USER MOD reduce.3.24.130724 H: found=0, std=0, add=879, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 741 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 55 SER OG : rot -78:sc= 0.721 USER MOD Set 1.2: A 85 LYS NZ :NH3+ -153:sc= 2.21 (180deg=-0.432) USER MOD Set 2.1: A 75 ASN : amide:sc= 1.04 K(o=3.4,f=-4) USER MOD Set 2.2: A 77 LYS NZ :NH3+ 164:sc= 2.41 (180deg=0.479) USER MOD Set 3.1: A 20 GLN : amide:sc= 0.764 K(o=1.6,f=-0.8!) USER MOD Set 3.2: A 53 SER OG : rot -170:sc= 0.878 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc=-0.00949 K(o=-0.0095,f=-2.7!) USER MOD Single : A 14 LYS NZ :NH3+ 137:sc= 0.855 (180deg=-0.453) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.803 K(o=-0.8,f=-5.7!) USER MOD Single : A 28 SER OG : rot -105:sc= 1.21 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0151) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=-0.068) USER MOD Single : A 37 ASN : amide:sc= -0.0437 K(o=-0.044,f=-1.1) USER MOD Single : A 40 SER OG : rot -28:sc= 1.25 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 49:sc= 1.19 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -130:sc= 1.23 (180deg=-0.459) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -176:sc= 0.209 (180deg=0.146) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot -148:sc= 0.171 USER MOD Single : A 57 MET CE :methyl -160:sc= -0.943 (180deg=-1.52) USER MOD Single : A 59 SER OG : rot 45:sc= 1.27 USER MOD Single : A 64 THR OG1 : rot 104:sc= 1.03 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.0146) USER MOD Single : A 82 SER OG : rot -86:sc= -1.24 USER MOD Single : A 83 SER OG : rot 160:sc= -0.0736 USER MOD Single : A 87 SER OG : rot -37:sc= 0.00592 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 14:sc= 0.704 USER MOD Single : A 96 HIS : no HD1:sc= -0.305 X(o=-0.31,f=-0.66) USER MOD Single : A 99 LYS NZ :NH3+ -114:sc= 0.00532 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 THR OG1 : rot 115:sc= 0.308 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 60 N LYS A 5 1.347 -10.414 3.221 1.00 0.00 N ATOM 61 CA LYS A 5 -0.099 -10.365 3.203 1.00 0.00 C ATOM 62 C LYS A 5 -0.557 -8.985 3.596 1.00 0.00 C ATOM 63 O LYS A 5 0.235 -8.056 3.750 1.00 0.00 O ATOM 64 CB LYS A 5 -0.636 -11.466 4.138 1.00 0.00 C ATOM 65 CG LYS A 5 -1.747 -12.209 3.400 1.00 0.00 C ATOM 66 CD LYS A 5 -2.393 -13.334 4.222 1.00 0.00 C ATOM 67 CE LYS A 5 -3.153 -14.288 3.291 1.00 0.00 C ATOM 68 NZ LYS A 5 -2.270 -15.258 2.603 1.00 0.00 N ATOM 0 HA LYS A 5 -0.492 -10.555 2.204 1.00 0.00 H new ATOM 0 HB2 LYS A 5 0.163 -12.153 4.416 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -1.017 -11.030 5.061 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -2.518 -11.495 3.110 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -1.341 -12.631 2.481 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -1.627 -13.881 4.772 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -3.075 -12.912 4.960 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -3.899 -14.833 3.870 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -3.692 -13.704 2.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -2.842 -15.873 1.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -1.573 -14.745 2.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -1.774 -15.838 3.310 1.00 0.00 H new ATOM 78 N LEU A 6 -1.862 -8.859 3.749 1.00 0.00 N ATOM 79 CA LEU A 6 -2.517 -7.754 4.386 1.00 0.00 C ATOM 80 C LEU A 6 -3.366 -8.338 5.521 1.00 0.00 C ATOM 81 O LEU A 6 -3.401 -9.560 5.689 1.00 0.00 O ATOM 82 CB LEU A 6 -3.294 -6.889 3.387 1.00 0.00 C ATOM 83 CG LEU A 6 -3.481 -7.417 1.959 1.00 0.00 C ATOM 84 CD1 LEU A 6 -4.346 -8.687 1.976 1.00 0.00 C ATOM 85 CD2 LEU A 6 -4.060 -6.350 1.042 1.00 0.00 C ATOM 0 H LEU A 6 -2.518 -9.564 3.413 1.00 0.00 H new ATOM 0 HA LEU A 6 -1.797 -7.054 4.810 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.283 -6.705 3.806 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -2.791 -5.924 3.321 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.503 -7.678 1.555 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -4.473 -9.054 0.958 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -3.857 -9.452 2.579 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -5.322 -8.457 2.403 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -4.179 -6.758 0.038 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -5.031 -6.032 1.422 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -3.385 -5.495 1.008 1.00 0.00 H new ATOM 96 N ASP A 7 -4.021 -7.501 6.326 1.00 0.00 N ATOM 97 CA ASP A 7 -4.871 -7.953 7.442 1.00 0.00 C ATOM 98 C ASP A 7 -6.301 -7.461 7.282 1.00 0.00 C ATOM 99 O ASP A 7 -7.243 -8.226 7.452 1.00 0.00 O ATOM 100 CB ASP A 7 -4.302 -7.478 8.786 1.00 0.00 C ATOM 101 CG ASP A 7 -4.115 -8.648 9.755 1.00 0.00 C ATOM 102 OD1 ASP A 7 -5.082 -9.047 10.450 1.00 0.00 O ATOM 103 OD2 ASP A 7 -2.992 -9.189 9.837 1.00 0.00 O ATOM 0 H ASP A 7 -3.981 -6.487 6.227 1.00 0.00 H new ATOM 0 HA ASP A 7 -4.879 -9.043 7.427 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -3.346 -6.981 8.623 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -4.973 -6.741 9.227 1.00 0.00 H new ATOM 107 N ILE A 8 -6.425 -6.197 6.876 1.00 0.00 N ATOM 108 CA ILE A 8 -7.622 -5.464 6.510 1.00 0.00 C ATOM 109 C ILE A 8 -8.587 -5.270 7.678 1.00 0.00 C ATOM 110 O ILE A 8 -9.081 -6.197 8.317 1.00 0.00 O ATOM 111 CB ILE A 8 -8.288 -6.082 5.277 1.00 0.00 C ATOM 112 CG1 ILE A 8 -7.324 -6.097 4.077 1.00 0.00 C ATOM 113 CG2 ILE A 8 -9.537 -5.270 4.903 1.00 0.00 C ATOM 114 CD1 ILE A 8 -7.762 -7.086 3.008 1.00 0.00 C ATOM 0 H ILE A 8 -5.598 -5.606 6.789 1.00 0.00 H new ATOM 0 HA ILE A 8 -7.311 -4.456 6.237 1.00 0.00 H new ATOM 0 HB ILE A 8 -8.564 -7.108 5.520 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -7.267 -5.098 3.645 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -6.322 -6.354 4.420 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -10.009 -5.712 4.025 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -10.240 -5.279 5.736 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -9.250 -4.242 4.682 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -7.054 -7.064 2.180 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -7.794 -8.090 3.432 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -8.753 -6.814 2.645 1.00 0.00 H new ATOM 125 N VAL A 9 -8.899 -4.001 7.892 1.00 0.00 N ATOM 126 CA VAL A 9 -9.792 -3.479 8.902 1.00 0.00 C ATOM 127 C VAL A 9 -10.618 -2.393 8.211 1.00 0.00 C ATOM 128 O VAL A 9 -10.244 -1.226 8.167 1.00 0.00 O ATOM 129 CB VAL A 9 -8.975 -3.040 10.145 1.00 0.00 C ATOM 130 CG1 VAL A 9 -9.871 -2.446 11.239 1.00 0.00 C ATOM 131 CG2 VAL A 9 -8.170 -4.208 10.745 1.00 0.00 C ATOM 0 H VAL A 9 -8.502 -3.257 7.318 1.00 0.00 H new ATOM 0 HA VAL A 9 -10.492 -4.211 9.306 1.00 0.00 H new ATOM 0 HB VAL A 9 -8.285 -2.273 9.792 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -9.258 -2.152 12.091 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -10.392 -1.572 10.848 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -10.600 -3.191 11.557 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -7.612 -3.857 11.613 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -8.852 -5.002 11.048 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -7.475 -4.592 9.998 1.00 0.00 H new ATOM 141 N GLU A 10 -11.728 -2.773 7.582 1.00 0.00 N ATOM 142 CA GLU A 10 -12.674 -1.808 7.040 1.00 0.00 C ATOM 143 C GLU A 10 -13.217 -0.968 8.202 1.00 0.00 C ATOM 144 O GLU A 10 -13.832 -1.495 9.128 1.00 0.00 O ATOM 145 CB GLU A 10 -13.753 -2.490 6.185 1.00 0.00 C ATOM 146 CG GLU A 10 -13.197 -2.847 4.793 1.00 0.00 C ATOM 147 CD GLU A 10 -14.264 -3.305 3.789 1.00 0.00 C ATOM 148 OE1 GLU A 10 -15.360 -3.744 4.199 1.00 0.00 O ATOM 149 OE2 GLU A 10 -14.005 -3.169 2.571 1.00 0.00 O ATOM 0 H GLU A 10 -11.993 -3.747 7.436 1.00 0.00 H new ATOM 0 HA GLU A 10 -12.180 -1.130 6.344 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -14.104 -3.393 6.685 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -14.613 -1.829 6.080 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -12.681 -1.978 4.386 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -12.454 -3.637 4.902 1.00 0.00 H new ATOM 154 N GLN A 11 -12.873 0.321 8.200 1.00 0.00 N ATOM 155 CA GLN A 11 -13.245 1.324 9.182 1.00 0.00 C ATOM 156 C GLN A 11 -14.631 1.878 8.798 1.00 0.00 C ATOM 157 O GLN A 11 -15.395 1.200 8.112 1.00 0.00 O ATOM 158 CB GLN A 11 -12.168 2.424 9.223 1.00 0.00 C ATOM 159 CG GLN A 11 -12.160 3.218 10.547 1.00 0.00 C ATOM 160 CD GLN A 11 -12.136 4.735 10.346 1.00 0.00 C ATOM 161 OE1 GLN A 11 -12.871 5.262 9.516 1.00 0.00 O ATOM 162 NE2 GLN A 11 -11.317 5.465 11.087 1.00 0.00 N ATOM 0 H GLN A 11 -12.288 0.711 7.461 1.00 0.00 H new ATOM 0 HA GLN A 11 -13.308 0.897 10.183 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -11.188 1.970 9.073 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -12.330 3.113 8.394 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -13.042 2.950 11.128 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -11.290 2.923 11.134 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -10.712 5.014 11.773 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -11.291 6.478 10.972 1.00 0.00 H new ATOM 169 N ASP A 12 -14.960 3.109 9.194 1.00 0.00 N ATOM 170 CA ASP A 12 -16.217 3.777 8.878 1.00 0.00 C ATOM 171 C ASP A 12 -16.353 3.933 7.372 1.00 0.00 C ATOM 172 O ASP A 12 -17.299 3.438 6.768 1.00 0.00 O ATOM 173 CB ASP A 12 -16.253 5.162 9.535 1.00 0.00 C ATOM 174 CG ASP A 12 -17.659 5.759 9.518 1.00 0.00 C ATOM 175 OD1 ASP A 12 -18.558 5.159 10.150 1.00 0.00 O ATOM 176 OD2 ASP A 12 -17.855 6.875 8.992 1.00 0.00 O ATOM 0 H ASP A 12 -14.337 3.684 9.761 1.00 0.00 H new ATOM 0 HA ASP A 12 -17.042 3.174 9.258 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -15.902 5.086 10.564 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -15.568 5.830 9.013 1.00 0.00 H new ATOM 180 N ASP A 13 -15.360 4.584 6.757 1.00 0.00 N ATOM 181 CA ASP A 13 -15.336 4.850 5.323 1.00 0.00 C ATOM 182 C ASP A 13 -13.932 4.786 4.713 1.00 0.00 C ATOM 183 O ASP A 13 -13.733 5.138 3.545 1.00 0.00 O ATOM 184 CB ASP A 13 -16.054 6.156 4.970 1.00 0.00 C ATOM 185 CG ASP A 13 -15.185 7.400 5.035 1.00 0.00 C ATOM 186 OD1 ASP A 13 -14.545 7.676 6.071 1.00 0.00 O ATOM 187 OD2 ASP A 13 -15.126 8.128 4.016 1.00 0.00 O ATOM 0 H ASP A 13 -14.543 4.943 7.251 1.00 0.00 H new ATOM 0 HA ASP A 13 -15.895 4.035 4.863 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -16.463 6.068 3.964 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -16.898 6.284 5.647 1.00 0.00 H new ATOM 191 N LYS A 14 -12.946 4.285 5.458 1.00 0.00 N ATOM 192 CA LYS A 14 -11.660 3.898 4.903 1.00 0.00 C ATOM 193 C LYS A 14 -11.451 2.407 5.115 1.00 0.00 C ATOM 194 O LYS A 14 -11.962 1.855 6.084 1.00 0.00 O ATOM 195 CB LYS A 14 -10.577 4.792 5.515 1.00 0.00 C ATOM 196 CG LYS A 14 -10.309 4.563 7.007 1.00 0.00 C ATOM 197 CD LYS A 14 -9.123 5.375 7.529 1.00 0.00 C ATOM 198 CE LYS A 14 -9.392 6.880 7.426 1.00 0.00 C ATOM 199 NZ LYS A 14 -8.199 7.711 7.625 1.00 0.00 N ATOM 0 H LYS A 14 -13.022 4.138 6.464 1.00 0.00 H new ATOM 0 HA LYS A 14 -11.613 4.051 3.825 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -9.648 4.637 4.967 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -10.863 5.834 5.369 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -11.201 4.825 7.576 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -10.121 3.503 7.179 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -8.926 5.109 8.567 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -8.228 5.123 6.960 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -9.815 7.097 6.445 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -10.143 7.157 8.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -8.187 8.475 6.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -8.217 8.121 8.