USER MOD reduce.3.24.130724 H: found=0, std=0, add=528, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 529 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 29 TYR OH : rot -3:sc= -1.61! USER MOD Set 1.2: A 37 GLN :FLIP amide:sc= -1.82! C(o=-8.3!,f=-3.4!) USER MOD Set 2.1: A 8 ASN : amide:sc= -0.238 K(o=-5.1,f=-6.8!) USER MOD Set 2.2: A 19 GLN : amide:sc= -4.91! C(o=-5.1!,f=-8.5!) USER MOD Single : A 14 LYS NZ :NH3+ 157:sc= -2.2! (180deg=-2.94!) USER MOD Single : A 15 THR OG1 : rot -60:sc= 1.09 USER MOD Single : A 18 SER OG : rot -34:sc= 0.141 USER MOD Single : A 21 LYS NZ :NH3+ -170:sc= -1.21 (180deg=-1.77) USER MOD Single : A 25 TYR OH : rot 150:sc= 0.379 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -104:sc= 0.628 (180deg=-1.91!) USER MOD Single : A 32 SER OG : rot -41:sc= 0.992 USER MOD Single : A 40 TYR OH : rot 107:sc= 1.35 USER MOD Single : A 41 SER OG : rot -124:sc= 0.00284 USER MOD Single : A 43 LYS NZ :NH3+ -128:sc= 0.0444 (180deg=0) USER MOD Single : A 47 THR OG1 : rot -160:sc= -1.25 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot -160:sc=-0.00882 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD ----------------------------------------------------------------- ATOM 62 N ARG A 6 13.027 -4.130 11.329 1.00 0.00 N ATOM 63 CA ARG A 6 12.825 -3.088 12.385 1.00 0.00 C ATOM 64 C ARG A 6 12.110 -1.880 11.776 1.00 0.00 C ATOM 65 O ARG A 6 12.208 -1.620 10.593 1.00 0.00 O ATOM 66 CB ARG A 6 14.188 -2.637 12.934 1.00 0.00 C ATOM 67 CG ARG A 6 13.997 -1.838 14.263 1.00 0.00 C ATOM 68 CD ARG A 6 14.421 -2.655 15.517 1.00 0.00 C ATOM 69 NE ARG A 6 15.619 -2.032 16.177 1.00 0.00 N ATOM 70 CZ ARG A 6 16.682 -1.681 15.496 1.00 0.00 C ATOM 71 NH1 ARG A 6 16.765 -1.930 14.220 1.00 0.00 N ATOM 72 NH2 ARG A 6 17.677 -1.097 16.106 1.00 0.00 N ATOM 0 HA ARG A 6 12.225 -3.507 13.193 1.00 0.00 H new ATOM 0 HB2 ARG A 6 14.822 -3.506 13.111 1.00 0.00 H new ATOM 0 HB3 ARG A 6 14.697 -2.015 12.197 1.00 0.00 H new ATOM 0 HG2 ARG A 6 14.582 -0.919 14.218 1.00 0.00 H new ATOM 0 HG3 ARG A 6 12.951 -1.546 14.360 1.00 0.00 H new ATOM 0 HD2 ARG A 6 13.593 -2.701 16.224 1.00 0.00 H new ATOM 0 HD3 ARG A 6 14.651 -3.681 15.228 1.00 0.00 H new ATOM 0 HE ARG A 6 15.604 -1.878 17.185 1.00 0.00 H new ATOM 0 HH11 ARG A 6 15.998 -2.402 13.742 1.00 0.00 H new ATOM 0 HH12 ARG A 6 17.597 -1.652 13.699 1.00 0.00 H new ATOM 0 HH21 ARG A 6 17.625 -0.916 17.108 1.00 0.00 H new ATOM 0 HH22 ARG A 6 18.507 -0.822 15.580 1.00 0.00 H new ATOM 86 N ASP A 7 11.395 -1.138 12.576 1.00 0.00 N ATOM 87 CA ASP A 7 10.679 0.057 12.045 1.00 0.00 C ATOM 88 C ASP A 7 11.650 1.234 11.965 1.00 0.00 C ATOM 89 O ASP A 7 12.841 1.085 12.154 1.00 0.00 O ATOM 90 CB ASP A 7 9.522 0.411 12.979 1.00 0.00 C ATOM 91 CG ASP A 7 10.054 0.591 14.401 1.00 0.00 C ATOM 92 OD1 ASP A 7 11.121 0.071 14.685 1.00 0.00 O ATOM 93 OD2 ASP A 7 9.385 1.245 15.184 1.00 0.00 O ATOM 0 H ASP A 7 11.275 -1.307 13.575 1.00 0.00 H new ATOM 0 HA ASP A 7 10.289 -0.161 11.051 1.00 0.00 H new ATOM 0 HB2 ASP A 7 9.035 1.326 12.642 1.00 0.00 H new ATOM 0 HB3 ASP A 7 8.769 -0.377 12.958 1.00 0.00 H new ATOM 98 N ASN A 8 11.152 2.408 11.686 1.00 0.00 N ATOM 99 CA ASN A 8 12.047 3.598 11.592 1.00 0.00 C ATOM 100 C ASN A 8 12.250 4.198 12.986 1.00 0.00 C ATOM 101 O ASN A 8 12.704 5.316 13.124 1.00 0.00 O ATOM 102 CB ASN A 8 11.408 4.644 10.676 1.00 0.00 C ATOM 103 CG ASN A 8 9.933 4.810 11.042 1.00 0.00 C ATOM 104 OD1 ASN A 8 9.101 4.023 10.636 1.00 0.00 O ATOM 105 ND2 ASN A 8 9.569 5.809 11.800 1.00 0.00 N ATOM 0 H ASN A 8 10.163 2.595 11.519 1.00 0.00 H new ATOM 0 HA ASN A 8 13.011 3.295 11.184 1.00 0.00 H new ATOM 0 HB2 ASN A 8 11.928 5.597 10.776 1.00 0.00 H new ATOM 0 HB3 ASN A 8 11.503 4.337 9.634 1.00 0.00 H new ATOM 0 HD21 ASN A 8 8.587 5.928 12.051 1.00 0.00 H new ATOM 0 HD22 ASN A 8 10.266 6.470 12.142 1.00 0.00 H new ATOM 112 N ARG A 9 11.915 3.461 14.019 1.00 0.00 N ATOM 113 CA ARG A 9 12.083 3.977 15.417 1.00 0.00 C ATOM 114 C ARG A 9 12.868 2.957 16.246 1.00 0.00 C ATOM 115 O ARG A 9 14.078 3.023 16.339 1.00 0.00 O ATOM 116 CB ARG A 9 10.703 4.200 16.053 1.00 0.00 C ATOM 117 CG ARG A 9 9.886 5.211 15.223 1.00 0.00 C ATOM 118 CD ARG A 9 10.213 6.646 15.656 1.00 0.00 C ATOM 119 NE ARG A 9 9.729 7.596 14.615 1.00 0.00 N ATOM 120 CZ ARG A 9 9.633 8.869 14.885 1.00 0.00 C ATOM 121 NH1 ARG A 9 9.960 9.314 16.067 1.00 0.00 N ATOM 122 NH2 ARG A 9 9.208 9.700 13.970 1.00 0.00 N ATOM 0 H ARG A 9 11.530 2.519 13.954 1.00 0.00 H new ATOM 0 HA ARG A 9 12.627 4.921 15.391 1.00 0.00 H new ATOM 0 HB2 ARG A 9 10.167 3.253 16.115 1.00 0.00 H new ATOM 0 HB3 ARG A 9 10.820 4.567 17.073 1.00 0.00 H new ATOM 0 HG2 ARG A 9 10.108 5.085 14.163 1.00 0.00 H new ATOM 0 HG3 ARG A 9 8.821 5.020 15.351 1.00 0.00 H new ATOM 0 HD2 ARG A 9 9.741 6.866 16.613 1.00 0.00 H new ATOM 0 HD3 ARG A 9 11.288 6.760 15.797 1.00 0.00 H new ATOM 0 HE ARG A 9 9.472 7.251 13.690 1.00 0.00 H new ATOM 0 HH11 ARG A 9 10.291 8.666 16.782 1.00 0.00 H new ATOM 0 HH12 ARG A 9 9.884 10.309 16.276 1.00 0.00 H new ATOM 0 HH21 ARG A 9 8.952 9.353 13.046 1.00 0.00 H new ATOM 0 HH22 ARG A 9 9.133 10.695 14.180 1.00 0.00 H new ATOM 136 N GLY A 10 12.198 2.014 16.854 1.00 0.00 N ATOM 137 CA GLY A 10 12.924 1.002 17.677 1.00 0.00 C ATOM 138 C GLY A 10 12.053 -0.238 17.903 1.00 0.00 C ATOM 139 O GLY A 10 12.483 -1.199 18.509 1.00 0.00 O ATOM 0 H GLY A 10 11.185 1.901 16.817 1.00 0.00 H new ATOM 0 HA2 GLY A 10 13.850 0.716 17.178 1.00 0.00 H new ATOM 0 HA3 GLY A 10 13.201 1.438 18.637 1.00 0.00 H new ATOM 143 N ARG A 11 10.839 -0.240 17.419 1.00 0.00 N ATOM 144 CA ARG A 11 9.971 -1.433 17.611 1.00 0.00 C ATOM 145 C ARG A 11 10.351 -2.476 16.561 1.00 0.00 C ATOM 146 O ARG A 11 11.342 -2.334 15.877 1.00 0.00 O ATOM 147 CB ARG A 11 8.496 -1.037 17.436 1.00 0.00 C ATOM 148 CG ARG A 11 7.962 -0.351 18.710 1.00 0.00 C ATOM 149 CD ARG A 11 8.342 1.132 18.704 1.00 0.00 C ATOM 150 NE ARG A 11 7.749 1.786 17.506 1.00 0.00 N ATOM 151 CZ ARG A 11 7.672 3.088 17.442 1.00 0.00 C ATOM 152 NH1 ARG A 11 8.125 3.818 18.425 1.00 0.00 N ATOM 153 NH2 ARG A 11 7.142 3.659 16.395 1.00 0.00 N ATOM 0 H ARG A 11 10.415 0.530 16.902 1.00 0.00 H new ATOM 0 HA ARG A 11 10.108 -1.839 18.613 1.00 0.00 H new ATOM 0 HB2 ARG A 11 8.393 -0.365 16.584 1.00 0.00 H new ATOM 0 HB3 ARG A 11 7.900 -1.923 17.217 1.00 0.00 H new ATOM 0 HG2 ARG A 11 6.878 -0.457 18.763 1.00 0.00 H new ATOM 0 HG3 ARG A 11 8.374 -0.837 19.595 1.00 0.00 H new ATOM 0 HD2 ARG A 11 7.982 1.615 19.612 1.00 0.00 H new ATOM 0 HD3 ARG A 11 9.426 1.241 18.693 1.00 0.00 H new ATOM 0 HE ARG A 11 7.402 1.217 16.734 1.00 0.00 H new ATOM 0 HH11 ARG A 11 8.539 3.371 19.243 1.00 0.00 H new ATOM 0 HH12 ARG A 11 8.065 4.835 18.375 1.00 0.00 H new ATOM 0 HH21 ARG A 11 6.788 3.088 15.627 1.00 0.00 H new ATOM 0 HH22 ARG A 11 7.082 4.676 16.345 1.00 0.00 H new ATOM 167 N ILE A 12 9.579 -3.523 16.430 1.00 0.00 N ATOM 168 CA ILE A 12 9.900 -4.588 15.425 1.00 0.00 C ATOM 169 C ILE A 12 8.656 -4.879 14.578 1.00 0.00 C ATOM 170 O ILE A 12 7.580 -5.106 15.096 1.00 0.00 O ATOM 171 CB ILE A 12 10.326 -5.865 16.173 1.00 0.00 C ATOM 172 CG1 ILE A 12 11.717 -5.663 16.822 1.00 0.00 C ATOM 173 CG2 ILE A 12 10.354 -7.061 15.211 1.00 0.00 C ATOM 174 CD1 ILE A 12 12.852 -5.971 15.827 1.00 0.00 C ATOM 0 H ILE A 12 8.735 -3.690 16.977 1.00 0.00 H new ATOM 0 HA ILE A 12 10.708 -4.255 14.774 1.00 0.00 H new ATOM 0 HB ILE A 12 9.600 -6.070 16.960 1.00 0.00 H new ATOM 0 HG12 ILE A 12 11.810 -4.636 17.175 1.00 0.00 H new ATOM 0 HG13 ILE A 12 11.810 -6.310 17.694 1.00 0.00 H new ATOM 0 HG21 ILE A 12 10.657 -7.957 15.753 1.00 0.00 H new ATOM 0 HG22 ILE A 12 9.361 -7.211 14.788 1.00 0.00 H new ATOM 0 HG23 ILE A 12 11.065 -6.865 14.408 1.00 0.00 H new ATOM 0 HD11 ILE A 12 13.815 -5.819 16.315 1.00 0.00 H new ATOM 0 HD12 ILE A 12 12.773 -7.006 15.494 1.00 0.00 H new ATOM 0 HD13 ILE A 12 12.772 -5.306 14.967 1.00 0.00 H new ATOM 186 N LEU A 13 8.800 -4.883 13.280 1.00 0.00 N ATOM 187 CA LEU A 13 7.635 -5.169 12.392 1.00 0.00 C ATOM 188 C LEU A 13 7.562 -6.674 12.122 1.00 0.00 C ATOM 189 O LEU A 13 8.569 -7.329 11.945 1.00 0.00 O ATOM 190 CB LEU A 13 7.817 -4.428 11.061 1.00 0.00 C ATOM 191 CG LEU A 13 7.809 -2.900 11.292 1.00 0.00 C ATOM 192 CD1 LEU A 13 8.618 -2.203 10.191 1.00 0.00 C ATOM 193 CD2 LEU A 13 6.368 -2.372 11.262 1.00 0.00 C ATOM 0 H LEU A 13 9.678 -4.700 12.794 1.00 0.00 H new ATOM 0 HA LEU A 13 6.717 -4.836 12.876 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.756 -4.727 10.596 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.018 -4.703 10.372 1.00 0.00 H new ATOM 0 HG LEU A 13 8.254 -2.691 12.265 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.609 -1.126 10.359 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.646 -2.565 10.211 1.00 0.00 H new ATOM 0 HD13 LEU A 13 8.175 -2.422 9.220 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.372 -1.294 11.426 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.921 -2.590 10.292 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.787 -2.856 12.047 1.00 0.00 H new ATOM 205 N LYS A 14 6.379 -7.229 12.083 1.00 0.00 N ATOM 206 CA LYS A 14 6.247 -8.695 11.818 1.00 0.00 C ATOM 207 C LYS A 14 6.146 -8.914 10.299 1.00 0.00 C ATOM 208 O LYS A 14 6.102 -7.972 9.534 1.00 0.00 O ATOM 209 CB LYS A 14 4.978 -9.218 12.525 1.00 0.00 C ATOM 210 CG LYS A 14 5.143 -10.701 12.930 1.00 0.00 C ATOM 211 CD LYS A 14 5.977 -10.858 14.221 1.00 0.00 C ATOM 212 CE LYS A 14 5.329 -10.099 15.391 1.00 0.00 C ATOM 213 NZ LYS A 14 3.855 -10.017 15.184 1.00 0.00 N ATOM 0 H LYS A 14 5.499 -6.733 12.223 1.00 0.00 H new ATOM 0 HA LYS A 14 7.113 -9.236 12.200 1.00 0.00 H new ATOM 0 HB2 LYS A 14 4.776 -8.615 13.411 1.00 0.00 H new ATOM 0 HB3 LYS A 14 4.118 -9.111 11.864 1.00 0.00 H new ATOM 0 HG2 LYS A 14 4.160 -11.148 13.077 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.624 -11.247 12.119 1.00 0.00 H new ATOM 0 HD2 LYS A 14 6.067 -11.914 14.474 1.00 0.00 H new ATOM 0 HD3 LYS A 14 6.987 -10.483 14.054 1.00 0.00 H new ATOM 0 HE2 LYS A 14 5.546 -10.607 16.331 1.00 0.00 H new ATOM 0 HE3 LYS A 14 5.752 -9.097 15.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 3.383 -9.872 16.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 3.637 -9.220 14.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 3.515 -10.901 14.755 1.00 0.00 H new ATOM 227 N THR A 15 6.112 -10.145 9.857 1.00 0.00 N ATOM 228 CA THR A 15 6.016 -10.410 8.391 1.00 0.00 C ATOM 229 C THR A 15 4.648 -9.951 7.883 1.00 0.00 C ATOM 230 O THR A 15 3.892 -10.717 7.321 1.00 0.00 O ATOM 231 CB THR A 15 6.189 -11.910 8.129 1.00 0.00 C ATOM 232 OG1 THR A 15 5.869 -12.206 6.774 1.00 0.00 O ATOM 233 CG2 THR A 15 5.265 -12.703 9.055 1.00 0.00 C ATOM 0 H THR A 15 6.147 -10.976 10.447 1.00 0.00 H new ATOM 0 HA THR A 15 6.800 -9.862 7.868 1.00 0.00 H new ATOM 0 HB THR A 15 7.225 -12.188 8.322 1.00 0.00 H new ATOM 0 HG1 THR A 15 4.940 -11.950 6.594 1.00 0.00 H new ATOM 0 HG21 THR A 15 5.390 -13.769 8.867 1.00 0.00 H new ATOM 0 HG22 THR A 15 5.516 -12.486 10.093 1.00 0.00 H new ATOM 0 HG23 THR A 15 4.230 -12.420 8.866 1.00 0.00 H new ATOM 241 N GLY A 16 4.327 -8.704 8.080 1.00 0.00 N ATOM 242 CA GLY A 16 3.011 -8.189 7.615 1.00 0.00 C ATOM 243 C GLY A 16 2.999 -6.664 7.726 1.00 0.00 C ATOM 244 O GLY A 16 2.403 -5.977 6.920 1.00 0.00 O ATOM 0 H GLY A 16 4.921 -8.017 8.544 1.00 0.00 H new ATOM 0 HA2 GLY A 16 2.833 -8.492 6.583 1.00 0.00 H new ATOM 0 HA3 GLY A 16 2.208 -8.615 8.216 1.00 0.00 H new ATOM 248 N GLU A 17 3.648 -6.130 8.728 1.00 0.00 N ATOM 249 CA GLU A 17 3.673 -4.648 8.910 1.00 0.00 C ATOM 250 C GLU A 17 4.876 -4.049 8.180 1.00 0.00 C ATOM 251 O GLU A 17 5.901 -4.681 8.019 1.00 0.00 O ATOM 252 CB GLU A 17 3.776 -4.325 10.401 1.00 0.00 C ATOM 253 CG GLU A 17 2.532 -4.848 11.122 1.00 0.00 C ATOM 254 CD GLU A 17 2.752 -4.783 12.634 1.00 0.00 C ATOM 255 OE1 GLU A 17 3.327 -3.807 13.087 1.00 0.00 O ATOM 256 OE2 GLU A 17 2.344 -5.710 13.312 1.00 0.00 O ATOM 0 H GLU A 17 4.164 -6.659 9.431 1.00 0.00 H new ATOM 0 HA GLU A 17 2.758 -4.222 8.499 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.672 -4.781 10.822 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.868 -3.249 10.546 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.661 -4.254 10.845 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.327 -5.874 10.818 1.00 0.00 H new ATOM 263 N SER A 18 4.752 -2.826 7.740 1.00 0.00 N ATOM 264 CA SER A 18 5.877 -2.164 7.020 1.00 0.00 C ATOM 265 C SER A 18 5.579 -0.668 6.916 1.00 0.00 C ATOM 266 O SER A 18 4.846 -0.119 7.714 1.00 0.00 O ATOM 267 CB SER A 18 6.010 -2.760 5.619 1.00 0.00 C ATOM 268 OG SER A 18 5.952 -4.178 5.704 1.00 0.00 O ATOM 0 H SER A 18 3.915 -2.254 7.849 1.00 0.00 H new ATOM 0 HA SER A 18 6.809 -2.320 7.562 1.00 0.00 H new ATOM 0 HB2 SER A 18 5.211 -2.390 4.977 1.00 0.00 H new ATOM 0 HB3 SER A 18 6.952 -2.450 5.167 1.00 0.00 H new ATOM 0 HG SER A 18 6.378 -4.474 6.535 1.00 0.00 H new ATOM 274 N GLN A 19 6.129 0.000 5.939 1.00 0.00 N ATOM 275 CA GLN A 19 5.854 1.462 5.797 1.00 0.00 C ATOM 276 C GLN A 19 6.055 1.896 4.342 1.00 0.00 C ATOM 277 O GLN A 19 6.779 1.277 3.588 1.00 0.00 O ATOM 278 CB GLN A 19 6.794 2.264 6.705 1.00 0.00 C ATOM 279 CG GLN A 19 8.251 1.831 6.480 1.00 0.00 C ATOM 280 CD GLN A 19 8.564 0.583 7.313 1.00 0.00 C ATOM 281 OE1 GLN A 19 8.359 -0.528 6.867 1.00 0.00 O ATOM 282 NE2 GLN A 19 9.058 0.726 8.512 1.00 0.00 N ATOM 0 H GLN A 19 6.753 -0.398 5.237 1.00 0.00 H new ATOM 0 HA GLN A 19 4.821 1.653 6.089 1.00 0.00 H new ATOM 0 HB2 GLN A 19 6.688 3.329 6.499 1.00 0.00 H new ATOM 0 HB3 GLN A 19 6.519 2.112 7.749 1.00 0.00 H new ATOM 0 HG2 GLN A 19 8.418 1.624 5.423 1.00 0.00 H new ATOM 0 HG3 GLN A 19 8.926 2.641 6.756 1.00 0.00 H new ATOM 0 HE21 GLN A 19 9.230 1.660 8.885 1.00 0.00 H new ATOM 0 HE22 GLN A 19 9.273 -0.096 9.076 1.00 0.00 H new ATOM 291 N ARG A 20 5.411 2.964 3.946 1.00 0.00 N ATOM 292 CA ARG A 20 5.543 3.460 2.543 1.00 0.00 C ATOM 293 C ARG A 20 6.692 4.468 2.458 1.00 0.00 C ATOM 294 O ARG A 20 7.533 4.545 3.331 1.00 0.00 O ATOM 295 CB ARG A 20 4.240 4.161 2.133 1.00 0.00 C ATOM 296 CG ARG A 20 3.095 3.134 1.983 1.00 0.00 C ATOM 297 CD ARG A 20 3.016 2.590 0.545 1.00 0.00 C ATOM 298 NE ARG A 20 4.040 1.523 0.359 1.00 0.00 N ATOM 299 CZ ARG A 20 3.978 0.736 -0.678 1.00 0.00 C ATOM 300 NH1 ARG A 20 3.035 0.898 -1.565 1.00 0.00 N ATOM 301 NH2 ARG A 20 4.862 -0.212 -0.831 1.00 0.00 N ATOM 0 H ARG A 20 4.794 3.518 4.540 1.00 0.00 H new ATOM 0 HA ARG A 20 5.743 2.618 1.880 1.00 0.00 H new ATOM 0 HB2 ARG A 20 3.971 4.907 2.881 1.00 0.00 H new ATOM 0 HB3 ARG A 20 4.386 4.691 1.192 1.00 0.00 H new ATOM 0 HG2 ARG A 20 3.250 2.309 2.678 1.00 0.00 H new ATOM 0 HG3 ARG A 20 2.147 3.601 2.250 1.00 0.00 H new ATOM 0 HD2 ARG A 20 2.021 2.191 0.350 1.00 0.00 H new ATOM 0 HD3 ARG A 20 3.182 3.396 -0.170 1.00 0.00 H new ATOM 0 HE ARG A 20 4.788 1.409 1.043 1.00 0.00 H new ATOM 0 HH11 ARG A 20 2.346 1.641 -1.447 1.00 0.00 H new ATOM 0 HH12 ARG A 20 2.987 0.282 -2.376 1.00 0.00 H new ATOM 0 HH21 ARG A 20 5.601 -0.337 -0.139 1.00 0.00 H new ATOM 0 HH22 ARG A 20 4.814 -0.828 -1.642 1.00 0.00 H new ATOM 315 N LYS A 21 6.724 5.242 1.409 1.00 0.00 N ATOM 316 CA LYS A 21 7.804 6.253 1.249 1.00 0.00 C ATOM 317 C LYS A 21 7.534 7.449 2.167 1.00 0.00 C ATOM 318 O LYS A 21 8.424 8.210 2.491 1.00 0.00 O ATOM 319 CB LYS A 21 7.823 6.728 -0.205 1.00 0.00 C ATOM 320 CG LYS A 21 7.727 5.515 -1.144 1.00 0.00 C ATOM 321 CD LYS A 21 8.000 5.938 -2.606 1.00 0.00 C ATOM 322 CE LYS A 21 9.488 5.773 -2.939 1.00 0.00 C ATOM 323 NZ LYS A 21 10.311 6.628 -2.040 1.00 0.00 N ATOM 0 H LYS A 21 6.043 5.216 0.650 1.00 0.00 H new ATOM 0 HA LYS A 21 8.764 5.809 1.512 1.00 0.00 H new ATOM 0 HB2 LYS A 21 6.991 7.408 -0.387 1.00 0.00 H new ATOM 0 HB3 LYS A 21 8.739 7.284 -0.405 1.00 0.00 H new ATOM 0 HG2 LYS A 21 8.446 4.754 -0.839 1.00 0.00 H new ATOM 0 HG3 LYS A 21 6.736 5.067 -1.068 1.00 0.00 H new ATOM 0 HD2 LYS A 21 7.399 5.333 -3.285 1.00 0.00 H new ATOM 0 HD3 LYS A 21 7.700 6.976 -2.754 1.00 0.00 H new ATOM 0 HE2 LYS A 21 9.780 4.729 -2.828 1.00 0.00 H new ATOM 0 HE3 LYS A 21 9.668 6.046 -3.