOM 265 CA TYR A 17 -0.254 -7.050 0.603 1.00 0.00 C ATOM 266 C TYR A 17 0.460 -8.181 -0.129 1.00 0.00 C ATOM 267 O TYR A 17 -0.112 -9.246 -0.330 1.00 0.00 O ATOM 268 CB TYR A 17 -0.690 -5.987 -0.409 1.00 0.00 C ATOM 269 CG TYR A 17 -1.515 -4.860 0.179 1.00 0.00 C ATOM 270 CD1 TYR A 17 -2.664 -5.118 0.915 1.00 0.00 C ATOM 271 CD2 TYR A 17 -1.148 -3.535 -0.020 1.00 0.00 C ATOM 272 CE1 TYR A 17 -3.422 -4.086 1.442 1.00 0.00 C ATOM 273 CE2 TYR A 17 -1.898 -2.499 0.505 1.00 0.00 C ATOM 274 CZ TYR A 17 -3.034 -2.778 1.233 1.00 0.00 C ATOM 275 OH TYR A 17 -3.783 -1.743 1.756 1.00 0.00 O ATOM 0 H TYR A 17 0.862 -5.507 1.485 1.00 0.00 H new ATOM 0 HA TYR A 17 -1.141 -7.442 1.100 1.00 0.00 H new ATOM 0 HB2 TYR A 17 0.198 -5.564 -0.878 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -1.267 -6.470 -1.198 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -2.971 -6.140 1.079 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -0.262 -3.310 -0.595 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -4.312 -4.303 2.014 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -1.595 -1.475 0.345 1.00 0.00 H new ATOM 0 HH TYR A 17 -3.197 -0.982 1.952 1.00 0.00 H new ATOM 285 N ILE A 18 1.710 -7.944 -0.514 1.00 0.00 N ATOM 286 CA ILE A 18 2.498 -8.934 -1.252 1.00 0.00 C ATOM 287 C ILE A 18 2.545 -10.270 -0.510 1.00 0.00 C ATOM 288 O ILE A 18 2.220 -11.320 -1.073 1.00 0.00 O ATOM 289 CB ILE A 18 3.943 -8.435 -1.490 1.00 0.00 C ATOM 290 CG1 ILE A 18 3.934 -7.128 -2.285 1.00 0.00 C ATOM 291 CG2 ILE A 18 4.762 -9.493 -2.226 1.00 0.00 C ATOM 292 CD1 ILE A 18 5.291 -6.467 -2.381 1.00 0.00 C ATOM 0 H ILE A 18 2.204 -7.071 -0.328 1.00 0.00 H new ATOM 0 HA ILE A 18 2.006 -9.078 -2.214 1.00 0.00 H new ATOM 0 HB ILE A 18 4.405 -8.251 -0.520 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.564 -7.327 -3.291 1.00 0.00 H new ATOM 0 HG13 ILE A 18 3.234 -6.434 -1.820 1.00 0.00 H new ATOM 0 HG21 ILE A 18 5.775 -9.124 -2.384 1.00 0.00 H new ATOM 0 HG22 ILE A 18 4.797 -10.405 -1.630 1.00 0.00 H new ATOM 0 HG23 ILE A 18 4.299 -9.706 -3.189 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.207 -5.546 -2.958 1.00 0.00 H new ATOM 0 HD12 ILE A 18 5.655 -6.236 -1.380 1.00 0.00 H new ATOM 0 HD13 ILE A 18 5.990 -7.142 -2.874 1.00 0.00 H new ATOM 304 N ALA A 19 2.917 -10.214 0.764 1.00 0.00 N ATOM 305 CA ALA A 19 3.050 -11.416 1.577 1.00 0.00 C ATOM 306 C ALA A 19 1.695 -12.079 1.811 1.00 0.00 C ATOM 307 O ALA A 19 1.574 -13.302 1.743 1.00 0.00 O ATOM 308 CB ALA A 19 3.715 -11.085 2.907 1.00 0.00 C ATOM 0 H ALA A 19 3.132 -9.347 1.256 1.00 0.00 H new ATOM 0 HA ALA A 19 3.679 -12.121 1.034 1.00 0.00 H new ATOM 0 HB1 ALA A 19 3.807 -11.993 3.503 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.705 -10.668 2.725 1.00 0.00 H new ATOM 0 HB3 ALA A 19 3.108 -10.357 3.446 1.00 0.00 H new ATOM 314 N LYS A 20 0.675 -11.267 2.063 1.00 0.00 N ATOM 315 CA LYS A 20 -0.650 -11.777 2.383 1.00 0.00 C ATOM 316 C LYS A 20 -1.396 -12.278 1.150 1.00 0.00 C ATOM 317 O LYS A 20 -2.356 -13.039 1.273 1.00 0.00 O ATOM 318 CB LYS A 20 -1.473 -10.706 3.097 1.00 0.00 C ATOM 319 CG LYS A 20 -1.335 -10.720 4.616 1.00 0.00 C ATOM 320 CD LYS A 20 -1.880 -12.006 5.237 1.00 0.00 C ATOM 321 CE LYS A 20 -0.868 -13.148 5.196 1.00 0.00 C ATOM 322 NZ LYS A 20 -1.443 -14.426 5.694 1.00 0.00 N ATOM 0 H LYS A 20 0.742 -10.249 2.051 1.00 0.00 H new ATOM 0 HA LYS A 20 -0.511 -12.631 3.046 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -1.174 -9.726 2.725 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -2.523 -10.838 2.838 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -0.285 -10.607 4.884 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -1.865 -9.864 5.034 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -2.165 -11.814 6.271 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -2.784 -12.307 4.708 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -0.517 -13.284 4.173 1.00 0.00 H new ATOM 0 HE3 LYS A 20 0.001 -12.883 5.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -0.721 -15.173 5.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -1.755 -14.306 6.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.256 -14.694 5.104 1.00 0.00 H new ATOM 336 N SER A 21 -0.971 -11.850 -0.031 1.00 0.00 N ATOM 337 CA SER A 21 -1.572 -12.321 -1.263 1.00 0.00 C ATOM 338 C SER A 21 -0.960 -13.654 -1.680 1.00 0.00 C ATOM 339 O SER A 21 -1.495 -14.347 -2.548 1.00 0.00 O ATOM 340 CB SER A 21 -1.372 -11.282 -2.363 1.00 0.00 C ATOM 341 OG SER A 21 -1.942 -10.038 -1.992 1.00 0.00 O ATOM 0 H SER A 21 -0.214 -11.179 -0.158 1.00 0.00 H new ATOM 0 HA SER A 21 -2.640 -12.469 -1.100 1.00 0.00 H new ATOM 0 HB2 SER A 21 -0.307 -11.155 -2.560 1.00 0.00 H new ATOM 0 HB3 SER A 21 -1.827 -11.634 -3.289 1.00 0.00 H new ATOM 0 HG SER A 21 -1.375 -9.606 -1.320 1.00 0.00 H new ATOM 347 N GLU A 22 0.164 -14.000 -1.046 1.00 0.00 N ATOM 348 CA GLU A 22 0.891 -15.231 -1.348 1.00 0.00 C ATOM 349 C GLU A 22 1.278 -15.256 -2.827 1.00 0.00 C ATOM 350 O GLU A 22 1.077 -16.246 -3.536 1.00 0.00 O ATOM 351 CB GLU A 22 0.047 -16.452 -0.961 1.00 0.00 C ATOM 352 CG GLU A 22 0.801 -17.769 -1.008 1.00 0.00 C ATOM 353 CD GLU A 22 0.001 -18.910 -0.426 1.00 0.00 C ATOM 354 OE1 GLU A 22 -1.170 -19.090 -0.826 1.00 0.00 O ATOM 355 OE2 GLU A 22 0.534 -19.625 0.450 1.00 0.00 O ATOM 0 H GLU A 22 0.592 -13.436 -0.312 1.00 0.00 H new ATOM 0 HA GLU A 22 1.809 -15.266 -0.761 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -0.344 -16.305 0.046 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -0.811 -16.513 -1.630 1.00 0.00 H new ATOM 0 HG2 GLU A 22 1.060 -18.000 -2.041 1.00 0.00 H new ATOM 0 HG3 GLU A 22 1.738 -17.668 -0.460 1.00 0.00 H new ATOM 362 N LYS A 23 1.823 -14.143 -3.283 1.00 0.00 N ATOM 363 CA LYS A 23 2.261 -14.011 -4.661 1.00 0.00 C ATOM 364 C LYS A 23 3.714 -13.569 -4.685 1.00 0.00 C ATOM 365 O LYS A 23 4.126 -12.731 -3.882 1.00 0.00 O ATOM 366 CB LYS A 23 1.388 -12.995 -5.402 1.00 0.00 C ATOM 367 CG LYS A 23 0.793 -13.518 -6.705 1.00 0.00 C ATOM 368 CD LYS A 23 -0.075 -14.744 -6.466 1.00 0.00 C ATOM 369 CE LYS A 23 -0.924 -15.096 -7.681 1.00 0.00 C ATOM 370 NZ LYS A 23 -0.107 -15.381 -8.888 1.00 0.00 N ATOM 0 H LYS A 23 1.974 -13.310 -2.713 1.00 0.00 H new ATOM 0 HA LYS A 23 2.167 -14.974 -5.162 1.00 0.00 H new ATOM 0 HB2 LYS A 23 0.577 -12.681 -4.745 1.00 0.00 H new ATOM 0 HB3 LYS A 23 1.984 -12.108 -5.618 1.00 0.00 H new ATOM 0 HG2 LYS A 23 0.198 -12.735 -7.175 1.00 0.00 H new ATOM 0 HG3 LYS A 23 1.596 -13.768 -7.399 1.00 0.00 H new ATOM 0 HD2 LYS A 23 0.560 -15.592 -6.211 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -0.726 -14.565 -5.610 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -1.539 -15.966 -7.450 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -1.605 -14.272 -7.