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -7.346 7.126 7.516 1.00 0.00 H new ATOM 209 N ALA A 15 -10.755 1.737 4.205 1.00 0.00 N ATOM 210 CA ALA A 15 -10.268 0.382 4.454 1.00 0.00 C ATOM 211 C ALA A 15 -8.855 0.490 5.024 1.00 0.00 C ATOM 212 O ALA A 15 -7.949 0.880 4.290 1.00 0.00 O ATOM 213 CB ALA A 15 -10.325 -0.467 3.177 1.00 0.00 C ATOM 0 H ALA A 15 -10.514 2.109 3.286 1.00 0.00 H new ATOM 0 HA ALA A 15 -10.905 -0.129 5.177 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -9.957 -1.471 3.391 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -11.355 -0.526 2.825 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -9.704 -0.009 2.407 1.00 0.00 H new ATOM 219 N ILE A 16 -8.662 0.192 6.316 1.00 0.00 N ATOM 220 CA ILE A 16 -7.334 0.150 6.937 1.00 0.00 C ATOM 221 C ILE A 16 -6.689 -1.178 6.504 1.00 0.00 C ATOM 222 O ILE A 16 -6.869 -2.224 7.137 1.00 0.00 O ATOM 223 CB ILE A 16 -7.466 0.336 8.473 1.00 0.00 C ATOM 224 CG1 ILE A 16 -8.126 1.684 8.836 1.00 0.00 C ATOM 225 CG2 ILE A 16 -6.134 0.215 9.223 1.00 0.00 C ATOM 226 CD1 ILE A 16 -8.690 1.698 10.260 1.00 0.00 C ATOM 0 H ILE A 16 -9.423 -0.027 6.959 1.00 0.00 H new ATOM 0 HA ILE A 16 -6.684 0.963 6.614 1.00 0.00 H new ATOM 0 HB ILE A 16 -8.107 -0.485 8.796 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -7.392 2.483 8.732 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -8.929 1.894 8.129 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -6.303 0.356 10.290 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -5.708 -0.773 9.051 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -5.443 0.976 8.862 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -9.142 2.669 10.463 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -9.445 0.918 10.360 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -7.885 1.517 10.972 1.00 0.00 H new ATOM 237 N VAL A 17 -6.014 -1.192 5.359 1.00 0.00 N ATOM 238 CA VAL A 17 -5.300 -2.351 4.837 1.00 0.00 C ATOM 239 C VAL A 17 -3.900 -2.363 5.433 1.00 0.00 C ATOM 240 O VAL A 17 -2.927 -1.826 4.906 1.00 0.00 O ATOM 241 CB VAL A 17 -5.313 -2.351 3.303 1.00 0.00 C ATOM 242 CG1 VAL A 17 -4.689 -3.657 2.788 1.00 0.00 C ATOM 243 CG2 VAL A 17 -6.737 -2.224 2.745 1.00 0.00 C ATOM 0 H VAL A 17 -5.947 -0.375 4.752 1.00 0.00 H new ATOM 0 HA VAL A 17 -5.796 -3.276 5.131 1.00 0.00 H new ATOM 0 HB VAL A 17 -4.737 -1.490 2.965 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -4.697 -3.659 1.698 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -3.661 -3.734 3.143 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -5.265 -4.506 3.157 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -6.703 -2.228 1.656 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -7.340 -3.063 3.092 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -7.181 -1.291 3.091 1.00 0.00 H new ATOM 253 N ARG A 18 -3.813 -3.040 6.568 1.00 0.00 N ATOM 254 CA ARG A 18 -2.548 -3.238 7.270 1.00 0.00 C ATOM 255 C ARG A 18 -1.713 -4.144 6.383 1.00 0.00 C ATOM 256 O ARG A 18 -2.177 -5.259 6.135 1.00 0.00 O ATOM 257 CB ARG A 18 -2.707 -3.852 8.675 1.00 0.00 C ATOM 258 CG ARG A 18 -3.977 -3.346 9.375 1.00 0.00 C ATOM 259 CD ARG A 18 -3.894 -3.308 10.905 1.00 0.00 C ATOM 260 NE ARG A 18 -4.563 -4.449 11.553 1.00 0.00 N ATOM 261 CZ ARG A 18 -4.634 -4.631 12.877 1.00 0.00 C ATOM 262 NH1 ARG A 18 -3.998 -3.822 13.716 1.00 0.00 N ATOM 263 NH2 ARG A 18 -5.353 -5.638 13.352 1.00 0.00 N ATOM 0 H ARG A 18 -4.615 -3.468 7.030 1.00 0.00 H new ATOM 0 HA ARG A 18 -2.076 -2.271 7.443 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -2.744 -4.938 8.595 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -1.835 -3.606 9.281 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -4.200 -2.343 9.012 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -4.813 -3.983 9.086 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -2.846 -3.292 11.205 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -4.342 -2.381 11.263 1.00 0.00 H new ATOM 0 HE ARG A 18 -5.002 -5.147 10.952 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -3.444 -3.046 13.354 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -4.064 -3.977 14.722 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -5.843 -6.262 12.711 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -5.416 -5.789 14.359 1.00 0.00 H new ATOM 274 N VAL A 19 -0.568 -3.715 5.861 1.00 0.00 N ATOM 275 CA VAL A 19 0.241 -4.549 4.977 1.00 0.00 C ATOM 276 C VAL A 19 1.366 -5.180 5.801 1.00 0.00 C ATOM 277 O VAL A 19 1.900 -4.559 6.722 1.00 0.00 O ATOM 278 CB VAL A 19 0.713 -3.681 3.800 1.00 0.00 C ATOM 279 CG1 VAL A 19 1.795 -4.345 2.942 1.00 0.00 C ATOM 280 CG2 VAL A 19 -0.466 -3.370 2.876 1.00 0.00 C ATOM 0 H VAL A 19 -0.177 -2.789 6.036 1.00 0.00 H new ATOM 0 HA VAL A 19 -0.318 -5.378 4.544 1.00 0.00 H new ATOM 0 HB VAL A 19 1.133 -2.782 4.250 1.00 0.00 H new ATOM 0 HG11 VAL A 19 2.079 -3.674 2.131 1.00 0.00 H new ATOM 0 HG12 VAL A 19 2.668 -4.559 3.559 1.00 0.00 H new ATOM 0 HG13 VAL A 19 1.409 -5.275 2.525 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.124 -2.754 2.044 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.882 -4.301 2.491 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -1.233 -2.833 3.433 1.00 0.00 H new ATOM 290 N GLN A 20 1.721 -6.429 5.490 1.00 0.00 N ATOM 291 CA GLN A 20 2.658 -7.230 6.250 1.00 0.00 C ATOM 292 C GLN A 20 3.688 -7.904 5.346 1.00 0.00 C ATOM 293 O GLN A 20 3.374 -8.288 4.217 1.00 0.00 O ATOM 294 CB GLN A 20 1.901 -8.293 7.050 1.00 0.00 C ATOM 295 CG GLN A 20 1.020 -7.653 8.138 1.00 0.00 C ATOM 296 CD GLN A 20 1.255 -8.336 9.471 1.00 0.00 C ATOM 297 OE1 GLN A 20 1.952 -7.804 10.334 1.00 0.00 O ATOM 298 NE2 GLN A 20 0.721 -9.528 9.645 1.00 0.00 N ATOM 0 H GLN A 20 1.348 -6.917 4.676 1.00 0.00 H new ATOM 0 HA GLN A 20 3.192 -6.564 6.929 1.00 0.00 H new ATOM 0 HB2 GLN A 20 1.280 -8.884 6.377 1.00 0.00 H new ATOM 0 HB3 GLN A 20 2.612 -8.979 7.511 1.00 0.00 H new ATOM 0 HG2 GLN A 20 1.247 -6.590 8.221 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -0.031 -7.734 7.860 1.00 0.00 H new ATOM 0 HE21 GLN A 20 0.148 -9.942 8.910 1.00 0.00 H new ATOM 0 HE22 GLN A 20 0.881 -10.037 10.515 1.00 0.00 H new ATOM 305 N GLY A 21 4.882 -8.117 5.905 1.00 0.00 N ATOM 306 CA GLY A 21 6.030 -8.717 5.243 1.00 0.00 C ATOM 307 C GLY A 21 6.748 -7.707 4.347 1.00 0.00 C ATOM 308 O GLY A 21 6.135 -6.777 3.829 1.00 0.00 O ATOM 0 H GLY A 21 5.077 -7.863 6.873 1.00 0.00 H new ATOM 0 HA2 GLY A 21 6.724 -9.100 5.991 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.704 -9.568 4.646 1.00 0.00 H new ATOM 312 N ASP A 22 8.057 -7.886 4.191 1.00 0.00 N ATOM 313 CA ASP A 22 8.962 -7.138 3.330 1.00 0.00 C ATOM 314 C ASP A 22 8.470 -7.189 1.894 1.00 0.00 C ATOM 315 O ASP A 22 7.968 -8.219 1.444 1.00 0.00 O ATOM 316 CB ASP A 22 10.381 -7.736 3.401 1.00 0.00 C ATOM 317 CG ASP A 22 11.149 -7.327 4.656 1.00 0.00 C ATOM 318 OD1 ASP A 22 10.834 -6.249 5.204 1.00 0.00 O ATOM 319 OD2 ASP A 22 12.093 -8.053 5.046 1.00 0.00 O ATOM 0 H ASP A 22 8.549 -8.617 4.705 1.00 0.00 H new ATOM 0 HA ASP A 22 8.990 -6.103 3.671 1.00 0.00 H new ATOM 0 HB2 ASP A 22 10.311 -8.823 3.365 1.00 0.00 H new ATOM 0 HB3 ASP A 22 10.944 -7.423 2.521 1.00 0.00 H new ATOM 323 N ILE A 23 8.643 -6.080 1.179 1.00 0.00 N ATOM 324 CA ILE A 23 8.044 -5.875 -0.132 1.00 0.00 C ATOM 325 C ILE A 23 9.105 -6.052 -1.229 1.00 0.00 C ATOM 326 O ILE A 23 10.098 -5.330 -1.285 1.00 0.00 O ATOM 327 CB ILE A 23 7.281 -4.534 -0.137 1.00 0.00 C ATOM 328 CG1 ILE A 23 6.621 -4.314 -1.493 1.00 0.00 C ATOM 329 CG2 ILE A 23 8.163 -3.321 0.120 1.00 0.00 C ATOM 330 CD1 ILE A 23 5.512 -3.254 -1.452 1.00 0.00 C ATOM 0 H ILE A 23 9.208 -5.293 1.498 1.00 0.00 H new ATOM 0 HA ILE A 23 7.294 -6.632 -0.358 1.00 0.00 H new ATOM 0 HB ILE A 23 6.557 -4.616 0.674 1.00 0.00 H new ATOM 0 HG12 ILE A 23 7.379 -4.012 -2.216 1.00 0.00 H new ATOM 0 HG13 ILE A 23 6.203 -5.257 -1.845 1.00 0.00 H new ATOM 0 HG21 ILE A 23 7.554 -2.417 0.101 1.00 0.00 H new ATOM 0 HG22 ILE A 23 8.639 -3.417 1.096 1.00 0.00 H new ATOM 0 HG23 ILE A 23 8.929 -3.258 -0.652 1.00 0.00 H new ATOM 0 HD11 ILE A 23 5.080 -3.141 -2.446 1.00 0.00 H new ATOM 0 HD12 ILE A 23 4.737 -3.566 -0.752 1.00 0.00 H new ATOM 0 HD13 ILE A 23 5.931 -2.301 -1.128 1.00 0.00 H new ATOM 341 N ASP A 24 8.923 -7.051 -2.084 1.00 0.00 N ATOM 342 CA ASP A 24 9.996 -7.693 -2.836 1.00 0.00 C ATOM 343 C ASP A 24 9.504 -8.241 -4.174 1.00 0.00 C ATOM 344 O ASP A 24 8.331 -8.152 -4.526 1.00 0.00 O ATOM 345 CB ASP A 24 10.574 -8.851 -2.000 1.00 0.00 C ATOM 346 CG ASP A 24 9.525 -9.786 -1.405 1.00 0.00 C ATOM 347 OD1 ASP A 24 8.401 -9.793 -1.943 1.00 0.00 O ATOM 348 OD2 ASP A 24 9.864 -10.536 -0.461 1.00 0.00 O ATOM 0 H ASP A 24 8.004 -7.447 -2.279 1.00 0.00 H new ATOM 0 HA ASP A 24 10.760 -6.943 -3.040 1.00 0.00 H new ATOM 0 HB2 ASP A 24 11.248 -9.434 -2.627 1.00 0.00 H new ATOM 0 HB3 ASP A 24 11.173 -8.434 -1.190 1.00 0.00 H new ATOM 352 N ALA A 25 10.390 -8.856 -4.953 1.00 0.00 N ATOM 353 CA ALA A 25 10.004 -9.561 -6.162 1.00 0.00 C ATOM 354 C ALA A 25 8.972 -10.675 -5.905 1.00 0.00 C ATOM 355 O ALA A 25 8.327 -11.119 -6.858 1.00 0.00 O ATOM 356 CB ALA A 25 11.268 -10.115 -6.813 1.00 0.00 C ATOM 0 H ALA A 25 11.392 -8.877 -4.761 1.00 0.00 H new ATOM 0 HA ALA A 25 9.508 -8.859 -6.832 1.00 0.00 H new ATOM 0 HB1 ALA A 25 11.003 -10.650 -7.725 1.00 0.00 H new ATOM 0 HB2 ALA A 25 11.942 -9.294 -7.057 1.00 0.00 H new ATOM 0 HB3 ALA A 25 11.763 -10.798 -6.123 1.00 0.00 H new ATOM 362 N TYR A 26 8.786 -11.113 -4.658 1.00 0.00 N ATOM 363 CA TYR A 26 7.877 -12.172 -4.263 1.00 0.00 C ATOM 364 C TYR A 26 6.463 -11.577 -4.141 1.00 0.00 C ATOM 365 O TYR A 26 5.500 -12.217 -4.572 1.00 0.00 O ATOM 366 CB TYR A 26 8.326 -12.841 -2.939 1.00 0.00 C ATOM 367 CG TYR A 26 9.758 -13.384 -2.798 1.00 0.00 C ATOM 368 CD1 TYR A 26 10.907 -12.646 -3.172 1.00 0.00 C ATOM 369 CD2 TYR A 26 9.953 -14.638 -2.181 1.00 0.00 C ATOM 370 CE1 TYR A 26 12.196 -13.183 -3.032 1.00 0.00 C ATOM 371 CE2 TYR A 26 11.244 -15.180 -2.027 1.00 0.00 C ATOM 372 CZ TYR A 26 12.372 -14.470 -2.488 1.00 0.00 C ATOM 373 OH TYR A 26 13.616 -15.012 -2.397 1.00 0.00 O ATOM 0 H TYR A 26 9.292 -10.716 -3.866 1.00 0.00 H new ATOM 0 HA TYR A 26 7.880 -12.956 -5.020 1.00 0.00 H new ATOM 0 HB2 TYR A 26 8.175 -12.114 -2.141 1.00 0.00 H new ATOM 0 HB3 TYR A 26 7.645 -13.670 -2.748 1.00 0.00 H new ATOM 0 HD1 TYR A 26 10.789 -11.650 -3.573 1.00 0.00 H new ATOM 0 HD2 TYR A 26 9.098 -15.191 -1.821 1.00 0.00 H new ATOM 0 HE1 TYR A 26 13.056 -12.608 -3.342 1.00 0.00 H new ATOM 0 HE2 TYR A 26 11.370 -16.143 -1.554 1.00 0.00 H new ATOM 0 HH TYR A 26 13.555 -15.905 -1.997 1.00 0.00 H new ATOM 382 N ASN A 27 6.323 -10.331 -3.650 1.00 0.00 N ATOM 383 CA ASN A 27 5.030 -9.673 -3.463 1.00 0.00 C ATOM 384 C ASN A 27 4.521 -9.204 -4.797 1.00 0.00 C ATOM 385 O ASN A 27 3.352 -8.828 -4.885 1.00 0.00 O ATOM 386 CB ASN A 27 5.068 -8.418 -2.571 1.00 0.00 C ATOM 387 CG ASN A 27 5.145 -7.039 -3.250 1.00 0.00 C ATOM 388 OD1 ASN A 27 4.238 -6.237 -3.100 1.00 0.00 O ATOM 389 ND2 ASN A 27 6.158 -6.683 -4.009 1.00 0.00 N ATOM 0 H ASN A 27 7.116 -9.753 -3.371 1.00 0.00 H new ATOM 0 HA ASN A 27 4.400 -10.421 -2.981 1.00 0.00 H new ATOM 0 HB2 ASN A 27 4.177 -8.430 -1.944 1.00 0.00 H new ATOM 0 HB3 ASN A 27 5.927 -8.509 -1.906 1.00 0.00 H new ATOM 0 HD21 ASN A 27 6.167 -5.763 -4.449 1.00 0.00 H new ATOM 0 HD22 ASN A 27 6.935 -7.327 -4.158 1.00 0.00 H new ATOM 395 N SER A 28 5.407 -9.182 -5.799 1.00 0.00 N ATOM 396 CA SER A 28 5.157 -8.495 -7.036 1.00 0.00 C ATOM 397 C SER A 28 3.854 -8.933 -7.716 1.00 0.00 C ATOM 398 O SER A 28 3.353 -8.214 -8.582 1.00 0.00 O ATOM 399 CB SER A 28 6.344 -8.625 -7.989 1.00 0.00 C ATOM 400 OG SER A 28 6.512 -9.947 -8.471 1.00 0.00 O ATOM 0 H SER A 28 6.314 -9.646 -5.758 1.00 0.00 H new ATOM 0 HA SER A 28 5.031 -7.443 -6.780 1.00 0.00 H new ATOM 0 HB2 SER A 28 6.204 -7.949 -8.833 1.00 0.00 H new ATOM 0 HB3 SER A 28 7.253 -8.311 -7.477 1.00 0.00 H new ATOM 0 HG SER A 28 7.276 -10.364 -8.021 1.00 0.00 H new ATOM 405 N SER A 29 3.314 -10.099 -7.346 1.00 0.00 N ATOM 406 CA SER A 29 1.964 -10.497 -7.669 1.00 0.00 C ATOM 407 C SER A 29 1.116 -10.783 -6.434 1.00 0.00 C ATOM 408 O SER A 29 -0.097 -10.727 -6.569 1.00 0.00 O ATOM 409 CB SER A 29 1.999 -11.677 -8.630 1.00 0.00 C ATOM 410 OG SER A 29 2.826 -12.727 -8.146 1.00 0.00 O ATOM 0 H SER A 29 3.823 -10.797 -6.804 1.00 0.00 H new ATOM 0 HA SER A 29 1.473 -9.657 -8.160 1.00 0.00 H new ATOM 0 HB2 SER A 29 0.987 -12.052 -8.782 1.00 0.00 H new ATOM 0 HB3 SER A 29 2.365 -11.344 -9.601 1.00 0.00 H new ATOM 0 HG SER A 29 2.823 -13.468 -8.787 1.00 0.00 H new ATOM 415 N GLU A 30 1.705 -11.104 -5.271 1.00 0.00 N ATOM 416 CA GLU A 30 0.957 -11.433 -4.063 1.00 0.00 C ATOM 417 C GLU A 30 0.153 -10.197 -3.644 1.00 0.00 C ATOM 418 O GLU A 30 -1.062 -10.169 -3.810 1.00 0.00 O ATOM 419 CB GLU A 30 1.895 -11.922 -2.935 1.00 0.00 C ATOM 420 CG GLU A 30 1.123 -12.738 -1.883 1.00 0.00 C ATOM 421 CD GLU A 30 1.214 -14.272 -1.963 1.00 0.00 C ATOM 422 OE1 GLU A 30 2.299 -14.832 -2.197 1.00 0.00 O ATOM 423 OE2 GLU A 30 0.182 -14.948 -1.717 1.00 0.00 O ATOM 0 H GLU A 30 2.717 -11.141 -5.149 1.00 0.00 H new ATOM 0 HA GLU A 30 0.272 -12.257 -4.264 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.691 -12.533 -3.360 1.00 0.00 H new ATOM 0 HB3 GLU A 30 2.371 -11.066 -2.457 1.00 0.00 H new ATOM 0 HG2 GLU A 30 1.473 -12.432 -0.897 1.00 0.00 H new ATOM 0 HG3 GLU A 30 0.071 -12.460 -1.948 1.00 0.00 H new ATOM 428 N LEU A 31 0.821 -9.135 -3.181 1.00 0.00 N ATOM 429 CA LEU A 31 0.181 -7.914 -2.715 1.00 0.00 C ATOM 430 C LEU A 