USER MOD reduce.3.24.130724 H: found=0, std=0, add=1001, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1003 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: B 60 LYS NZ :NH3+ 177:sc= 0.42 (180deg=-0.0275) USER MOD Set 1.2: B 63 GLN : amide:sc= 0.4 K(o=0.82,f=-2.9) USER MOD Set 2.1: A 42 THR OG1 : rot -102:sc= 0.279 USER MOD Set 2.2: B 68 SER OG : rot -84:sc= 1.53 USER MOD Set 3.1: A 26 HIS : +bothHN:sc= -0.455! C(o=-2.8!,f=-9.1!) USER MOD Set 3.2: B 11 GLN : amide:sc= -2.35 K(o=-2.8,f=-6.3!) USER MOD Set 4.1: A 7 TYR OH : rot -179:sc= 0.0181 USER MOD Set 4.2: B 29 SER OG : rot 150:sc= 1.21 USER MOD Single : A 8 THR OG1 : rot 180:sc= -1.68! USER MOD Single : A 11 GLN : amide:sc= -1.69! C(o=-1.7!,f=-4.2!) USER MOD Single : A 14 LYS NZ :NH3+ -179:sc= 1.22 (180deg=1.21) USER MOD Single : A 25 LYS NZ :NH3+ 170:sc= 0.475 (180deg=0.0543) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 62:sc= 0.562 USER MOD Single : A 35 MET CE :methyl 151:sc= -0.225 (180deg=-1.03) USER MOD Single : A 39 ASN : amide:sc= 1.11 K(o=1.1,f=-0.11) USER MOD Single : A 43 ASN : amide:sc= 0.966 K(o=0.97,f=-4!) USER MOD Single : A 46 ASN : amide:sc= -1.6! X(o=-1.6!,f=-1.1) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 GLN :FLIP amide:sc= -0.531 F(o=-3.3!,f=-0.53) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN :FLIP amide:sc= -0.0101 F(o=-1.1,f=-0.01) USER MOD Single : A 66 MET CE :methyl 171:sc= 0 (180deg=-0.173) USER MOD Single : A 67 SER OG : rot 83:sc= 1.25 USER MOD Single : A 68 SER OG : rot 84:sc= 0.212 USER MOD Single : B 8 THR OG1 : rot 28:sc= 0.274 USER MOD Single : B 14 LYS NZ :NH3+ 150:sc= 1.25 (180deg=0.516) USER MOD Single : B 25 LYS NZ :NH3+ -146:sc= 1.29 (180deg=1.16) USER MOD Single : B 26 HIS : no HD1:sc= 0.195 K(o=0.19,f=-6.5!) USER MOD Single : B 33 THR OG1 : rot 69:sc= 0.894 USER MOD Single : B 35 MET CE :methyl 170:sc= -0.0873 (180deg=-0.33) USER MOD Single : B 39 ASN : amide:sc= 0 X(o=0,f=0.38) USER MOD Single : B 42 THR OG1 : rot 75:sc= 1.29 USER MOD Single : B 43 ASN :FLIP amide:sc= -0.412 F(o=-1.3,f=-0.41) USER MOD Single : B 46 ASN : amide:sc= -0.723 X(o=-0.72,f=-0.28) USER MOD Single : B 47 GLN : amide:sc= -3.61! C(o=-3.6!,f=-6.2!) USER MOD Single : B 52 SER OG : rot -31:sc= 0.367 USER MOD Single : B 53 GLN : amide:sc= -0.139 K(o=-0.14,f=-3.3!) USER MOD Single : B 55 LYS NZ :NH3+ -159:sc= 1.18 (180deg=0.716) USER MOD Single : B 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 67 SER OG : rot 80:sc= 1.2 USER MOD ----------------------------------------------------------------- ATOM 97 N TYR A 7 -5.622 4.863 15.970 1.00 0.00 N ATOM 98 CA TYR A 7 -5.993 6.262 16.121 1.00 0.00 C ATOM 99 C TYR A 7 -7.501 6.419 15.954 1.00 0.00 C ATOM 100 O TYR A 7 -8.226 5.427 15.853 1.00 0.00 O ATOM 101 CB TYR A 7 -5.265 7.120 15.087 1.00 0.00 C ATOM 102 CG TYR A 7 -3.758 7.117 15.234 1.00 0.00 C ATOM 103 CD1 TYR A 7 -3.143 7.791 16.281 1.00 0.00 C ATOM 104 CD2 TYR A 7 -2.953 6.443 14.325 1.00 0.00 C ATOM 105 CE1 TYR A 7 -1.769 7.794 16.418 1.00 0.00 C ATOM 106 CE2 TYR A 7 -1.577 6.442 14.455 1.00 0.00 C ATOM 107 CZ TYR A 7 -0.990 7.119 15.504 1.00 0.00 C ATOM 108 OH TYR A 7 0.381 7.121 15.641 1.00 0.00 O ATOM 0 HA TYR A 7 -5.705 6.595 17.118 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -5.523 6.765 14.089 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -5.625 8.146 15.163 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -3.749 8.322 17.000 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -3.409 5.911 13.503 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -1.307 8.323 17.238 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -0.965 5.914 13.739 1.00 0.00 H new ATOM 0 HH TYR A 7 0.784 6.612 14.907 1.00 0.00 H new ATOM 118 N THR A 8 -7.981 7.653 15.921 1.00 0.00 N ATOM 119 CA THR A 8 -9.402 7.884 15.734 1.00 0.00 C ATOM 120 C THR A 8 -9.767 7.688 14.267 1.00 0.00 C ATOM 121 O THR A 8 -8.984 8.023 13.373 1.00 0.00 O ATOM 122 CB THR A 8 -9.829 9.294 16.204 1.00 0.00 C ATOM 123 OG1 THR A 8 -9.237 10.306 15.385 1.00 0.00 O ATOM 124 CG2 THR A 8 -9.419 9.532 17.648 1.00 0.00 C ATOM 0 H THR A 8 -7.416 8.497 16.020 1.00 0.00 H new ATOM 0 HA THR A 8 -9.939 7.161 16.348 1.00 0.00 H new ATOM 0 HB THR A 8 -10.914 9.348 16.121 1.00 0.00 H new ATOM 0 HG1 THR A 8 -9.522 11.189 15.699 1.00 0.00 H new ATOM 0 HG21 THR A 8 -9.731 10.530 17.955 1.00 0.00 H new ATOM 0 HG22 THR A 8 -9.896 8.790 18.289 1.00 0.00 H new ATOM 0 HG23 THR A 8 -8.336 9.446 17.738 1.00 0.00 H new ATOM 132 N ASP A 9 -10.943 7.125 14.021 1.00 0.00 N ATOM 133 CA ASP A 9 -11.388 6.852 12.660 1.00 0.00 C ATOM 134 C ASP A 9 -11.474 8.145 11.861 1.00 0.00 C ATOM 135 O ASP A 9 -11.149 8.173 10.677 1.00 0.00 O ATOM 136 CB ASP A 9 -12.748 6.142 12.659 1.00 0.00 C ATOM 137 CG ASP