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 11.294 6.642 -2.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 9.931 7.596 -2.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 10.283 6.244 -1.074 1.00 0.00 H new ATOM 337 N ASP A 22 6.308 7.626 2.579 1.00 0.00 N ATOM 338 CA ASP A 22 5.976 8.780 3.466 1.00 0.00 C ATOM 339 C ASP A 22 6.343 8.447 4.914 1.00 0.00 C ATOM 340 O ASP A 22 6.183 9.256 5.806 1.00 0.00 O ATOM 341 CB ASP A 22 4.477 9.072 3.377 1.00 0.00 C ATOM 342 CG ASP A 22 4.048 9.118 1.910 1.00 0.00 C ATOM 343 OD1 ASP A 22 3.691 8.076 1.384 1.00 0.00 O ATOM 344 OD2 ASP A 22 4.083 10.194 1.335 1.00 0.00 O ATOM 0 H ASP A 22 5.521 7.022 2.340 1.00 0.00 H new ATOM 0 HA ASP A 22 6.542 9.654 3.145 1.00 0.00 H new ATOM 0 HB2 ASP A 22 3.915 8.303 3.907 1.00 0.00 H new ATOM 0 HB3 ASP A 22 4.252 10.022 3.862 1.00 0.00 H new ATOM 349 N GLY A 23 6.835 7.263 5.157 1.00 0.00 N ATOM 350 CA GLY A 23 7.215 6.880 6.548 1.00 0.00 C ATOM 351 C GLY A 23 5.985 6.354 7.289 1.00 0.00 C ATOM 352 O GLY A 23 6.087 5.815 8.373 1.00 0.00 O ATOM 0 H GLY A 23 6.991 6.543 4.452 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.993 6.117 6.526 1.00 0.00 H new ATOM 0 HA3 GLY A 23 7.628 7.741 7.073 1.00 0.00 H new ATOM 356 N ARG A 24 4.822 6.502 6.715 1.00 0.00 N ATOM 357 CA ARG A 24 3.595 6.003 7.395 1.00 0.00 C ATOM 358 C ARG A 24 3.651 4.475 7.440 1.00 0.00 C ATOM 359 O ARG A 24 4.336 3.856 6.655 1.00 0.00 O ATOM 360 CB ARG A 24 2.350 6.480 6.623 1.00 0.00 C ATOM 361 CG ARG A 24 2.075 5.576 5.401 1.00 0.00 C ATOM 362 CD ARG A 24 1.298 6.353 4.311 1.00 0.00 C ATOM 363 NE ARG A 24 0.646 7.559 4.896 1.00 0.00 N ATOM 364 CZ ARG A 24 0.262 8.535 4.119 1.00 0.00 C ATOM 365 NH1 ARG A 24 0.422 8.445 2.827 1.00 0.00 N ATOM 366 NH2 ARG A 24 -0.281 9.602 4.636 1.00 0.00 N ATOM 0 H ARG A 24 4.670 6.945 5.809 1.00 0.00 H new ATOM 0 HA ARG A 24 3.537 6.391 8.412 1.00 0.00 H new ATOM 0 HB2 ARG A 24 1.484 6.476 7.285 1.00 0.00 H new ATOM 0 HB3 ARG A 24 2.494 7.509 6.293 1.00 0.00 H new ATOM 0 HG2 ARG A 24 3.017 5.211 4.993 1.00 0.00 H new ATOM 0 HG3 ARG A 24 1.502 4.702 5.710 1.00 0.00 H new ATOM 0 HD2 ARG A 24 1.978 6.651 3.513 1.00 0.00 H new ATOM 0 HD3 ARG A 24 0.544 5.706 3.862 1.00 0.00 H new ATOM 0 HE ARG A 24 0.500 7.622 5.904 1.00 0.00 H new ATOM 0 HH11 ARG A 24 0.848 7.611 2.423 1.00 0.00 H new ATOM 0 HH12 ARG A 24 0.121 9.209 2.221 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -0.405 9.673 5.646 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -0.582 10.366 4.030 1.00 0.00 H new ATOM 380 N TYR A 25 2.950 3.860 8.352 1.00 0.00 N ATOM 381 CA TYR A 25 2.989 2.372 8.429 1.00 0.00 C ATOM 382 C TYR A 25 2.067 1.771 7.368 1.00 0.00 C ATOM 383 O TYR A 25 1.101 2.380 6.947 1.00 0.00 O ATOM 384 CB TYR A 25 2.546 1.911 9.820 1.00 0.00 C ATOM 385 CG TYR A 25 3.631 2.237 10.822 1.00 0.00 C ATOM 386 CD1 TYR A 25 4.873 1.593 10.741 1.00 0.00 C ATOM 387 CD2 TYR A 25 3.400 3.182 11.830 1.00 0.00 C ATOM 388 CE1 TYR A 25 5.881 1.894 11.664 1.00 0.00 C ATOM 389 CE2 TYR A 25 4.408 3.484 12.753 1.00 0.00 C ATOM 390 CZ TYR A 25 5.649 2.840 12.669 1.00 0.00 C ATOM 391 OH TYR A 25 6.643 3.135 13.580 1.00 0.00 O ATOM 0 H TYR A 25 2.356 4.319 9.043 1.00 0.00 H new ATOM 0 HA TYR A 25 4.009 2.034 8.248 1.00 0.00 H new ATOM 0 HB2 TYR A 25 1.615 2.405 10.100 1.00 0.00 H new ATOM 0 HB3 TYR A 25 2.349 0.839 9.815 1.00 0.00 H new ATOM 0 HD1 TYR A 25 5.053 0.863 9.965 1.00 0.00 H new ATOM 0 HD2 TYR A 25 2.443 3.678 11.895 1.00 0.00 H new ATOM 0 HE1 TYR A 25 6.837 1.396 11.601 1.00 0.00 H new ATOM 0 HE2 TYR A 25 4.229 4.213 13.529 1.00 0.00 H new ATOM 0 HH TYR A 25 6.549 4.064 13.878 1.00 0.00 H new ATOM 401 N LEU A 26 2.367 0.572 6.936 1.00 0.00 N ATOM 402 CA LEU A 26 1.536 -0.104 5.896 1.00 0.00 C ATOM 403 C LEU A 26 1.442 -1.591 6.237 1.00 0.00 C ATOM 404 O LEU A 26 2.424 -2.307 6.211 1.00 0.00 O ATOM 405 CB LEU A 26 2.205 0.091 4.517 1.00 0.00 C ATOM 406 CG LEU A 26 1.741 -0.974 3.501 1.00 0.00 C ATOM 407 CD1 LEU A 26 0.213 -0.975 3.398 1.00 0.00 C ATOM 408 CD2 LEU A 26 2.335 -0.650 2.128 1.00 0.00 C ATOM 0 H LEU A 26 3.164 0.026 7.265 1.00 0.00 H new ATOM 0 HA LEU A 26 0.533 0.322 5.867 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.969 1.085 4.136 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.288 0.041 4.628 1.00 0.00 H new ATOM 0 HG LEU A 26 2.078 -1.956 3.834 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.103 -1.730 2.678 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.217 -1.201 4.374 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.130 0.006 3.069 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.011 -1.399 1.405 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.995 0.335 1.807 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.423 -0.655 2.192 1.00 0.00 H new ATOM 420 N TYR A 27 0.258 -2.059 6.534 1.00 0.00 N ATOM 421 CA TYR A 27 0.065 -3.504 6.855 1.00 0.00 C ATOM 422 C TYR A 27 -0.664 -4.161 5.683 1.00 0.00 C ATOM 423 O TYR A 27 -1.846 -3.953 5.470 1.00 0.00 O ATOM 424 CB TYR A 27 -0.762 -3.631 8.134 1.00 0.00 C ATOM 425 CG TYR A 27 -1.227 -5.061 8.318 1.00 0.00 C ATOM 426 CD1 TYR A 27 -0.294 -6.064 8.595 1.00 0.00 C ATOM 427 CD2 TYR A 27 -2.587 -5.380 8.212 1.00 0.00 C ATOM 428 CE1 TYR A 27 -0.718 -7.388 8.767 1.00 0.00 C ATOM 429 CE2 TYR A 27 -3.011 -6.703 8.383 1.00 0.00 C ATOM 430 CZ TYR A 27 -2.077 -7.706 8.661 1.00 0.00 C ATOM 431 OH TYR A 27 -2.494 -9.011 8.832 1.00 0.00 O ATOM 0 H TYR A 27 -0.592 -1.496 6.568 1.00 0.00 H new ATOM 0 HA TYR A 27 1.025 -3.996 7.012 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -0.166 -3.321 8.993 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -1.623 -2.964 8.086 1.00 0.00 H new ATOM 0 HD1 TYR A 27 0.754 -5.818 8.676 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -3.308 -4.605 7.998 1.00 0.00 H new ATOM 0 HE1 TYR A 27 0.003 -8.163 8.981 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -4.059 -6.949 8.300 1.00 0.00 H new ATOM 0 HH TYR A 27 -3.467 -9.060 8.727 1.00 0.00 H new ATOM 441 N LYS A 28 0.046 -4.942 4.915 1.00 0.00 N ATOM 442 CA LYS A 28 -0.569 -5.628 3.742 1.00 0.00 C ATOM 443 C LYS A 28 -0.954 -7.055 4.153 1.00 0.00 C ATOM 444 O LYS A 28 -0.219 -7.724 4.851 1.00 0.00 O ATOM 445 CB LYS A 28 0.462 -5.658 2.589 1.00 0.00 C ATOM 446 CG LYS A 28 -0.228 -5.412 1.239 1.00 0.00 C ATOM 447 CD LYS A 28 0.715 -5.816 0.088 1.00 0.00 C ATOM 448 CE LYS A 28 0.342 -5.067 -1.206 1.00 0.00 C ATOM 449 NZ LYS A 28 1.216 -3.869 -1.344 1.00 0.00 N ATOM 0 H LYS A 28 1.038 -5.136 5.052 1.00 0.00 H new ATOM 0 HA LYS A 28 -1.462 -5.100 3.409 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.225 -4.898 2.757 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.970 -6.622 2.573 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.152 -5.987 1.183 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.500 -4.361 1.146 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.746 -5.592 0.360 1.00 0.00 H new ATOM 0 HD3 LYS A 28 0.655 -6.892 -0.078 1.00 0.00 H new ATOM 0 HE2 LYS A 28 0.463 -5.723 -2.068 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -0.706 -4.767 -1.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 0.676 -3.015 -1.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 2.033 -3.960 -0.