31 -0.620 -7.257 -3.829 1.00 0.00 C ATOM 431 O LEU A 31 -1.693 -6.707 -3.595 1.00 0.00 O ATOM 432 CB LEU A 31 1.267 -6.957 -2.207 1.00 0.00 C ATOM 433 CG LEU A 31 0.720 -5.688 -1.539 1.00 0.00 C ATOM 434 CD1 LEU A 31 -0.143 -6.034 -0.329 1.00 0.00 C ATOM 435 CD2 LEU A 31 1.879 -4.789 -1.097 1.00 0.00 C ATOM 0 H LEU A 31 1.839 -9.106 -3.121 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.513 -8.156 -1.910 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.899 -7.487 -1.494 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.903 -6.669 -3.044 1.00 0.00 H new ATOM 0 HG LEU A 31 0.103 -5.162 -2.267 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.517 -5.117 0.125 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.984 -6.651 -0.646 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.455 -6.582 0.400 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.483 -3.891 -0.624 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.506 -5.327 -0.386 1.00 0.00 H new ATOM 0 HD23 LEU A 31 2.474 -4.509 -1.966 1.00 0.00 H new ATOM 446 N LYS A 32 -0.101 -7.330 -5.055 1.00 0.00 N ATOM 447 CA LYS A 32 -0.789 -6.848 -6.239 1.00 0.00 C ATOM 448 C LYS A 32 -2.146 -7.550 -6.368 1.00 0.00 C ATOM 449 O LYS A 32 -3.121 -6.852 -6.627 1.00 0.00 O ATOM 450 CB LYS A 32 0.110 -7.109 -7.469 1.00 0.00 C ATOM 451 CG LYS A 32 -0.096 -5.989 -8.503 1.00 0.00 C ATOM 452 CD LYS A 32 0.777 -6.168 -9.753 1.00 0.00 C ATOM 453 CE LYS A 32 0.058 -6.828 -10.929 1.00 0.00 C ATOM 454 NZ LYS A 32 -0.635 -5.859 -11.805 1.00 0.00 N ATOM 0 H LYS A 32 0.817 -7.730 -5.249 1.00 0.00 H new ATOM 0 HA LYS A 32 -0.979 -5.777 -6.167 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.156 -7.150 -7.166 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -0.132 -8.075 -7.911 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -1.145 -5.961 -8.798 1.00 0.00 H new ATOM 0 HG3 LYS A 32 0.131 -5.028 -8.041 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.145 -5.192 -10.068 1.00 0.00 H new ATOM 0 HD3 LYS A 32 1.648 -6.768 -9.491 1.00 0.00 H new ATOM 0 HE2 LYS A 32 0.781 -7.390 -11.520 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -0.667 -7.546 -10.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -1.131 -6.369 -12.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -1.323 -5.316 -11.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 0.061 -5.209 -12.223 1.00 0.00 H new ATOM 464 N GLU A 33 -2.234 -8.879 -6.192 1.00 0.00 N ATOM 465 CA GLU A 33 -3.482 -9.646 -6.256 1.00 0.00 C ATOM 466 C GLU A 33 -4.371 -9.277 -5.085 1.00 0.00 C ATOM 467 O GLU A 33 -5.534 -8.926 -5.277 1.00 0.00 O ATOM 468 CB GLU A 33 -3.253 -11.169 -6.271 1.00 0.00 C ATOM 469 CG GLU A 33 -3.168 -11.662 -7.719 1.00 0.00 C ATOM 470 CD GLU A 33 -2.960 -13.176 -7.861 1.00 0.00 C ATOM 471 OE1 GLU A 33 -2.451 -13.857 -6.949 1.00 0.00 O ATOM 472 OE2 GLU A 33 -3.359 -13.721 -8.920 1.00 0.00 O ATOM 0 H GLU A 33 -1.419 -9.460 -5.997 1.00 0.00 H new ATOM 0 HA GLU A 33 -3.965 -9.386 -7.198 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -2.334 -11.414 -5.738 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -4.067 -11.674 -5.751 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -4.084 -11.383 -8.240 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.348 -11.146 -8.218 1.00 0.00 H new ATOM 477 N GLN A 34 -3.806 -9.313 -3.878 1.00 0.00 N ATOM 478 CA GLN A 34 -4.479 -9.083 -2.610 1.00 0.00 C ATOM 479 C GLN A 34 -5.080 -7.681 -2.521 1.00 0.00 C ATOM 480 O GLN A 34 -5.817 -7.407 -1.580 1.00 0.00 O ATOM 481 CB GLN A 34 -3.454 -9.335 -1.483 1.00 0.00 C ATOM 482 CG GLN A 34 -2.953 -10.788 -1.447 1.00 0.00 C ATOM 483 CD GLN A 34 -3.900 -11.717 -0.702 1.00 0.00 C ATOM 484 OE1 GLN A 34 -3.795 -11.917 0.508 1.00 0.00 O ATOM 485 NE2 GLN A 34 -4.847 -12.325 -1.400 1.00 0.00 N ATOM 0 H GLN A 34 -2.813 -9.515 -3.758 1.00 0.00 H new ATOM 0 HA GLN A 34 -5.321 -9.768 -2.513 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -2.604 -8.666 -1.615 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -3.908 -9.088 -0.523 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -2.824 -11.149 -2.467 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -1.972 -10.818 -0.972 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -4.930 -12.156 -2.402 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -5.494 -12.962 -0.935 1.00 0.00 H new ATOM 492 N LEU A 35 -4.791 -6.811 -3.491 1.00 0.00 N ATOM 493 CA LEU A 35 -5.347 -5.487 -3.601 1.00 0.00 C ATOM 494 C LEU A 35 -6.148 -5.323 -4.864 1.00 0.00 C ATOM 495 O LEU A 35 -7.246 -4.843 -4.714 1.00 0.00 O ATOM 496 CB LEU A 35 -4.255 -4.448 -3.586 1.00 0.00 C ATOM 497 CG LEU A 35 -3.569 -4.293 -2.225 1.00 0.00 C ATOM 498 CD1 LEU A 35 -2.366 -3.363 -2.357 1.00 0.00 C ATOM 499 CD2 LEU A 35 -4.528 -3.719 -1.173 1.00 0.00 C ATOM 0 H LEU A 35 -4.138 -7.030 -4.243 1.00 0.00 H new ATOM 0 HA LEU A 35 -6.005 -5.349 -2.743 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -3.506 -4.711 -4.333 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.676 -3.487 -3.882 1.00 0.00 H new ATOM 0 HG LEU A 35 -3.250 -5.283 -1.900 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.881 -3.255 -1.387 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -1.658 -3.783 -3.072 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -2.698 -2.386 -2.707 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -4.007 -3.623 -0.220 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.878 -2.739 -1.496 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -5.381 -4.388 -1.055 1.00 0.00 H new ATOM 510 N ARG A 36 -5.705 -5.666 -6.083 1.00 0.00 N ATOM 511 CA ARG A 36 -6.588 -5.525 -7.255 1.00 0.00 C ATOM 512 C ARG A 36 -7.902 -6.266 -7.021 1.00 0.00 C ATOM 513 O ARG A 36 -8.959 -5.781 -7.415 1.00 0.00 O ATOM 514 CB ARG A 36 -5.913 -6.011 -8.551 1.00 0.00 C ATOM 515 CG ARG A 36 -5.620 -7.518 -8.539 1.00 0.00 C ATOM 516 CD ARG A 36 -4.808 -8.021 -9.732 1.00 0.00 C ATOM 517 NE ARG A 36 -5.649 -8.254 -10.916 1.00 0.00 N ATOM 518 CZ ARG A 36 -5.222 -8.808 -12.056 1.00 0.00 C ATOM 519 NH1 ARG A 36 -3.941 -9.128 -12.209 1.00 0.00 N ATOM 520 NH2 ARG A 36 -6.057 -9.002 -13.064 1.00 0.00 N ATOM 0 H ARG A 36 -4.774 -6.031 -6.282 1.00 0.00 H new ATOM 0 HA ARG A 36 -6.797 -4.463 -7.381 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -6.555 -5.777 -9.400 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -4.981 -5.465 -8.697 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -5.083 -7.762 -7.623 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -6.566 -8.058 -8.508 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -4.034 -7.293 -9.975 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -4.301 -8.947 -9.460 1.00 0.00 H new ATOM 0 HE ARG A 36 -6.628 -7.973 -10.864 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -3.278 -8.951 -11.455 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -3.621 -9.550 -13.081 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -7.036 -8.728 -12.976 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -5.722 -9.425 -13.930 1.00 0.00 H new ATOM 531 N ASN A 37 -7.827 -7.419 -6.349 1.00 0.00 N ATOM 532 CA ASN A 37 -8.989 -8.217 -6.061 1.00 0.00 C ATOM 533 C ASN A 37 -9.794 -7.496 -4.992 1.00 0.00 C ATOM 534 O ASN A 37 -10.972 -7.198 -5.186 1.00 0.00 O ATOM 535 CB ASN A 37 -8.567 -9.622 -5.613 1.00 0.00 C ATOM 536 CG ASN A 37 -9.791 -10.522 -5.486 1.00 0.00 C ATOM 537 OD1 ASN A 37 -10.729 -10.419 -6.269 1.00 0.00 O ATOM 538 ND2 ASN A 37 -9.821 -11.415 -4.513 1.00 0.00 N ATOM 0 H ASN A 37 -6.954 -7.812 -5.997 1.00 0.00 H new ATOM 0 HA ASN A 37 -9.607 -8.343 -6.950 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -7.867 -10.047 -6.333 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -8.046 -9.566 -4.657 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -10.630 -12.027 -4.408 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -9.035 -11.492 -3.867 1.00 0.00 H new ATOM 544 N PHE A 38 -9.124 -7.135 -3.893 1.00 0.00 N ATOM 545 CA PHE A 38 -9.779 -6.562 -2.736 1.00 0.00 C ATOM 546 C PHE A 38 -10.406 -5.222 -3.072 1.00 0.00 C ATOM 547 O PHE A 38 -11.545 -5.004 -2.690 1.00 0.00 O ATOM 548 CB PHE A 38 -8.821 -6.445 -1.559 1.00 0.00 C ATOM 549 CG PHE A 38 -9.366 -5.667 -0.380 1.00 0.00 C ATOM 550 CD1 PHE A 38 -10.419 -6.188 0.395 1.00 0.00 C ATOM 551 CD2 PHE A 38 -8.837 -4.397 -0.087 1.00 0.00 C ATOM 552 CE1 PHE A 38 -10.940 -5.440 1.466 1.00 0.00 C ATOM 553 CE2 PHE A 38 -9.358 -3.653 0.980 1.00 0.00 C ATOM 554 CZ PHE A 38 -10.401 -4.176 1.765 1.00 0.00 C ATOM 0 H PHE A 38 -8.114 -7.236 -3.791 1.00 0.00 H new ATOM 0 HA PHE A 38 -10.580 -7.239 -2.439 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -8.553 -7.447 -1.224 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -7.903 -5.967 -1.900 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -10.827 -7.162 0.167 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -8.031 -3.996 -0.683 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -11.752 -5.836 2.058 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -8.957 -2.675 1.200 1.00 0.00 H new ATOM 0 HZ PHE A 38 -10.788 -3.607 2.597 1.00 0.00 H new ATOM 563 N ILE A 39 -9.725 -4.341 -3.805 1.00 0.00 N ATOM 564 CA ILE A 39 -10.312 -3.111 -4.338 1.00 0.00 C ATOM 565 C ILE A 39 -11.656 -3.326 -5.029 1.00 0.00 C ATOM 566 O ILE A 39 -12.494 -2.429 -4.926 1.00 0.00 O ATOM 567 CB ILE A 39 -9.287 -2.418 -5.255 1.00 0.00 C ATOM 568 CG1 ILE A 39 -8.507 -1.320 -4.490 1.00 0.00 C ATOM 569 CG2 ILE A 39 -9.796 -1.838 -6.583 1.00 0.00 C ATOM 570 CD1 ILE A 39 -6.993 -1.525 -4.530 1.00 0.00 C ATOM 0 H ILE A 39 -8.742 -4.462 -4.048 1.00 0.00 H new ATOM 0 HA ILE A 39 -10.541 -2.457 -3.496 1.00 0.00 H new ATOM 0 HB ILE A 39 -8.644 -3.248 -5.548 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -8.748 -0.347 -4.917 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -8.838 -1.303 -3.452 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -8.966 -1.382 -7.123 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -10.227 -2.636 -7.187 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -10.557 -1.084 -6.383 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -6.503 -0.724 -3.977 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -6.744 -2.484 -4.077 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -6.651 -1.513 -5.565 1.00 0.00 H new ATOM 581 N SER A 40 -11.885 -4.446 -5.722 1.00 0.00 N ATOM 582 CA SER A 40 -13.186 -4.675 -6.331 1.00 0.00 C ATOM 583 C SER A 40 -14.236 -4.907 -5.230 1.00 0.00 C ATOM 584 O SER A 40 -15.228 -4.181 -5.184 1.00 0.00 O ATOM 585 CB SER A 40 -13.092 -5.714 -7.464 1.00 0.00 C ATOM 586 OG SER A 40 -12.765 -7.042 -7.089 1.00 0.00 O ATOM 0 H SER A 40 -11.201 -5.188 -5.870 1.00 0.00 H new ATOM 0 HA SER A 40 -13.547 -3.792 -6.858 1.00 0.00 H new ATOM 0 HB2 SER A 40 -14.049 -5.734 -7.986 1.00 0.00 H new ATOM 0 HB3 SER A 40 -12.345 -5.370 -8.180 1.00 0.00 H new ATOM 0 HG SER A 40 -12.230 -7.028 -6.268 1.00 0.00 H new ATOM 591 N THR A 41 -13.967 -5.810 -4.278 1.00 0.00 N ATOM 592 CA THR A 41 -14.855 -6.096 -3.156 1.00 0.00 C ATOM 593 C THR A 41 -15.055 -4.883 -2.247 1.00 0.00 C ATOM 594 O THR A 41 -16.166 -4.696 -1.745 1.00 0.00 O ATOM 595 CB THR A 41 -14.302 -7.307 -2.372 1.00 0.00 C ATOM 596 OG1 THR A 41 -14.860 -8.498 -2.906 1.00 0.00 O ATOM 597 CG2 THR A 41 -14.589 -7.328 -0.860 1.00 0.00 C ATOM 0 H THR A 41 -13.113 -6.368 -4.270 1.00 0.00 H new ATOM 0 HA THR A 41 -15.842 -6.339 -3.549 1.00 0.00 H new ATOM 0 HB THR A 41 -13.221 -7.228 -2.486 1.00 0.00 H new ATOM 0 HG1 THR A 41 -14.512 -9.271 -2.414 1.00 0.00 H new ATOM 0 HG21 THR A 41 -14.152 -8.224 -0.419 1.00 0.00 H new ATOM 0 HG22 THR A 41 -14.152 -6.445 -0.394 1.00 0.00 H new ATOM 0 HG23 THR A 41 -15.666 -7.330 -0.694 1.00 0.00 H new ATOM 605 N THR A 42 -13.986 -4.148 -1.921 1.00 0.00 N ATOM 606 CA THR A 42 -13.937 -3.408 -0.667 1.00 0.00 C ATOM 607 C THR A 42 -15.074 -2.398 -0.602 1.00 0.00 C ATOM 608 O THR A 42 -15.339 -1.638 -1.537 1.00 0.00 O ATOM 609 CB THR A 42 -12.545 -2.810 -0.428 1.00 0.00 C ATOM 610 OG1 THR A 42 -12.456 -2.121 0.805 1.00 0.00 O ATOM 611 CG2 THR A 42 -12.149 -1.814 -1.504 1.00 0.00 C ATOM 0 H THR A 42 -13.155 -4.053 -2.504 1.00 0.00 H new ATOM 0 HA THR A 42 -14.097 -4.094 0.165 1.00 0.00 H new ATOM 0 HB THR A 42 -11.877 -3.671 -0.436 1.00 0.00 H new ATOM 0 HG1 THR A 42 -12.815 -2.685 1.522 1.00 0.00 H new ATOM 0 HG21 THR A 42 -11.156 -1.420 -1.288 1.00 0.00 H new ATOM 0 HG22 THR A 42 -12.139 -2.311 -2.474 1.00 0.00 H new ATOM 0 HG23 THR A 42 -12.868 -0.995 -1.524 1.00 0.00 H new ATOM 619 N SER A 43 -15.778 -2.440 0.514 1.00 0.00 N ATOM 620 CA SER A 43 -16.955 -1.656 0.801 1.00 0.00 C ATOM 621 C SER A 43 -16.596 -0.228 1.231 1.00 0.00 C ATOM 622 O SER A 43 -17.487 0.603 1.386 1.00 0.00 O ATOM 623 CB SER A 43 -17.692 -2.439 1.887 1.00 0.00 C ATOM 624 OG SER A 43 -18.357 -3.533 1.284 1.00 0.00 O ATOM 0 H SER A 43 -15.526 -3.058 1.285 1.00 0.00 H new ATOM 0 HA SER A 43 -17.585 -1.518 -0.078 1.00 0.00 H new ATOM 0 HB2 SER A 43 -16.989 -2.793 2.641 1.00 0.00 H new ATOM 0 HB3 SER A 43 -18.409 -1.795 2.397 1.00 0.00 H new ATOM 0 HG SER A 43 -18.833 -4.045 1.971 1.00 0.00 H new ATOM 629 N LYS A 44 -15.313 0.101 1.419 1.00 0.00 N ATOM 630 CA LYS A 44 -14.842 1.413 1.861 1.00 0.00 C ATOM 631 C LYS A 44 -13.943 1.998 0.784 1.00 0.00 C ATOM 632 O LYS A 44 -13.306 1.254 0.043 1.00 0.00 O ATOM 633 CB LYS A 44 -14.132 1.267 3.221 1.00 0.00 C ATOM 634 CG LYS A 44 -14.900 0.436 4.271 1.00 0.00 C ATOM 635 CD LYS A 44 -16.295 0.995 4.580 1.00 0.00 C ATOM 636 CE LYS A 44 -17.273 -0.038 5.150 1.00 0.00 C ATOM 637 NZ LYS A 44 -17.083 -0.287 6.589 1.00 0.00 N ATOM 0 H LYS A 44 -14.553 -0.561 1.262 1.00 0.00 H new ATOM 0 HA LYS A 44 -15.673 2.104 2.007 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -13.157 0.807 3.058 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -13.951 2.262 3.628 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -14.997 -0.589 3.914 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -14.318 0.399 5.192 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -16.196 1.816 5.290 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -16.717 1.413 3.666 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -18.293 0.305 4.979 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -17.157 -0.976 4.