A 9 -13.882 7.029 13.139 1.00 0.00 C ATOM 138 OD1 ASP A 9 -13.889 7.399 14.332 1.00 0.00 O ATOM 139 OD2 ASP A 9 -14.770 7.362 12.326 1.00 0.00 O ATOM 0 H ASP A 9 -11.606 6.849 14.745 1.00 0.00 H new ATOM 0 HA ASP A 9 -10.656 6.194 12.192 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -12.969 5.794 11.650 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -12.691 5.259 13.295 1.00 0.00 H new ATOM 144 N GLU A 10 -11.881 9.217 12.534 1.00 0.00 N ATOM 145 CA GLU A 10 -12.017 10.526 11.905 1.00 0.00 C ATOM 146 C GLU A 10 -10.669 11.042 11.419 1.00 0.00 C ATOM 147 O GLU A 10 -10.566 11.593 10.328 1.00 0.00 O ATOM 148 CB GLU A 10 -12.603 11.526 12.893 1.00 0.00 C ATOM 149 CG GLU A 10 -13.891 11.070 13.545 1.00 0.00 C ATOM 150 CD GLU A 10 -14.354 12.043 14.600 1.00 0.00 C ATOM 151 OE1 GLU A 10 -13.756 12.059 15.696 1.00 0.00 O ATOM 152 OE2 GLU A 10 -15.295 12.820 14.331 1.00 0.00 O ATOM 0 H GLU A 10 -12.124 9.203 13.524 1.00 0.00 H new ATOM 0 HA GLU A 10 -12.684 10.416 11.050 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -11.866 11.726 13.671 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -12.784 12.468 12.375 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -14.665 10.961 12.785 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -13.744 10.088 13.994 1.00 0.00 H new ATOM 159 N GLN A 11 -9.643 10.858 12.240 1.00 0.00 N ATOM 160 CA GLN A 11 -8.304 11.344 11.930 1.00 0.00 C ATOM 161 C GLN A 11 -7.821 10.752 10.609 1.00 0.00 C ATOM 162 O GLN A 11 -7.418 11.472 9.693 1.00 0.00 O ATOM 163 CB GLN A 11 -7.355 10.959 13.068 1.00 0.00 C ATOM 164 CG GLN A 11 -6.025 11.692 13.055 1.00 0.00 C ATOM 165 CD GLN A 11 -5.141 11.304 14.222 1.00 0.00 C ATOM 166 OE1 GLN A 11 -5.202 10.181 14.721 1.00 0.00 O ATOM 167 NE2 GLN A 11 -4.317 12.234 14.672 1.00 0.00 N ATOM 0 H GLN A 11 -9.714 10.371 13.134 1.00 0.00 H new ATOM 0 HA GLN A 11 -8.324 12.429 11.829 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -7.852 11.151 14.019 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -7.165 9.887 13.018 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -5.504 11.478 12.121 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -6.205 12.767 13.081 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -4.296 13.154 14.231 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -3.702 12.032 15.460 1.00 0.00 H new ATOM 176 N VAL A 12 -7.895 9.431 10.523 1.00 0.00 N ATOM 177 CA VAL A 12 -7.511 8.718 9.317 1.00 0.00 C ATOM 178 C VAL A 12 -8.451 9.071 8.170 1.00 0.00 C ATOM 179 O VAL A 12 -8.005 9.314 7.053 1.00 0.00 O ATOM 180 CB VAL A 12 -7.518 7.188 9.532 1.00 0.00 C ATOM 181 CG1 VAL A 12 -7.068 6.471 8.268 1.00 0.00 C ATOM 182 CG2 VAL A 12 -6.636 6.802 10.710 1.00 0.00 C ATOM 0 H VAL A 12 -8.220 8.830 11.280 1.00 0.00 H new ATOM 0 HA VAL A 12 -6.495 9.025 9.068 1.00 0.00 H new ATOM 0 HB VAL A 12 -8.539 6.880 9.759 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -7.079 5.394 8.437 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -7.745 6.717 7.450 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -6.057 6.788 8.010 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -6.657 5.720 10.841 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -5.612 7.124 10.519 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -7.006 7.285 11.615 1.00 0.00 H new ATOM 192 N GLU A 13 -9.747 9.121 8.473 1.00 0.00 N ATOM 193 CA GLU A 13 -10.777 9.454 7.490 1.00 0.00 C ATOM 194 C GLU A 13 -10.474 10.777 6.800 1.00 0.00 C ATOM 195 O GLU A 13 -10.570 10.887 5.579 1.00 0.00 O ATOM 196 CB GLU A 13 -12.145 9.532 8.178 1.00 0.00 C ATOM 197 CG GLU A 13 -13.286 9.922 7.255 1.00 0.00 C ATOM 198 CD GLU A 13 -14.589 10.125 8.002 1.00 0.00 C ATOM 199 OE1 GLU A 13 -15.325 9.136 8.203 1.00 0.00 O ATOM 200 OE2 GLU A 13 -14.887 11.280 8.385 1.00 0.00 O ATOM 0 H GLU A 13 -10.113 8.932 9.406 1.00 0.00 H new ATOM 0 HA GLU A 13 -10.790 8.670 6.733 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -12.370 8.564 8.625 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -12.089 10.254 8.992 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -13.026 10.840 6.728 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -13.420 9.147 6.500 1.00 0.00 H new ATOM 207 N LYS A 14 -10.091 11.773 7.584 1.00 0.00 N ATOM 208 CA LYS A 14 -9.824 13.104 7.051 1.00 0.00 C ATOM 209 C LYS A 14 -8.570 13.107 6.191 1.00 0.00 C ATOM 210 O LYS A 14 -8.550 13.710 5.116 1.00 0.00 O ATOM 211 CB LYS A 14 -9.702 14.137 8.176 1.00 0.00 C ATOM 212 CG LYS A 14 -11.010 14.846 8.503 1.00 0.00 C ATOM 213 CD LYS A 14 -12.085 13.875 8.961 1.00 0.00 C ATOM 214 CE LYS A 14 -13.423 14.566 9.131 1.00 0.00 C ATOM 215 NZ LYS A 14 -14.474 13.631 9.605 1.00 0.00 N ATOM 0 H LYS A 14 -9.958 11.687 8.592 1.00 0.00 H new ATOM 0 HA LYS A 14 -10.671 13.382 6.424 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -9.334 13.641 9.074 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -8.957 14.881 7.895 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -10.835 15.587 9.283 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -11.360 15.385 7.623 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -12.181 13.068 8.235 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -11.787 13.420 9.906 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -13.320 15.386 9.841 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -13.729 15.004 8.