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -0.721 -15.745 -9.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 0.356 -14.507 -9.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 0.617 -16.092 -8.658 1.00 0.00 H new ATOM 384 N THR A 24 4.488 -14.147 -5.585 1.00 0.00 N ATOM 385 CA THR A 24 5.904 -13.840 -5.674 1.00 0.00 C ATOM 386 C THR A 24 6.126 -12.441 -6.236 1.00 0.00 C ATOM 387 O THR A 24 5.308 -11.938 -7.015 1.00 0.00 O ATOM 388 CB THR A 24 6.645 -14.871 -6.550 1.00 0.00 C ATOM 389 OG1 THR A 24 5.989 -15.004 -7.819 1.00 0.00 O ATOM 390 CG2 THR A 24 6.706 -16.225 -5.860 1.00 0.00 C ATOM 0 H THR A 24 4.160 -14.832 -6.265 1.00 0.00 H new ATOM 0 HA THR A 24 6.308 -13.884 -4.662 1.00 0.00 H new ATOM 0 HB THR A 24 7.663 -14.514 -6.705 1.00 0.00 H new ATOM 0 HG1 THR A 24 6.468 -15.659 -8.368 1.00 0.00 H new ATOM 0 HG21 THR A 24 7.233 -16.935 -6.497 1.00 0.00 H new ATOM 0 HG22 THR A 24 7.235 -16.127 -4.912 1.00 0.00 H new ATOM 0 HG23 THR A 24 5.694 -16.585 -5.675 1.00 0.00 H new ATOM 398 N GLN A 25 7.229 -11.815 -5.831 1.00 0.00 N ATOM 399 CA GLN A 25 7.594 -10.490 -6.328 1.00 0.00 C ATOM 400 C GLN A 25 7.641 -10.488 -7.851 1.00 0.00 C ATOM 401 O GLN A 25 7.237 -9.522 -8.496 1.00 0.00 O ATOM 402 CB GLN A 25 8.959 -10.048 -5.780 1.00 0.00 C ATOM 403 CG GLN A 25 8.989 -9.785 -4.277 1.00 0.00 C ATOM 404 CD GLN A 25 8.967 -11.052 -3.442 1.00 0.00 C ATOM 405 OE1 GLN A 25 8.417 -11.071 -2.346 1.00 0.00 O ATOM 406 NE2 GLN A 25 9.595 -12.109 -3.937 1.00 0.00 N ATOM 0 H GLN A 25 7.888 -12.206 -5.157 1.00 0.00 H new ATOM 0 HA GLN A 25 6.833 -9.789 -5.984 1.00 0.00 H new ATOM 0 HB2 GLN A 25 9.696 -10.816 -6.015 1.00 0.00 H new ATOM 0 HB3 GLN A 25 9.267 -9.141 -6.300 1.00 0.00 H new ATOM 0 HG2 GLN A 25 9.885 -9.214 -4.034 1.00 0.00 H new ATOM 0 HG3 GLN A 25 8.133 -9.166 -4.007 1.00 0.00 H new ATOM 0 HE21 GLN A 25 10.041 -12.055 -4.853 1.00 0.00 H new ATOM 0 HE22 GLN A 25 9.632 -12.977 -3.402 1.00 0.00 H new ATOM 415 N LEU A 26 8.133 -11.587 -8.409 1.00 0.00 N ATOM 416 CA LEU A 26 8.250 -11.737 -9.852 1.00 0.00 C ATOM 417 C LEU A 26 6.872 -11.720 -10.512 1.00 0.00 C ATOM 418 O LEU A 26 6.662 -11.017 -11.497 1.00 0.00 O ATOM 419 CB LEU A 26 8.979 -13.043 -10.181 1.00 0.00 C ATOM 420 CG LEU A 26 10.090 -12.931 -11.229 1.00 0.00 C ATOM 421 CD1 LEU A 26 10.804 -14.262 -11.388 1.00 0.00 C ATOM 422 CD2 LEU A 26 9.531 -12.471 -12.567 1.00 0.00 C ATOM 0 H LEU A 26 8.460 -12.394 -7.877 1.00 0.00 H new ATOM 0 HA LEU A 26 8.825 -10.898 -10.244 1.00 0.00 H new ATOM 0 HB2 LEU A 26 9.409 -13.440 -9.262 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.246 -13.770 -10.530 1.00 0.00 H new ATOM 0 HG LEU A 26 10.807 -12.186 -10.884 1.00 0.00 H new ATOM 0 HD11 LEU A 26 11.591 -14.166 -12.136 1.00 0.00 H new ATOM 0 HD12 LEU A 26 11.244 -14.555 -10.435 1.00 0.00 H new ATOM 0 HD13 LEU A 26 10.091 -15.022 -11.707 1.00 0.00 H new ATOM 0 HD21 LEU A 26 10.340 -12.399 -13.294 1.00 0.00 H new ATOM 0 HD22 LEU A 26 8.790 -13.189 -12.918 1.00 0.00 H new ATOM 0 HD23 LEU A 26 9.062 -11.494 -12.449 1.00 0.00 H new ATOM 434 N GLU A 27 5.941 -12.489 -9.955 1.00 0.00 N ATOM 435 CA GLU A 27 4.598 -12.599 -10.502 1.00 0.00 C ATOM 436 C GLU A 27 3.913 -11.233 -10.557 1.00 0.00 C ATOM 437 O GLU A 27 3.318 -10.860 -11.572 1.00 0.00 O ATOM 438 CB GLU A 27 3.792 -13.560 -9.636 1.00 0.00 C ATOM 439 CG GLU A 27 2.877 -14.474 -10.419 1.00 0.00 C ATOM 440 CD GLU A 27 1.751 -13.739 -11.114 1.00 0.00 C ATOM 441 OE1 GLU A 27 0.740 -13.428 -10.450 1.00 0.00 O ATOM 442 OE2 GLU A 27 1.868 -13.481 -12.326 1.00 0.00 O ATOM 0 H GLU A 27 6.097 -13.049 -9.117 1.00 0.00 H new ATOM 0 HA GLU A 27 4.658 -12.979 -11.522 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.480 -14.168 -9.049 1.00 0.00 H new ATOM 0 HB3 GLU A 27 3.195 -12.983 -8.930 1.00 0.00 H new ATOM 0 HG2 GLU A 27 3.463 -15.014 -11.163 1.00 0.00 H new ATOM 0 HG3 GLU A 27 2.454 -15.219 -9.745 1.00 0.00 H new ATOM 449 N ILE A 28 4.012 -10.485 -9.466 1.00 0.00 N ATOM 450 CA ILE A 28 3.414 -9.158 -9.403 1.00 0.00 C ATOM 451 C ILE A 28 4.114 -8.216 -10.380 1.00 0.00 C ATOM 452 O ILE A 28 3.467 -7.415 -11.057 1.00 0.00 O ATOM 453 CB ILE A 28 3.477 -8.573 -7.975 1.00 0.00 C ATOM 454 CG1 ILE A 28 2.915 -9.578 -6.967 1.00 0.00 C ATOM 455 CG2 ILE A 28 2.695 -7.266 -7.905 1.00 0.00 C ATOM 456 CD1 ILE A 28 3.024 -9.129 -5.525 1.00 0.00 C ATOM 0 H ILE A 28 4.498 -10.773 -8.617 1.00 0.00 H new ATOM 0 HA ILE A 28 2.365 -9.256 -9.682 1.00 0.00 H new ATOM 0 HB ILE A 28 4.519 -8.371 -7.726 1.00 0.00 H new ATOM 0 HG12 ILE A 28 1.867 -9.764 -7.201 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.441 -10.526 -7.083 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.748 -6.864 -6.893 1.00 0.00 H new ATOM 0 HG22 ILE A 28 3.124 -6.547 -8.603 1.00 0.00 H new ATOM 0 HG23 ILE A 28 1.654 -7.451 -8.168 1.00 0.00 H new ATOM 0 HD11 ILE A 28 2.604 -9.895 -4.873 1.00 0.00 H new ATOM 0 HD12 ILE A 28 4.072 -8.971 -5.271 1.00 0.00 H new ATOM 0 HD13 ILE A 28 2.474 -8.198 -5.391 1.00 0.00 H new ATOM 468 N ALA A 29 5.436 -8.347 -10.473 1.00 0.00 N ATOM 469 CA ALA A 29 6.228 -7.540 -11.394 1.00 0.00 C ATOM 470 C ALA A 29 5.783 -7.757 -12.836 1.00 0.00 C ATOM 471 O ALA A 29 5.721 -6.809 -13.621 1.00 0.00 O ATOM 472 CB ALA A 29 7.709 -7.856 -11.241 1.00 0.00 C ATOM 0 H ALA A 29 5.981 -9.007 -9.919 1.00 0.00 H new ATOM 0 HA ALA A 29 