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -17.024 -1.311 6.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -16.204 0.168 6.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -17.887 0.106 7.118 1.00 0.00 H new ATOM 647 N LYS A 45 -13.895 3.327 0.661 1.00 0.00 N ATOM 648 CA LYS A 45 -13.220 3.955 -0.474 1.00 0.00 C ATOM 649 C LYS A 45 -11.775 4.318 -0.180 1.00 0.00 C ATOM 650 O LYS A 45 -10.959 4.264 -1.098 1.00 0.00 O ATOM 651 CB LYS A 45 -14.024 5.164 -0.961 1.00 0.00 C ATOM 652 CG LYS A 45 -15.297 4.702 -1.700 1.00 0.00 C ATOM 653 CD LYS A 45 -15.225 4.907 -3.218 1.00 0.00 C ATOM 654 CE LYS A 45 -15.106 6.385 -3.618 1.00 0.00 C ATOM 655 NZ LYS A 45 -16.351 7.145 -3.409 1.00 0.00 N ATOM 0 H LYS A 45 -14.310 3.981 1.325 1.00 0.00 H new ATOM 0 HA LYS A 45 -13.177 3.218 -1.276 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -14.296 5.793 -0.113 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -13.411 5.773 -1.626 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -15.467 3.646 -1.491 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -16.155 5.247 -1.307 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -14.369 4.359 -3.613 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -16.116 4.482 -3.679 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -14.305 6.847 -3.042 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -14.821 6.449 -4.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -16.207 8.134 -3.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -17.113 6.726 -3.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -16.613 7.112 -2.403 1.00 0.00 H new ATOM 665 N LYS A 46 -11.443 4.712 1.055 1.00 0.00 N ATOM 666 CA LYS A 46 -10.070 5.089 1.399 1.00 0.00 C ATOM 667 C LYS A 46 -9.218 3.855 1.601 1.00 0.00 C ATOM 668 O LYS A 46 -9.223 3.349 2.712 1.00 0.00 O ATOM 669 CB LYS A 46 -10.015 6.069 2.595 1.00 0.00 C ATOM 670 CG LYS A 46 -9.783 7.515 2.156 1.00 0.00 C ATOM 671 CD LYS A 46 -9.986 8.568 3.260 1.00 0.00 C ATOM 672 CE LYS A 46 -11.423 9.114 3.350 1.00 0.00 C ATOM 673 NZ LYS A 46 -12.351 8.232 4.080 1.00 0.00 N ATOM 0 H LYS A 46 -12.104 4.777 1.829 1.00 0.00 H new ATOM 0 HA LYS A 46 -9.646 5.639 0.559 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -10.949 6.008 3.154 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -9.217 5.766 3.273 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -8.767 7.604 1.772 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -10.457 7.741 1.330 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -9.714 8.129 4.220 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -9.303 9.399 3.085 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -11.402 10.088 3.839 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -11.805 9.273 2.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -13.311 8.630 4.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -12.350 7.289 3.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -12.048 8.154 5.072 1.00 0.00 H new ATOM 683 N ILE A 47 -8.529 3.332 0.586 1.00 0.00 N ATOM 684 CA ILE A 47 -7.715 2.141 0.791 1.00 0.00 C ATOM 685 C ILE A 47 -6.396 2.659 1.360 1.00 0.00 C ATOM 686 O ILE A 47 -5.572 3.231 0.649 1.00 0.00 O ATOM 687 CB ILE A 47 -7.618 1.280 -0.490 1.00 0.00 C ATOM 688 CG1 ILE A 47 -8.968 1.162 -1.243 1.00 0.00 C ATOM 689 CG2 ILE A 47 -7.132 -0.140 -0.154 1.00 0.00 C ATOM 690 CD1 ILE A 47 -10.167 0.713 -0.403 1.00 0.00 C ATOM 0 H ILE A 47 -8.519 3.706 -0.363 1.00 0.00 H new ATOM 0 HA ILE A 47 -8.150 1.432 1.496 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.905 1.791 -1.138 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -9.201 2.131 -1.685 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -8.842 0.459 -2.066 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -7.071 -0.730 -1.069 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -6.147 -0.087 0.310 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -7.833 -0.611 0.535 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -11.055 0.666 -1.033 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -9.968 -0.273 0.018 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -10.332 1.426 0.405 1.00 0.00 H new ATOM 701 N VAL A 48 -6.254 2.584 2.678 1.00 0.00 N ATOM 702 CA VAL A 48 -5.090 3.050 3.410 1.00 0.00 C ATOM 703 C VAL A 48 -4.187 1.850 3.613 1.00 0.00 C ATOM 704 O VAL A 48 -4.668 0.791 3.994 1.00 0.00 O ATOM 705 CB VAL A 48 -5.549 3.648 4.750 1.00 0.00 C ATOM 706 CG1 VAL A 48 -4.367 4.157 5.570 1.00 0.00 C ATOM 707 CG2 VAL A 48 -6.542 4.789 4.515 1.00 0.00 C ATOM 0 H VAL A 48 -6.971 2.184 3.283 1.00 0.00 H new ATOM 0 HA VAL A 48 -4.548 3.828 2.872 1.00 0.00 H new ATOM 0 HB VAL A 48 -6.038 2.853 5.312 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -4.729 4.573 6.510 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -3.685 3.332 5.776 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -3.842 4.930 5.010 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -6.857 5.201 5.474 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -6.065 5.570 3.923 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -7.413 4.409 3.980 1.00 0.00 H new ATOM 717 N LEU A 49 -2.897 2.000 3.335 1.00 0.00 N ATOM 718 CA LEU A 49 -1.947 0.909 3.266 1.00 0.00 C ATOM 719 C LEU A 49 -0.825 1.164 4.234 1.00 0.00 C ATOM 720 O LEU A 49 -0.119 2.127 4.043 1.00 0.00 O ATOM 721 CB LEU A 49 -1.436 0.746 1.826 1.00 0.00 C ATOM 722 CG LEU A 49 -2.311 0.008 0.798 1.00 0.00 C ATOM 723 CD1 LEU A 49 -2.672 -1.425 1.213 1.00 0.00 C ATOM 724 CD2 LEU A 49 -3.570 0.790 0.433 1.00 0.00 C ATOM 0 H LEU A 49 -2.477 2.910 3.147 1.00 0.00 H new ATOM 0 HA LEU A 49 -2.431 -0.026 3.547 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.239 1.743 1.433 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -0.479 0.227 1.874 1.00 0.00 H new ATOM 0 HG LEU A 49 -1.686 -0.066 -0.092 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.290 -1.883 0.440 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -1.760 -2.008 1.341 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.223 -1.404 2.153 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.151 0.224 -0.295 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.170 0.952 1.329 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -3.289 1.752 0.005 1.00 0.00 H new ATOM 735 N ASP A 50 -0.707 0.405 5.314 1.00 0.00 N ATOM 736 CA ASP A 50 0.203 0.635 6.453 1.00 0.00 C ATOM 737 C ASP A 50 1.443 -0.235 6.352 1.00 0.00 C ATOM 738 O ASP A 50 1.299 -1.447 6.193 1.00 0.00 O ATOM 739 CB ASP A 50 -0.533 0.235 7.723 1.00 0.00 C ATOM 740 CG ASP A 50 0.203 0.489 9.038 1.00 0.00 C ATOM 741 OD1 ASP A 50 1.327 -0.023 9.205 1.00 0.00 O ATOM 742 OD2 ASP A 50 -0.452 1.042 9.956 1.00 0.00 O ATOM 0 H ASP A 50 -1.270 -0.437 5.437 1.00 0.00 H new ATOM 0 HA ASP A 50 0.503 1.683 6.457 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -1.482 0.771 7.752 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -0.769 -0.827 7.662 1.00 0.00 H new ATOM 746 N LEU A 51 2.639 0.353 6.427 1.00 0.00 N ATOM 747 CA LEU A 51 3.888 -0.318 6.138 1.00 0.00 C ATOM 748 C LEU A 51 4.729 -0.577 7.385 1.00 0.00 C ATOM 749 O LEU A 51 5.916 -0.893 7.273 1.00 0.00 O ATOM 750 CB LEU A 51 4.641 0.404 4.997 1.00 0.00 C ATOM 751 CG LEU A 51 3.896 0.570 3.647 1.00 0.00 C ATOM 752 CD1 LEU A 51 3.166 -0.695 3.164 1.00 0.00 C ATOM 753 CD2 LEU A 51 2.911 1.720 3.630 1.00 0.00 C ATOM 0 H LEU A 51 2.758 1.329 6.697 1.00 0.00 H new ATOM 0 HA LEU A 51 3.658 -1.318 5.772 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.921 1.396 5.352 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.567 -0.139 4.807 1.00 0.00 H new ATOM 0 HG LEU A 51 4.712 0.785 2.957 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.673 -0.490 2.214 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.886 -1.503 3.032 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.421 -0.990 3.903 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.430 1.772 2.653 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.155 1.563 4.399 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.438 2.654 3.825 1.00 0.00 H new ATOM 764 N SER A 52 4.125 -0.542 8.575 1.00 0.00 N ATOM 765 CA SER A 52 4.862 -0.688 9.820 1.00 0.00 C ATOM 766 C SER A 52 5.535 -2.058 9.934 1.00 0.00 C ATOM 767 O SER A 52 6.549 -2.191 10.620 1.00 0.00 O ATOM 768 CB SER A 52 3.953 -0.415 11.021 1.00 0.00 C ATOM 769 OG SER A 52 3.197 -1.538 11.418 1.00 0.00 O ATOM 0 H SER A 52 3.121 -0.413 8.697 1.00 0.00 H new ATOM 0 HA SER A 52 5.659 0.055 9.817 1.00 0.00 H new ATOM 0 HB2 SER A 52 4.563 -0.082 11.861 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.275 0.402 10.776 1.00 0.00 H new ATOM 0 HG SER A 52 2.639 -1.301 12.188 1.00 0.00 H new ATOM 774 N SER A 53 5.028 -3.093 9.255 1.00 0.00 N ATOM 775 CA SER A 53 5.641 -4.410 9.189 1.00 0.00 C ATOM 776 C SER A 53 6.793 -4.401 8.182 1.00 0.00 C ATOM 777 O SER A 53 7.878 -4.908 8.455 1.00 0.00 O ATOM 778 CB SER A 53 4.530 -5.401 8.824 1.00 0.00 C ATOM 779 OG SER A 53 3.829 -5.768 10.011 1.00 0.00 O ATOM 0 H SER A 53 4.158 -3.029 8.726 1.00 0.00 H new ATOM 0 HA SER A 53 6.081 -4.707 10.141 1.00 0.00 H new ATOM 0 HB2 SER A 53 3.845 -4.951 8.106 1.00 0.00 H new ATOM 0 HB3 SER A 53 4.955 -6.285 8.349 1.00 0.00 H new ATOM 0 HG SER A 53 3.221 -6.511 9.815 1.00 0.00 H new ATOM 784 N VAL A 54 6.605 -3.741 7.046 1.00 0.00 N ATOM 785 CA VAL A 54 7.451 -3.840 5.873 1.00 0.00 C ATOM 786 C VAL A 54 8.780 -3.118 6.114 1.00 0.00 C ATOM 787 O VAL A 54 8.797 -1.898 6.283 1.00 0.00 O ATOM 788 CB VAL A 54 6.700 -3.214 4.693 1.00 0.00 C ATOM 789 CG1 VAL A 54 7.415 -3.658 3.423 1.00 0.00 C ATOM 790 CG2 VAL A 54 5.222 -3.633 4.599 1.00 0.00 C ATOM 0 H VAL A 54 5.825 -3.096 6.916 1.00 0.00 H new ATOM 0 HA VAL A 54 7.678 -4.884 5.657 1.00 0.00 H new ATOM 0 HB VAL A 54 6.701 -2.133 4.832 1.00 0.00 H new ATOM 0 HG11 VAL A 54 6.911 -3.233 2.555 1.00 0.00 H new ATOM 0 HG12 VAL A 54 8.449 -3.313 3.448 1.00 0.00 H new ATOM 0 HG13 VAL A 54 7.397 -4.746 3.357 1.00 0.00 H new ATOM 0 HG21 VAL A 54 4.760 -3.148 3.739 1.00 0.00 H new ATOM 0 HG22 VAL A 54 5.157 -4.715 4.484 1.00 0.00 H new ATOM 0 HG23 VAL A 54 4.700 -3.333 5.508 1.00 0.00 H new ATOM 800 N SER A 55 9.890 -3.842 6.181 1.00 0.00 N ATOM 801 CA SER A 55 11.170 -3.340 6.660 1.00 0.00 C ATOM 802 C SER A 55 12.222 -3.146 5.575 1.00 0.00 C ATOM 803 O SER A 55 13.088 -2.278 5.718 1.00 0.00 O ATOM 804 CB SER A 55 11.664 -4.321 7.702 1.00 0.00 C ATOM 805 OG SER A 55 10.939 -4.137 8.905 1.00 0.00 O ATOM 0 H SER A 55 9.925 -4.821 5.896 1.00 0.00 H new ATOM 0 HA SER A 55 11.011 -2.341 7.067 1.00 0.00 H new ATOM 0 HB2 SER A 55 11.540 -5.343 7.343 1.00 0.00 H new ATOM 0 HB3 SER A 55 12.729 -4.173 7.880 1.00 0.00 H new ATOM 0 HG SER A 55 11.285 -3.352 9.378 1.00 0.00 H new ATOM 810 N TYR A 56 12.132 -3.903 4.493 1.00 0.00 N ATOM 811 CA TYR A 56 12.860 -3.713 3.258 1.00 0.00 C ATOM 812 C TYR A 56 11.863 -3.276 2.196 1.00 0.00 C ATOM 813 O TYR A 56 10.654 -3.256 2.442 1.00 0.00 O ATOM 814 CB TYR A 56 13.563 -5.045 2.935 1.00 0.00 C ATOM 815 CG TYR A 56 14.186 -5.157 1.555 1.00 0.00 C ATOM 816 CD1 TYR A 56 15.288 -4.357 1.210 1.00 0.00 C ATOM 817 CD2 TYR A 56 