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -15.377 14.139 9.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -14.579 12.852 8.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -14.203 13.245 10.532 1.00 0.00 H new ATOM 229 N ILE A 15 -7.529 12.426 6.653 1.00 0.00 N ATOM 230 CA ILE A 15 -6.296 12.359 5.882 1.00 0.00 C ATOM 231 C ILE A 15 -6.521 11.559 4.600 1.00 0.00 C ATOM 232 O ILE A 15 -6.103 11.976 3.520 1.00 0.00 O ATOM 233 CB ILE A 15 -5.132 11.750 6.690 1.00 0.00 C ATOM 234 CG1 ILE A 15 -4.971 12.487 8.023 1.00 0.00 C ATOM 235 CG2 ILE A 15 -3.842 11.827 5.884 1.00 0.00 C ATOM 236 CD1 ILE A 15 -3.878 11.922 8.905 1.00 0.00 C ATOM 0 H ILE A 15 -7.513 11.922 7.540 1.00 0.00 H new ATOM 0 HA ILE A 15 -6.015 13.382 5.631 1.00 0.00 H new ATOM 0 HB ILE A 15 -5.355 10.703 6.897 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -4.758 13.537 7.823 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -5.917 12.451 8.564 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -3.025 11.395 6.462 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -3.961 11.272 4.953 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -3.615 12.869 5.659 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -3.824 12.496 9.830 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -4.099 10.880 9.136 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -2.922 11.983 8.384 1.00 0.00 H new ATOM 248 N LEU A 16 -7.214 10.427 4.725 1.00 0.00 N ATOM 249 CA LEU A 16 -7.564 9.604 3.569 1.00 0.00 C ATOM 250 C LEU A 16 -8.370 10.405 2.559 1.00 0.00 C ATOM 251 O LEU A 16 -8.124 10.327 1.356 1.00 0.00 O ATOM 252 CB LEU A 16 -8.375 8.376 3.993 1.00 0.00 C ATOM 253 CG LEU A 16 -7.584 7.250 4.654 1.00 0.00 C ATOM 254 CD1 LEU A 16 -8.520 6.134 5.091 1.00 0.00 C ATOM 255 CD2 LEU A 16 -6.531 6.712 3.702 1.00 0.00 C ATOM 0 H LEU A 16 -7.544 10.059 5.617 1.00 0.00 H new ATOM 0 HA LEU A 16 -6.631 9.276 3.110 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -9.154 8.700 4.683 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -8.876 7.974 3.112 1.00 0.00 H new ATOM 0 HG LEU A 16 -7.082 7.650 5.535 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -7.942 5.338 5.561 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -9.245 6.526 5.804 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -9.044 5.737 4.222 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -5.976 5.910 4.189 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -7.015 6.326 2.805 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -5.845 7.513 3.428 1.00 0.00 H new ATOM 267 N ALA A 17 -9.329 11.174 3.060 1.00 0.00 N ATOM 268 CA ALA A 17 -10.187 11.985 2.211 1.00 0.00 C ATOM 269 C ALA A 17 -9.367 12.941 1.352 1.00 0.00 C ATOM 270 O ALA A 17 -9.616 13.077 0.155 1.00 0.00 O ATOM 271 CB ALA A 17 -11.189 12.758 3.052 1.00 0.00 C ATOM 0 H ALA A 17 -9.531 11.252 4.057 1.00 0.00 H new ATOM 0 HA ALA A 17 -10.730 11.314 1.545 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -11.823 13.360 2.401 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -11.807 12.059 3.615 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -10.657 13.411 3.744 1.00 0.00 H new ATOM 277 N GLU A 18 -8.379 13.592 1.958 1.00 0.00 N ATOM 278 CA GLU A 18 -7.543 14.535 1.224 1.00 0.00 C ATOM 279 C GLU A 18 -6.592 13.817 0.269 1.00 0.00 C ATOM 280 O GLU A 18 -6.325 14.307 -0.828 1.00 0.00 O ATOM 281 CB GLU A 18 -6.764 15.439 2.177 1.00 0.00 C ATOM 282 CG GLU A 18 -7.653 16.371 2.978 1.00 0.00 C ATOM 283 CD GLU A 18 -6.873 17.470 3.665 1.00 0.00 C ATOM 284 OE1 GLU A 18 -6.381 17.245 4.787 1.00 0.00 O ATOM 285 OE2 GLU A 18 -6.751 18.570 3.087 1.00 0.00 O ATOM 0 H GLU A 18 -8.140 13.486 2.944 1.00 0.00 H new ATOM 0 HA GLU A 18 -8.208 15.159 0.627 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -6.186 14.820 2.863 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -6.051 16.031 1.604 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -8.396 16.817 2.316 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -8.197 15.795 3.726 1.00 0.00 H new ATOM 292 N VAL A 19 -6.086 12.657 0.676 1.00 0.00 N ATOM 293 CA VAL A 19 -5.226 11.859 -0.195 1.00 0.00 