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 1.550 -3.794 -2.326 1.00 0.00 H new ATOM 463 N TYR A 29 -2.090 -7.533 3.723 1.00 0.00 N ATOM 464 CA TYR A 29 -2.491 -8.922 4.094 1.00 0.00 C ATOM 465 C TYR A 29 -3.442 -9.486 3.036 1.00 0.00 C ATOM 466 O TYR A 29 -4.416 -8.865 2.658 1.00 0.00 O ATOM 467 CB TYR A 29 -3.160 -8.923 5.479 1.00 0.00 C ATOM 468 CG TYR A 29 -4.575 -8.401 5.390 1.00 0.00 C ATOM 469 CD1 TYR A 29 -4.831 -7.033 5.538 1.00 0.00 C ATOM 470 CD2 TYR A 29 -5.634 -9.291 5.167 1.00 0.00 C ATOM 471 CE1 TYR A 29 -6.143 -6.555 5.463 1.00 0.00 C ATOM 472 CE2 TYR A 29 -6.946 -8.813 5.094 1.00 0.00 C ATOM 473 CZ TYR A 29 -7.202 -7.446 5.240 1.00 0.00 C ATOM 474 OH TYR A 29 -8.496 -6.977 5.169 1.00 0.00 O ATOM 0 H TYR A 29 -2.753 -7.028 3.136 1.00 0.00 H new ATOM 0 HA TYR A 29 -1.604 -9.554 4.138 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -3.165 -9.935 5.885 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -2.582 -8.306 6.168 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -4.015 -6.347 5.710 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -5.437 -10.347 5.051 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -6.340 -5.499 5.577 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -7.762 -9.500 4.925 1.00 0.00 H new ATOM 0 HH TYR A 29 -8.504 -6.012 5.339 1.00 0.00 H new ATOM 484 N ILE A 30 -3.156 -10.663 2.556 1.00 0.00 N ATOM 485 CA ILE A 30 -4.023 -11.289 1.520 1.00 0.00 C ATOM 486 C ILE A 30 -5.396 -11.588 2.129 1.00 0.00 C ATOM 487 O ILE A 30 -5.515 -12.357 3.062 1.00 0.00 O ATOM 488 CB ILE A 30 -3.363 -12.592 1.042 1.00 0.00 C ATOM 489 CG1 ILE A 30 -1.851 -12.381 0.916 1.00 0.00 C ATOM 490 CG2 ILE A 30 -3.923 -13.012 -0.319 1.00 0.00 C ATOM 491 CD1 ILE A 30 -1.556 -11.155 0.050 1.00 0.00 C ATOM 0 H ILE A 30 -2.352 -11.223 2.839 1.00 0.00 H new ATOM 0 HA ILE A 30 -4.148 -10.615 0.673 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.574 -13.376 1.770 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -1.412 -12.250 1.905 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -1.389 -13.265 0.476 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -3.443 -13.937 -0.640 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -4.998 -13.171 -0.237 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -3.727 -12.228 -1.051 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -0.478 -11.017 -0.031 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -1.978 -11.302 -0.944 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -2.001 -10.271 0.507 1.00 0.00 H new ATOM 503 N ASP A 31 -6.432 -10.981 1.617 1.00 0.00 N ATOM 504 CA ASP A 31 -7.790 -11.229 2.181 1.00 0.00 C ATOM 505 C ASP A 31 -8.343 -12.546 1.632 1.00 0.00 C ATOM 506 O ASP A 31 -7.773 -13.151 0.746 1.00 0.00 O ATOM 507 CB ASP A 31 -8.722 -10.081 1.787 1.00 0.00 C ATOM 508 CG ASP A 31 -8.533 -9.755 0.304 1.00 0.00 C ATOM 509 OD1 ASP A 31 -8.042 -10.612 -0.413 1.00 0.00 O ATOM 510 OD2 ASP A 31 -8.882 -8.653 -0.089 1.00 0.00 O ATOM 0 H ASP A 31 -6.398 -10.326 0.835 1.00 0.00 H new ATOM 0 HA ASP A 31 -7.725 -11.290 3.267 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -9.758 -10.358 1.980 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -8.509 -9.201 2.394 1.00 0.00 H new ATOM 515 N SER A 32 -9.450 -12.995 2.160 1.00 0.00 N ATOM 516 CA SER A 32 -10.047 -14.275 1.683 1.00 0.00 C ATOM 517 C SER A 32 -10.531 -14.121 0.239 1.00 0.00 C ATOM 518 O SER A 32 -11.225 -14.970 -0.284 1.00 0.00 O ATOM 519 CB SER A 32 -11.231 -14.640 2.576 1.00 0.00 C ATOM 520 OG SER A 32 -11.772 -15.885 2.155 1.00 0.00 O ATOM 0 H SER A 32 -9.968 -12.528 2.904 1.00 0.00 H new ATOM 0 HA SER A 32 -9.293 -15.061 1.725 1.00 0.00 H new ATOM 0 HB2 SER A 32 -10.911 -14.703 3.616 1.00 0.00 H new ATOM 0 HB3 SER A 32 -11.994 -13.863 2.524 1.00 0.00 H new ATOM 0 HG SER A 32 -11.789 -15.920 1.176 1.00 0.00 H new ATOM 526 N PHE A 33 -10.170 -13.046 -0.412 1.00 0.00 N ATOM 527 CA PHE A 33 -10.604 -12.833 -1.823 1.00 0.00 C ATOM 528 C PHE A 33 -9.465 -13.247 -2.756 1.00 0.00 C ATOM 529 O PHE A 33 -9.683 -13.668 -3.874 1.00 0.00 O ATOM 530 CB PHE A 33 -10.918 -11.344 -2.023 1.00 0.00 C ATOM 531 CG PHE A 33 -12.320 -11.043 -1.544 1.00 0.00 C ATOM 532 CD1 PHE A 33 -12.553 -10.758 -0.193 1.00 0.00 C ATOM 533 CD2 PHE A 33 -13.387 -11.051 -2.451 1.00 0.00 C ATOM 534 CE1 PHE A 33 -13.851 -10.481 0.252 1.00 0.00 C ATOM 535 CE2 PHE A 33 -14.686 -10.773 -2.006 1.00 0.00 C ATOM 536 CZ PHE A 33 -14.917 -10.488 -0.654 1.00 0.00 C ATOM 0 H PHE A 33 -9.590 -12.303 -0.024 1.00 0.00 H new ATOM 0 HA PHE A 33 -11.491 -13.427 -2.043 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -10.199 -10.735 -1.475 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -10.820 -11.081 -3.076 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -11.730 -10.752 0.507 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -13.209 -11.271 -3.493 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -14.029 -10.262 1.294 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -15.509 -10.778 -2.705 1.00 0.00 H new ATOM 0 HZ PHE A 33 -15.918 -10.274 -0.311 1.00 0.00 H new ATOM 546 N GLY A 34 -8.250 -13.119 -2.298 1.00 0.00 N ATOM 547 CA GLY A 34 -7.072 -13.491 -3.139 1.00 0.00 C ATOM 548 C GLY A 34 -6.454 -12.219 -3.716 1.00 0.00 C ATOM 549 O GLY A 34 -5.893 -12.223 -4.793 1.00 0.00 O ATOM 0 H GLY A 34 -8.019 -12.769 -1.368 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -6.337 -14.029 -2.541 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -7.379 -14.159 -3.944 1.00 0.00 H new ATOM 553 N GLU A 35 -6.558 -11.125 -3.005 1.00 0.00 N ATOM 554 CA GLU A 35 -5.983 -9.837 -3.506 1.00 0.00 C ATOM 555 C GLU A 35 -5.439 -9.026 -2.309 1.00 0.00 C ATOM 556 O GLU A 35 -6.197 -8.640 -1.443 1.00 0.00 O ATOM 557 CB GLU A 35 -7.084 -9.029 -4.214 1.00 0.00 C ATOM 558 CG GLU A 35 -8.425 -9.303 -3.540 1.00 0.00 C ATOM 559 CD GLU A 35 -9.497 -8.391 -4.138 1.00 0.00 C ATOM 560 OE1 GLU A 35 -9.239 -7.204 -4.254 1.00 0.00 O ATOM 561 OE2 GLU A 35 -10.557 -8.894 -4.469 1.00 0.00 O ATOM 0 H GLU A 35 -7.018 -11.067 -2.096 1.00 0.00 H new ATOM 0 HA GLU A 35 -5.175 -10.042 -4.208 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.854 -7.964 -4.172 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -7.131 -9.303 -5.268 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -8.705 -10.348 -3.676 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -8.345 -9.132 -2.466 1.00 0.00 H new ATOM 568 N PRO A 36 -4.148 -8.759 -2.246 1.00 0.00 N ATOM 569 CA PRO A 36 -3.559 -7.978 -1.119 1.00 0.00 C ATOM 570 C PRO A 36 -4.420 -6.771 -0.728 1.00 0.00 C ATOM 571 O PRO A 36 -4.929 -6.061 -1.575 1.00 0.00 O ATOM 572 CB PRO A 36 -2.205 -7.527 -1.671 1.00 0.00 C ATOM 573 CG PRO A 36 -1.804 -8.611 -2.620 1.00 0.00 C ATOM 574 CD PRO A 36 -3.108 -9.160 -3.219 1.00 0.00 C ATOM 0 HA PRO A 36 -3.483 -8.570 -0.207 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -2.284 -6.565 -2.178 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -1.472 -7.407 -0.873 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -1.150 -8.223 -3.401 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -1.252 -9.396 -2.103 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -3.302 -8.739 -4.206 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -3.068 -10.243 -3.336 1.00 0.00 H new ATOM 582 N GLN A 37 -4.579 -6.534 0.551 1.00 0.00 N ATOM 583 CA GLN A 37 -5.400 -5.375 1.027 1.00 0.00 C ATOM 584 C GLN A 37 -4.485 -4.366 1.731 1.00 0.00 C ATOM 585 O GLN A 37 -3.543 -4.735 2.405 1.00 0.00 O ATOM 586 CB GLN A 37 -6.456 -5.886 2.007 1.00 0.00 C ATOM 587 CG GLN A 37 -7.461 -4.769 2.305 1.00 0.00 C ATOM 588 CD GLN A 37 -8.620 -5.327 3.131 1.00 0.00 C ATOM 589 OE1 GLN A 37 -8.913 -4.776 4.277 1.00 0.00 O flip ATOM 590 NE2 GLN A 37 -9.268 -6.274 2.730 1.00 0.00 N flip ATOM 0 H GLN A 37 -4.171 -7.100 1.295 