13.620 -6.017 0.591 1.00 0.00 C ATOM 818 CE1 TYR A 56 15.811 -4.407 -0.093 1.00 0.00 C ATOM 819 CE2 TYR A 56 14.160 -6.093 -0.707 1.00 0.00 C ATOM 820 CZ TYR A 56 15.261 -5.278 -1.058 1.00 0.00 C ATOM 821 OH TYR A 56 15.819 -5.305 -2.304 1.00 0.00 O ATOM 0 H TYR A 56 11.512 -4.712 4.456 1.00 0.00 H new ATOM 0 HA TYR A 56 13.626 -2.940 3.317 1.00 0.00 H new ATOM 0 HB2 TYR A 56 14.344 -5.209 3.678 1.00 0.00 H new ATOM 0 HB3 TYR A 56 12.839 -5.851 3.050 1.00 0.00 H new ATOM 0 HD1 TYR A 56 15.733 -3.704 1.946 1.00 0.00 H new ATOM 0 HD2 TYR A 56 12.765 -6.623 0.851 1.00 0.00 H new ATOM 0 HE1 TYR A 56 16.643 -3.772 -0.359 1.00 0.00 H new ATOM 0 HE2 TYR A 56 13.735 -6.771 -1.432 1.00 0.00 H new ATOM 0 HH TYR A 56 15.125 -5.495 -2.969 1.00 0.00 H new ATOM 830 N MET A 57 12.369 -2.879 1.032 1.00 0.00 N ATOM 831 CA MET A 57 11.581 -2.611 -0.149 1.00 0.00 C ATOM 832 C MET A 57 12.484 -2.656 -1.370 1.00 0.00 C ATOM 833 O MET A 57 13.432 -1.866 -1.477 1.00 0.00 O ATOM 834 CB MET A 57 10.878 -1.259 -0.026 1.00 0.00 C ATOM 835 CG MET A 57 10.101 -0.850 -1.284 1.00 0.00 C ATOM 836 SD MET A 57 9.388 0.805 -1.249 1.00 0.00 S ATOM 837 CE MET A 57 8.217 0.480 -2.581 1.00 0.00 C ATOM 0 H MET A 57 13.368 -2.733 0.889 1.00 0.00 H new ATOM 0 HA MET A 57 10.808 -3.372 -0.256 1.00 0.00 H new ATOM 0 HB2 MET A 57 10.191 -1.293 0.820 1.00 0.00 H new ATOM 0 HB3 MET A 57 11.620 -0.493 0.197 1.00 0.00 H new ATOM 0 HG2 MET A 57 10.769 -0.921 -2.142 1.00 0.00 H new ATOM 0 HG3 MET A 57 9.298 -1.570 -1.445 1.00 0.00 H new ATOM 0 HE1 MET A 57 7.884 1.425 -3.011 1.00 0.00 H new ATOM 0 HE2 MET A 57 8.700 -0.120 -3.352 1.00 0.00 H new ATOM 0 HE3 MET A 57 7.358 -0.062 -2.186 1.00 0.00 H new ATOM 845 N ASP A 58 12.172 -3.560 -2.287 1.00 0.00 N ATOM 846 CA ASP A 58 12.783 -3.636 -3.603 1.00 0.00 C ATOM 847 C ASP A 58 12.075 -2.687 -4.578 1.00 0.00 C ATOM 848 O ASP A 58 10.946 -2.249 -4.341 1.00 0.00 O ATOM 849 CB ASP A 58 12.659 -5.085 -4.100 1.00 0.00 C ATOM 850 CG ASP A 58 13.548 -5.348 -5.307 1.00 0.00 C ATOM 851 OD1 ASP A 58 14.728 -5.701 -5.101 1.00 0.00 O ATOM 852 OD2 ASP A 58 13.084 -5.141 -6.452 1.00 0.00 O ATOM 0 H ASP A 58 11.467 -4.280 -2.130 1.00 0.00 H new ATOM 0 HA ASP A 58 13.831 -3.340 -3.545 1.00 0.00 H new ATOM 0 HB2 ASP A 58 12.928 -5.769 -3.295 1.00 0.00 H new ATOM 0 HB3 ASP A 58 11.621 -5.292 -4.361 1.00 0.00 H new ATOM 856 N SER A 59 12.688 -2.452 -5.737 1.00 0.00 N ATOM 857 CA SER A 59 12.080 -1.911 -6.955 1.00 0.00 C ATOM 858 C SER A 59 10.723 -2.550 -7.275 1.00 0.00 C ATOM 859 O SER A 59 9.790 -1.860 -7.693 1.00 0.00 O ATOM 860 CB SER A 59 13.044 -2.086 -8.143 1.00 0.00 C ATOM 861 OG SER A 59 14.009 -3.115 -7.942 1.00 0.00 O ATOM 0 H SER A 59 13.682 -2.645 -5.860 1.00 0.00 H new ATOM 0 HA SER A 59 11.896 -0.851 -6.780 1.00 0.00 H new ATOM 0 HB2 SER A 59 12.467 -2.310 -9.040 1.00 0.00 H new ATOM 0 HB3 SER A 59 13.561 -1.144 -8.324 1.00 0.00 H new ATOM 0 HG SER A 59 13.568 -3.910 -7.576 1.00 0.00 H new ATOM 866 N ALA A 60 10.592 -3.857 -7.042 1.00 0.00 N ATOM 867 CA ALA A 60 9.385 -4.601 -7.341 1.00 0.00 C ATOM 868 C ALA A 60 8.238 -4.155 -6.440 1.00 0.00 C ATOM 869 O ALA A 60 7.081 -4.377 -6.783 1.00 0.00 O ATOM 870 CB ALA A 60 9.662 -6.092 -7.163 1.00 0.00 C ATOM 0 H ALA A 60 11.334 -4.427 -6.636 1.00 0.00 H new ATOM 0 HA ALA A 60 9.089 -4.408 -8.372 1.00 0.00 H new ATOM 0 HB1 ALA A 60 8.758 -6.659 -7.386 1.00 0.00 H new ATOM 0 HB2 ALA A 60 10.459 -6.398 -7.841 1.00 0.00 H new ATOM 0 HB3 ALA A 60 9.967 -6.285 -6.134 1.00 0.00 H new ATOM 876 N GLY A 61 8.536 -3.507 -5.313 1.00 0.00 N ATOM 877 CA GLY A 61 7.557 -2.892 -4.452 1.00 0.00 C ATOM 878 C GLY A 61 6.867 -1.742 -5.152 1.00 0.00 C ATOM 879 O GLY A 61 5.652 -1.755 -5.307 1.00 0.00 O ATOM 0 H GLY A 61 9.493 -3.399 -4.976 1.00 0.00 H new ATOM 0 HA2 GLY A 61 6.818 -3.633 -4.148 1.00 0.00 H new ATOM 0 HA3 GLY A 61 8.041 -2.532 -3.544 1.00 0.00 H new ATOM 883 N LEU A 62 7.621 -0.736 -5.586 1.00 0.00 N ATOM 884 CA LEU A 62 7.030 0.492 -6.116 1.00 0.00 C ATOM 885 C LEU A 62 6.262 0.191 -7.386 1.00 0.00 C ATOM 886 O LEU A 62 5.134 0.661 -7.492 1.00 0.00 O ATOM 887 CB LEU A 62 7.979 1.691 -6.300 1.00 0.00 C ATOM 888 CG LEU A 62 9.379 1.419 -6.871 1.00 0.00 C ATOM 889 CD1 LEU A 62 9.938 2.664 -7.562 1.00 0.00 C ATOM 890 CD2 LEU A 62 10.319 1.029 -5.729 1.00 0.00 C ATOM 0 H LEU A 62 8.641 -0.745 -5.582 1.00 0.00 H new ATOM 0 HA LEU A 62 6.355 0.834 -5.332 1.00 0.00 H new ATOM 0 HB2 LEU A 62 7.486 2.411 -6.953 1.00 0.00 H new ATOM 0 HB3 LEU A 62 8.101 2.173 -5.330 1.00 0.00 H new ATOM 0 HG LEU A 62 9.304 0.613 -7.601 1.00 0.00 H new ATOM 0 HD11 LEU A 62 10.930 2.446 -7.958 1.00 0.00 H new ATOM 0 HD12 LEU A 62 9.277 2.954 -8.379 1.00 0.00 H new ATOM 0 HD13 LEU A 62 10.006 3.480 -6.842 1.00 0.00 H new ATOM 0 HD21 LEU A 62 11.315 0.835 -6.128 1.00 0.00 H new ATOM 0 HD22 LEU A 62 10.370 1.843 -5.006 1.00 0.00 H new ATOM 0 HD23 LEU A 62 9.943 0.131 -5.239 1.00 0.00 H new ATOM 901 N GLY A 63 6.786 -0.656 -8.274 1.00 0.00 N ATOM 902 CA GLY A 63 6.063 -1.137 -9.445 1.00 0.00 C ATOM 903 C GLY A 63 4.748 -1.848 -9.096 1.00 0.00 C ATOM 904 O GLY A 63 3.832 -1.873 -9.922 1.00 0.00 O ATOM 0 H GLY A 63 7.732 -1.028 -8.197 1.00 0.00 H new ATOM 0 HA2 GLY A 63 5.849 -0.295 -10.103 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.702 -1.822 -10.002 1.00 0.00 H new ATOM 908 N THR A 64 4.610 -2.367 -7.878 1.00 0.00 N ATOM 909 CA THR A 64 3.480 -3.140 -7.386 1.00 0.00 C ATOM 910 C THR A 64 2.563 -2.257 -6.543 1.00 0.00 C ATOM 911 O THR A 64 1.422 -2.641 -6.299 1.00 0.00 O ATOM 912 CB THR A 64 4.029 -4.355 -6.615 1.00 0.00 C ATOM 913 OG1 THR A 64 4.659 -5.181 -7.576 1.00 0.00 O ATOM 914 CG2 THR A 64 2.974 -5.181 -5.866 1.00 0.00 C ATOM 0 H THR A 64 5.331 -2.250 -7.167 1.00 0.00 H new ATOM 0 HA THR A 64 2.867 -3.509 -8.208 1.00 0.00 H new ATOM 0 HB THR A 64 4.699 -3.982 -5.840 1.00 0.00 H new ATOM 0 HG1 THR A 64 5.631 -5.078 -7.509 1.00 0.00 H new ATOM 0 HG21 THR A 64 3.459 -6.013 -5.355 1.00 0.00 H new ATOM 0 HG22 THR A 64 2.470 -4.550 -5.134 1.00 0.00 H new ATOM 0 HG23 THR A 64 2.243 -5.568 -6.576 1.00 0.00 H new ATOM 922 N LEU A 65 2.996 -1.056 -6.152 1.00 0.00 N ATOM 923 CA LEU A 65 2.166 -0.072 -5.476 1.00 0.00 C ATOM 924 C LEU A 65 1.616 0.941 -6.493 1.00 0.00 C ATOM 925 O LEU A 65 0.450 1.315 -6.431 1.00 0.00 O ATOM 926 CB LEU A 65 3.036 0.671 -4.450 1.00 0.00 C ATOM 927 CG LEU A 65 3.648 -0.133 -3.283 1.00 0.00 C ATOM 928 CD1 LEU A 65 4.743 0.694 -2.607 1.00 0.00 C ATOM 929 CD2 LEU A 65 2.652 -0.519 -2.199 1.00 0.00 C ATOM 0 H LEU A 65 3.954 -0.740 -6.302 1.00 0.00 H new ATOM 0 HA LEU A 65 1.331 -0.571 -4.984 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.855 1.145 -4.991 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.432 1.471 -4.021 1.00 0.00 H new ATOM 0 HG LEU A 65 4.028 -1.049 -3.735 1.00 0.00 H new ATOM 0 HD11 LEU A 65 5.173 0.124 -1.784 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.522 0.928 -3.332 1.00 0.00 H new ATOM 0 HD13 LEU A 65 4.315 1.620 -2.223 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.164 -1.081 -1.418 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.214 0.382 -1.770 1.00 0.00 H new ATOM 0 HD23 LEU A 65 1.864 -1.135 -2.632 1.00 0.00 H new ATOM 940 N VAL A 66 2.423 1.412 -7.450 1.00 0.00 N ATOM 941 CA VAL A 66 2.051 2.467 -8.405 1.00 0.00 C ATOM 942 C VAL A 66 0.946 1.998 -9.360 1.00 0.00 C ATOM 943 O VAL A 66 0.147 2.784 -9.874 1.00 0.00 O ATOM 944 CB VAL A 66 3.331 2.942 -9.126 1.00 0.00 C ATOM 945 CG1 VAL A 66 3.914 1.884 -10.056 1.00 0.00 C ATOM 946 CG2 VAL A 66 3.122 4.226 -9.932 1.00 0.00 C ATOM 0 H VAL A 66 3.372 1.065 -7.587 1.00 0.00 H new ATOM 0 HA VAL A 66 1.620 3.320 -7.880 1.00 0.00 H new ATOM 0 HB VAL A 66 4.035 3.138 -8.317 1.00 0.00 H new ATOM 0 HG11 VAL A 66 4.812 2.275 -10.534 1.00 0.00 H new ATOM 0 HG12 VAL A 66 4.168 0.994 -9.481 1.00 0.00 H new ATOM 0 HG13 VAL A 66 3.180 1.626 -10.819 1.00 0.00 H new ATOM 0 HG21 VAL A 66 4.057 4.509 -10.415 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.358 4.059 -10.691 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.802 5.026 -9.265 1.00 0.00 H new ATOM 956 N VAL A 67 0.885 0.692 -9.590 1.00 0.00 N ATOM 957 CA VAL A 67 -0.181 0.025 -10.317 1.00 0.00 C ATOM 958 C VAL A 67 -1.522 0.145 -9.576 1.00 0.00 C ATOM 959 O VAL A 67 -2.559 0.304 -10.220 1.00 0.00 O ATOM 960 CB VAL A 67 0.278 -1.415 -10.582 1.00 0.00 C ATOM 961 CG1 VAL A 67 0.324 -2.238 -9.305 1.00 0.00 C ATOM 962 CG2 VAL A 67 -0.603 -2.107 -11.614 1.00 0.00 C ATOM 0 H VAL A 67 1.604 0.047 -9.262 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.372 0.501 -11.279 1.00 0.00 H new ATOM 0 HB VAL A 67 1.290 -1.347 -10.982 1.00 0.00 H new ATOM 0 HG11 VAL A 67 0.654 -3.251 -9.537 1.00 0.00 H new ATOM 0 HG12 VAL A 67 1.021 -1.781 -8.603 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -0.670 -2.273 -8.859 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -0.246 -3.124 -11.774 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -1.631 -2.136 -11.254 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.563 -1.556 -12.554 1.00 0.00 H new ATOM 972 N ILE A 68 -1.502 0.107 -8.239 1.00 0.00 N ATOM 973 CA ILE A 68 -2.694 0.063 -7.404 1.00 0.00 C ATOM 974 C ILE A 68 -3.437 1.395 -7.471 1.00 0.00 C ATOM 975 O ILE A 68 -4.659 1.373 -7.369 1.00 0.00 O ATOM 976 CB ILE A 68 -2.333 -0.357 -5.959 1.00 0.00 C ATOM 977 CG1 ILE A 68 -1.656 -1.747 -5.897 1.00 0.00 C ATOM 978 CG2 ILE A 68 -3.547 -0.335 -5.014 1.00 0.00 C ATOM 979 CD1 ILE A 68 -2.500 -2.941 -6.320 1.00 0.00 C ATOM 0 H ILE A 68 -0.635 0.106 -7.702 1.00 0.00 H new ATOM 0 HA ILE A 68 -3.375 -0.698 -7.785 1.00 0.00 H new ATOM 0 HB ILE A 68 -1.618 0.392 -5.617 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -0.766 -1.720 -6.526 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -1.318 -1.915 -4.874 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -3.236 -0.638 -4.014 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -3.960 0.673 -4.975 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -4.307 -1.024 -5.382 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -1.910 -3.853 -6.231 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -3.378 -3.012 -5.678 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -2.817 -2.814 -7.355 1.00 0.00 H new ATOM 990 N LEU A 69 -2.766 2.529 -7.736 1.00 0.00 N ATOM 991 CA LEU A 69 -3.461 3.790 -8.015 1.00 0.00 C ATOM 992 C LEU A 69 -4.474 3.550 -9.129 1.00 0.00 C ATOM 993 O LEU A 69 -5.639 3.908 -8.994 1.00 0.00 O ATOM 994 CB LEU A 69 -2.484 4.902 -8.448 1.00 0.00 C ATOM 995 CG LEU A 69 -2.943 6.363 -8.233 1.00 0.00 C ATOM 996 CD1 LEU A 69 -4.316 6.695 -8.828 1.00 0.00 C ATOM 997 CD2 LEU A 69 -2.933 6.744 -6.750 1.00 0.00 C ATOM 0 H LEU A 69 -1.748 2.595 -7.762 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.954 4.120 -7.101 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.547 4.759 -7.909 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.266 4.768 -9.508 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.210 6.956 -8.779 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -4.556 7.740 -8.629 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.297 6.526 -9.905 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -5.073 6.056 -8.374 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.261 7.777 -6.638 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -3.608 6.087 -6.201 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.923 6.639 -6.354 1.00 0.00 H new ATOM 1008 N LYS A 70 -4.028 2.928 -10.228 1.00 0.00 N ATOM 1009 CA LYS A 70 -4.866 2.722 -11.398 1.00 0.00 C ATOM 1010 C LYS A 70 -5.980 1.781 -10.998 1.00 0.00 C ATOM 1011 O LYS A 70 -7.114 2.202 -10.991 1.00 0.00 O ATOM 1012 CB LYS A 70 -4.093 2.266 -12.646 1.00 0.00 C ATOM 1013 CG LYS A 70 -2.728 2.960 -12.740 1.00 0.00 C ATOM 1014 CD LYS A 70 -2.188 3.116 -14.165 1.00 0.00 C ATOM 1015 CE LYS A 70 -1.775 1.798 -14.824 1.00 0.00 C ATOM 1016 NZ LYS A 70 -1.021 2.052 -16.070 1.00 0.00 N ATOM 0 H LYS A 70 -3.082 2.559 -10.323 1.00 0.00 H new ATOM 0 HA LYS A 70 -5.287 3.677 -11.714 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -3.953 1.186 -12.615 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -4.678 2.486 -13.539 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -2.805 3.947 -12.285 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -2.006 2.393 -12.152 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -2.950 3.595 -14.780 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -1.328 3.785 -14.145 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -1.163 1.217 -14.134 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -2.661 1.202 -15.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -0.750 1.146 -16.