C ATOM 294 C VAL A 19 -6.007 11.386 -1.421 1.00 0.00 C ATOM 295 O VAL A 19 -5.537 11.497 -2.556 1.00 0.00 O ATOM 296 CB VAL A 19 -4.629 10.638 0.542 1.00 0.00 C ATOM 297 CG1 VAL A 19 -3.836 9.763 -0.416 1.00 0.00 C ATOM 298 CG2 VAL A 19 -3.745 11.087 1.698 1.00 0.00 C ATOM 0 H VAL A 19 -6.254 12.250 1.596 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.401 12.499 -0.508 1.00 0.00 H new ATOM 0 HB VAL A 19 -5.455 10.051 0.943 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.426 8.910 0.125 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -4.491 9.407 -1.211 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -3.022 10.344 -0.850 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -3.335 10.213 2.203 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -2.930 11.701 1.315 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -4.337 11.669 2.404 1.00 0.00 H new ATOM 308 N ALA A 20 -7.212 10.879 -1.181 1.00 0.00 N ATOM 309 CA ALA A 20 -8.084 10.436 -2.260 1.00 0.00 C ATOM 310 C ALA A 20 -8.473 11.610 -3.149 1.00 0.00 C ATOM 311 O ALA A 20 -8.620 11.460 -4.360 1.00 0.00 O ATOM 312 CB ALA A 20 -9.327 9.757 -1.700 1.00 0.00 C ATOM 0 H ALA A 20 -7.606 10.765 -0.247 1.00 0.00 H new ATOM 0 HA ALA A 20 -7.539 9.711 -2.865 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -9.966 9.433 -2.522 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -9.033 8.892 -1.106 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -9.873 10.460 -1.071 1.00 0.00 H new ATOM 318 N LEU A 21 -8.622 12.783 -2.536 1.00 0.00 N ATOM 319 CA LEU A 21 -8.950 14.000 -3.265 1.00 0.00 C ATOM 320 C LEU A 21 -7.844 14.321 -4.272 1.00 0.00 C ATOM 321 O LEU A 21 -8.118 14.712 -5.406 1.00 0.00 O ATOM 322 CB LEU A 21 -9.161 15.157 -2.271 1.00 0.00 C ATOM 323 CG LEU A 21 -9.807 16.432 -2.834 1.00 0.00 C ATOM 324 CD1 LEU A 21 -10.486 17.214 -1.723 1.00 0.00 C ATOM 325 CD2 LEU A 21 -8.777 17.314 -3.521 1.00 0.00 C ATOM 0 H LEU A 21 -8.519 12.913 -1.530 1.00 0.00 H new ATOM 0 HA LEU A 21 -9.876 13.857 -3.822 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -9.780 14.794 -1.451 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -8.193 15.423 -1.846 1.00 0.00 H new ATOM 0 HG LEU A 21 -10.550 16.129 -3.572 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -10.939 18.115 -2.137 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -11.258 16.597 -1.264 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -9.748 17.492 -0.970 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -9.265 18.208 -3.909 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -8.008 17.602 -2.804 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -8.318 16.765 -4.343 1.00 0.00 H new ATOM 337 N VAL A 22 -6.594 14.125 -3.861 1.00 0.00 N ATOM 338 CA VAL A 22 -5.453 14.337 -4.743 1.00 0.00 C ATOM 339 C VAL A 22 -5.523 13.396 -5.941 1.00 0.00 C ATOM 340 O VAL A 22 -5.384 13.818 -7.092 1.00 0.00 O ATOM 341 CB VAL A 22 -4.111 14.119 -4.005 1.00 0.00 C ATOM 342 CG1 VAL A 22 -2.940 14.203 -4.974 1.00 0.00 C ATOM 343 CG2 VAL A 22 -3.943 15.130 -2.881 1.00 0.00 C ATOM 0 H VAL A 22 -6.347 13.819 -2.920 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.497 15.372 -5.083 1.00 0.00 H new ATOM 0 HB VAL A 22 -4.125 13.120 -3.570 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -2.007 14.047 -4.432 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.047 13.436 -5.741 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.926 15.187 -5.444 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.993 14.958 -2.376 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.957 16.139 -3.294 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -4.759 15.019 -2.167 1.00 0.00 H new ATOM 353 N LEU A 23 -5.760 12.123 -5.659 1.00 0.00 N ATOM 354 CA LEU A 23 -5.842 11.107 -6.700 1.00 0.00 C ATOM 355 C LEU A 23 -7.019 11.386 -7.628 1.00 0.00 C ATOM 356 O LEU A 23 -6.951 11.127 -8.830 1.00 0.00 O ATOM 357 CB LEU A 23 -5.983 9.718 -6.071 1.00 0.00 C ATOM 358 CG LEU A 23 -4.902 9.358 -5.047 1.00 0.00 C ATOM 359 CD1 LEU A 23 -5.124 7.961 -4.496 1.00 0.00 C ATOM 360 CD2 LEU A 23 -3.518 9.466 -5.667 1.00 0.00 C ATOM 0 H LEU A 23 -5.900 11.767 -4.713 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.924 11.137 -7.287 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.957 9.652 -5.587 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.971 8.973 -6.866 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.970 10.068 -4.223 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.344 7.728 -3.771 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.098 7.912 -4.009 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.089 7.238 -5.311 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.765 9.206 -4.923 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.444 