1.00 0.00 H new ATOM 0 HA GLN A 37 -5.890 -4.890 0.183 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -6.971 -6.750 1.586 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -5.980 -6.217 2.930 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -6.971 -3.961 2.848 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -7.836 -4.346 1.373 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -9.040 -6.705 1.834 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -10.040 -6.637 3.289 1.00 0.00 H new ATOM 599 N PHE A 38 -4.741 -3.093 1.559 1.00 0.00 N ATOM 600 CA PHE A 38 -3.874 -2.044 2.191 1.00 0.00 C ATOM 601 C PHE A 38 -4.532 -1.464 3.458 1.00 0.00 C ATOM 602 O PHE A 38 -5.684 -1.080 3.457 1.00 0.00 O ATOM 603 CB PHE A 38 -3.681 -0.893 1.181 1.00 0.00 C ATOM 604 CG PHE A 38 -2.469 -1.124 0.305 1.00 0.00 C ATOM 605 CD1 PHE A 38 -2.526 -2.049 -0.740 1.00 0.00 C ATOM 606 CD2 PHE A 38 -1.301 -0.383 0.518 1.00 0.00 C ATOM 607 CE1 PHE A 38 -1.419 -2.230 -1.570 1.00 0.00 C ATOM 608 CE2 PHE A 38 -0.190 -0.572 -0.309 1.00 0.00 C ATOM 609 CZ PHE A 38 -0.250 -1.495 -1.355 1.00 0.00 C ATOM 0 H PHE A 38 -5.517 -2.731 1.005 1.00 0.00 H new ATOM 0 HA PHE A 38 -2.923 -2.501 2.465 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -4.570 -0.801 0.557 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -3.570 0.049 1.718 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -3.426 -2.623 -0.905 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -1.258 0.336 1.323 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -1.466 -2.941 -2.382 1.00 0.00 H new ATOM 0 HE2 PHE A 38 0.713 -0.005 -0.139 1.00 0.00 H new ATOM 0 HZ PHE A 38 0.606 -1.641 -1.997 1.00 0.00 H new ATOM 619 N VAL A 39 -3.768 -1.339 4.514 1.00 0.00 N ATOM 620 CA VAL A 39 -4.279 -0.714 5.776 1.00 0.00 C ATOM 621 C VAL A 39 -3.207 0.286 6.224 1.00 0.00 C ATOM 622 O VAL A 39 -2.070 -0.080 6.445 1.00 0.00 O ATOM 623 CB VAL A 39 -4.495 -1.782 6.852 1.00 0.00 C ATOM 624 CG1 VAL A 39 -5.267 -1.180 8.032 1.00 0.00 C ATOM 625 CG2 VAL A 39 -5.298 -2.943 6.262 1.00 0.00 C ATOM 0 H VAL A 39 -2.797 -1.648 4.557 1.00 0.00 H new ATOM 0 HA VAL A 39 -5.238 -0.221 5.613 1.00 0.00 H new ATOM 0 HB VAL A 39 -3.527 -2.143 7.200 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -5.418 -1.943 8.795 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -4.698 -0.352 8.455 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -6.234 -0.816 7.686 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -5.453 -3.704 7.027 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -6.264 -2.577 5.913 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -4.750 -3.376 5.425 1.00 0.00 H new ATOM 635 N TYR A 40 -3.539 1.556 6.303 1.00 0.00 N ATOM 636 CA TYR A 40 -2.508 2.585 6.671 1.00 0.00 C ATOM 637 C TYR A 40 -2.642 3.032 8.123 1.00 0.00 C ATOM 638 O TYR A 40 -3.660 2.852 8.761 1.00 0.00 O ATOM 639 CB TYR A 40 -2.691 3.816 5.783 1.00 0.00 C ATOM 640 CG TYR A 40 -2.498 3.436 4.339 1.00 0.00 C ATOM 641 CD1 TYR A 40 -1.206 3.324 3.817 1.00 0.00 C ATOM 642 CD2 TYR A 40 -3.608 3.201 3.521 1.00 0.00 C ATOM 643 CE1 TYR A 40 -1.025 2.977 2.473 1.00 0.00 C ATOM 644 CE2 TYR A 40 -3.425 2.856 2.178 1.00 0.00 C ATOM 645 CZ TYR A 40 -2.134 2.743 1.655 1.00 0.00 C ATOM 646 OH TYR A 40 -1.955 2.403 0.329 1.00 0.00 O ATOM 0 H TYR A 40 -4.475 1.924 6.130 1.00 0.00 H new ATOM 0 HA TYR A 40 -1.527 2.131 6.532 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -3.686 4.236 5.928 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -1.975 4.588 6.064 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -0.349 3.505 4.449 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -4.606 3.286 3.926 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -0.028 2.890 2.068 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -4.282 2.677 1.545 1.00 0.00 H new ATOM 0 HH TYR A 40 -2.155 1.452 0.205 1.00 0.00 H new ATOM 656 N SER A 41 -1.600 3.637 8.630 1.00 0.00 N ATOM 657 CA SER A 41 -1.608 4.142 10.033 1.00 0.00 C ATOM 658 C SER A 41 -0.280 4.849 10.307 1.00 0.00 C ATOM 659 O SER A 41 0.723 4.553 9.690 1.00 0.00 O ATOM 660 CB SER A 41 -1.768 2.976 11.010 1.00 0.00 C ATOM 661 OG SER A 41 -1.634 3.459 12.339 1.00 0.00 O ATOM 0 H SER A 41 -0.731 3.805 8.123 1.00 0.00 H new ATOM 0 HA SER A 41 -2.440 4.833 10.166 1.00 0.00 H new ATOM 0 HB2 SER A 41 -2.743 2.506 10.878 1.00 0.00 H new ATOM 0 HB3 SER A 41 -1.016 2.213 10.810 1.00 0.00 H new ATOM 0 HG SER A 41 -0.925 2.962 12.798 1.00 0.00 H new ATOM 667 N TRP A 42 -0.259 5.780 11.230 1.00 0.00 N ATOM 668 CA TRP A 42 1.010 6.506 11.551 1.00 0.00 C ATOM 669 C TRP A 42 1.525 6.016 12.905 1.00 0.00 C ATOM 670 O TRP A 42 2.712 6.006 13.167 1.00 0.00 O ATOM 671 CB TRP A 42 0.728 8.012 11.637 1.00 0.00 C ATOM 672 CG TRP A 42 0.619 8.596 10.262 1.00 0.00 C ATOM 673 CD1 TRP A 42 -0.542 8.917 9.645 1.00 0.00 C ATOM 674 CD2 TRP A 42 1.688 8.943 9.333 1.00 0.00 C ATOM 675 NE1 TRP A 42 -0.253 9.439 8.397 1.00 0.00 N ATOM 676 CE2 TRP A 42 1.106 9.475 8.158 1.00 0.00 C ATOM 677 CE3 TRP A 42 3.091 8.847 9.393 1.00 0.00 C ATOM 678 CZ2 TRP A 42 1.888 9.899 7.081 1.00 0.00 C ATOM 679 CZ3 TRP A 42 3.881 9.272 8.309 1.00 0.00 C ATOM 680 CH2 TRP A 42 3.281 9.798 7.157 1.00 0.00 C ATOM 0 H TRP A 42 -1.070 6.069 11.777 1.00 0.00 H new ATOM 0 HA TRP A 42 1.752 6.318 10.775 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -0.196 8.186 12.188 1.00 0.00 H new ATOM 0 HB3 TRP A 42 1.526 8.508 12.189 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -1.531 8.787 10.059 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -0.959 9.759 7.734 1.00 0.00 H new ATOM 0 HE3 TRP A 42 3.564 8.445 10.277 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 1.420 10.302 6.195 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 4.957 9.192 8.365 1.00 0.00 H new ATOM 0 HH2 TRP A 42 3.893 10.125 6.329 1.00 0.00 H new ATOM 691 N LYS A 43 0.632 5.621 13.772 1.00 0.00 N ATOM 692 CA LYS A 43 1.041 5.138 15.124 1.00 0.00 C ATOM 693 C LYS A 43 1.133 3.609 15.129 1.00 0.00 C ATOM 694 O LYS A 43 0.156 2.920 14.912 1.00 0.00 O ATOM 695 CB LYS A 43 -0.007 5.596 16.148 1.00 0.00 C ATOM 696 CG LYS A 43 -0.512 6.991 15.763 1.00 0.00 C ATOM 697 CD LYS A 43 -1.432 7.540 16.857 1.00 0.00 C ATOM 698 CE LYS A 43 -2.577 6.558 17.132 1.00 0.00 C ATOM 699 NZ LYS A 43 -3.711 7.287 17.768 1.00 0.00 N ATOM 0 H LYS A 43 -0.373 5.612 13.600 1.00 0.00 H new ATOM 0 HA LYS A 43 2.018 5.548 15.380 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.837 4.891 16.177 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.428 5.617 17.147 1.00 0.00 H new ATOM 0 HG2 LYS A 43 0.333 7.664 15.616 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -1.049 6.943 14.816 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.862 7.709 17.770 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.837 8.505 16.551 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.904 6.094 16.202 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -2.234 5.756 17.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -3.996 6.794 18.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -3.414 8.256 18.