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -1.617 2.587 -16.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -0.165 2.602 -15.852 1.00 0.00 H new ATOM 1026 N ASP A 71 -5.693 0.537 -10.634 1.00 0.00 N ATOM 1027 CA ASP A 71 -6.673 -0.457 -10.178 1.00 0.00 C ATOM 1028 C ASP A 71 -7.706 0.102 -9.193 1.00 0.00 C ATOM 1029 O ASP A 71 -8.888 -0.215 -9.332 1.00 0.00 O ATOM 1030 CB ASP A 71 -5.970 -1.687 -9.585 1.00 0.00 C ATOM 1031 CG ASP A 71 -5.962 -2.861 -10.572 1.00 0.00 C ATOM 1032 OD1 ASP A 71 -7.057 -3.287 -11.006 1.00 0.00 O ATOM 1033 OD2 ASP A 71 -4.863 -3.358 -10.919 1.00 0.00 O ATOM 0 H ASP A 71 -4.740 0.174 -10.647 1.00 0.00 H new ATOM 0 HA ASP A 71 -7.231 -0.755 -11.066 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -4.945 -1.428 -9.318 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -6.473 -1.987 -8.666 1.00 0.00 H new ATOM 1037 N ALA A 72 -7.298 0.939 -8.235 1.00 0.00 N ATOM 1038 CA ALA A 72 -8.196 1.653 -7.348 1.00 0.00 C ATOM 1039 C ALA A 72 -9.064 2.605 -8.169 1.00 0.00 C ATOM 1040 O ALA A 72 -10.279 2.440 -8.188 1.00 0.00 O ATOM 1041 CB ALA A 72 -7.403 2.382 -6.253 1.00 0.00 C ATOM 0 H ALA A 72 -6.313 1.137 -8.058 1.00 0.00 H new ATOM 0 HA ALA A 72 -8.856 0.949 -6.841 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -8.093 2.913 -5.596 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -6.834 1.656 -5.672 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -6.719 3.095 -6.713 1.00 0.00 H new ATOM 1047 N LYS A 73 -8.464 3.564 -8.874 1.00 0.00 N ATOM 1048 CA LYS A 73 -9.129 4.561 -9.721 1.00 0.00 C ATOM 1049 C LYS A 73 -10.098 3.918 -10.714 1.00 0.00 C ATOM 1050 O LYS A 73 -11.199 4.430 -10.909 1.00 0.00 O ATOM 1051 CB LYS A 73 -8.030 5.389 -10.417 1.00 0.00 C ATOM 1052 CG LYS A 73 -8.534 6.532 -11.303 1.00 0.00 C ATOM 1053 CD LYS A 73 -8.806 6.137 -12.765 1.00 0.00 C ATOM 1054 CE LYS A 73 -9.643 7.214 -13.469 1.00 0.00 C ATOM 1055 NZ LYS A 73 -8.961 8.521 -13.530 1.00 0.00 N ATOM 0 H LYS A 73 -7.450 3.674 -8.871 1.00 0.00 H new ATOM 0 HA LYS A 73 -9.749 5.217 -9.111 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -7.373 5.806 -9.653 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -7.424 4.719 -11.027 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -9.452 6.931 -10.871 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -7.799 7.337 -11.289 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -7.862 6.000 -13.292 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -9.330 5.182 -12.798 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -9.875 6.883 -14.481 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -10.592 7.329 -12.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -9.565 9.205 -14.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -8.778 8.862 -12.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -8.059 8.419 -14.038 1.00 0.00 H new ATOM 1065 N ILE A 74 -9.708 2.798 -11.319 1.00 0.00 N ATOM 1066 CA ILE A 74 -10.451 1.959 -12.246 1.00 0.00 C ATOM 1067 C ILE A 74 -11.780 1.565 -11.586 1.00 0.00 C ATOM 1068 O ILE A 74 -12.818 1.624 -12.242 1.00 0.00 O ATOM 1069 CB ILE A 74 -9.559 0.746 -12.656 1.00 0.00 C ATOM 1070 CG1 ILE A 74 -8.389 1.170 -13.587 1.00 0.00 C ATOM 1071 CG2 ILE A 74 -10.369 -0.366 -13.340 1.00 0.00 C ATOM 1072 CD1 ILE A 74 -7.297 0.129 -13.871 1.00 0.00 C ATOM 0 H ILE A 74 -8.774 2.423 -11.154 1.00 0.00 H new ATOM 0 HA ILE A 74 -10.700 2.483 -13.169 1.00 0.00 H new ATOM 0 HB ILE A 74 -9.147 0.357 -11.725 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -8.814 1.481 -14.541 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -7.912 2.047 -13.150 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -9.705 -1.188 -13.607 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -11.139 -0.728 -12.658 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -10.839 0.028 -14.241 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -6.546 0.560 -14.533 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -6.826 -0.169 -12.934 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -7.742 -0.744 -14.347 1.00 0.00 H new ATOM 1083 N ASN A 75 -11.767 1.198 -10.301 1.00 0.00 N ATOM 1084 CA ASN A 75 -12.953 0.840 -9.522 1.00 0.00 C ATOM 1085 C ASN A 75 -13.531 2.048 -8.759 1.00 0.00 C ATOM 1086 O ASN A 75 -14.439 1.896 -7.945 1.00 0.00 O ATOM 1087 CB ASN A 75 -12.579 -0.287 -8.548 1.00 0.00 C ATOM 1088 CG ASN A 75 -13.801 -1.088 -8.124 1.00 0.00 C ATOM 1089 OD1 ASN A 75 -14.399 -0.861 -7.079 1.00 0.00 O ATOM 1090 ND2 ASN A 75 -14.212 -2.059 -8.918 1.00 0.00 N ATOM 0 H ASN A 75 -10.905 1.141 -9.759 1.00 0.00 H new ATOM 0 HA ASN A 75 -13.731 0.502 -10.206 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -11.854 -0.950 -9.019 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -12.098 0.137 -7.667 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -15.025 -2.618 -8.661 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -13.716 -2.250 -9.789 1.00 0.00 H new ATOM 1096 N GLY A 76 -12.995 3.252 -8.979 1.00 0.00 N ATOM 1097 CA GLY A 76 -13.428 4.470 -8.314 1.00 0.00 C ATOM 1098 C GLY A 76 -12.974 4.574 -6.857 1.00 0.00 C ATOM 1099 O GLY A 76 -13.663 5.217 -6.068 1.00 0.00 O ATOM 0 H GLY A 76 -12.232 3.403 -9.639 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -13.046 5.329 -8.866 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -14.516 4.525 -8.350 1.00 0.00 H new ATOM 1103 N LYS A 77 -11.869 3.935 -6.468 1.00 0.00 N ATOM 1104 CA LYS A 77 -11.381 3.830 -5.090 1.00 0.00 C ATOM 1105 C LYS A 77 -10.165 4.751 -4.899 1.00 0.00 C ATOM 1106 O LYS A 77 -9.614 5.259 -5.880 1.00 0.00 O ATOM 1107 CB LYS A 77 -11.052 2.347 -4.817 1.00 0.00 C ATOM 1108 CG LYS A 77 -12.268 1.397 -4.937 1.00 0.00 C ATOM 1109 CD LYS A 77 -12.845 1.067 -3.562 1.00 0.00 C ATOM 1110 CE LYS A 77 -14.281 0.524 -3.544 1.00 0.00 C ATOM 1111 NZ LYS A 77 -14.506 -0.694 -4.352 1.00 0.00 N ATOM 0 H LYS A 77 -11.263 3.455 -7.133 1.00 0.00 H new ATOM 0 HA LYS A 77 -12.134 4.156 -4.373 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -10.281 2.023 -5.516 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -10.632 2.258 -3.815 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -13.036 1.861 -5.556 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -11.967 0.477 -5.439 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -12.195 0.334 -3.084 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -12.812 1.969 -2.951 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -14.559 0.312 -2.512 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -14.952 1.306 -3.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -15.405 -1.135 -4.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -14.544 -0.440 -5.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -13.727 -1.365 -4.193 1.00 0.00 H new ATOM 1121 N GLU A 78 -9.729 4.961 -3.654 1.00 0.00 N ATOM 1122 CA GLU A 78 -8.619 5.838 -3.277 1.00 0.00 C ATOM 1123 C GLU A 78 -7.485 5.023 -2.651 1.00 0.00 C ATOM 1124 O GLU A 78 -7.709 3.881 -2.258 1.00 0.00 O ATOM 1125 CB GLU A 78 -9.149 6.878 -2.271 1.00 0.00 C ATOM 1126 CG GLU A 78 -8.710 8.304 -2.587 1.00 0.00 C ATOM 1127 CD GLU A 78 -9.175 8.741 -3.980 1.00 0.00 C ATOM 1128 OE1 GLU A 78 -10.383 9.023 -4.149 1.00 0.00 O ATOM 1129 OE2 GLU A 78 -8.344 8.734 -4.921 1.00 0.00 O ATOM 0 H GLU A 78 -10.158 4.505 -2.849 1.00 0.00 H new ATOM 0 HA GLU A 78 -8.223 6.339 -4.160 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -10.238 6.836 -2.256 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -8.806 6.613 -1.271 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -9.114 8.984 -1.838 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -7.624 8.373 -2.527 1.00 0.00 H new ATOM 1134 N PHE A 79 -6.288 5.592 -2.509 1.00 0.00 N ATOM 1135 CA PHE A 79 -5.076 4.871 -2.131 1.00 0.00 C ATOM 1136 C PHE A 79 -4.153 5.827 -1.368 1.00 0.00 C ATOM 1137 O PHE A 79 -3.841 6.907 -1.869 1.00 0.00 O ATOM 1138 CB PHE A 79 -4.424 4.303 -3.402 1.00 0.00 C ATOM 1139 CG PHE A 79 -2.919 4.129 -3.326 1.00 0.00 C ATOM 1140 CD1 PHE A 79 -2.358 2.936 -2.832 1.00 0.00 C ATOM 1141 CD2 PHE A 79 -2.076 5.199 -3.684 1.00 0.00 C ATOM 1142 CE1 PHE A 79 -0.964 2.819 -2.704 1.00 0.00 C ATOM 1143 CE2 PHE A 79 -0.685 5.092 -3.535 1.00 0.00 C ATOM 1144 CZ PHE A 79 -0.130 3.893 -3.060 1.00 0.00 C ATOM 0 H PHE A 79 -6.132 6.589 -2.657 1.00 0.00 H new ATOM 0 HA PHE A 79 -5.296 4.032 -1.472 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -4.876 3.336 -3.623 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -4.657 4.963 -4.238 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -2.998 2.112 -2.552 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -2.504 6.110 -4.077 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -0.532 1.902 -2.331 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -0.046 5.926 -3.784 1.00 0.00 H new ATOM 0 HZ PHE A 79 0.942 3.796 -2.968 1.00 0.00 H new ATOM 1153 N ILE A 80 -3.736 5.465 -0.154 1.00 0.00 N ATOM 1154 CA ILE A 80 -2.865 6.269 0.712 1.00 0.00 C ATOM 1155 C ILE A 80 -1.932 5.291 1.418 1.00 0.00 C ATOM 1156 O ILE A 80 -2.380 4.195 1.750 1.00 0.00 O ATOM 1157 CB ILE A 80 -3.709 7.074 1.732 1.00 0.00 C ATOM 1158 CG1 ILE A 80 -4.759 7.964 1.029 1.00 0.00 C ATOM 1159 CG2 ILE A 80 -2.772 7.928 2.617 1.00 0.00 C ATOM 1160 CD1 ILE A 80 -5.849 8.500 1.955 1.00 0.00 C ATOM 0 H ILE A 80 -4.002 4.576 0.269 1.00 0.00 H new ATOM 0 HA ILE A 80 -2.294 6.996 0.135 1.00 0.00 H new ATOM 0 HB ILE A 80 -4.255 6.369 2.359 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.250 8.806 0.561 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -5.228 7.390 0.229 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -3.366 8.494 3.335 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -2.082 7.275 3.152 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -2.207 8.617 1.989 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -6.544 9.114 1.382 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -6.388 7.666 2.404 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -5.395 9.103 2.741 1.00 0.00 H new ATOM 1171 N LEU A 81 -0.672 5.648 1.677 1.00 0.00 N ATOM 1172 CA LEU A 81 0.222 4.844 2.491 1.00 0.00 C ATOM 1173 C LEU A 81 0.323 5.425 3.881 1.00 0.00 C ATOM 1174 O LEU A 81 0.231 6.636 4.081 1.00 0.00 O ATOM 1175 CB LEU A 81 1.653 4.842 1.957 1.00 0.00 C ATOM 1176 CG LEU A 81 1.842 4.319 0.542 1.00 0.00 C ATOM 1177 CD1 LEU A 81 1.062 3.049 0.185 1.00 0.00 C ATOM 1178 CD2 LEU A 81 1.643 5.402 -0.485 1.00 0.00 C ATOM 0 H LEU A 81 -0.249 6.506 1.324 1.00 0.00 H new ATOM 0 HA LEU A 81 -0.195 3.837 2.480 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.035 5.862 1.999 1.00 0.00 H new ATOM 0 HB3 LEU A 81 2.268 4.243 2.628 1.00 0.00 H new ATOM 0 HG LEU A 81 2.884 4.000 0.521 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.274 2.770 -0.847 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.362 2.239 0.849 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -0.006 3.234 0.299 1.00 0.00 H new ATOM 0 HD21 LEU A 81 1.787 4.988 -1.483 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.633 5.803 -0.400 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.365 6.201 -0.316 1.00 0.00 H new ATOM 1189 N SER A 82 0.638 4.552 4.825 1.00 0.00 N ATOM 1190 CA SER A 82 0.717 4.868 6.205 1.00 0.00 C ATOM 1191 C SER A 82 1.870 4.144 6.896 1.00 0.00 C ATOM 1192 O SER A 82 2.398 3.172 6.360 1.00 0.00 O ATOM 1193 CB SER A 82 -0.680 4.517 6.720 1.00 0.00 C ATOM 1194 OG SER A 82 -1.190 3.259 6.369 1.00 0.00 O ATOM 0 H SER A 82 0.849 3.575 4.623 1.00 0.00 H new ATOM 0 HA SER A 82 0.958 5.911 6.412 1.00 0.00 H new ATOM 0 HB2 SER A 82 -0.667 4.586 7.808 1.00 0.00 H new ATOM 0 HB3 SER A 82 -1.374 5.276 6.361 1.00 0.00 H new ATOM 0 HG SER A 82 -1.628 3.316 5.494 1.00 0.00 H new ATOM 1199 N SER A 83 2.239 4.611 8.087 1.00 0.00 N ATOM 1200 CA SER A 83 3.314 4.091 8.926 1.00 0.00 C ATOM 1201 C SER A 83 4.584 3.700 8.130 1.00 0.00 C ATOM 1202 O SER A 83 5.087 2.577 8.237 1.00 0.00 O ATOM 1203 CB SER A 83 2.748 2.900 9.723 1.00 0.00 C ATOM 1204 OG SER A 83 3.322 2.870 11.018 1.00 0.00 O ATOM 0 H SER A 83 1.768 5.408 8.516 1.00 0.00 H new ATOM 0 HA SER A 83 3.649 4.880 9.600 1.00 0.00 H new ATOM 0 HB2 SER A 83 1.664 2.984 9.798 1.00 0.00 H new ATOM 0 HB3 SER A 83 2.960 1.967 9.200 1.00 0.00 H new ATOM 0 HG SER A 83 2.754 2.341 11.616 1.00 0.00 H new ATOM 1209 N LEU A 84 5.082 4.592 7.266 1.00 0.00 N ATOM 1210 CA LEU A 84 6.261 4.303 6.449 1.00 0.00 C ATOM 1211 C LEU A 84 7.513 4.381 7.315 1.00 0.00 C ATOM 1212 O LEU A 84 7.551 5.096 8.318 1.00 0.00 O ATOM 1213 CB LEU A 84 6.327 5.243 5.232 1.00 0.00 C ATOM 1214 CG LEU A 84 5.383 4.732 4.128 1.00 0.00 C ATOM 1215 CD1 LEU A 84 4.944 5.856 3.196 1.00 0.00 C ATOM 1216 CD2 LEU A 84 6.028 3.604 3.310 1.00 0.00 C ATOM 0 H LEU A 84 4.685 5.520 7.116 1.00 0.00 H new ATOM 0 HA LEU A 84 6.192 3.290 6.053 1.00 0.00 H new ATOM 0 HB2 LEU A 84 6.045 6.254 5.526 1.00 0.00 H new ATOM 0 HB3 LEU A 84 7.349 5.294 4.855 1.00 0.00 H new ATOM 0 HG LEU A 84 4.502 4.337 4.633 1.00 0.00 H new ATOM 0 HD11 LEU A 84 4.279 5.455 2.431 1.00 0.00 H new ATOM 0 HD12 LEU A 84 4.419 6.620 3.769 1.00 0.00 H new ATOM 0 HD13 LEU A 84 5.820 6.297 2.721 1.00 0.00 H new ATOM 0 HD21 LEU A 84 5.332 3.269 2.541 1.00 0.00 H new ATOM 0 HD22 LEU A 84 6.940 3.971 2.840 1.00 0.00 H new ATOM 0 HD23 LEU A 84 6.270 2.770 3.968 1.00 0.00 H new ATOM 1227 N LYS A 85 8.546 3.625 6.937 1.00 0.00 N ATOM 1228 CA LYS A 85 9.794 3.557 7.690 1.00 0.00 C ATOM 1229 C LYS A 85 10.801 4.534 7.136 1.00 0.00 C ATOM 1230 O LYS A 85 10.835 4.796 5.939 1.00 0.00 O ATOM 1231 CB LYS A 85 10.360 2.137 7.681 1.00 0.00 C ATOM 1232 CG LYS A 85 9.460 1.181 8.468 1.00 0.00 C ATOM 1233 CD LYS A 85 10.228 -0.104 8.795 1.00 0.00 C ATOM 1234 CE LYS A 85 9.450 -1.028 9.729 1.00 0.00 C ATOM 1235 NZ LYS A 85 8.797 -2.140 9.042 1.00 0.00 N ATOM 0 H LYS A 85 8.538 3.043 6.099 1.00 0.00 H new ATOM 0 HA LYS A 85 9.582 3.830 8.724 1.00 0.00 H new ATOM 0 HB2 LYS A 85 10.457 1.787 6.653 1.00 0.00 H new ATOM 0 HB3 LYS A 85 11.361 2.138 8.113 1.00 0.00 H new ATOM 0 HG2 LYS A 85 9.123 1.659 9.388 1.00 0.00 H new ATOM 0 HG3 LYS A 85 8.569 0.945 7.887 1.00 0.00 H new ATOM 0 HD2 LYS A 85 10.454 -0.634 7.870 1.00 0.00 H new ATOM 0 HD3 LYS A 85 11.182 0.154 9.255 1.00 0.00 H new ATOM 0 HE2 LYS A 85 10.130 -1.426 10.482 1.00 0.00 H new ATOM 0 HE3 LYS A 85 8.696 -0.445 10.