8.782 -6.513 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.352 10.487 -6.010 1.00 0.00 H new ATOM 372 N GLU A 24 -8.084 11.931 -7.055 1.00 0.00 N ATOM 373 CA GLU A 24 -9.284 12.271 -7.805 1.00 0.00 C ATOM 374 C GLU A 24 -8.981 13.390 -8.804 1.00 0.00 C ATOM 375 O GLU A 24 -9.311 13.282 -9.984 1.00 0.00 O ATOM 376 CB GLU A 24 -10.391 12.694 -6.831 1.00 0.00 C ATOM 377 CG GLU A 24 -11.810 12.484 -7.346 1.00 0.00 C ATOM 378 CD GLU A 24 -12.221 13.474 -8.415 1.00 0.00 C ATOM 379 OE1 GLU A 24 -12.576 14.619 -8.063 1.00 0.00 O ATOM 380 OE2 GLU A 24 -12.220 13.105 -9.608 1.00 0.00 O ATOM 0 H GLU A 24 -8.140 12.149 -6.060 1.00 0.00 H new ATOM 0 HA GLU A 24 -9.623 11.400 -8.365 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -10.271 12.137 -5.902 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -10.260 13.749 -6.589 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -11.896 11.474 -7.746 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -12.505 12.556 -6.510 1.00 0.00 H new ATOM 387 N LYS A 25 -8.322 14.447 -8.328 1.00 0.00 N ATOM 388 CA LYS A 25 -7.974 15.593 -9.175 1.00 0.00 C ATOM 389 C LYS A 25 -7.150 15.165 -10.384 1.00 0.00 C ATOM 390 O LYS A 25 -7.301 15.710 -11.477 1.00 0.00 O ATOM 391 CB LYS A 25 -7.173 16.631 -8.388 1.00 0.00 C ATOM 392 CG LYS A 25 -7.889 17.184 -7.171 1.00 0.00 C ATOM 393 CD LYS A 25 -7.059 18.259 -6.483 1.00 0.00 C ATOM 394 CE LYS A 25 -5.650 17.771 -6.174 1.00 0.00 C ATOM 395 NZ LYS A 25 -4.865 18.791 -5.435 1.00 0.00 N ATOM 0 H LYS A 25 -8.017 14.535 -7.359 1.00 0.00 H new ATOM 0 HA LYS A 25 -8.914 16.028 -9.515 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -6.233 16.181 -8.068 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -6.920 17.457 -9.052 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -8.851 17.600 -7.470 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -8.095 16.376 -6.469 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -7.007 19.142 -7.120 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -7.550 18.562 -5.558 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -5.703 16.856 -5.585 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -5.139 17.522 -7.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -3.978 18.367 -5.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -4.648 19.588 -6.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -5.418 19.134 -4.624 1.00 0.00 H new ATOM 409 N HIS A 26 -6.273 14.194 -10.177 1.00 0.00 N ATOM 410 CA HIS A 26 -5.363 13.753 -11.229 1.00 0.00 C ATOM 411 C HIS A 26 -5.940 12.574 -12.006 1.00 0.00 C ATOM 412 O HIS A 26 -5.335 12.110 -12.974 1.00 0.00 O ATOM 413 CB HIS A 26 -4.003 13.369 -10.642 1.00 0.00 C ATOM 414 CG HIS A 26 -3.240 14.525 -10.063 1.00 0.00 C ATOM 415 ND1 HIS A 26 -2.332 15.273 -10.787 1.00 0.00 N ATOM 416 CD2 HIS A 26 -3.246 15.054 -8.817 1.00 0.00 C ATOM 417 CE1 HIS A 26 -1.816 16.208 -10.008 1.00 0.00 C ATOM 418 NE2 HIS A 26 -2.355 16.095 -8.811 1.00 0.00 N ATOM 0 H HIS A 26 -6.171 13.696 -9.293 1.00 0.00 H new ATOM 0 HA HIS A 26 -5.232 14.588 -11.917 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -4.153 12.620 -9.865 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -3.400 12.903 -11.422 1.00 0.00 H new ATOM 0 HD1 HIS A 26 -2.097 15.127 -11.769 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -3.843 14.718 -7.982 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -1.078 16.940 -10.302 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -2.143 16.688 -8.008 1.00 0.00 H new ATOM 427 N ALA A 27 -7.112 12.103 -11.574 1.00 0.00 N ATOM 428 CA ALA A 27 -7.793 10.976 -12.211 1.00 0.00 C ATOM 429 C ALA A 27 -6.884 9.752 -12.281 1.00 0.00 C ATOM 430 O ALA A 27 -6.787 9.090 -13.318 1.00 0.00 O ATOM 431 CB ALA A 27 -8.278 11.368 -13.597 1.00 0.00 C ATOM 0 H ALA A 27 -7.614 12.491 -10.775 1.00 0.00 H new ATOM 0 HA ALA A 27 -8.658 10.712 -11.602 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -8.783 10.520 -14.059 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -8.973 12.204 -13.516 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -7.427 11.662 -14.211 1.00 0.00 H new ATOM 437 N ALA A 28 -6.242 9.451 -11.161 1.00 0.00 N ATOM 438 CA ALA A 28 -5.287 8.354 -11.086 1.00 0.00 C ATOM 439 C ALA A 28 -5.956 7.006 -11.329 1.00 0.00 C ATOM 440 O ALA A 28 -6.984 6.691 -10.732 1.00 0.00 O ATOM 441 CB ALA A 28 -4.591 8.358 -9.736 1.00 0.00 C ATOM 0 H ALA A 28 -6.367 9.957 -10.284 1.00 0.00 H new ATOM 0 HA ALA A 28 -4.548 8.503 -11.873 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -3.879 7.534 -9.691 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -4.062 9.302 -9.602 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -5.331 8.242 -8.945 1.00 0.00 H new ATOM 447 N SER A 29 -5.364 