6.068 -6.491 -11.146 1.00 0.00 H new ATOM 0 HB1 ALA A 29 8.285 -7.245 -11.936 1.00 0.00 H new ATOM 0 HB2 ALA A 29 8.024 -7.639 -10.220 1.00 0.00 H new ATOM 0 HB3 ALA A 29 7.880 -8.910 -11.457 1.00 0.00 H new ATOM 478 N LYS A 30 5.458 -9.003 -13.172 1.00 0.00 N ATOM 479 CA LYS A 30 4.967 -9.345 -14.506 1.00 0.00 C ATOM 480 C LYS A 30 3.673 -8.598 -14.816 1.00 0.00 C ATOM 481 O LYS A 30 3.472 -8.107 -15.929 1.00 0.00 O ATOM 482 CB LYS A 30 4.701 -10.845 -14.606 1.00 0.00 C ATOM 483 CG LYS A 30 5.926 -11.714 -14.391 1.00 0.00 C ATOM 484 CD LYS A 30 5.542 -13.183 -14.289 1.00 0.00 C ATOM 485 CE LYS A 30 4.942 -13.701 -15.586 1.00 0.00 C ATOM 486 NZ LYS A 30 5.948 -13.746 -16.680 1.00 0.00 N ATOM 0 H LYS A 30 5.526 -9.797 -12.535 1.00 0.00 H new ATOM 0 HA LYS A 30 5.734 -9.056 -15.225 1.00 0.00 H new ATOM 0 HB2 LYS A 30 3.944 -11.117 -13.871 1.00 0.00 H new ATOM 0 HB3 LYS A 30 4.284 -11.063 -15.589 1.00 0.00 H new ATOM 0 HG2 LYS A 30 6.625 -11.574 -15.216 1.00 0.00 H new ATOM 0 HG3 LYS A 30 6.440 -11.405 -13.481 1.00 0.00 H new ATOM 0 HD2 LYS A 30 6.423 -13.772 -14.035 1.00 0.00 H new ATOM 0 HD3 LYS A 30 4.825 -13.316 -13.478 1.00 0.00 H new ATOM 0 HE2 LYS A 30 4.535 -14.699 -15.425 1.00 0.00 H new ATOM 0 HE3 LYS A 30 4.110 -13.062 -15.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 5.547 -14.243 -17.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 6.206 -12.777 -16.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 6.796 -14.250 -16.351 1.00 0.00 H new ATOM 500 N SER A 31 2.807 -8.514 -13.817 1.00 0.00 N ATOM 501 CA SER A 31 1.509 -7.877 -13.964 1.00 0.00 C ATOM 502 C SER A 31 1.656 -6.361 -14.114 1.00 0.00 C ATOM 503 O SER A 31 0.784 -5.691 -14.664 1.00 0.00 O ATOM 504 CB SER A 31 0.640 -8.218 -12.753 1.00 0.00 C ATOM 505 OG SER A 31 0.581 -9.625 -12.560 1.00 0.00 O ATOM 0 H SER A 31 2.985 -8.885 -12.884 1.00 0.00 H new ATOM 0 HA SER A 31 1.030 -8.252 -14.869 1.00 0.00 H new ATOM 0 HB2 SER A 31 1.046 -7.740 -11.861 1.00 0.00 H new ATOM 0 HB3 SER A 31 -0.366 -7.823 -12.897 1.00 0.00 H new ATOM 0 HG SER A 31 -0.078 -9.833 -11.865 1.00 0.00 H new ATOM 511 N ILE A 32 2.769 -5.831 -13.627 1.00 0.00 N ATOM 512 CA ILE A 32 3.064 -4.411 -13.756 1.00 0.00 C ATOM 513 C ILE A 32 3.784 -4.139 -15.072 1.00 0.00 C ATOM 514 O ILE A 32 3.466 -3.193 -15.794 1.00 0.00 O ATOM 515 CB ILE A 32 3.950 -3.916 -12.593 1.00 0.00 C ATOM 516 CG1 ILE A 32 3.295 -4.226 -11.247 1.00 0.00 C ATOM 517 CG2 ILE A 32 4.212 -2.424 -12.722 1.00 0.00 C ATOM 518 CD1 ILE A 32 4.190 -3.925 -10.065 1.00 0.00 C ATOM 0 H ILE A 32 3.486 -6.366 -13.137 1.00 0.00 H new ATOM 0 HA ILE A 32 2.115 -3.875 -13.732 1.00 0.00 H new ATOM 0 HB ILE A 32 4.903 -4.442 -12.641 1.00 0.00 H new ATOM 0 HG12 ILE A 32 2.376 -3.647 -11.155 1.00 0.00 H new ATOM 0 HG13 ILE A 32 3.012 -5.278 -11.222 1.00 0.00 H new ATOM 0 HG21 ILE A 32 4.838 -2.092 -11.894 1.00 0.00 H new ATOM 0 HG22 ILE A 32 4.721 -2.224 -13.665 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.265 -1.885 -12.700 1.00 0.00 H new ATOM 0 HD11 ILE A 32 3.666 -4.167 -9.141 1.00 0.00 H new ATOM 0 HD12 ILE A 32 5.098 -4.524 -10.134 1.00 0.00 H new ATOM 0 HD13 ILE A 32 4.452 -2.867 -10.067 1.00 0.00 H new ATOM 530 N GLY A 33 4.757 -4.986 -15.375 1.00 0.00 N ATOM 531 CA GLY A 33 5.569 -4.801 -16.557 1.00 0.00 C ATOM 532 C GLY A 33 6.974 -4.366 -16.203 1.00 0.00 C ATOM 533 O GLY A 33 7.691 -3.809 -17.032 1.00 0.00 O ATOM 0 H GLY A 33 4.999 -5.805 -14.817 1.00 0.00 H new ATOM 0 HA2 GLY A 33 5.607 -5.732 -17.123 1.00 0.00 H new ATOM 0 HA3 GLY A 33 5.108 -4.054 -17.203 1.00 0.00 H new ATOM 537 N VAL A 34 7.364 -4.627 -14.962 1.00 0.00 N ATOM 538 CA VAL A 34 8.667 -4.217 -14.465 1.00 0.00 C ATOM 539 C VAL A 34 9.554 -5.426 -14.215 1.00 0.00 C ATOM 540 O VAL A 34 9.114 -6.571 -14.336 1.00 0.00 O ATOM 541 CB VAL A 34 8.540 -3.400 -13.160 1.00 0.00 C ATOM 542 CG1 VAL A 34 7.749 -2.125 -13.401 1.00 0.00 C ATOM 543 CG2 VAL A 34 7.899 -4.228 -12.055 1.00 0.00 C ATOM 0 H VAL A 34 6.792 -5.124 -14.279 1.00 0.00 H new ATOM 0 HA VAL A 34 9.120 -3.588 -15.231 1.00 0.00 H new ATOM 0 HB VAL A 34 9.544 -3.127 -12.836 1.00 0.00 H new ATOM 0 HG11 VAL A 34 7.671 -1.564 -12.470 1.00 0.00 H new ATOM 0 HG12 VAL A 34 8.258 -1.517 -14.149 1.00 0.00 H new ATOM 0 HG13 VAL A 34 6.750 -2.378 -13.757 1.00 0.00 H new ATOM 0 HG21 VAL A 34 7.822 -3.628 -11.148 1.00 0.00 H new ATOM 0 HG22 VAL A 34 6.903 -4.543 -12.367 1.00 0.00 H new ATOM 0 HG23 VAL A 34 8.512 -5.107 -11.857 1.00 0.00 H new ATOM 553 N SER A 35 10.805 -5.169 -13.882 1.00 0.00 N ATOM 554 CA SER A 35 11.742 -6.232 -13.575 1.00 0.00 C ATOM 555 C SER A 35 11.775 -6.497 -12.073 1.00 0.00 C ATOM 556 O SER A 35 11.633 -5.569 -11.270 1.00 0.00 O ATOM 557 CB SER A 35 13.128 -5.846 -14.088 1.00 0.00 C ATOM 558 OG SER A 35 13.071 -5.509 -15.465 1.00 0.00 O ATOM 0 H SER A 35 11.196 -4.229 -13.817 1.00 0.00 H new ATOM 0 HA SER A 35 11.422 -7.150 -14.069 1.00 0.00 H new ATOM 0 HB2 SER A 35 13.512 -5.001 -13.516 1.00 0.00 H new ATOM 0 HB3 SER A 35 13.821 -6.674 -13.938 1.00 0.00 H new ATOM 0 HG SER A 35 13.966 -5.262 -15.779 1.00 0.00 H new ATOM 564 N PRO A 36 11.943 -7.772 -11.673 1.00 0.00 N ATOM 565 CA PRO A 36 11.984 -8.171 -10.261 1.00 0.00 C ATOM 566 C PRO A 36 13.005 -7.379 -9.444 1.00 0.00 C ATOM 567 O PRO A 36 12.788 -7.123 -8.260 1.00 0.00 O ATOM 568 CB PRO A 36 12.362 -9.659 -10.303 1.00 0.00 C ATOM 569 CG PRO A 36 12.799 -9.929 -11.704 1.00 0.00 C ATOM 570 CD PRO A 36 12.079 -8.933 -12.565 1.00 0.00 C ATOM 0 HA PRO A 36 11.030 -7.978 -9.771 1.00 0.00 H new ATOM 0 HB2 PRO A 36 13.161 -9.879 -9.595 1.00 0.00 H new ATOM 0 HB3 PRO A 36 11.513 -10.286 -10.031 1.00 0.00 H new ATOM 0 HG2 PRO A 36 13.879 -9.821 -11.803 1.00 0.00 H new ATOM 0 HG3 PRO A 36 12.553 -10.949 -11.999 1.00 0.00 H new ATOM 0 HD2 PRO A 36 12.647 -8.689 -13.463 1.00 0.00 H new ATOM 0 HD3 PRO A 36 11.109 -9.307 -12.893 1.00 0.00 H new ATOM 578 N GLN A 37 14.107 -6.985 -10.077 1.00 0.00 N ATOM 579 CA GLN A 37 15.137 -6.192 -9.408 1.00 0.00 C ATOM 580 C GLN A 37 14.566 -4.859 -8.936 1.00 0.00 C ATOM 581 O GLN A 