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 7.962 -2.441 9.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 8.501 -1.836 8.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 9.462 -2.936 8.959 1.00 0.00 H new ATOM 1245 N GLU A 86 11.715 4.972 7.986 1.00 0.00 N ATOM 1246 CA GLU A 86 12.726 5.970 7.672 1.00 0.00 C ATOM 1247 C GLU A 86 13.747 5.473 6.637 1.00 0.00 C ATOM 1248 O GLU A 86 14.432 6.282 6.006 1.00 0.00 O ATOM 1249 CB GLU A 86 13.383 6.343 9.006 1.00 0.00 C ATOM 1250 CG GLU A 86 14.515 7.367 8.920 1.00 0.00 C ATOM 1251 CD GLU A 86 14.072 8.753 8.463 1.00 0.00 C ATOM 1252 OE1 GLU A 86 12.984 9.216 8.858 1.00 0.00 O ATOM 1253 OE2 GLU A 86 14.856 9.418 7.747 1.00 0.00 O ATOM 0 H GLU A 86 11.776 4.632 8.946 1.00 0.00 H new ATOM 0 HA GLU A 86 12.272 6.843 7.202 1.00 0.00 H new ATOM 0 HB2 GLU A 86 12.614 6.733 9.673 1.00 0.00 H new ATOM 0 HB3 GLU A 86 13.773 5.435 9.465 1.00 0.00 H new ATOM 0 HG2 GLU A 86 14.987 7.453 9.899 1.00 0.00 H new ATOM 0 HG3 GLU A 86 15.274 6.995 8.232 1.00 0.00 H new ATOM 1258 N SER A 87 13.822 4.161 6.409 1.00 0.00 N ATOM 1259 CA SER A 87 14.675 3.580 5.374 1.00 0.00 C ATOM 1260 C SER A 87 13.951 3.491 4.021 1.00 0.00 C ATOM 1261 O SER A 87 14.581 3.181 3.008 1.00 0.00 O ATOM 1262 CB SER A 87 15.111 2.191 5.850 1.00 0.00 C ATOM 1263 OG SER A 87 16.243 1.699 5.166 1.00 0.00 O ATOM 0 H SER A 87 13.291 3.470 6.939 1.00 0.00 H new ATOM 0 HA SER A 87 15.543 4.220 5.218 1.00 0.00 H new ATOM 0 HB2 SER A 87 15.329 2.232 6.917 1.00 0.00 H new ATOM 0 HB3 SER A 87 14.284 1.493 5.720 1.00 0.00 H new ATOM 0 HG SER A 87 16.199 1.968 4.225 1.00 0.00 H new ATOM 1268 N ILE A 88 12.645 3.770 3.980 1.00 0.00 N ATOM 1269 CA ILE A 88 11.735 3.390 2.913 1.00 0.00 C ATOM 1270 C ILE A 88 11.071 4.659 2.387 1.00 0.00 C ATOM 1271 O ILE A 88 10.960 4.854 1.179 1.00 0.00 O ATOM 1272 CB ILE A 88 10.688 2.396 3.453 1.00 0.00 C ATOM 1273 CG1 ILE A 88 11.297 1.136 4.128 1.00 0.00 C ATOM 1274 CG2 ILE A 88 9.715 2.014 2.332 1.00 0.00 C ATOM 1275 CD1 ILE A 88 11.997 0.143 3.204 1.00 0.00 C ATOM 0 H ILE A 88 12.180 4.289 4.725 1.00 0.00 H new ATOM 0 HA ILE A 88 12.271 2.898 2.101 1.00 0.00 H new ATOM 0 HB ILE A 88 10.150 2.908 4.251 1.00 0.00 H new ATOM 0 HG12 ILE A 88 12.013 1.464 4.882 1.00 0.00 H new ATOM 0 HG13 ILE A 88 10.499 0.610 4.653 1.00 0.00 H new ATOM 0 HG21 ILE A 88 8.976 1.311 2.716 1.00 0.00 H new ATOM 0 HG22 ILE A 88 9.210 2.909 1.968 1.00 0.00 H new ATOM 0 HG23 ILE A 88 10.266 1.550 1.514 1.00 0.00 H new ATOM 0 HD11 ILE A 88 12.380 -0.692 3.791 1.00 0.00 H new ATOM 0 HD12 ILE A 88 11.288 -0.228 2.464 1.00 0.00 H new ATOM 0 HD13 ILE A 88 12.824 0.639 2.696 1.00 0.00 H new ATOM 1286 N SER A 89 10.691 5.569 3.282 1.00 0.00 N ATOM 1287 CA SER A 89 10.164 6.865 2.898 1.00 0.00 C ATOM 1288 C SER A 89 11.187 7.575 1.991 1.00 0.00 C ATOM 1289 O SER A 89 10.856 8.011 0.887 1.00 0.00 O ATOM 1290 CB SER A 89 9.773 7.711 4.118 1.00 0.00 C ATOM 1291 OG SER A 89 8.365 7.756 4.252 1.00 0.00 O ATOM 0 H SER A 89 10.742 5.423 4.290 1.00 0.00 H new ATOM 0 HA SER A 89 9.241 6.723 2.336 1.00 0.00 H new ATOM 0 HB2 SER A 89 10.218 7.289 5.019 1.00 0.00 H new ATOM 0 HB3 SER A 89 10.168 8.721 4.010 1.00 0.00 H new ATOM 0 HG SER A 89 8.128 8.297 5.034 1.00 0.00 H new ATOM 1296 N ARG A 90 12.466 7.578 2.386 1.00 0.00 N ATOM 1297 CA ARG A 90 13.577 8.094 1.591 1.00 0.00 C ATOM 1298 C ARG A 90 13.661 7.395 0.253 1.00 0.00 C ATOM 1299 O ARG A 90 13.998 8.038 -0.724 1.00 0.00 O ATOM 1300 CB ARG A 90 14.905 7.958 2.337 1.00 0.00 C ATOM 1301 CG ARG A 90 15.471 6.535 2.294 1.00 0.00 C ATOM 1302 CD ARG A 90 16.646 6.418 3.227 1.00 0.00 C ATOM 1303 NE ARG A 90 17.834 7.150 2.758 1.00 0.00 N ATOM 1304 CZ ARG A 90 18.706 6.711 1.842 1.00 0.00 C ATOM 1305 NH1 ARG A 90 18.549 5.522 1.267 1.00 0.00 N ATOM 1306 NH2 ARG A 90 19.738 7.470 1.500 1.00 0.00 N ATOM 0 H ARG A 90 12.760 7.211 3.291 1.00 0.00 H new ATOM 0 HA ARG A 90 13.386 9.153 1.419 1.00 0.00 H new ATOM 0 HB2 ARG A 90 15.631 8.646 1.904 1.00 0.00 H new ATOM 0 HB3 ARG A 90 14.764 8.256 3.376 1.00 0.00 H new ATOM 0 HG2 ARG A 90 14.699 5.819 2.577 1.00 0.00 H new ATOM 0 HG3 ARG A 90 15.778 6.288 1.278 1.00 0.00 H new ATOM 0 HD2 ARG A 90 16.360 6.794 4.210 1.00 0.00 H new ATOM 0 HD3 ARG A 90 16.901 5.365 3.350 1.00 0.00 H new ATOM 0 HE ARG A 90 18.007 8.069 3.165 1.00 0.00 H new ATOM 0 HH11 ARG A 90 17.757 4.933 1.523 1.00 0.00 H new ATOM 0 HH12 ARG A 90 19.221 5.200 0.570 1.00 0.00 H new ATOM 0 HH21 ARG A 90 19.865 8.384 1.934 1.00 0.00 H new ATOM 0 HH22 ARG A 90 20.405 7.140 0.803 1.00 0.00 H new ATOM 1317 N ILE A 91 13.429 6.083 0.213 1.00 0.00 N ATOM 1318 CA ILE A 91 13.597 5.273 -0.970 1.00 0.00 C ATOM 1319 C ILE A 91 12.571 5.796 -1.966 1.00 0.00 C ATOM 1320 O ILE A 91 12.919 6.134 -3.090 1.00 0.00 O ATOM 1321 CB ILE A 91 13.392 3.787 -0.585 1.00 0.00 C ATOM 1322 CG1 ILE A 91 14.757 3.144 -0.309 1.00 0.00 C ATOM 1323 CG2 ILE A 91 12.563 2.984 -1.603 1.00 0.00 C ATOM 1324 CD1 ILE A 91 14.625 1.672 0.104 1.00 0.00 C ATOM 0 H ILE A 91 13.113 5.553 1.025 1.00 0.00 H new ATOM 0 HA ILE A 91 14.590 5.332 -1.416 1.00 0.00 H new ATOM 0 HB ILE A 91 12.790 3.764 0.324 1.00 0.00 H new ATOM 0 HG12 ILE A 91 15.379 3.216 -1.201 1.00 0.00 H new ATOM 0 HG13 ILE A 91 15.266 3.698 0.480 1.00 0.00 H new ATOM 0 HG21 ILE A 91 12.465 1.954 -1.261 1.00 0.00 H new ATOM 0 HG22 ILE A 91 11.573 3.430 -1.699 1.00 0.00 H new ATOM 0 HG23 ILE A 91 13.063 2.999 -2.572 1.00 0.00 H new ATOM 0 HD11 ILE A 91 15.615 1.256 0.290 1.00 0.00 H new ATOM 0 HD12 ILE A 91 14.026 1.601 1.012 1.00 0.00 H new ATOM 0 HD13 ILE A 91 14.140 1.112 -0.696 1.00 0.00 H new ATOM 1335 N LEU A 92 11.318 5.921 -1.522 1.00 0.00 N ATOM 1336 CA LEU A 92 10.221 6.408 -2.325 1.00 0.00 C ATOM 1337 C LEU A 92 10.573 7.806 -2.808 1.00 0.00 C ATOM 1338 O LEU A 92 10.552 8.052 -4.011 1.00 0.00 O ATOM 1339 CB LEU A 92 8.929 6.364 -1.511 1.00 0.00 C ATOM 1340 CG LEU A 92 8.511 4.911 -1.203 1.00 0.00 C ATOM 1341 CD1 LEU A 92 7.724 4.818 0.105 1.00 0.00 C ATOM 1342 CD2 LEU A 92 7.728 4.333 -2.385 1.00 0.00 C ATOM 0 H LEU A 92 11.044 5.678 -0.570 1.00 0.00 H new ATOM 0 HA LEU A 92 10.056 5.780 -3.200 1.00 0.00 H new ATOM 0 HB2 LEU A 92 9.065 6.911 -0.578 1.00 0.00 H new ATOM 0 HB3 LEU A 92 8.133 6.865 -2.061 1.00 0.00 H new ATOM 0 HG LEU A 92 9.411 4.311 -1.064 1.00 0.00 H new ATOM 0 HD11 LEU A 92 7.446 3.780 0.290 1.00 0.00 H new ATOM 0 HD12 LEU A 92 8.341 5.180 0.927 1.00 0.00 H new ATOM 0 HD13 LEU A 92 6.823 5.427 0.032 1.00 0.00 H new ATOM 0 HD21 LEU A 92 7.436 3.307 -2.161 1.00 0.00 H new ATOM 0 HD22 LEU A 92 6.836 4.934 -2.559 1.00 0.00 H new ATOM 0 HD23 LEU A 92 8.354 4.345 -3.277 1.00 0.00 H new ATOM 1353 N LYS A 93 10.976 8.704 -1.909 1.00 0.00 N ATOM 1354 CA LYS A 93 11.418 10.050 -2.237 1.00 0.00 C ATOM 1355 C LYS A 93 12.461 10.022 -3.358 1.00 0.00 C ATOM 1356 O LYS A 93 12.258 10.674 -4.385 1.00 0.00 O ATOM 1357 CB LYS A 93 11.896 10.730 -0.940 1.00 0.00 C ATOM 1358 CG LYS A 93 12.795 11.923 -1.239 1.00 0.00 C ATOM 1359 CD LYS A 93 12.828 12.999 -0.140 1.00 0.00 C ATOM 1360 CE LYS A 93 13.520 12.503 1.133 1.00 0.00 C ATOM 1361 NZ LYS A 93 13.528 13.509 2.215 1.00 0.00 N ATOM 0 H LYS A 93 11.003 8.506 -0.909 1.00 0.00 H new ATOM 0 HA LYS A 93 10.599 10.648 -2.637 1.00 0.00 H new ATOM 0 HB2 LYS A 93 11.034 11.058 -0.360 1.00 0.00 H new ATOM 0 HB3 LYS A 93 12.437 10.009 -0.327 1.00 0.00 H new ATOM 0 HG2 LYS A 93 13.810 11.562 -1.405 1.00 0.00 H new ATOM 0 HG3 LYS A 93 12.465 12.384 -2.170 1.00 0.00 H new ATOM 0 HD2 LYS A 93 13.347 13.882 -0.513 1.00 0.00 H new ATOM 0 HD3 LYS A 93 11.809 13.305 0.098 1.00 0.00 H new ATOM 0 HE2 LYS A 93 13.018 11.602 1.486 1.00 0.00 H new ATOM 0 HE3 LYS A 93 14.547 12.224 0.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 14.009 13.117 3.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 14.031 14.361 1.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 12.550 13.758 2.464 1.00 0.00 H new ATOM 1371 N LEU A 94 13.527 9.248 -3.172 1.00 0.00 N ATOM 1372 CA LEU A 94 14.634 9.038 -4.094 1.00 0.00 C ATOM 1373 C LEU A 94 14.092 8.625 -5.462 1.00 0.00 C ATOM 1374 O LEU A 94 14.372 9.297 -6.456 1.00 0.00 O ATOM 1375 CB LEU A 94 15.614 8.001 -3.492 1.00 0.00 C ATOM 1376 CG LEU A 94 16.548 8.545 -2.391 1.00 0.00 C ATOM 1377 CD1 LEU A 94 17.229 7.392 -1.646 1.00 0.00 C ATOM 1378 CD2 LEU A 94 17.616 9.482 -2.940 1.00 0.00 C ATOM 0 H LEU A 94 13.646 8.714 -2.311 1.00 0.00 H new ATOM 0 HA LEU A 94 15.194 9.962 -4.241 1.00 0.00 H new ATOM 0 HB2 LEU A 94 15.036 7.174 -3.080 1.00 0.00 H new ATOM 0 HB3 LEU A 94 16.226 7.593 -4.296 1.00 0.00 H new ATOM 0 HG LEU A 94 15.919 9.115 -1.707 1.00 0.00 H new ATOM 0 HD11 LEU A 94 17.884 7.795 -0.873 1.00 0.00 H new ATOM 0 HD12 LEU A 94 16.471 6.758 -1.185 1.00 0.00 H new ATOM 0 HD13 LEU A 94 17.817 6.802 -2.349 1.00 0.00 H new ATOM 0 HD21 LEU A 94 18.245 9.835 -2.123 1.00 0.00 H new ATOM 0 HD22 LEU A 94 18.230 8.949 -3.666 1.00 0.00 H new ATOM 0 HD23 LEU A 94 17.139 10.334 -3.425 1.00 0.00 H new ATOM 1389 N THR A 95 13.244 7.591 -5.517 1.00 0.00 N ATOM 1390 CA THR A 95 12.578 7.105 -6.729 1.00 0.00 C ATOM 1391 C THR A 95 11.524 8.037 -7.312 1.00 0.00 C ATOM 1392 O THR A 95 10.878 7.692 -8.300 1.00 0.00 O ATOM 1393 CB THR A 95 11.990 5.697 -6.488 1.00 0.00 C ATOM 1394 OG1 THR A 95 11.226 5.635 -5.306 1.00 0.00 O ATOM 1395 CG2 THR A 95 13.088 4.639 -6.385 1.00 0.00 C ATOM 0 H THR A 95 12.995 7.051 -4.688 1.00 0.00 H new ATOM 0 HA THR A 95 13.360 7.064 -7.488 1.00 0.00 H new ATOM 0 HB THR A 95 11.352 5.496 -7.348 1.00 0.00 H new ATOM 0 HG1 THR A 95 11.044 6.543 -4.986 1.00 0.00 H new ATOM 0 HG21 THR A 95 12.637 3.661 -6.215 1.00 0.00 H new ATOM 0 HG22 THR A 95 13.661 4.618 -7.312 1.00 0.00 H new ATOM 0 HG23 THR A 95 13.750 4.882 -5.554 1.00 0.00 H new ATOM 1403 N HIS A 96 11.357 9.224 -6.748 1.00 0.00 N ATOM 1404 CA HIS A 96 10.322 10.177 -7.092 1.00 0.00 C ATOM 1405 C HIS A 96 8.929 9.567 -6.901 1.00 0.00 C ATOM 1406 O HIS A 96 8.019 9.910 -7.633 1.00 0.00 O ATOM 1407 CB HIS A 96 10.460 10.774 -8.528 1.00 0.00 C ATOM 1408 CG HIS A 96 11.797 10.549 -9.192 1.00 0.00 C ATOM 1409 ND1 HIS A 96 13.037 10.880 -8.673 1.00 0.00 N ATOM 1410 CD2 HIS A 96 11.989 9.767 -10.298 1.00 0.00 C ATOM 1411 CE1 HIS A 96 13.965 10.282 -9.445 1.00 0.00 C ATOM 1412 NE2 HIS A 96 13.351 9.612 -10.441 1.00 0.00 N ATOM 0 H HIS A 96 11.969 9.561 -6.005 1.00 0.00 H new ATOM 0 HA HIS A 96 10.453 11.011 -6.402 1.00 0.00 H new ATOM 0 HB2 HIS A 96 9.682 10.344 -9.159 1.00 0.00 H new ATOM 0 HB3 HIS A 96 10.273 11.847 -8.478 1.00 0.00 H new ATOM 0 HD2 HIS A 96 11.222 9.352 -10.935 1.00 0.00 H new ATOM 0 HE1 HIS A 96 15.033 10.331 -9.290 1.00 0.00 H new ATOM 0 HE2 HIS A 96 13.816 9.080 -11.177 1.00 0.00 H new ATOM 1420 N LEU A 97 8.726 8.672 -5.940 1.00 0.00 N ATOM 1421 CA LEU A 97 7.430 8.088 -5.628 1.00 0.00 C ATOM 1422 C LEU A 97 6.677 8.990 -4.656 1.00 0.00 C ATOM 1423 O LEU A 97 5.476 9.154 -4.793 1.00 0.00 O ATOM 1424 CB LEU A 97 7.654 6.685 -5.036 1.00 0.00 C ATOM 1425 CG LEU A 97 7.614 5.508 -6.029 1.00 0.00 C ATOM 1426 CD1 LEU A 97 6.187 5.028 -6.168 1.00 0.00 C ATOM 1427 CD2 LEU A 97 8.139 5.778 -7.433 1.00 0.00 C ATOM 0 H LEU A 97 9.477 