6.219 -12.215 1.00 0.00 N ATOM 448 CA SER A 29 -5.848 4.876 -12.497 1.00 0.00 C ATOM 449 C SER A 29 -5.386 3.910 -11.402 1.00 0.00 C ATOM 450 O SER A 29 -4.437 4.214 -10.678 1.00 0.00 O ATOM 451 CB SER A 29 -5.334 4.430 -13.864 1.00 0.00 C ATOM 452 OG SER A 29 -5.701 5.364 -14.867 1.00 0.00 O ATOM 0 H SER A 29 -4.542 6.490 -12.754 1.00 0.00 H new ATOM 0 HA SER A 29 -6.938 4.876 -12.512 1.00 0.00 H new ATOM 0 HB2 SER A 29 -4.249 4.328 -13.835 1.00 0.00 H new ATOM 0 HB3 SER A 29 -5.740 3.448 -14.108 1.00 0.00 H new ATOM 0 HG SER A 29 -5.361 5.062 -15.735 1.00 0.00 H new ATOM 458 N PRO A 30 -6.058 2.745 -11.260 1.00 0.00 N ATOM 459 CA PRO A 30 -5.768 1.761 -10.207 1.00 0.00 C ATOM 460 C PRO A 30 -4.276 1.461 -10.018 1.00 0.00 C ATOM 461 O PRO A 30 -3.792 1.454 -8.884 1.00 0.00 O ATOM 462 CB PRO A 30 -6.516 0.496 -10.658 1.00 0.00 C ATOM 463 CG PRO A 30 -7.095 0.807 -12.001 1.00 0.00 C ATOM 464 CD PRO A 30 -7.179 2.302 -12.099 1.00 0.00 C ATOM 0 HA PRO A 30 -6.084 2.143 -9.237 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -5.839 -0.357 -10.714 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -7.300 0.234 -9.948 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -6.469 0.402 -12.796 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -8.081 0.356 -12.111 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -7.075 2.647 -13.128 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -8.133 2.679 -11.731 1.00 0.00 H new ATOM 472 N GLU A 31 -3.549 1.215 -11.108 1.00 0.00 N ATOM 473 CA GLU A 31 -2.124 0.900 -11.000 1.00 0.00 C ATOM 474 C GLU A 31 -1.364 2.081 -10.405 1.00 0.00 C ATOM 475 O GLU A 31 -0.487 1.908 -9.561 1.00 0.00 O ATOM 476 CB GLU A 31 -1.509 0.538 -12.355 1.00 0.00 C ATOM 477 CG GLU A 31 -2.353 -0.398 -13.195 1.00 0.00 C ATOM 478 CD GLU A 31 -3.244 0.355 -14.155 1.00 0.00 C ATOM 479 OE1 GLU A 31 -4.340 0.790 -13.745 1.00 0.00 O ATOM 480 OE2 GLU A 31 -2.843 0.528 -15.325 1.00 0.00 O ATOM 0 H GLU A 31 -3.915 1.227 -12.060 1.00 0.00 H new ATOM 0 HA GLU A 31 -2.039 0.033 -10.345 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -1.335 1.455 -12.918 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -0.535 0.078 -12.187 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -1.702 -1.070 -13.755 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -2.966 -1.019 -12.542 1.00 0.00 H new ATOM 487 N LEU A 32 -1.721 3.282 -10.844 1.00 0.00 N ATOM 488 CA LEU A 32 -1.094 4.503 -10.357 1.00 0.00 C ATOM 489 C LEU A 32 -1.483 4.760 -8.904 1.00 0.00 C ATOM 490 O LEU A 32 -0.716 5.344 -8.142 1.00 0.00 O ATOM 491 CB LEU A 32 -1.493 5.690 -11.242 1.00 0.00 C ATOM 492 CG LEU A 32 -0.867 7.037 -10.870 1.00 0.00 C ATOM 493 CD1 LEU A 32 0.650 6.932 -10.814 1.00 0.00 C ATOM 494 CD2 LEU A 32 -1.287 8.104 -11.868 1.00 0.00 C ATOM 0 H LEU A 32 -2.448 3.436 -11.543 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.012 4.384 -10.404 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.224 5.458 -12.272 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -2.578 5.794 -11.211 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.225 7.320 -9.880 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.072 7.901 -10.548 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.936 6.194 -10.065 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.030 6.626 -11.789 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.836 9.057 -11.593 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.954 7.820 -12.866 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.373 8.201 -11.861 1.00 0.00 H new ATOM 506 N THR A 33 -2.665 4.302 -8.522 1.00 0.00 N ATOM 507 CA THR A 33 -3.125 4.444 -7.151 1.00 0.00 C ATOM 508 C THR A 33 -2.222 3.652 -6.205 1.00 0.00 C ATOM 509 O THR A 33 -1.765 4.168 -5.181 1.00 0.00 O ATOM 510 CB THR A 33 -4.579 3.965 -7.001 1.00 0.00 C ATOM 511 OG1 THR A 33 -5.393 4.549 -8.025 1.00 0.00 O ATOM 512 CG2 THR A 33 -5.133 4.346 -5.640 1.00 0.00 C ATOM 0 H THR A 33 -3.322 3.829 -9.142 1.00 0.00 H new ATOM 0 HA THR A 33 -3.082 5.502 -6.892 1.00 0.00 H new ATOM 0 HB THR A 33 -4.593 2.879 -7.095 1.00 0.00 H new ATOM 0 HG1 THR A 33 -5.076 4.252 -8.904 1.00 0.00 H new ATOM 0 HG21 THR A 33 -6.162 3.998 -5.556 1.00 0.00 H new ATOM 0 HG22 THR A 33 -4.529 3.885 -4.859 1.00 0.00 H new ATOM 0 HG23 THR A 33 -5.106 5.430 -5.527 1.00 0.00 H new ATOM 520 N LEU A 34 -1.940 2.403 -6.567 1.00 0.00 N ATOM 521 CA LEU A 34 -1.041 1.576 -5.778 1.00 0.00 C ATOM 522 C LEU A 34 0.406 1.969 -6.016 1.00 0.00 C ATOM 523 O LEU A 34 1.276 1.660 -5.208 1.00 0.00 O ATOM 524 CB LEU A 34 -1.228 0.091 -6.077 1.00 0.00 C ATOM 525 CG LEU A 34 -2.368 -0.584 -5.319 1.00 0.00 C ATOM 526 CD1 LEU A 34 -3.704 -0.289 -5.972 1.00 0.00 C ATOM 527 CD2 LEU A 34 -2.122 -2.077 -5.224 1.00 0.00 C ATOM 0 H