37 14.865 -4.391 -7.835 1.00 0.00 O ATOM 582 CB GLN A 37 16.305 -5.929 -10.359 1.00 0.00 C ATOM 583 CG GLN A 37 17.537 -5.370 -9.667 1.00 0.00 C ATOM 584 CD GLN A 37 18.622 -4.956 -10.641 1.00 0.00 C ATOM 585 OE1 GLN A 37 18.729 -5.493 -11.745 1.00 0.00 O ATOM 586 NE2 GLN A 37 19.447 -4.011 -10.229 1.00 0.00 N ATOM 0 H GLN A 37 14.311 -7.202 -11.053 1.00 0.00 H new ATOM 0 HA GLN A 37 15.490 -6.756 -8.545 1.00 0.00 H new ATOM 0 HB2 GLN A 37 16.571 -6.859 -10.861 1.00 0.00 H new ATOM 0 HB3 GLN A 37 15.984 -5.230 -11.132 1.00 0.00 H new ATOM 0 HG2 GLN A 37 17.250 -4.509 -9.063 1.00 0.00 H new ATOM 0 HG3 GLN A 37 17.936 -6.120 -8.984 1.00 0.00 H new ATOM 0 HE21 GLN A 37 19.323 -3.592 -9.307 1.00 0.00 H new ATOM 0 HE22 GLN A 37 20.208 -3.700 -10.833 1.00 0.00 H new ATOM 595 N THR A 38 13.725 -4.266 -9.773 1.00 0.00 N ATOM 596 CA THR A 38 13.117 -2.979 -9.473 1.00 0.00 C ATOM 597 C THR A 38 12.045 -3.153 -8.406 1.00 0.00 C ATOM 598 O THR A 38 11.907 -2.336 -7.496 1.00 0.00 O ATOM 599 CB THR A 38 12.487 -2.360 -10.736 1.00 0.00 C ATOM 600 OG1 THR A 38 13.399 -2.478 -11.838 1.00 0.00 O ATOM 601 CG2 THR A 38 12.148 -0.894 -10.513 1.00 0.00 C ATOM 0 H THR A 38 13.447 -4.661 -10.672 1.00 0.00 H new ATOM 0 HA THR A 38 13.896 -2.309 -9.109 1.00 0.00 H new ATOM 0 HB THR A 38 11.566 -2.898 -10.958 1.00 0.00 H new ATOM 0 HG1 THR A 38 12.995 -2.085 -12.640 1.00 0.00 H new ATOM 0 HG21 THR A 38 11.705 -0.481 -11.419 1.00 0.00 H new ATOM 0 HG22 THR A 38 11.439 -0.806 -9.690 1.00 0.00 H new ATOM 0 HG23 THR A 38 13.057 -0.343 -10.270 1.00 0.00 H new ATOM 609 N PHE A 39 11.309 -4.247 -8.515 1.00 0.00 N ATOM 610 CA PHE A 39 10.265 -4.569 -7.558 1.00 0.00 C ATOM 611 C PHE A 39 10.876 -4.827 -6.181 1.00 0.00 C ATOM 612 O PHE A 39 10.294 -4.482 -5.151 1.00 0.00 O ATOM 613 CB PHE A 39 9.493 -5.799 -8.039 1.00 0.00 C ATOM 614 CG PHE A 39 8.180 -6.008 -7.336 1.00 0.00 C ATOM 615 CD1 PHE A 39 8.115 -6.730 -6.158 1.00 0.00 C ATOM 616 CD2 PHE A 39 7.010 -5.479 -7.857 1.00 0.00 C ATOM 617 CE1 PHE A 39 6.911 -6.922 -5.511 1.00 0.00 C ATOM 618 CE2 PHE A 39 5.803 -5.666 -7.212 1.00 0.00 C ATOM 619 CZ PHE A 39 5.754 -6.390 -6.038 1.00 0.00 C ATOM 0 H PHE A 39 11.417 -4.932 -9.263 1.00 0.00 H new ATOM 0 HA PHE A 39 9.577 -3.727 -7.477 1.00 0.00 H new ATOM 0 HB2 PHE A 39 9.310 -5.705 -9.109 1.00 0.00 H new ATOM 0 HB3 PHE A 39 10.114 -6.684 -7.898 1.00 0.00 H new ATOM 0 HD1 PHE A 39 9.018 -7.149 -5.739 1.00 0.00 H new ATOM 0 HD2 PHE A 39 7.042 -4.914 -8.777 1.00 0.00 H new ATOM 0 HE1 PHE A 39 6.876 -7.489 -4.592 1.00 0.00 H new ATOM 0 HE2 PHE A 39 4.898 -5.246 -7.626 1.00 0.00 H new ATOM 0 HZ PHE A 39 4.811 -6.539 -5.533 1.00 0.00 H new ATOM 629 N ASN A 40 12.066 -5.417 -6.179 1.00 0.00 N ATOM 630 CA ASN A 40 12.770 -5.737 -4.942 1.00 0.00 C ATOM 631 C ASN A 40 13.119 -4.466 -4.171 1.00 0.00 C ATOM 632 O ASN A 40 12.977 -4.412 -2.950 1.00 0.00 O ATOM 633 CB ASN A 40 14.042 -6.531 -5.245 1.00 0.00 C ATOM 634 CG ASN A 40 14.697 -7.084 -3.993 1.00 0.00 C ATOM 635 OD1 ASN A 40 14.025 -7.444 -3.026 1.00 0.00 O ATOM 636 ND2 ASN A 40 16.018 -7.149 -4.003 1.00 0.00 N ATOM 0 H ASN A 40 12.567 -5.685 -7.026 1.00 0.00 H new ATOM 0 HA ASN A 40 12.110 -6.346 -4.324 1.00 0.00 H new ATOM 0 HB2 ASN A 40 13.801 -7.354 -5.918 1.00 0.00 H new ATOM 0 HB3 ASN A 40 14.751 -5.889 -5.768 1.00 0.00 H new ATOM 0 HD21 ASN A 40 16.517 -7.508 -3.189 1.00 0.00 H new ATOM 0 HD22 ASN A 40 16.538 -6.840 -4.825 1.00 0.00 H new ATOM 643 N THR A 41 13.559 -3.432 -4.883 1.00 0.00 N ATOM 644 CA THR A 41 13.911 -2.173 -4.238 1.00 0.00 C ATOM 645 C THR A 41 12.679 -1.471 -3.657 1.00 0.00 C ATOM 646 O THR A 41 12.793 -0.650 -2.745 1.00 0.00 O ATOM 647 CB THR A 41 14.673 -1.225 -5.188 1.00 0.00 C ATOM 648 OG1 THR A 41 14.053 -1.185 -6.481 1.00 0.00 O ATOM 649 CG2 THR A 41 16.123 -1.664 -5.334 1.00 0.00 C ATOM 0 H THR A 41 13.679 -3.441 -5.896 1.00 0.00 H new ATOM 0 HA THR A 41 14.580 -2.426 -3.415 1.00 0.00 H new ATOM 0 HB THR A 41 14.642 -0.226 -4.752 1.00 0.00 H new ATOM 0 HG1 THR A 41 13.177 -1.622 -6.437 1.00 0.00 H new ATOM 0 HG21 THR A 41 16.643 -0.983 -6.008 1.00 0.00 H new ATOM 0 HG22 THR A 41 16.608 -1.649 -4.358 1.00 0.00 H new ATOM 0 HG23 THR A 41 16.158 -2.674 -5.741 1.00 0.00 H new ATOM 657 N TRP A 42 11.505 -1.805 -4.182 1.00 0.00 N ATOM 658 CA TRP A 42 10.254 -1.298 -3.630 1.00 0.00 C ATOM 659 C TRP A 42 9.919 -2.034 -2.336 1.00 0.00 C ATOM 660 O TRP A 42 9.487 -1.432 -1.355 1.00 0.00 O ATOM 661 CB TRP A 42 9.108 -1.474 -4.630 1.00 0.00 C ATOM 662 CG TRP A 42 9.293 -0.725 -5.918 1.00 0.00 C ATOM 663 CD1 TRP A 42 10.091 0.363 -6.134 1.00 0.00 C ATOM 664 CD2 TRP A 42 8.644 -1.000 -7.166 1.00 0.00 C ATOM 665 NE1 TRP A 42 9.981 0.777 -7.441 1.00 0.00 N ATOM 666 CE2 TRP A 42 9.095 -0.044 -8.093 1.00 0.00 C ATOM 667 CE3 TRP A 42 7.719 -1.963 -7.585 1.00 0.00 C ATOM 668 CZ2 TRP A 42 8.658 -0.028 -9.417 1.00 0.00 C ATOM 669 CZ3 TRP A 42 7.287 -1.944 -8.898 1.00 0.00 C ATOM 670 CH2 TRP A 42 7.753 -0.982 -9.798 1.00 0.00 C ATOM 0 H TRP A 42 11.394 -2.422 -4.986 1.00 0.00 H new ATOM 0 HA TRP A 42 10.378 -0.235 -3.423 1.00 0.00 H new ATOM 0 HB2 TRP A 42 8.995 -2.535 -4.853 1.00 0.00 H new ATOM 0 HB3 TRP A 42 8.180 -1.146 -4.162 1.00 0.00 H new ATOM 0 HD1 TRP A 42 10.717 0.830 -5.388 1.00 0.00 H new ATOM 0 HE1 TRP A 42 10.477 1.565 -7.858 1.00 0.00 H new ATOM 0 HE3 TRP A 42 7.349 -2.707 -6.895 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 9.020 0.710 -10.117 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 6.577 -2.685 -9.234 1.00 0.00 H new ATOM 0 HH2 TRP A 42 7.392 -0.991 -10.816 1.00 0.00 H new ATOM 681 N CYS A 43 10.143 -3.341 -2.351 1.00 0.00 N ATOM 682 CA CYS A 43 9.882 -4.193 -1.197 1.00 0.00 C ATOM 683 C CYS A 43 10.824 -3.847 -0.044 1.00 0.00 C ATOM 684 O CYS A 43 10.473 -4.006 1.122 1.00 0.00 O ATOM 685 CB CYS A 43 10.048 -5.660 -1.604 1.00 0.00 C ATOM 686 SG CYS A 43 9.516 -6.849 -0.354 1.00 0.00 S ATOM 0 H CYS A 43 10.510 -3.840 -3.161 1.00 0.00 H new ATOM 0 HA CYS A 43 8.861 -4.027 -0.855 1.00 0.00 H new ATOM 0 HB2 CYS A 43 9.482 -5.836 -2.519 1.00 0.00 H new ATOM 