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -4.515 7.320 17.110 1.00 0.00 H new ATOM 713 N LEU A 44 2.293 3.071 15.391 1.00 0.00 N ATOM 714 CA LEU A 44 2.427 1.588 15.428 1.00 0.00 C ATOM 715 C LEU A 44 1.599 1.061 16.600 1.00 0.00 C ATOM 716 O LEU A 44 1.190 -0.079 16.622 1.00 0.00 O ATOM 717 CB LEU A 44 3.904 1.215 15.619 1.00 0.00 C ATOM 718 CG LEU A 44 4.054 -0.299 15.840 1.00 0.00 C ATOM 719 CD1 LEU A 44 3.395 -1.070 14.689 1.00 0.00 C ATOM 720 CD2 LEU A 44 5.545 -0.648 15.901 1.00 0.00 C ATOM 0 H LEU A 44 3.149 3.592 15.580 1.00 0.00 H new ATOM 0 HA LEU A 44 2.071 1.149 14.496 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.478 1.519 14.744 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.314 1.755 16.472 1.00 0.00 H new ATOM 0 HG LEU A 44 3.566 -0.577 16.774 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.508 -2.141 14.857 1.00 0.00 H new ATOM 0 HD12 LEU A 44 2.335 -0.820 14.643 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.873 -0.798 13.748 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.662 -1.720 16.058 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.024 -0.364 14.964 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.012 -0.108 16.725 1.00 0.00 H new ATOM 732 N VAL A 45 1.337 1.894 17.574 1.00 0.00 N ATOM 733 CA VAL A 45 0.522 1.453 18.746 1.00 0.00 C ATOM 734 C VAL A 45 -0.350 2.620 19.205 1.00 0.00 C ATOM 735 O VAL A 45 -0.086 3.766 18.897 1.00 0.00 O ATOM 736 CB VAL A 45 1.450 0.978 19.872 1.00 0.00 C ATOM 737 CG1 VAL A 45 2.598 0.166 19.269 1.00 0.00 C ATOM 738 CG2 VAL A 45 2.022 2.181 20.632 1.00 0.00 C ATOM 0 H VAL A 45 1.653 2.863 17.608 1.00 0.00 H new ATOM 0 HA VAL A 45 -0.122 0.619 18.468 1.00 0.00 H new ATOM 0 HB VAL A 45 0.881 0.360 20.566 1.00 0.00 H new ATOM 0 HG11 VAL A 45 3.261 -0.174 20.065 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.194 -0.697 18.739 1.00 0.00 H new ATOM 0 HG13 VAL A 45 3.158 0.790 18.572 1.00 0.00 H new ATOM 0 HG21 VAL A 45 2.679 1.830 21.428 1.00 0.00 H new ATOM 0 HG22 VAL A 45 2.589 2.809 19.945 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.206 2.760 21.064 1.00 0.00 H new ATOM 748 N ALA A 46 -1.410 2.333 19.902 1.00 0.00 N ATOM 749 CA ALA A 46 -2.327 3.418 20.338 1.00 0.00 C ATOM 750 C ALA A 46 -1.752 4.173 21.538 1.00 0.00 C ATOM 751 O ALA A 46 -2.357 4.248 22.591 1.00 0.00 O ATOM 752 CB ALA A 46 -3.685 2.804 20.686 1.00 0.00 C ATOM 0 H ALA A 46 -1.682 1.393 20.189 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.446 4.137 19.528 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -4.368 3.590 21.008 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.094 2.305 19.808 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.561 2.079 21.491 1.00 0.00 H new ATOM 758 N THR A 47 -0.606 4.771 21.368 1.00 0.00 N ATOM 759 CA THR A 47 0.010 5.573 22.465 1.00 0.00 C ATOM 760 C THR A 47 0.728 6.753 21.815 1.00 0.00 C ATOM 761 O THR A 47 0.693 7.867 22.299 1.00 0.00 O ATOM 762 CB THR A 47 1.012 4.743 23.274 1.00 0.00 C ATOM 763 OG1 THR A 47 2.098 4.358 22.444 1.00 0.00 O ATOM 764 CG2 THR A 47 0.327 3.503 23.859 1.00 0.00 C ATOM 0 H THR A 47 -0.062 4.738 20.505 1.00 0.00 H new ATOM 0 HA THR A 47 -0.765 5.907 23.155 1.00 0.00 H new ATOM 0 HB THR A 47 1.391 5.349 24.097 1.00 0.00 H new ATOM 0 HG1 THR A 47 2.559 3.591 22.844 1.00 0.00 H new ATOM 0 HG21 THR A 47 1.051 2.923 24.431 1.00 0.00 H new ATOM 0 HG22 THR A 47 -0.488 3.812 24.513 1.00 0.00 H new ATOM 0 HG23 THR A 47 -0.070 2.891 23.049 1.00 0.00 H new ATOM 772 N ASP A 48 1.356 6.512 20.696 1.00 0.00 N ATOM 773 CA ASP A 48 2.057 7.603 19.971 1.00 0.00 C ATOM 774 C ASP A 48 1.002 8.568 19.414 1.00 0.00 C ATOM 775 O ASP A 48 -0.141 8.548 19.827 1.00 0.00 O ATOM 776 CB ASP A 48 2.870 6.986 18.820 1.00 0.00 C ATOM 777 CG ASP A 48 4.229 6.509 19.342 1.00 0.00 C ATOM 778 OD1 ASP A 48 5.019 7.350 19.736 1.00 0.00 O ATOM 779 OD2 ASP A 48 4.454 5.309 19.336 1.00 0.00 O ATOM 0 H ASP A 48 1.412 5.596 20.251 1.00 0.00 H new ATOM 0 HA ASP A 48 2.730 8.144 20.636 1.00 0.00 H new ATOM 0 HB2 ASP A 48 2.324 6.150 18.384 1.00 0.00 H new ATOM 0 HB3 ASP A 48 3.012 7.721 18.028 1.00 0.00 H new ATOM 784 N ARG A 49 1.367 9.407 18.476 1.00 0.00 N ATOM 785 CA ARG A 49 0.375 10.365 17.889 1.00 0.00 C ATOM 786 C ARG A 49 0.623 10.486 16.387 1.00 0.00 C ATOM 787 O ARG A 49 1.674 10.137 15.886 1.00 0.00 O ATOM 788 CB ARG A 49 0.528 11.752 18.522 1.00 0.00 C ATOM 789 CG ARG A 49 -0.002 11.752 19.970 1.00 0.00 C ATOM 790 CD ARG A 49 -1.524 11.965 19.983 1.00 0.00 C ATOM 791 NE ARG A 49 -1.985 12.148 21.388 1.00 0.00 N ATOM 792 CZ ARG A 49 -3.174 12.632 21.626 1.00 0.00 C ATOM 793 NH1 ARG A 49 -3.961 12.949 20.634 1.00 0.00 N ATOM 794 NH2 ARG A 49 -3.579 12.798 22.857 1.00 0.00 N ATOM 0 H ARG A 49 2.309 9.471 18.090 1.00 0.00 H new ATOM 0 HA ARG A 49 -0.630 9.990 18.083 1.00 0.00 H new ATOM 0 HB2 ARG A 49 1.577 12.047 18.514 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -0.015 12.489 17.931 1.00 0.00 H new ATOM 0 HG2 ARG A 49 0.244 10.807 20.454 1.00 0.00 H new ATOM 0 HG3 ARG A 49 0.487 12.540 20.543 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -1.785 12.839 19.386 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -2.026 11.109 19.532 1.00 0.00 H new ATOM 0 HE ARG A 49 -1.372 11.895 22.163 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -3.647 12.819 19.672 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -4.890 13.327 20.821 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -2.966 12.549 23.633 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -4.508 13.176 23.042 1.00 0.00 H new ATOM 808 N VAL A 50 -0.341 10.987 15.672 1.00 0.00 N ATOM 809 CA VAL A 50 -0.183 11.149 14.198 1.00 0.00 C ATOM 810 C VAL A 50 0.558 12.470 13.903 1.00 0.00 C ATOM 811 O VAL A 50 0.178 13.505 14.412 1.00 0.00 O ATOM 812 CB VAL A 50 -1.568 11.187 13.544 1.00 0.00 C ATOM 813 CG1 VAL A 50 -2.322 9.895 13.874 1.00 0.00 C ATOM 814 CG2 VAL A 50 -2.356 12.393 14.073 1.00 0.00 C ATOM 0 H VAL A 50 -1.239 11.294 16.045 1.00 0.00 H new ATOM 0 HA VAL A 50 0.390 10.313 13.797 1.00 0.00 H new ATOM 0 HB VAL A 50 -1.457 11.277 12.463 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -3.308 9.920 13.410 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.763 9.040 13.493 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.432 9.804 14.955 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.341 12.417 13.606 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.469 12.308 15.154 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -1.819 13.311 13.835 1.00 0.00 H new ATOM 824 N PRO A 51 1.593 12.460 13.086 1.00 0.00 N ATOM 825 CA PRO A 51 2.339 13.706 12.747 1.00 0.00 C ATOM 826 C PRO A 51 1.408 14.903 12.540 1.00 0.00 C ATOM 827 O PRO A 51 0.364 14.797 11.933 1.00 0.00 O ATOM 828 CB PRO A 51 3.055 13.342 11.447 1.00 0.00 C ATOM 829 CG PRO A 51 3.322 11.875 11.559 1.00 0.00 C ATOM 830 CD PRO A 51 2.175 11.288 12.398 1.00 0.00 C ATOM 0 HA PRO A 51 3.013 14.013 13.546 1.00 0.00 H new ATOM 0 HB2 PRO A 51 2.437 13.567 10.578 1.00 0.00 H new ATOM 0 HB3 PRO A 51 3.981 13.906 11.334 1.00 0.00 H new ATOM 0 HG2 PRO A 51 3.359 11.411 10.574 1.00 0.00 H new ATOM 0 HG3 PRO A 51 4.285 11.691 12.035 1.00 0.00 H new ATOM 0 HD2 PRO A 51 1.438 10.788 11.770 1.00 0.00 H new ATOM 0 HD3 PRO A 51 2.541 10.549 13.111 1.00 0.00 H new ATOM 838 N ALA A 52 1.783 16.040 13.041 1.00 0.00 N ATOM 839 CA ALA A 52 0.931 17.245 12.877 1.00 0.00 C ATOM 840 C ALA A 52 0.562 17.414 11.397 1.00 0.00 C ATOM 841 O ALA A 52 1.387 17.249 10.520 1.00 0.00 O ATOM 842 CB ALA A 52 1.713 18.464 13.368 1.00 0.00 C ATOM 0 H ALA A 52 2.648 16.189 13.560 1.00 0.00 H new ATOM 0 HA ALA A 52 0.013 17.141 13.456 1.00 0.00 H new ATOM 0 HB1 ALA A 52 1.101 19.359 13.254 1.00 0.00 H new ATOM 0 HB2 ALA A 52 1.971 18.332 14.419 1.00 0.00 H new ATOM 0 HB3 ALA A 52 2.625 18.572 12.781 1.00 0.00 H new ATOM 848 N GLY A 53 -0.673 17.745 11.115 1.00 0.00 N ATOM 849 CA GLY A 53 -1.102 17.930 9.691 1.00 0.00 C ATOM 850 C GLY A 53 -1.795 16.659 9.190 1.00 0.00 C ATOM 851 O GLY A 53 -2.559 16.691 8.246 1.00 0.00 O ATOM 0 H GLY A 53 -1.405 17.896 11.809 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -1.780 18.780 9.613 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -0.237 18.154 9.067 1.00 0.00 H new ATOM 855 N LYS A 54 -1.534 15.541 9.813 1.00 0.00 N ATOM 856 CA LYS A 54 -2.176 14.269 9.374 1.00 0.00 C ATOM 857 C LYS A 54 -3.514 14.105 10.100 1.00 0.00 C ATOM 858 O LYS A 54 -3.764 14.737 11.108 1.00 0.00 O ATOM 859 CB LYS A 54 -1.252 13.095 9.723 1.00 0.00 C ATOM 860 CG LYS A 54 -0.091 13.001 8.717 1.00 0.00 C ATOM 861 CD LYS A 54 0.524 14.386 8.461 1.00 0.00 C ATOM 862 CE LYS A 54 1.830 14.240 7.665 1.00 0.00 C ATOM 863 NZ LYS A 54 2.092 15.499 6.913 1.00 0.00 N ATOM 0 H LYS A 54 -0.902 15.454 10.609 1.00 0.00 H new ATOM 0 HA LYS A 54 -2.348 14.290 8.298 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -0.857 13.223 10.731 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -1.820 12.165 9.719 1.00 0.00 H new ATOM 0 HG2 LYS A 54 0.673 12.324 9.099 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -0.450 12.579 7.779 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -0.180 15.010 7.910 1.00 0.00 H new ATOM 0 HD3 LYS A 54 0.720 14.887 9.409 1.00 0.00 H new ATOM 0 HE2 LYS A 54 2.659 14.027 8.340 1.00 0.00 H new ATOM 0 HE3 LYS A 54 1.757 13.399 6.