LEU A 34 -2.320 1.947 -7.396 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.290 1.746 -4.730 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.402 -0.029 -7.146 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -0.299 -0.430 -5.845 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.401 -0.177 -4.308 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -4.499 -0.782 -5.412 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.877 0.787 -5.977 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.698 -0.660 -6.997 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.942 -2.547 -4.681 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.061 -2.500 -6.227 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -1.186 -2.259 -4.696 1.00 0.00 H new ATOM 539 N MET A 35 0.666 2.632 -7.135 1.00 0.00 N ATOM 540 CA MET A 35 1.981 3.206 -7.389 1.00 0.00 C ATOM 541 C MET A 35 2.328 4.173 -6.272 1.00 0.00 C ATOM 542 O MET A 35 3.410 4.119 -5.689 1.00 0.00 O ATOM 543 CB MET A 35 1.992 3.951 -8.727 1.00 0.00 C ATOM 544 CG MET A 35 3.314 4.635 -9.039 1.00 0.00 C ATOM 545 SD MET A 35 4.561 3.487 -9.644 1.00 0.00 S ATOM 546 CE MET A 35 3.821 3.023 -11.206 1.00 0.00 C ATOM 0 H MET A 35 -0.014 2.785 -7.880 1.00 0.00 H new ATOM 0 HA MET A 35 2.716 2.402 -7.429 1.00 0.00 H new ATOM 0 HB2 MET A 35 1.761 3.247 -9.526 1.00 0.00 H new ATOM 0 HB3 MET A 35 1.199 4.699 -8.722 1.00 0.00 H new ATOM 0 HG2 MET A 35 3.149 5.413 -9.785 1.00 0.00 H new ATOM 0 HG3 MET A 35 3.685 5.128 -8.140 1.00 0.00 H new ATOM 0 HE1 MET A 35 4.605 2.764 -11.917 1.00 0.00 H new ATOM 0 HE2 MET A 35 3.167 2.164 -11.058 1.00 0.00 H new ATOM 0 HE3 MET A 35 3.240 3.859 -11.596 1.00 0.00 H new ATOM 556 N ILE A 36 1.381 5.048 -5.971 1.00 0.00 N ATOM 557 CA ILE A 36 1.546 6.025 -4.913 1.00 0.00 C ATOM 558 C ILE A 36 1.705 5.331 -3.565 1.00 0.00 C ATOM 559 O ILE A 36 2.683 5.561 -2.857 1.00 0.00 O ATOM 560 CB ILE A 36 0.346 6.997 -4.851 1.00 0.00 C ATOM 561 CG1 ILE A 36 0.087 7.620 -6.227 1.00 0.00 C ATOM 562 CG2 ILE A 36 0.587 8.079 -3.807 1.00 0.00 C ATOM 563 CD1 ILE A 36 1.295 8.309 -6.828 1.00 0.00 C ATOM 0 H ILE A 36 0.483 5.099 -6.452 1.00 0.00 H new ATOM 0 HA ILE A 36 2.446 6.598 -5.136 1.00 0.00 H new ATOM 0 HB ILE A 36 -0.540 6.432 -4.559 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -0.251 6.840 -6.910 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -0.725 8.342 -6.141 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -0.269 8.754 -3.778 1.00 0.00 H new ATOM 0 HG22 ILE A 36 0.718 7.617 -2.828 1.00 0.00 H new ATOM 0 HG23 ILE A 36 1.484 8.641 -4.066 1.00 0.00 H new ATOM 0 HD11 ILE A 36 1.031 8.724 -7.801 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.622 9.112 -6.168 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.103 7.587 -6.949 1.00 0.00 H new ATOM 575 N ALA A 37 0.754 4.459 -3.238 1.00 0.00 N ATOM 576 CA ALA A 37 0.756 3.754 -1.958 1.00 0.00 C ATOM 577 C ALA A 37 2.020 2.918 -1.774 1.00 0.00 C ATOM 578 O ALA A 37 2.626 2.931 -0.702 1.00 0.00 O ATOM 579 CB ALA A 37 -0.480 2.879 -1.837 1.00 0.00 C ATOM 0 H ALA A 37 -0.031 4.223 -3.845 1.00 0.00 H new ATOM 0 HA ALA A 37 0.741 4.504 -1.167 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -0.466 2.360 -0.879 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -1.373 3.500 -1.900 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -0.489 2.148 -2.646 1.00 0.00 H new ATOM 585 N GLY A 38 2.403 2.182 -2.814 1.00 0.00 N ATOM 586 CA GLY A 38 3.642 1.428 -2.781 1.00 0.00 C ATOM 587 C GLY A 38 4.843 2.298 -2.466 1.00 0.00 C ATOM 588 O GLY A 38 5.647 1.961 -1.599 1.00 0.00 O ATOM 0 H GLY A 38 1.874 2.095 -3.682 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.563 0.639 -2.034 1.00 0.00 H new ATOM 0 HA3 GLY A 38 3.793 0.941 -3.744 1.00 0.00 H new ATOM 592 N ASN A 39 4.948 3.432 -3.155 1.00 0.00 N ATOM 593 CA ASN A 39 6.049 4.370 -2.929 1.00 0.00 C ATOM 594 C ASN A 39 6.010 4.924 -1.511 1.00 0.00 C ATOM 595 O ASN A 39 7.054 5.191 -0.915 1.00 0.00 O ATOM 596 CB ASN A 39 6.016 5.518 -3.945 1.00 0.00 C ATOM 597 CG ASN A 39 6.731 5.181 -5.242 1.00 0.00 C ATOM 598 OD1 ASN A 39 7.927 5.427 -5.386 1.00 0.00 O ATOM 599 ND2 ASN A 39 6.006 4.624 -6.199 1.00 0.00 N ATOM 0 H ASN A 39 4.286 3.725 -3.874 1.00 0.00 H new ATOM 0 HA ASN A 39 6.981 3.820 -3.062 1.00 0.00 H new ATOM 0 HB2 ASN A 39 4.979 5.773 -4.164 1.00 0.00 H new ATOM 0 HB3 ASN A 39 6.475 6.402 -3.502 1.00 0.00 H new ATOM 0 HD21 ASN A 39 6.437 4.384 -7.092 1.00 0.00 H new ATOM 0 HD22 ASN A 39 5.016 4.434 -6.044 1.00 0.00 H new ATOM 606 N ILE A 40 4.802 5.094 -0.972 1.00 0.00 N ATOM 607 CA ILE A 40 4.638 5.522 0.413 1.00 0.00 C ATOM 608 C ILE A 40 5.311 4.521 1.347 1.00 0.00 C ATOM 609 O ILE A 40 6.165 4.889 2.157 1.00 0.00 O ATOM 610 CB ILE A 40 3.144 5.653 0.810 