0 HB3 CYS A 43 11.097 -5.843 -1.838 1.00 0.00 H new ATOM 0 HG CYS A 43 9.697 -8.057 -0.799 1.00 0.00 H new ATOM 692 N LYS A 44 12.016 -3.362 -0.384 1.00 0.00 N ATOM 693 CA LYS A 44 12.994 -2.957 0.608 1.00 0.00 C ATOM 694 C LYS A 44 12.723 -1.539 1.099 1.00 0.00 C ATOM 695 O LYS A 44 13.377 -1.059 2.023 1.00 0.00 O ATOM 696 CB LYS A 44 14.396 -3.035 0.007 1.00 0.00 C ATOM 697 CG LYS A 44 14.882 -4.450 -0.248 1.00 0.00 C ATOM 698 CD LYS A 44 14.936 -5.258 1.035 1.00 0.00 C ATOM 699 CE LYS A 44 15.632 -6.594 0.824 1.00 0.00 C ATOM 700 NZ LYS A 44 17.068 -6.423 0.469 1.00 0.00 N ATOM 0 H LYS A 44 12.324 -3.241 -1.349 1.00 0.00 H new ATOM 0 HA LYS A 44 12.920 -3.633 1.460 1.00 0.00 H new ATOM 0 HB2 LYS A 44 14.408 -2.483 -0.933 1.00 0.00 H new ATOM 0 HB3 LYS A 44 15.096 -2.537 0.678 1.00 0.00 H new ATOM 0 HG2 LYS A 44 14.219 -4.941 -0.961 1.00 0.00 H new ATOM 0 HG3 LYS A 44 15.872 -4.420 -0.702 1.00 0.00 H new ATOM 0 HD2 LYS A 44 15.462 -4.690 1.802 1.00 0.00 H new ATOM 0 HD3 LYS A 44 13.924 -5.428 1.402 1.00 0.00 H new ATOM 0 HE2 LYS A 44 15.551 -7.192 1.731 1.00 0.00 H new ATOM 0 HE3 LYS A 44 15.126 -7.146 0.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 17.571 -7.322 0.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 17.148 -6.139 -0.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 17.490 -5.689 1.073 1.00 0.00 H new ATOM 714 N GLY A 45 11.762 -0.873 0.474 1.00 0.00 N ATOM 715 CA GLY A 45 11.444 0.495 0.843 1.00 0.00 C ATOM 716 C GLY A 45 12.530 1.480 0.450 1.00 0.00 C ATOM 717 O GLY A 45 12.639 2.560 1.034 1.00 0.00 O ATOM 0 H GLY A 45 11.195 -1.255 -0.283 1.00 0.00 H new ATOM 0 HA2 GLY A 45 10.507 0.786 0.368 1.00 0.00 H new ATOM 0 HA3 GLY A 45 11.285 0.548 1.920 1.00 0.00 H new ATOM 721 N ILE A 46 13.325 1.116 -0.548 1.00 0.00 N ATOM 722 CA ILE A 46 14.429 1.957 -0.991 1.00 0.00 C ATOM 723 C ILE A 46 13.920 3.051 -1.918 1.00 0.00 C ATOM 724 O ILE A 46 14.294 4.218 -1.793 1.00 0.00 O ATOM 725 CB ILE A 46 15.507 1.134 -1.728 1.00 0.00 C ATOM 726 CG1 ILE A 46 16.053 0.040 -0.814 1.00 0.00 C ATOM 727 CG2 ILE A 46 16.641 2.035 -2.202 1.00 0.00 C ATOM 728 CD1 ILE A 46 17.061 -0.871 -1.484 1.00 0.00 C ATOM 0 H ILE A 46 13.226 0.243 -1.066 1.00 0.00 H new ATOM 0 HA ILE A 46 14.876 2.402 -0.102 1.00 0.00 H new ATOM 0 HB ILE A 46 15.047 0.669 -2.600 1.00 0.00 H new ATOM 0 HG12 ILE A 46 16.519 0.505 0.055 1.00 0.00 H new ATOM 0 HG13 ILE A 46 15.222 -0.562 -0.446 1.00 0.00 H new ATOM 0 HG21 ILE A 46 17.390 1.435 -2.719 1.00 0.00 H new ATOM 0 HG22 ILE A 46 16.246 2.789 -2.883 1.00 0.00 H new ATOM 0 HG23 ILE A 46 17.099 2.526 -1.343 1.00 0.00 H new ATOM 0 HD11 ILE A 46 17.403 -1.622 -0.772 1.00 0.00 H new ATOM 0 HD12 ILE A 46 16.595 -1.365 -2.336 1.00 0.00 H new ATOM 0 HD13 ILE A 46 17.912 -0.282 -1.827 1.00 0.00 H new ATOM 740 N ALA A 47 13.049 2.668 -2.839 1.00 0.00 N ATOM 741 CA ALA A 47 12.532 3.599 -3.827 1.00 0.00 C ATOM 742 C ALA A 47 11.022 3.468 -3.964 1.00 0.00 C ATOM 743 O ALA A 47 10.451 2.409 -3.695 1.00 0.00 O ATOM 744 CB ALA A 47 13.210 3.369 -5.170 1.00 0.00 C ATOM 0 H ALA A 47 12.686 1.718 -2.922 1.00 0.00 H new ATOM 0 HA ALA A 47 12.752 4.612 -3.490 1.00 0.00 H new ATOM 0 HB1 ALA A 47 12.814 4.073 -5.903 1.00 0.00 H new ATOM 0 HB2 ALA A 47 14.284 3.520 -5.066 1.00 0.00 H new ATOM 0 HB3 ALA A 47 13.017 2.350 -5.505 1.00 0.00 H new ATOM 750 N ILE A 48 10.383 4.552 -4.370 1.00 0.00 N ATOM 751 CA ILE A 48 8.950 4.550 -4.611 1.00 0.00 C ATOM 752 C ILE A 48 8.679 4.714 -6.098 1.00 0.00 C ATOM 753 O ILE A 48 9.205 5.632 -6.735 1.00 0.00 O ATOM 754 CB ILE A 48 8.234 5.673 -3.828 1.00 0.00 C ATOM 755 CG1 ILE A 48 8.367 5.437 -2.325 1.00 0.00 C ATOM 756 CG2 ILE A 48 6.763 5.763 -4.226 1.00 0.00 C ATOM 757 CD1 ILE A 48 7.825 6.582 -1.492 1.00 0.00 C ATOM 0 H ILE A 48 10.837 5.449 -4.540 1.00 0.00 H new ATOM 0 HA ILE A 48 8.557 3.595 -4.262 1.00 0.00 H new ATOM 0 HB ILE A 48 8.710 6.621 -4.078 1.00 0.00 H new ATOM 0 HG12 ILE A 48 7.839 4.521 -2.059 1.00 0.00 H new ATOM 0 HG13 ILE A 48 9.418 5.283 -2.079 1.00 0.00 H new ATOM 0 HG21 ILE A 48 6.281 6.561 -3.661 1.00 0.00 H new ATOM 0 HG22 ILE A 48 6.687 5.977 -5.292 1.00 0.00 H new ATOM 0 HG23 ILE A 48 6.269 4.816 -4.010 1.00 0.00 H new ATOM 0 HD11 ILE A 48 7.949 6.353 -0.434 1.00 0.00 H new ATOM 0 HD12 ILE A 48 8.369 7.496 -1.732 1.00 0.00 H new ATOM 0 HD13 ILE A 48 6.766 6.722 -1.711 1.00 0.00 H new ATOM 769 N PRO A 49 7.888 3.807 -6.674 1.00 0.00 N ATOM 770 CA PRO A 49 7.495 3.884 -8.077 1.00 0.00 C ATOM 771 C PRO A 49 6.553 5.053 -8.328 1.00 0.00 C ATOM 772 O PRO A 49 5.823 5.483 -7.434 1.00 0.00 O ATOM 773 CB PRO A 49 6.780 2.555 -8.320 1.00 0.00 C ATOM 774 CG PRO A 49 6.272 2.154 -6.979 1.00 0.00 C ATOM 775 CD PRO A 49 7.307 2.635 -5.999 1.00 0.00 C ATOM 0 HA PRO A 49 8.345 4.044 -8.740 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.965 2.668 -9.036 1.00 0.00 H new ATOM 0 HB3 PRO A 49 7.460 1.807 -8.727 1.00 0.00 H new ATOM 0 HG2 PRO A 49 5.300 2.604 -6.776 1.00 0.00 H new ATOM 0 HG3 PRO A 49 6.143 1.074 -6.915 1.00 0.00 H new ATOM 0 HD2 PRO A 49 6.861 2.902 -5.041 1.00 0.00 H new ATOM 0 HD3 PRO A 49 8.059 1.871 -5.799 1.00 0.00 H new ATOM 783 N ARG A 50 6.574 5.572 -9.543 1.00 0.00 N ATOM 784 CA ARG A 50 5.719 6.692 -9.896 1.00 0.00 C ATOM 785 C ARG A 50 4.280 6.204 -10.079 1.00 0.00 C ATOM 786 O ARG A 50 4.040 4.997 -10.169 1.00 0.00 O ATOM 787 CB ARG A 50 6.244 7.365 -11.164 1.00 0.00 C ATOM 788 CG ARG A 50 6.086 8.877 -11.168 1.00 0.00 C ATOM 789 CD ARG A 50 7.028 9.526 -12.168 1.00 0.00 C ATOM 790 NE ARG A 50 8.421 9.146 -11.922 1.00 0.00 N ATOM 791 CZ ARG A 50 9.471 9.914 -12.208 1.00 0.00 C ATOM 792 NH1 ARG A 50 9.298 11.137 -12.697 1.00 0.00 N ATOM 793 NH2 ARG A 50 10.698 9.465 -11.984 1.00 0.00 N ATOM 0 H ARG A 50 7.171 5.238 -10.299 1.00 0.00 H new ATOM 0 HA ARG A 50 5.728 7.430 -9.094 1.00 0.00 H new ATOM 0 HB2 ARG A 50 7.299 7.119 -11.284 1.00 0.00 H new ATOM 0 HB3 ARG A 50 5.720 6.952 -12.026 1.00 0.00 H new ATOM 0 HG2 ARG A 50 5.056 9.137 -11.413 1.00 0.00 H new ATOM 0 HG3 ARG A 50 6.285 9.269 -10.170 1.00 0.00 H new ATOM 