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 2.976 15.403 6.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 1.305 15.683 6.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 2.179 16.291 7.581 1.00 0.00 H new ATOM 877 N ARG A 55 -4.378 13.268 9.595 1.00 0.00 N ATOM 878 CA ARG A 55 -5.700 13.071 10.256 1.00 0.00 C ATOM 879 C ARG A 55 -5.551 12.110 11.436 1.00 0.00 C ATOM 880 O ARG A 55 -4.483 11.591 11.697 1.00 0.00 O ATOM 881 CB ARG A 55 -6.689 12.489 9.245 1.00 0.00 C ATOM 882 CG ARG A 55 -6.648 13.312 7.932 1.00 0.00 C ATOM 883 CD ARG A 55 -8.058 13.430 7.329 1.00 0.00 C ATOM 884 NE ARG A 55 -7.965 13.548 5.838 1.00 0.00 N ATOM 885 CZ ARG A 55 -7.161 14.410 5.270 1.00 0.00 C ATOM 886 NH1 ARG A 55 -6.561 15.328 5.976 1.00 0.00 N ATOM 887 NH2 ARG A 55 -7.006 14.388 3.974 1.00 0.00 N ATOM 0 H ARG A 55 -4.226 12.712 8.753 1.00 0.00 H new ATOM 0 HA ARG A 55 -6.069 14.030 10.620 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -6.442 11.448 9.039 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -7.697 12.501 9.661 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -6.246 14.306 8.131 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -5.978 12.834 7.217 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -8.652 12.557 7.597 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -8.568 14.301 7.741 1.00 0.00 H new ATOM 0 HE ARG A 55 -8.541 12.943 5.253 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -6.716 15.380 6.983 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -5.937 15.994 5.521 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -7.510 13.702 3.412 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -6.381 15.057 3.524 1.00 0.00 H new ATOM 901 N ASP A 56 -6.615 11.873 12.157 1.00 0.00 N ATOM 902 CA ASP A 56 -6.542 10.949 13.327 1.00 0.00 C ATOM 903 C ASP A 56 -6.789 9.511 12.867 1.00 0.00 C ATOM 904 O ASP A 56 -7.368 9.270 11.826 1.00 0.00 O ATOM 905 CB ASP A 56 -7.607 11.344 14.352 1.00 0.00 C ATOM 906 CG ASP A 56 -7.550 10.388 15.544 1.00 0.00 C ATOM 907 OD1 ASP A 56 -6.577 10.445 16.278 1.00 0.00 O ATOM 908 OD2 ASP A 56 -8.480 9.614 15.703 1.00 0.00 O ATOM 0 H ASP A 56 -7.534 12.281 11.986 1.00 0.00 H new ATOM 0 HA ASP A 56 -5.553 11.017 13.779 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -7.443 12.368 14.686 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -8.596 11.313 13.895 1.00 0.00 H new ATOM 913 N ALA A 57 -6.354 8.554 13.639 1.00 0.00 N ATOM 914 CA ALA A 57 -6.560 7.130 13.256 1.00 0.00 C ATOM 915 C ALA A 57 -6.063 6.229 14.386 1.00 0.00 C ATOM 916 O ALA A 57 -5.089 6.528 15.046 1.00 0.00 O ATOM 917 CB ALA A 57 -5.767 6.823 11.979 1.00 0.00 C ATOM 0 H ALA A 57 -5.863 8.698 14.521 1.00 0.00 H new ATOM 0 HA ALA A 57 -7.620 6.950 13.078 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -5.918 5.780 11.699 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -6.112 7.469 11.172 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -4.707 7.001 12.158 1.00 0.00 H new ATOM 923 N ILE A 58 -6.708 5.117 14.604 1.00 0.00 N ATOM 924 CA ILE A 58 -6.247 4.201 15.674 1.00 0.00 C ATOM 925 C ILE A 58 -4.968 3.530 15.201 1.00 0.00 C ATOM 926 O ILE A 58 -4.748 3.359 14.019 1.00 0.00 O ATOM 927 CB ILE A 58 -7.310 3.132 15.938 1.00 0.00 C ATOM 928 CG1 ILE A 58 -7.489 2.249 14.688 1.00 0.00 C ATOM 929 CG2 ILE A 58 -8.637 3.800 16.278 1.00 0.00 C ATOM 930 CD1 ILE A 58 -8.687 1.287 14.853 1.00 0.00 C ATOM 0 H ILE A 58 -7.531 4.807 14.087 1.00 0.00 H new ATOM 0 HA ILE A 58 -6.072 4.759 16.594 1.00 0.00 H new ATOM 0 HB ILE A 58 -6.988 2.512 16.775 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -7.643 2.880 13.813 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -6.579 1.675 14.511 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -9.391 3.036 16.465 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -8.516 4.417 17.169 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -8.954 4.426 15.444 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -8.789 0.676 13.956 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -8.519 0.641 15.715 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -9.599 1.864 15.005 1.00 0.00 H new ATOM 942 N SER A 59 -4.125 3.140 16.103 1.00 0.00 N ATOM 943 CA SER A 59 -2.869 2.473 15.685 1.00 0.00 C ATOM 944 C SER A 59 -3.211 1.321 14.746 1.00 0.00 C ATOM 945 O SER A 59 -4.310 0.800 14.764 1.00 0.00 O ATOM 946 CB SER A 59 -2.156 1.939 16.921 1.00 0.00 C ATOM 947 OG SER A 59 -2.487 0.567 17.112 1.00 0.00 O ATOM 0 H SER A 59 -4.248 3.253 17.109 1.00 0.00 H new ATOM 0 HA SER A 59 -2.218 3.180 15.170 1.00 0.00 H new ATOM 0 HB2 SER A 59 -1.078 2.050 16.807 1.00 0.00 H new ATOM 0 HB3 SER A 59 -2.445 2.518 17.798 1.00 0.00 H new ATOM 0 HG SER A 59 -2.304 0.313 18.041 1.00 0.00 H new ATOM 953 N LEU A 60 -2.290 0.917 13.928 1.00 0.00 N ATOM 954 CA LEU A 60 -2.580 -0.199 12.997 1.00 0.00 C ATOM 955 C LEU A 60 -2.950 -1.443 13.823 1.00 0.00 C ATOM 956 O LEU A 60 -3.804 -2.221 13.449 1.00 0.00 O ATOM 957 CB LEU A 60 -1.324 -0.467 12.133 1.00 0.00 C ATOM 958 CG LEU A 60 -1.692 -0.557 10.646 1.00 0.00 C ATOM 959 CD1 LEU A 60 -0.410 -0.622 9.815 1.00 0.00 C ATOM 960 CD2 LEU A 60 -2.545 -1.802 10.385 1.00 0.00 C ATOM 0 H LEU A 60 -1.351 1.309 13.863 1.00 0.00 H new ATOM 0 HA LEU A 60 -3.412 0.049 12.338 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.597 0.331 12.284 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.850 -1.395 12.451 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.268 0.324 10.364 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -0.665 -0.686 8.757 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.184 0.275 9.991 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.166 -1.501 10.103 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.799 -1.854 9.326 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.984 -2.693 10.667 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -3.460 -1.747 10.975 1.00 0.00 H new ATOM 972 N ARG A 61 -2.304 -1.630 14.945 1.00 0.00 N ATOM 973 CA ARG A 61 -2.600 -2.812 15.799 1.00 0.00 C ATOM 974 C ARG A 61 -4.099 -2.849 16.147 1.00 0.00 C ATOM 975 O ARG A 61 -4.660 -3.907 16.344 1.00 0.00 O ATOM 976 CB ARG A 61 -1.736 -2.731 17.081 1.00 0.00 C ATOM 977 CG ARG A 61 -0.547 -3.706 16.996 1.00 0.00 C ATOM 978 CD ARG A 61 0.387 -3.287 15.858 1.00 0.00 C ATOM 979 NE ARG A 61 1.638 -4.124 15.874 1.00 0.00 N ATOM 980 CZ ARG A 61 2.439 -4.154 16.907 1.00 0.00 C ATOM 981 NH1 ARG A 61 2.264 -3.338 17.909 1.00 0.00 N ATOM 982 NH2 ARG A 61 3.452 -4.977 16.913 1.00 0.00 N ATOM 0 H ARG A 61 -1.580 -1.009 15.306 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.358 -3.730 15.263 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -1.370 -1.713 17.215 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -2.346 -2.968 17.953 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -0.003 -3.714 17.941 