8.325 -5.343 1.00 0.00 H new ATOM 0 HA LEU A 97 6.825 7.997 -6.530 1.00 0.00 H new ATOM 0 HB2 LEU A 97 8.622 6.676 -4.535 1.00 0.00 H new ATOM 0 HB3 LEU A 97 6.897 6.512 -4.271 1.00 0.00 H new ATOM 0 HG LEU A 97 8.290 4.772 -5.594 1.00 0.00 H new ATOM 0 HD11 LEU A 97 6.150 4.195 -6.870 1.00 0.00 H new ATOM 0 HD12 LEU A 97 5.817 4.701 -5.196 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.564 5.842 -6.538 1.00 0.00 H new ATOM 0 HD21 LEU A 97 8.056 4.872 -8.033 1.00 0.00 H new ATOM 0 HD22 LEU A 97 7.553 6.573 -7.894 1.00 0.00 H new ATOM 0 HD23 LEU A 97 9.184 6.083 -7.378 1.00 0.00 H new ATOM 1438 N ASP A 98 7.333 9.639 -3.695 1.00 0.00 N ATOM 1439 CA ASP A 98 6.585 10.428 -2.705 1.00 0.00 C ATOM 1440 C ASP A 98 5.968 11.701 -3.316 1.00 0.00 C ATOM 1441 O ASP A 98 4.966 12.203 -2.812 1.00 0.00 O ATOM 1442 CB ASP A 98 7.442 10.704 -1.466 1.00 0.00 C ATOM 1443 CG ASP A 98 8.095 12.075 -1.484 1.00 0.00 C ATOM 1444 OD1 ASP A 98 8.877 12.325 -2.427 1.00 0.00 O ATOM 1445 OD2 ASP A 98 7.866 12.870 -0.545 1.00 0.00 O ATOM 0 H ASP A 98 8.346 9.639 -3.577 1.00 0.00 H new ATOM 0 HA ASP A 98 5.736 9.831 -2.373 1.00 0.00 H new ATOM 0 HB2 ASP A 98 6.820 10.617 -0.575 1.00 0.00 H new ATOM 0 HB3 ASP A 98 8.216 9.941 -1.390 1.00 0.00 H new ATOM 1449 N LYS A 99 6.481 12.156 -4.470 1.00 0.00 N ATOM 1450 CA LYS A 99 5.899 13.232 -5.286 1.00 0.00 C ATOM 1451 C LYS A 99 4.516 12.883 -5.847 1.00 0.00 C ATOM 1452 O LYS A 99 3.837 13.774 -6.365 1.00 0.00 O ATOM 1453 CB LYS A 99 6.797 13.702 -6.461 1.00 0.00 C ATOM 1454 CG LYS A 99 8.047 12.910 -6.814 1.00 0.00 C ATOM 1455 CD LYS A 99 9.370 13.598 -6.435 1.00 0.00 C ATOM 1456 CE LYS A 99 9.797 13.307 -5.005 1.00 0.00 C ATOM 1457 NZ LYS A 99 11.167 13.793 -4.742 1.00 0.00 N ATOM 0 H LYS A 99 7.337 11.774 -4.872 1.00 0.00 H new ATOM 0 HA LYS A 99 5.809 14.053 -4.575 1.00 0.00 H new ATOM 0 HB2 LYS A 99 6.173 13.741 -7.354 1.00 0.00 H new ATOM 0 HB3 LYS A 99 7.108 14.724 -6.245 1.00 0.00 H new ATOM 0 HG2 LYS A 99 8.000 11.942 -6.315 1.00 0.00 H new ATOM 0 HG3 LYS A 99 8.048 12.717 -7.887 1.00 0.00 H new ATOM 0 HD2 LYS A 99 10.154 13.269 -7.117 1.00 0.00 H new ATOM 0 HD3 LYS A 99 9.265 14.675 -6.566 1.00 0.00 H new ATOM 0 HE2 LYS A 99 9.102 13.781 -4.312 1.00 0.00 H new ATOM 0 HE3 LYS A 99 9.748 12.234 -4.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 11.795 12.983 -4.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 11.511 14.324 -5.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 11.161 14.415 -3.908 1.00 0.00 H new ATOM 1467 N ILE A 100 4.142 11.605 -5.846 1.00 0.00 N ATOM 1468 CA ILE A 100 3.102 11.041 -6.698 1.00 0.00 C ATOM 1469 C ILE A 100 2.281 9.965 -5.962 1.00 0.00 C ATOM 1470 O ILE A 100 1.346 9.404 -6.533 1.00 0.00 O ATOM 1471 CB ILE A 100 3.760 10.506 -7.996 1.00 0.00 C ATOM 1472 CG1 ILE A 100 4.990 9.635 -7.749 1.00 0.00 C ATOM 1473 CG2 ILE A 100 4.210 11.646 -8.941 1.00 0.00 C ATOM 1474 CD1 ILE A 100 5.497 8.900 -8.991 1.00 0.00 C ATOM 0 H ILE A 100 4.570 10.913 -5.231 1.00 0.00 H new ATOM 0 HA ILE A 100 2.386 11.818 -6.964 1.00 0.00 H new ATOM 0 HB ILE A 100 2.972 9.906 -8.451 1.00 0.00 H new ATOM 0 HG12 ILE A 100 5.792 10.261 -7.358 1.00 0.00 H new ATOM 0 HG13 ILE A 100 4.753 8.902 -6.978 1.00 0.00 H new ATOM 0 HG21 ILE A 100 4.664 11.219 -9.835 1.00 0.00 H new ATOM 0 HG22 ILE A 100 3.345 12.246 -9.224 1.00 0.00 H new ATOM 0 HG23 ILE A 100 4.938 12.276 -8.430 1.00 0.00 H new ATOM 0 HD11 ILE A 100 6.372 8.305 -8.730 1.00 0.00 H new ATOM 0 HD12 ILE A 100 4.713 8.245 -9.372 1.00 0.00 H new ATOM 0 HD13 ILE A 100 5.768 9.626 -9.758 1.00 0.00 H new ATOM 1485 N PHE A 101 2.611 9.679 -4.705 1.00 0.00 N ATOM 1486 CA PHE A 101 1.930 8.798 -3.761 1.00 0.00 C ATOM 1487 C PHE A 101 1.371 9.662 -2.624 1.00 0.00 C ATOM 1488 O PHE A 101 1.385 10.893 -2.726 1.00 0.00 O ATOM 1489 CB PHE A 101 2.952 7.767 -3.255 1.00 0.00 C ATOM 1490 CG PHE A 101 3.088 6.498 -4.070 1.00 0.00 C ATOM 1491 CD1 PHE A 101 2.903 6.469 -5.462 1.00 0.00 C ATOM 1492 CD2 PHE A 101 3.442 5.310 -3.419 1.00 0.00 C ATOM 1493 CE1 PHE A 101 3.023 5.276 -6.171 1.00 0.00 C ATOM 1494 CE2 PHE A 101 3.562 4.107 -4.114 1.00 0.00 C ATOM 1495 CZ PHE A 101 3.340 4.106 -5.490 1.00 0.00 C ATOM 0 H PHE A 101 3.440 10.098 -4.283 1.00 0.00 H new ATOM 0 HA PHE A 101 1.100 8.261 -4.220 1.00 0.00 H new ATOM 0 HB2 PHE A 101 3.929 8.249 -3.208 1.00 0.00 H new ATOM 0 HB3 PHE A 101 2.683 7.491 -2.235 1.00 0.00 H new ATOM 0 HD1 PHE A 101 2.665 7.382 -5.988 1.00 0.00 H new ATOM 0 HD2 PHE A 101 3.626 5.326 -2.355 1.00 0.00 H new ATOM 0 HE1 PHE A 101 2.871 5.260 -7.240 1.00 0.00 H new ATOM 0 HE2 PHE A 101 3.822 3.195 -3.597 1.00 0.00 H new ATOM 0 HZ PHE A 101 3.416 3.178 -6.038 1.00 0.00 H new ATOM 1504 N LYS A 102 0.887 9.053 -1.531 1.00 0.00 N ATOM 1505 CA LYS A 102 0.375 9.837 -0.408 1.00 0.00 C ATOM 1506 C LYS A 102 0.802 9.168 0.873 1.00 0.00 C ATOM 1507 O LYS A 102 0.769 7.943 0.918 1.00 0.00 O ATOM 1508 CB LYS A 102 -1.146 10.008 -0.550 1.00 0.00 C ATOM 1509 CG LYS A 102 -1.689 10.905 0.564 1.00 0.00 C ATOM 1510 CD LYS A 102 -3.085 11.477 0.286 1.00 0.00 C ATOM 1511 CE LYS A 102 -3.731 11.713 1.655 1.00 0.00 C ATOM 1512 NZ LYS A 102 -4.697 12.825 1.683 1.00 0.00 N ATOM 0 H LYS A 102 0.841 8.042 -1.406 1.00 0.00 H new ATOM 0 HA LYS A 102 0.788 10.846 -0.396 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -1.380 10.442 -1.522 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -1.633 9.034 -0.511 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -1.721 10.334 1.492 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -0.995 11.731 0.721 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -3.019 12.407 -0.279 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -3.678 10.783 -0.310 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -4.236 10.799 1.968 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -2.946 11.910 2.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -5.089 12.920 2.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -4.217 13.708 1.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -5.467 12.633 1.011 1.00 0.00 H new ATOM 1522 N ILE A 103 1.248 9.942 1.856 1.00 0.00 N ATOM 1523 CA ILE A 103 1.899 9.433 3.043 1.00 0.00 C ATOM 1524 C ILE A 103 1.305 10.117 4.271 1.00 0.00 C ATOM 1525 O ILE A 103 1.186 11.343 4.282 1.00 0.00 O ATOM 1526 CB ILE A 103 3.430 9.662 2.975 1.00 0.00 C ATOM 1527 CG1 ILE A 103 4.088 8.910 1.796 1.00 0.00 C ATOM 1528 CG2 ILE A 103 4.073 9.204 4.298 1.00 0.00 C ATOM 1529 CD1 ILE A 103 4.256 9.753 0.527 1.00 0.00 C ATOM 0 H ILE A 103 1.163 10.958 1.844 1.00 0.00 H new ATOM 0 HA ILE A 103 1.730 8.358 3.111 1.00 0.00 H new ATOM 0 HB ILE A 103 3.596 10.727 2.815 1.00 0.00 H new ATOM 0 HG12 ILE A 103 5.067 8.549 2.111 1.00 0.00 H new ATOM 0 HG13 ILE A 103 3.486 8.033 1.559 1.00 0.00 H new ATOM 0 HG21 ILE A 103 5.150 9.364 4.253 1.00 0.00 H new ATOM 0 HG22 ILE A 103 3.655 9.779 5.124 1.00 0.00 H new ATOM 0 HG23 ILE A 103 3.870 8.145 4.454 1.00 0.00 H new ATOM 0 HD11 ILE A 103 4.725 9.150 -0.251 1.00 0.00 H new ATOM 0 HD12 ILE A 103 3.279 10.092 0.183 1.00 0.00 H new ATOM 0 HD13 ILE A 103 4.884 10.617 0.745 1.00 0.00 H new ATOM 1540 N THR A 104 1.027 9.342 5.321 1.00 0.00 N ATOM 1541 CA THR A 104 0.642 9.850 6.633 1.00 0.00 C ATOM 1542 C THR A 104 1.388 9.131 7.750 1.00 0.00 C ATOM 1543 O THR A 104 2.281 8.313 7.516 1.00 0.00 O ATOM 1544 CB THR A 104 -0.888 9.818 6.761 1.00 0.00 C ATOM 1545 OG1 THR A 104 -1.371 8.490 6.794 1.00 0.00 O ATOM 1546 CG2 THR A 104 -1.587 10.601 5.649 1.00 0.00 C ATOM 0 H THR A 104 1.065 8.324 5.279 1.00 0.00 H new ATOM 0 HA THR A 104 0.943 10.893 6.736 1.00 0.00 H new ATOM 0 HB THR A 104 -1.125 10.306 7.706 1.00 0.00 H new ATOM 0 HG1 THR A 104 -1.777 8.311 7.668 1.00 0.00 H new ATOM 0 HG21 THR A 104 -2.667 10.545 5.788 1.00 0.00 H new ATOM 0 HG22 THR A 104 -1.270 11.643 5.683 1.00 0.00 H new ATOM 0 HG23 THR A 104 -1.323 10.173 4.682 1.00 0.00 H new ATOM 1554 N ASP A 105 0.970 9.359 8.993 1.00 0.00 N ATOM 1555 CA ASP A 105 1.634 8.915 10.217 1.00 0.00 C ATOM 1556 C ASP A 105 0.816 7.826 10.884 1.00 0.00 C ATOM 1557 O ASP A 105 1.362 6.798 11.285 1.00 0.00 O ATOM 1558 CB ASP A 105 1.708 10.065 11.235 1.00 0.00 C ATOM 1559 CG ASP A 105 3.048 10.779 11.316 1.00 0.00 C ATOM 1560 OD1 ASP A 105 3.775 10.862 10.303 1.00 0.00 O ATOM 1561 OD2 ASP A 105 3.330 11.288 12.428 1.00 0.00 O ATOM 0 H ASP A 105 0.117 9.884 9.184 1.00 0.00 H new ATOM 0 HA ASP A 105 2.628 8.564 9.939 1.00 0.00 H new ATOM 0 HB2 ASP A 105 0.940 10.797 10.987 1.00 0.00 H new ATOM 0 HB3 ASP A 105 1.465 9.670 12.222 1.00 0.00 H new ATOM 1565 N THR A 106 -0.494 8.048 10.962 1.00 0.00 N ATOM 1566 CA THR A 106 -1.443 7.039 11.382 1.00 0.00 C ATOM 1567 C THR A 106 -2.390 6.772 10.219 1.00 0.00 C ATOM 1568 O THR A 106 -2.698 7.668 9.423 1.00 0.00 O ATOM 1569 CB THR A 106 -2.111 7.453 12.703 1.00 0.00 C ATOM 1570 OG1 THR A 106 -2.702 8.733 12.623 1.00 0.00 O ATOM 1571 CG2 THR A 106 -1.070 7.500 13.823 1.00 0.00 C ATOM 0 H THR A 106 -0.923 8.944 10.732 1.00 0.00 H new ATOM 0 HA THR A 106 -0.962 6.089 11.615 1.00 0.00 H new ATOM 0 HB THR A 106 -2.884 6.712 12.907 1.00 0.00 H new ATOM 0 HG1 THR A 106 -3.116 8.956 13.483 1.00 0.00 H new ATOM 0 HG21 THR A 106 -1.552 7.794 14.755 1.00 0.00 H new ATOM 0 HG22 THR A 106 -0.619 6.515 13.942 1.00 0.00 H new ATOM 0 HG23 THR A 106 -0.296 8.225 13.570 1.00 0.00 H new ATOM 1579 N VAL A 107 -2.891 5.541 10.133 1.00 0.00 N ATOM 1580 CA VAL A 107 -3.962 5.156 9.223 1.00 0.00 C ATOM 1581 C VAL A 107 -5.195 6.045 9.417 1.00 0.00 C ATOM 1582 O VAL A 107 -5.956 6.300 8.488 1.00 0.00 O ATOM 1583 CB VAL A 107 -4.296 3.668 9.444 1.00 0.00 C ATOM 1584 CG1 VAL A 107 -3.147 2.787 8.954 1.00 0.00 C ATOM 1585 CG2 VAL A 107 -4.559 3.309 10.912 1.00 0.00 C ATOM 0 H VAL A 107 -2.555 4.768 10.708 1.00 0.00 H new ATOM 0 HA VAL A 107 -3.632 5.296 8.193 1.00 0.00 H new ATOM 0 HB VAL A 107 -5.211 3.490 8.878 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -3.397 1.739 9.117 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -2.984 2.960 7.890 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -2.239 3.033 9.505 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -4.787 2.246 10.991 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -3.674 3.535 11.506 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -5.403 3.890 11.283 1.00 0.00 H new ATOM 1595 N GLU A 108 -5.366 6.572 10.624 1.00 0.00 N ATOM 1596 CA GLU A 108 -6.414 7.517 10.964 1.00 0.00 C ATOM 1597 C GLU A 108 -6.245 8.842 10.208 1.00 0.00 C ATOM 1598 O GLU A 108 -7.243 9.421 9.784 1.00 0.00 O ATOM 1599 CB GLU A 108 -6.412 7.730 12.482 1.00 0.00 C ATOM 1600 CG GLU A 108 -6.894 6.470 13.226 1.00 0.00 C ATOM 1601 CD GLU A 108 -7.937 6.733 14.319 1.00 0.00 C ATOM 1602 OE1 GLU A 108 -7.768 7.716 15.077 1.00 0.00 O ATOM 1603 OE2 GLU A 108 -8.861 5.888 14.439 1.00 0.00 O ATOM 0 H GLU A 108 -4.760 6.345 11.413 1.00 0.00 H new ATOM 0 HA GLU A 108 -7.378 7.111 10.659 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -5.406 7.988 12.814 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -7.056 8.572 12.734 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -7.315 5.774 12.500 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -6.032 5.978 13.676 1.00 0.00 H new ATOM 1608 N GLU A 109 -5.011 9.298 9.984 1.00 0.00 N ATOM 1609 CA GLU A 109 -4.675 10.564 9.328 1.00 0.00 C ATOM 1610 C GLU A 109 -4.730 10.474 7.789 1.00 0.00 C ATOM 1611 O GLU A 109 -4.646 11.498 7.102 1.00 0.00 O ATOM 1612 CB GLU A 109 -3.256 10.962 9.790 1.00 0.00 C ATOM 1613 CG GLU A 109 -3.194 12.319 10.490 1.00 0.00 C ATOM 1614 CD GLU A 109 -3.382 13.457 9.494 1.00 0.00 C ATOM 1615 OE1 GLU A 109 -2.389 13.900 8.876 1.00 0.00 O ATOM 1616 OE2 GLU A 109 -4.519 13.953 9.344 1.00 0.00 O ATOM 0 H GLU A 109 -4.183 8.773 10.267 1.00 0.00 H new ATOM 0 HA GLU A 109 -5.413 11.315 9.611 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -2.876 10.197 10.467 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -2.594 10.979 8.925 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -3.966 12.372 11.258 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -2.234 12.428 10.995 1.00 0.00 H new ATOM 1621 N ALA A 110 -4.813 9.251 7.247 1.00 0.00 N ATOM 1622 CA ALA A 110 -4.940 8.963 5.822 1.00 0.00 C ATOM 1623 C ALA A 110 -6.382 9.187 5.388 1.00 0.00 C ATOM 1624 O ALA A 110 -6.809 10.357 5.329 1.00 0.00 O ATOM 1625 CB ALA A 110 -4.485 7.525 5.559 1.00 0.00 C ATOM 0 H ALA A 110 -4.792 8.405 7.817 1.00 0.00 H new ATOM 0 HA ALA A 110 -4.307 9.631 5.238 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -4.577 7.303 4.496 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -3.445 7.411 5.865 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -5.108 6.836 6.129 1.00 0.00 H new