0 HD2 ARG A 50 6.744 9.234 -13.179 1.00 0.00 H new ATOM 0 HD3 ARG A 50 6.930 10.610 -12.110 1.00 0.00 H new ATOM 0 HE ARG A 50 8.599 8.233 -11.504 1.00 0.00 H new ATOM 0 HH11 ARG A 50 8.356 11.494 -12.856 1.00 0.00 H new ATOM 0 HH12 ARG A 50 10.107 11.719 -12.913 1.00 0.00 H new ATOM 0 HH21 ARG A 50 10.837 8.533 -11.593 1.00 0.00 H new ATOM 0 HH22 ARG A 50 11.503 10.051 -12.202 1.00 0.00 H new ATOM 807 N MET A 51 3.333 7.140 -10.141 1.00 0.00 N ATOM 808 CA MET A 51 1.900 6.808 -10.154 1.00 0.00 C ATOM 809 C MET A 51 1.526 5.821 -11.262 1.00 0.00 C ATOM 810 O MET A 51 0.551 5.075 -11.132 1.00 0.00 O ATOM 811 CB MET A 51 1.053 8.081 -10.280 1.00 0.00 C ATOM 812 CG MET A 51 1.216 8.815 -11.605 1.00 0.00 C ATOM 813 SD MET A 51 0.242 10.335 -11.695 1.00 0.00 S ATOM 814 CE MET A 51 0.940 11.267 -10.332 1.00 0.00 C ATOM 0 H MET A 51 3.529 8.140 -10.183 1.00 0.00 H new ATOM 0 HA MET A 51 1.688 6.319 -9.203 1.00 0.00 H new ATOM 0 HB2 MET A 51 0.003 7.819 -10.150 1.00 0.00 H new ATOM 0 HB3 MET A 51 1.315 8.759 -9.468 1.00 0.00 H new ATOM 0 HG2 MET A 51 2.269 9.055 -11.754 1.00 0.00 H new ATOM 0 HG3 MET A 51 0.922 8.153 -12.419 1.00 0.00 H new ATOM 0 HE1 MET A 51 1.005 12.320 -10.607 1.00 0.00 H new ATOM 0 HE2 MET A 51 0.303 11.160 -9.454 1.00 0.00 H new ATOM 0 HE3 MET A 51 1.937 10.889 -10.105 1.00 0.00 H new ATOM 824 N GLY A 52 2.301 5.808 -12.341 1.00 0.00 N ATOM 825 CA GLY A 52 2.034 4.898 -13.439 1.00 0.00 C ATOM 826 C GLY A 52 2.138 3.443 -13.014 1.00 0.00 C ATOM 827 O GLY A 52 1.317 2.609 -13.401 1.00 0.00 O ATOM 0 H GLY A 52 3.111 6.413 -12.475 1.00 0.00 H new ATOM 0 HA2 GLY A 52 1.036 5.089 -13.833 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.739 5.090 -14.248 1.00 0.00 H new ATOM 831 N LYS A 53 3.147 3.138 -12.209 1.00 0.00 N ATOM 832 CA LYS A 53 3.359 1.776 -11.732 1.00 0.00 C ATOM 833 C LYS A 53 2.582 1.519 -10.443 1.00 0.00 C ATOM 834 O LYS A 53 2.300 0.372 -10.104 1.00 0.00 O ATOM 835 CB LYS A 53 4.854 1.497 -11.540 1.00 0.00 C ATOM 836 CG LYS A 53 5.524 0.900 -12.777 1.00 0.00 C ATOM 837 CD LYS A 53 5.314 1.762 -14.013 1.00 0.00 C ATOM 838 CE LYS A 53 5.681 1.021 -15.292 1.00 0.00 C ATOM 839 NZ LYS A 53 7.144 0.762 -15.407 1.00 0.00 N ATOM 0 H LYS A 53 3.832 3.815 -11.872 1.00 0.00 H new ATOM 0 HA LYS A 53 2.981 1.089 -12.489 1.00 0.00 H new ATOM 0 HB2 LYS A 53 5.358 2.426 -11.276 1.00 0.00 H new ATOM 0 HB3 LYS A 53 4.984 0.814 -10.700 1.00 0.00 H new ATOM 0 HG2 LYS A 53 6.592 0.787 -12.591 1.00 0.00 H new ATOM 0 HG3 LYS A 53 5.125 -0.098 -12.959 1.00 0.00 H new ATOM 0 HD2 LYS A 53 4.272 2.077 -14.063 1.00 0.00 H new ATOM 0 HD3 LYS A 53 5.917 2.666 -13.932 1.00 0.00 H new ATOM 0 HE2 LYS A 53 5.145 0.073 -15.324 1.00 0.00 H new ATOM 0 HE3 LYS A 53 5.351 1.603 -16.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 7.302 -0.237 -15.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 7.546 1.366 -16.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 7.607 0.976 -14.500 1.00 0.00 H new ATOM 853 N VAL A 54 2.227 2.587 -9.738 1.00 0.00 N ATOM 854 CA VAL A 54 1.403 2.467 -8.538 1.00 0.00 C ATOM 855 C VAL A 54 0.017 1.939 -8.897 1.00 0.00 C ATOM 856 O VAL A 54 -0.527 1.067 -8.216 1.00 0.00 O ATOM 857 CB VAL A 54 1.261 3.816 -7.799 1.00 0.00 C ATOM 858 CG1 VAL A 54 0.326 3.683 -6.605 1.00 0.00 C ATOM 859 CG2 VAL A 54 2.620 4.331 -7.355 1.00 0.00 C ATOM 0 H VAL A 54 2.495 3.543 -9.974 1.00 0.00 H new ATOM 0 HA VAL A 54 1.905 1.765 -7.872 1.00 0.00 H new ATOM 0 HB VAL A 54 0.829 4.537 -8.493 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.241 4.645 -6.100 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -0.659 3.365 -6.948 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.725 2.943 -5.911 1.00 0.00 H new ATOM 0 HG21 VAL A 54 2.497 5.282 -6.837 1.00 0.00 H new ATOM 0 HG22 VAL A 54 3.081 3.608 -6.682 1.00 0.00 H new ATOM 0 HG23 VAL A 54 3.258 4.473 -8.227 1.00 0.00 H new ATOM 869 N GLN A 55 -0.542 2.463 -9.982 1.00 0.00 N ATOM 870 CA GLN A 55 -1.845 2.020 -10.462 1.00 0.00 C ATOM 871 C GLN A 55 -1.810 0.538 -10.829 1.00 0.00 C ATOM 872 O GLN A 55 -2.771 -0.189 -10.594 1.00 0.00 O ATOM 873 CB GLN A 55 -2.271 2.863 -11.666 1.00 0.00 C ATOM 874 CG GLN A 55 -3.585 2.428 -12.301 1.00 0.00 C ATOM 875 CD GLN A 55 -4.755 2.438 -11.331 1.00 0.00 C ATOM 876 OE1 GLN A 55 -4.782 3.211 -10.373 1.00 0.00 O ATOM 877 NE2 GLN A 55 -5.742 1.594 -11.586 1.00 0.00 N ATOM 0 H GLN A 55 -0.112 3.196 -10.546 1.00 0.00 H new ATOM 0 HA GLN A 55 -2.575 2.152 -9.664 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -2.359 3.904 -11.354 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -1.485 2.822 -12.420 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.811 3.088 -13.139 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -3.469 1.424 -12.708 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -5.683 0.969 -12.390 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -6.561 1.569 -10.979 1.00 0.00 H new ATOM 886 N ALA A 56 -0.689 0.091 -11.383 1.00 0.00 N ATOM 887 CA ALA A 56 -0.530 -1.308 -11.759 1.00 0.00 C ATOM 888 C ALA A 56 -0.566 -2.209 -10.526 1.00 0.00 C ATOM 889 O ALA A 56 -1.084 -3.325 -10.571 1.00 0.00 O ATOM 890 CB ALA A 56 0.763 -1.506 -12.534 1.00 0.00 C ATOM 0 H ALA A 56 0.122 0.677 -11.581 1.00 0.00 H new ATOM 0 HA ALA A 56 -1.363 -1.587 -12.404 1.00 0.00 H new ATOM 0 HB1 ALA A 56 0.866 -2.556 -12.807 1.00 0.00 H new ATOM 0 HB2 ALA A 56 0.743 -0.896 -13.437 1.00 0.00 H new ATOM 0 HB3 ALA A 56 1.608 -1.208 -11.914 1.00 0.00 H new ATOM 896 N LEU A 57 -0.013 -1.710 -9.424 1.00 0.00 N ATOM 897 CA LEU A 57 -0.069 -2.409 -8.148 1.00 0.00 C ATOM 898 C LEU A 57 -1.500 -2.447 -7.627 1.00 0.00 C ATOM 899 O LEU A 57 -2.028 -3.511 -7.305 1.00 0.00 O ATOM 900 CB LEU A 57 0.827 -1.709 -7.124 1.00 0.00 C ATOM 901 CG LEU A 57 2.331 -1.858 -7.351 1.00 0.00 C ATOM 902 CD1 LEU A 57 3.101 -0.856 -6.501 1.00 0.00 C ATOM 903 CD2 LEU A 57 2.771 -3.275 -7.021 1.00 0.00 C ATOM 0 H LEU A 57 0.481 -0.818 -9.392 1.00 0.00 H new ATOM 0 HA LEU A 57 0.284 -3.429 -8.299 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.582 -0.647 -7.119 1.00 0.00 H new ATOM 0 HB3 LEU A 57 0.587 -2.096 -6.134 1.00 0.00 H new ATOM 0 HG LEU A 57 2.546 -1.657 -8.401 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.170 -0.977 -6.675 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.801 0.157 -6.771 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.884 -1.030 -5.447 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.844 -3.371 -7.186 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.544 -3.493 -5.977 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.241 -3.979 -7.662 1.00 0.00 H new ATOM 915 N ALA A 58 -2.129 -1.277 -7.574 1.00 0.00 N ATOM 916 CA ALA A 58 -3.480 -1.154 -7.044 1.00 0.00 C ATOM 917 C ALA A 58 -4.470 -1.997 -7.839 1.00 0.00 C ATOM 918 O ALA A 58 -5.332 -2.660 -7.267 1.00 0.00 O ATOM 919 CB ALA A 58 -3.911 0.302 -7.041 1.00 0.00 C ATOM 0 H ALA A 58 -1.722 -0.398 -7.893 1.00 0.00 H new ATOM 0 HA ALA A 58 -3.473 -1.526 -6.020 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -4.923 0.381 -6.643 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -3.229 0.882 -6.419 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -3.891 0.690 -8.060 1.00 0.00 H new ATOM 925 N ASP A 59 -4.322 -1.991 -9.158 1.00 0.00 N ATOM 926 CA ASP A 59 -5.233 -2.708 -10.041 1.00 0.00 C ATOM 927 C ASP A 59 -5.087 -4.214 -9.857 1.00 0.00 C ATOM 928 O ASP A 59 -6.061 -4.959 -9.939 1.00 0.00 O ATOM 929 CB ASP A 59 -4.967 -2.326 -11.499 1.00 0.00 C ATOM 930 CG ASP A 59 -6.070 -2.774 -12.440 1.00 0.00 C ATOM 931 OD1 ASP A 59 -7.055 -2.024 -12.606 1.00 0.00 O ATOM 932 OD2 ASP A 59 -5.958 -3.873 -13.025 1.00 0.00 O ATOM 0 H ASP A 59 -3.574 -1.494 -9.642 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.254 -2.427 -9.783 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -4.853 -1.244 -11.570 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -4.023 -2.768 -11.818 1.00 0.00 H new ATOM 937 N TYR A 60 -3.865 -4.657 -9.587 1.00 0.00 N ATOM 938 CA TYR A 60 -3.598 -6.073 -9.378 1.00 0.00 C ATOM 939 C TYR A 60 -4.192 -6.545 -8.059 1.00 0.00 C ATOM 940 O TYR A 60 -4.796 -7.615 -7.982 1.00 0.00 O ATOM 941 CB TYR A 60 -2.091 -6.343 -9.392 1.00 0.00 C ATOM 942 CG TYR A 60 -1.736 -7.810 -9.264 1.00 0.00 C ATOM 943 CD1 TYR A 60 -1.965 -8.693 -10.310 1.00 0.00 C ATOM 944 CD2 TYR A 60 -1.175 -8.310 -8.095 1.00 0.00 C ATOM 945 CE1 TYR A 60 -1.649 -10.033 -10.196 1.00 0.00 C ATOM 946 CE2 TYR A 60 -0.853 -9.649 -7.975 1.00 0.00 C ATOM 947 CZ TYR A 60 -1.093 -10.506 -9.028 1.00 0.00 C ATOM 948 OH TYR A 60 -0.786 -11.843 -8.907 1.00 0.00 O ATOM 0 H TYR A 60 -3.045 -4.056 -9.508 1.00 0.00 H new ATOM 0 HA TYR A 60 -4.066 -6.627 -10.192 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -1.670 -5.956 -10.320 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -1.624 -5.792 -8.575 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -2.398 -8.326 -11.229 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -0.988 -7.642 -7.267 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -1.837 -10.707 -11.019 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -0.416 -10.022 -7.061 1.00 0.00 H new ATOM 0 HH TYR A 60 -0.200 -12.112 -9.645 1.00 0.00 H new ATOM 958 N PHE A 61 -4.046 -5.728 -7.030 1.00 0.00 N ATOM 959 CA PHE A 61 -4.481 -6.104 -5.691 1.00 0.00 C ATOM 960 C PHE A 61 -5.948 -5.754 -5.478 1.00 0.00 C ATOM 961 O PHE A 61 -6.524 -6.071 -4.437 1.00 0.00 O ATOM 962 CB PHE A 61 -3.624 -5.412 -4.629 1.00 0.00 C ATOM 963 CG PHE A 61 -2.215 -5.927 -4.544 1.00 0.00 C ATOM 964 CD1 PHE A 61 -1.961 -7.216 -4.105 1.00 0.00 C ATOM 965 CD2 PHE A 61 -1.143 -5.118 -4.888 1.00 0.00 C ATOM 966 CE1 PHE A 61 -0.666 -7.689 -4.013 1.00 0.00 C ATOM 967 CE2 PHE A 61 0.152 -5.586 -4.799 1.00 0.00 C ATOM 968 CZ PHE A 61 0.391 -6.872 -4.360 1.00 0.00 C ATOM 0 H PHE A 61 -3.630 -4.799 -7.094 1.00 0.00 H new ATOM 0 HA PHE A 61 -4.361 -7.183 -5.594 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -3.596 -4.343 -4.840 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -4.102 -5.532 -3.657 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -2.785 -7.859 -3.831 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -1.324 -4.110 -5.230 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -0.481 -8.696 -3.670 1.00 0.00 H new ATOM 0 HE2 PHE A 61 0.978 -4.946 -5.073 1.00 0.00 H new ATOM 0 HZ PHE A 61 1.404 -7.239 -4.288 1.00 0.00 H new ATOM 978 N ASN A 62 -6.530 -5.082 -6.470 1.00 0.00 N ATOM 979 CA ASN A 62 -7.933 -4.660 -6.438 1.00 0.00 C ATOM 980 C ASN A 62 -8.148 -3.598 -5.354 1.00 0.00 C ATOM 981 O ASN A 62 -9.276 -3.272 -4.983 1.00 0.00 O ATOM 982 CB ASN A 62 -8.852 -5.871 -6.221 1.00 0.00 C ATOM 983 CG ASN A 62 -10.310 -5.587 -6.542 1.00 0.00 C ATOM 984 OD1 ASN A 62 -11.091 -5.193 -5.673 1.00 0.00 O ATOM 985 ND2 ASN A 62 -10.693 -5.797 -7.793 1.00 0.00 N ATOM 0 H ASN A 62 -6.041 -4.813 -7.324 1.00 0.00 H new ATOM 0 HA ASN A 62 -8.187 -4.214 -7.399 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -8.505 -6.697 -6.842 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -8.773 -6.197 -5.184 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -11.662 -5.632 -8.064 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -10.018 -6.123 -8.485 1.00 0.00 H new ATOM 992 N ILE A 63 -7.045 -3.038 -4.874 1.00 0.00 N ATOM 993 CA ILE A 63 -7.084 -2.012 -3.845 1.00 0.00 C ATOM 994 C ILE A 63 -7.123 -0.635 -4.485 1.00 0.00 C ATOM 995 O ILE A 63 -7.240 -0.511 -5.705 1.00 0.00 O ATOM 996 CB ILE A 63 -5.862 -2.101 -2.903 1.00 0.00 C ATOM 997 CG1 ILE A 63 -4.557 -1.967 -3.697 1.00 0.00 C ATOM 998 CG2 ILE A 63 -5.887 -3.411 -2.128 1.00 0.00 C ATOM 999 CD1 ILE A 63 -3.314 -1.925 -2.835 1.00 0.00 C ATOM 0 H ILE A 63 -6.105 -3.282 -5.186 1.00 0.00 H new ATOM 0 HA ILE A 63 -7.985 -2.175 -3.254 1.00 0.00 H new ATOM 0 HB ILE A 63 -5.913 -1.277 -2.191 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -4.478 -2.804 -4.390 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -4.601 -1.059 -4.298 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -5.021 -3.460 -1.469 