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -0.908 -4.721 16.827 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -0.122 -3.400 14.901 1.00 0.00 H new ATOM 0 HD3 ARG A 61 0.645 -2.233 15.960 1.00 0.00 H new ATOM 0 HE ARG A 61 1.868 -4.685 15.054 1.00 0.00 H new ATOM 0 HH11 ARG A 61 1.496 -2.667 17.892 1.00 0.00 H new ATOM 0 HH12 ARG A 61 2.895 -3.371 18.710 1.00 0.00 H new ATOM 0 HH21 ARG A 61 3.615 -5.591 16.115 1.00 0.00 H new ATOM 0 HH22 ARG A 61 4.081 -5.006 17.715 1.00 0.00 H new ATOM 996 N GLU A 62 -4.763 -1.721 16.210 1.00 0.00 N ATOM 997 CA GLU A 62 -6.217 -1.758 16.529 1.00 0.00 C ATOM 998 C GLU A 62 -6.968 -2.215 15.276 1.00 0.00 C ATOM 999 O GLU A 62 -7.827 -3.073 15.336 1.00 0.00 O ATOM 1000 CB GLU A 62 -6.693 -0.372 16.972 1.00 0.00 C ATOM 1001 CG GLU A 62 -6.330 -0.134 18.446 1.00 0.00 C ATOM 1002 CD GLU A 62 -7.032 1.127 18.951 1.00 0.00 C ATOM 1003 OE1 GLU A 62 -8.133 1.391 18.496 1.00 0.00 O ATOM 1004 OE2 GLU A 62 -6.457 1.808 19.785 1.00 0.00 O ATOM 0 H GLU A 62 -4.367 -0.794 16.057 1.00 0.00 H new ATOM 0 HA GLU A 62 -6.409 -2.453 17.347 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -6.234 0.395 16.348 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -7.771 -0.289 16.837 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -6.627 -0.993 19.047 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.250 -0.029 18.552 1.00 0.00 H new ATOM 1011 N LYS A 63 -6.626 -1.682 14.132 1.00 0.00 N ATOM 1012 CA LYS A 63 -7.300 -2.132 12.882 1.00 0.00 C ATOM 1013 C LYS A 63 -7.001 -3.618 12.709 1.00 0.00 C ATOM 1014 O LYS A 63 -7.887 -4.446 12.678 1.00 0.00 O ATOM 1015 CB LYS A 63 -6.751 -1.353 11.681 1.00 0.00 C ATOM 1016 CG LYS A 63 -6.944 0.152 11.910 1.00 0.00 C ATOM 1017 CD LYS A 63 -6.879 0.899 10.577 1.00 0.00 C ATOM 1018 CE LYS A 63 -7.156 2.388 10.811 1.00 0.00 C ATOM 1019 NZ LYS A 63 -7.497 3.039 9.515 1.00 0.00 N ATOM 0 H LYS A 63 -5.915 -0.961 14.011 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.374 -1.957 12.944 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.693 -1.577 11.542 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.264 -1.661 10.770 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.905 0.334 12.391 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.174 0.527 12.584 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.897 0.768 10.122 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -7.610 0.487 9.881 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -7.976 2.510 11.518 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -6.282 2.867 11.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -7.685 4.050 9.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -6.701 2.934 8.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -8.343 2.588 9.112 1.00 0.00 H new ATOM 1033 N ILE A 64 -5.744 -3.950 12.626 1.00 0.00 N ATOM 1034 CA ILE A 64 -5.324 -5.373 12.480 1.00 0.00 C ATOM 1035 C ILE A 64 -6.152 -6.256 13.425 1.00 0.00 C ATOM 1036 O ILE A 64 -6.618 -7.314 13.056 1.00 0.00 O ATOM 1037 CB ILE A 64 -3.824 -5.451 12.833 1.00 0.00 C ATOM 1038 CG1 ILE A 64 -2.980 -5.039 11.613 1.00 0.00 C ATOM 1039 CG2 ILE A 64 -3.418 -6.864 13.273 1.00 0.00 C ATOM 1040 CD1 ILE A 64 -1.602 -4.556 12.077 1.00 0.00 C ATOM 0 H ILE A 64 -4.974 -3.282 12.654 1.00 0.00 H new ATOM 0 HA ILE A 64 -5.487 -5.728 11.463 1.00 0.00 H new ATOM 0 HB ILE A 64 -3.644 -4.769 13.664 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.870 -5.884 10.933 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -3.486 -4.248 11.059 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -2.355 -6.879 13.513 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -3.993 -7.150 14.154 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -3.617 -7.568 12.465 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -1.008 -4.265 11.211 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -1.721 -3.699 12.740 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -1.096 -5.360 12.611 1.00 0.00 H new ATOM 1052 N ALA A 65 -6.326 -5.827 14.643 1.00 0.00 N ATOM 1053 CA ALA A 65 -7.110 -6.636 15.619 1.00 0.00 C ATOM 1054 C ALA A 65 -8.497 -6.954 15.051 1.00 0.00 C ATOM 1055 O ALA A 65 -9.028 -8.026 15.261 1.00 0.00 O ATOM 1056 CB ALA A 65 -7.268 -5.848 16.920 1.00 0.00 C ATOM 0 H ALA A 65 -5.958 -4.948 15.007 1.00 0.00 H new ATOM 0 HA ALA A 65 -6.580 -7.569 15.811 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -7.841 -6.438 17.635 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -6.284 -5.630 17.335 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -7.792 -4.914 16.718 1.00 0.00 H new ATOM 1062 N GLU A 66 -9.091 -6.035 14.341 1.00 0.00 N ATOM 1063 CA GLU A 66 -10.443 -6.302 13.776 1.00 0.00 C ATOM 1064 C GLU A 66 -10.318 -7.267 12.598 1.00 0.00 C ATOM 1065 O GLU A 66 -11.142 -8.138 12.400 1.00 0.00 O ATOM 1066 CB GLU A 66 -11.064 -4.989 13.296 1.00 0.00 C ATOM 1067 CG GLU A 66 -11.005 -3.954 14.422 1.00 0.00 C ATOM 1068 CD GLU A 66 -11.825 -2.724 14.030 1.00 0.00 C ATOM 1069 OE1 GLU A 66 -12.485 -2.779 13.006 1.00 0.00 O ATOM 1070 OE2 GLU A 66 -11.777 -1.747 14.759 1.00 0.00 O ATOM 0 H GLU A 66 -8.702 -5.116 14.129 1.00 0.00 H new ATOM 0 HA GLU A 66 -11.078 -6.744 14.544 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.529 -4.620 12.421 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -12.098 -5.153 12.992 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -11.393 -4.384 15.345 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -9.971 -3.668 14.614 1.00 0.00 H new ATOM 1077 N LEU A 67 -9.292 -7.110 11.814 1.00 0.00 N ATOM 1078 CA LEU A 67 -9.096 -8.003 10.638 1.00 0.00 C ATOM 1079 C LEU A 67 -8.727 -9.411 11.114 1.00 0.00 C ATOM 1080 O LEU A 67 -8.872 -10.377 10.393 1.00 0.00 O ATOM 1081 CB LEU A 67 -7.966 -7.449 9.760 1.00 0.00 C ATOM 1082 CG LEU A 67 -8.100 -5.928 9.637 1.00 0.00 C ATOM 1083 CD1 LEU A 67 -6.969 -5.386 8.764 1.00 0.00 C ATOM 1084 CD2 LEU A 67 -9.448 -5.586 8.997 1.00 0.00 C ATOM 0 H LEU A 67 -8.574 -6.396 11.937 1.00 0.00 H new ATOM 0 HA LEU A 67 -10.020 -8.048 10.061 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -6.999 -7.704 10.193 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -8.003 -7.907 8.772 1.00 0.00 H new ATOM 0 HG LEU A 67 -8.042 -5.476 10.627 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -7.064 -4.304 8.676 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -6.009 -5.630 9.219 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -7.026 -5.837 7.773 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -9.545 -4.504 8.909 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -9.505 -6.037 8.007 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -10.255 -5.973 9.619 1.00 0.00 H new ATOM 1096 N GLN A 68 -8.233 -9.531 12.318 1.00 0.00 N ATOM 1097 CA GLN A 68 -7.835 -10.874 12.832 1.00 0.00 C ATOM 1098 C GLN A 68 -9.058 -11.628 13.364 1.00 0.00 C ATOM 1099 O GLN A 68 -9.228 -12.803 13.105 1.00 0.00 O ATOM 1100 CB GLN A 68 -6.814 -10.701 13.962 1.00 0.00 C ATOM 1101 CG GLN A 68 -5.447 -10.344 13.371 1.00 0.00 C ATOM 1102 CD GLN A 68 -4.410 -10.271 14.493 1.00 0.00 C ATOM 1103 OE1 GLN A 68 -4.664 -9.550 15.552 1.00 0.00 O flip ATOM 1104 NE2 GLN A 68 -3.360 -10.876 14.408 1.00 0.00 N flip ATOM 0 H GLN A 68 -8.088 -8.758 12.967 1.00 0.00 H new ATOM 0 HA GLN A 68 -7.395 -11.448 12.016 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -7.142 -9.917 14.645 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -6.741 -11.620 14.543 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -5.150 -11.092 12.635 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -5.503 -9.388 12.850 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -3.161 -11.439 13.581 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -2.677 -10.821 15.164 1.00 0.00 H new