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -6.799 -3.465 -1.533 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -5.859 -4.247 -2.826 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -2.434 -1.829 -3.470 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.368 -1.071 -2.159 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -3.243 -2.844 -2.253 1.00 0.00 H new ATOM 1011 N ASN A 64 -7.024 0.397 -3.668 1.00 0.00 N ATOM 1012 CA ASN A 64 -7.030 1.753 -4.174 1.00 0.00 C ATOM 1013 C ASN A 64 -5.616 2.314 -4.213 1.00 0.00 C ATOM 1014 O ASN A 64 -4.748 1.899 -3.445 1.00 0.00 O ATOM 1015 CB ASN A 64 -7.932 2.644 -3.319 1.00 0.00 C ATOM 1016 CG ASN A 64 -9.394 2.247 -3.401 1.00 0.00 C ATOM 1017 OD1 ASN A 64 -9.862 1.744 -4.425 1.00 0.00 O ATOM 1018 ND2 ASN A 64 -10.124 2.456 -2.319 1.00 0.00 N ATOM 0 H ASN A 64 -6.939 0.321 -2.654 1.00 0.00 H new ATOM 0 HA ASN A 64 -7.425 1.736 -5.190 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -7.604 2.596 -2.281 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -7.822 3.680 -3.640 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -11.111 2.199 -2.312 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -9.700 2.875 -1.491 1.00 0.00 H new ATOM 1025 N LYS A 65 -5.402 3.262 -5.116 1.00 0.00 N ATOM 1026 CA LYS A 65 -4.099 3.894 -5.298 1.00 0.00 C ATOM 1027 C LYS A 65 -3.669 4.635 -4.034 1.00 0.00 C ATOM 1028 O LYS A 65 -2.481 4.726 -3.727 1.00 0.00 O ATOM 1029 CB LYS A 65 -4.171 4.866 -6.482 1.00 0.00 C ATOM 1030 CG LYS A 65 -5.195 5.970 -6.287 1.00 0.00 C ATOM 1031 CD LYS A 65 -5.527 6.676 -7.589 1.00 0.00 C ATOM 1032 CE LYS A 65 -6.539 7.787 -7.363 1.00 0.00 C ATOM 1033 NZ LYS A 65 -7.138 8.280 -8.633 1.00 0.00 N ATOM 0 H LYS A 65 -6.125 3.615 -5.743 1.00 0.00 H new ATOM 0 HA LYS A 65 -3.358 3.121 -5.501 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -3.189 5.313 -6.637 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -4.414 4.309 -7.387 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -6.106 5.548 -5.861 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -4.813 6.695 -5.569 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -4.618 7.090 -8.024 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -5.925 5.957 -8.306 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -7.331 7.424 -6.708 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -6.054 8.616 -6.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -7.821 9.036 -8.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -6.387 8.652 -9.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -7.625 7.497 -9.114 1.00 0.00 H new ATOM 1047 N SER A 66 -4.652 5.136 -3.296 1.00 0.00 N ATOM 1048 CA SER A 66 -4.409 5.937 -2.110 1.00 0.00 C ATOM 1049 C SER A 66 -3.748 5.126 -0.995 1.00 0.00 C ATOM 1050 O SER A 66 -2.937 5.657 -0.251 1.00 0.00 O ATOM 1051 CB SER A 66 -5.734 6.524 -1.633 1.00 0.00 C ATOM 1052 OG SER A 66 -6.805 5.669 -1.999 1.00 0.00 O ATOM 0 H SER A 66 -5.640 4.996 -3.506 1.00 0.00 H new ATOM 0 HA SER A 66 -3.716 6.738 -2.368 1.00 0.00 H new ATOM 0 HB2 SER A 66 -5.715 6.653 -0.551 1.00 0.00 H new ATOM 0 HB3 SER A 66 -5.881 7.512 -2.070 1.00 0.00 H new ATOM 0 HG SER A 66 -7.203 5.984 -2.837 1.00 0.00 H new ATOM 1058 N ASP A 67 -4.072 3.836 -0.918 1.00 0.00 N ATOM 1059 CA ASP A 67 -3.580 2.964 0.156 1.00 0.00 C ATOM 1060 C ASP A 67 -2.058 3.001 0.269 1.00 0.00 C ATOM 1061 O ASP A 67 -1.506 2.918 1.365 1.00 0.00 O ATOM 1062 CB ASP A 67 -4.043 1.520 -0.073 1.00 0.00 C ATOM 1063 CG ASP A 67 -5.510 1.319 0.244 1.00 0.00 C ATOM 1064 OD1 ASP A 67 -6.362 1.726 -0.571 1.00 0.00 O ATOM 1065 OD2 ASP A 67 -5.818 0.739 1.308 1.00 0.00 O ATOM 0 H ASP A 67 -4.678 3.366 -1.591 1.00 0.00 H new ATOM 0 HA ASP A 67 -3.997 3.339 1.091 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -3.859 1.244 -1.111 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -3.447 0.849 0.546 1.00 0.00 H new ATOM 1070 N LEU A 68 -1.385 3.130 -0.862 1.00 0.00 N ATOM 1071 CA LEU A 68 0.070 3.120 -0.882 1.00 0.00 C ATOM 1072 C LEU A 68 0.647 4.537 -0.815 1.00 0.00 C ATOM 1073 O LEU A 68 1.737 4.746 -0.286 1.00 0.00 O ATOM 1074 CB LEU A 68 0.565 2.417 -2.146 1.00 0.00 C ATOM 1075 CG LEU A 68 0.114 0.959 -2.306 1.00 0.00 C ATOM 1076 CD1 LEU A 68 0.607 0.383 -3.628 1.00 0.00 C ATOM 1077 CD2 LEU A 68 0.608 0.115 -1.139 1.00 0.00 C ATOM 0 H LEU A 68 -1.821 3.243 -1.777 1.00 0.00 H new ATOM 0 HA LEU A 68 0.413 2.579 -0.000 1.00 0.00 H new ATOM 0 HB2 LEU A 68 0.224 2.982 -3.013 1.00 0.00 H new ATOM 0 HB3 LEU A 68 1.655 2.446 -2.155 1.00 0.00 H new ATOM 0 HG LEU A 68 -0.976 0.938 -2.310 1.00 0.00 H new ATOM 0 HD11 LEU A 68 0.276 -0.651 -3.720 1.00 0.00 H new ATOM 0 HD12 LEU A 68 0.202 0.969 -4.453 1.00 0.00 H new ATOM 0 HD13 LEU A 68 1.696 0.419 -3.657 1.00 0.00 H new ATOM 0 HD21 LEU A 68 0.278 -0.916 -1.270 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.697 0.146 -1.103 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.203 0.510 -0.207 1.00 0.00 H new ATOM 1089 N ILE A 69 -0.094 5.501 -1.351 1.00 0.00 N ATOM 1090 CA ILE A 69 0.410 6.862 -1.518 1.00 0.00 C ATOM 1091 C ILE A 69 0.043 7.766 -0.334 1.00 0.00 C ATOM 1092 O ILE A 69 0.673 8.808 -0.112 1.00 0.00 O ATOM 1093 CB ILE A 69 -0.135 7.484 -2.831 1.00 0.00 C ATOM 1094 CG1 ILE A 69 0.229 6.608 -4.036 1.00 0.00 C ATOM 1095 CG2 ILE A 69 0.397 8.899 -3.035 1.00 0.00 C ATOM 1096 CD1 ILE A 69 1.719 6.477 -4.267 1.00 0.00 C ATOM 0 H ILE A 69 -1.050 5.365 -1.679 1.00 0.00 H new ATOM 0 HA ILE A 69 1.497 6.794 -1.564 1.00 0.00 H new ATOM 0 HB ILE A 69 -1.220 7.535 -2.746 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -0.196 5.614 -3.893 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -0.233 7.026 -4.930 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -0.003 9.308 -3.963 1.00 0.00 H new ATOM 0 HG22 ILE A 69 0.089 9.527 -2.199 1.00 0.00 H new ATOM 0 HG23 ILE A 69 1.485 8.874 -3.088 1.00 0.00 H new ATOM 0 HD11 ILE A 69 1.898 5.843 -5.136 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.148 7.463 -4.443 1.00 0.00 H new ATOM 0 HD13 ILE A 69 2.185 6.030 -3.389 1.00 0.00 H new