1.00 0.00 C ATOM 611 CG1 ILE A 40 2.427 6.671 -0.083 1.00 0.00 C ATOM 612 CG2 ILE A 40 3.009 6.045 2.275 1.00 0.00 C ATOM 613 CD1 ILE A 40 3.000 8.070 -0.015 1.00 0.00 C ATOM 0 H ILE A 40 3.927 4.942 -1.474 1.00 0.00 H new ATOM 0 HA ILE A 40 5.103 6.504 0.505 1.00 0.00 H new ATOM 0 HB ILE A 40 2.672 4.681 0.667 1.00 0.00 H new ATOM 0 HG12 ILE A 40 2.468 6.324 -1.115 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.375 6.708 0.200 1.00 0.00 H new ATOM 0 HG21 ILE A 40 1.953 6.132 2.533 1.00 0.00 H new ATOM 0 HG22 ILE A 40 3.474 5.282 2.900 1.00 0.00 H new ATOM 0 HG23 ILE A 40 3.503 7.002 2.443 1.00 0.00 H new ATOM 0 HD11 ILE A 40 2.435 8.727 -0.676 1.00 0.00 H new ATOM 0 HD12 ILE A 40 2.934 8.441 1.008 1.00 0.00 H new ATOM 0 HD13 ILE A 40 4.044 8.051 -0.328 1.00 0.00 H new ATOM 625 N ALA A 41 4.931 3.253 1.206 1.00 0.00 N ATOM 626 CA ALA A 41 5.495 2.178 2.013 1.00 0.00 C ATOM 627 C ALA A 41 7.009 2.095 1.837 1.00 0.00 C ATOM 628 O ALA A 41 7.745 1.943 2.813 1.00 0.00 O ATOM 629 CB ALA A 41 4.846 0.852 1.650 1.00 0.00 C ATOM 0 H ALA A 41 4.228 2.945 0.534 1.00 0.00 H new ATOM 0 HA ALA A 41 5.289 2.396 3.061 1.00 0.00 H new ATOM 0 HB1 ALA A 41 5.276 0.057 2.260 1.00 0.00 H new ATOM 0 HB2 ALA A 41 3.773 0.910 1.833 1.00 0.00 H new ATOM 0 HB3 ALA A 41 5.023 0.637 0.596 1.00 0.00 H new ATOM 635 N THR A 42 7.466 2.201 0.591 1.00 0.00 N ATOM 636 CA THR A 42 8.892 2.177 0.294 1.00 0.00 C ATOM 637 C THR A 42 9.618 3.307 1.024 1.00 0.00 C ATOM 638 O THR A 42 10.641 3.078 1.663 1.00 0.00 O ATOM 639 CB THR A 42 9.156 2.284 -1.223 1.00 0.00 C ATOM 640 OG1 THR A 42 8.519 1.199 -1.905 1.00 0.00 O ATOM 641 CG2 THR A 42 10.647 2.259 -1.528 1.00 0.00 C ATOM 0 H THR A 42 6.867 2.304 -0.228 1.00 0.00 H new ATOM 0 HA THR A 42 9.278 1.220 0.644 1.00 0.00 H new ATOM 0 HB THR A 42 8.747 3.234 -1.567 1.00 0.00 H new ATOM 0 HG1 THR A 42 9.187 0.520 -2.135 1.00 0.00 H new ATOM 0 HG21 THR A 42 10.800 2.336 -2.605 1.00 0.00 H new ATOM 0 HG22 THR A 42 11.134 3.098 -1.032 1.00 0.00 H new ATOM 0 HG23 THR A 42 11.077 1.325 -1.167 1.00 0.00 H new ATOM 649 N ASN A 43 9.073 4.518 0.951 1.00 0.00 N ATOM 650 CA ASN A 43 9.683 5.673 1.611 1.00 0.00 C ATOM 651 C ASN A 43 9.718 5.471 3.124 1.00 0.00 C ATOM 652 O ASN A 43 10.662 5.894 3.798 1.00 0.00 O ATOM 653 CB ASN A 43 8.929 6.962 1.260 1.00 0.00 C ATOM 654 CG ASN A 43 9.551 8.193 1.895 1.00 0.00 C ATOM 655 OD1 ASN A 43 9.139 8.634 2.971 1.00 0.00 O ATOM 656 ND2 ASN A 43 10.565 8.746 1.248 1.00 0.00 N ATOM 0 H ASN A 43 8.213 4.727 0.444 1.00 0.00 H new ATOM 0 HA ASN A 43 10.708 5.767 1.251 1.00 0.00 H new ATOM 0 HB2 ASN A 43 8.912 7.085 0.177 1.00 0.00 H new ATOM 0 HB3 ASN A 43 7.893 6.873 1.587 1.00 0.00 H new ATOM 0 HD21 ASN A 43 11.033 9.564 1.637 1.00 0.00 H new ATOM 0 HD22 ASN A 43 10.878 8.354 0.360 1.00 0.00 H new ATOM 663 N VAL A 44 8.699 4.805 3.653 1.00 0.00 N ATOM 664 CA VAL A 44 8.685 4.440 5.061 1.00 0.00 C ATOM 665 C VAL A 44 9.820 3.465 5.355 1.00 0.00 C ATOM 666 O VAL A 44 10.573 3.648 6.307 1.00 0.00 O ATOM 667 CB VAL A 44 7.340 3.814 5.492 1.00 0.00 C ATOM 668 CG1 VAL A 44 7.392 3.381 6.951 1.00 0.00 C ATOM 669 CG2 VAL A 44 6.197 4.792 5.272 1.00 0.00 C ATOM 0 H VAL A 44 7.875 4.508 3.129 1.00 0.00 H new ATOM 0 HA VAL A 44 8.820 5.357 5.634 1.00 0.00 H new ATOM 0 HB VAL A 44 7.164 2.933 4.876 1.00 0.00 H new ATOM 0 HG11 VAL A 44 6.435 2.943 7.235 1.00 0.00 H new ATOM 0 HG12 VAL A 44 8.183 2.643 7.083 1.00 0.00 H new ATOM 0 HG13 VAL A 44 7.595 4.247 7.581 1.00 0.00 H new ATOM 0 HG21 VAL A 44 5.259 4.331 5.582 1.00 0.00 H new ATOM 0 HG22 VAL A 44 6.371 5.693 5.861 1.00 0.00 H new ATOM 0 HG23 VAL A 44 6.141 5.054 4.215 1.00 0.00 H new ATOM 679 N LEU A 45 9.961 2.454 4.508 1.00 0.00 N ATOM 680 CA LEU A 45 11.029 1.471 4.660 1.00 0.00 C ATOM 681 C LEU A 45 12.402 2.116 4.463 1.00 0.00 C ATOM 682 O LEU A 45 13.414 1.616 4.958 1.00 0.00 O ATOM 683 CB LEU A 45 10.843 0.317 3.668 1.00 0.00 C ATOM 684 CG LEU A 45 9.545 -0.478 3.821 1.00 0.00 C ATOM 685 CD1 LEU A 45 9.441 -1.543 2.740 1.00 0.00 C ATOM 686 CD2 LEU A 45 9.460 -1.108 5.202 1.00 0.00 C ATOM 0 H LEU A 45 9.350 2.292 3.708 1.00 0.00 H new ATOM 0 HA LEU A 45 10.978 1.076 5.675 1.00 0.00 H new ATOM 0 HB2 LEU A 45 10.885 0.720 2.656 1.00 0.00 H new ATOM 0 HB3 LEU A 45 11.684 -0.369 3.773 1.00 0.00 H new ATOM 0 HG LEU A 45 8.707 0.210 3.708 1.00 0.00 H new ATOM 0 HD11 LEU A 45 8.511 -2.098 2.865 1.00 0.00 H new ATOM 0 HD12 LEU A 45 9.451 -1.068 1.759 1.00 0.00 H new ATOM 0 HD13 LEU A 45 10.286 -2.227 2.821 1.00 0.00 H new ATOM 0 HD21 LEU A 45 8.529 -1.669 5.290 1.00 0.00 H new ATOM 0 HD22 LEU A 45 10.304 -1.782 5.347 1.00 0.00 H new ATOM 0 HD23 LEU A 45 9.485 -0.326 5.961 1.00 0.00 H new ATOM 698 N ASN A 46 12.428 3.232 3.746 1.00 0.00 N ATOM 699 CA ASN A 46 13.672 3.941 3.468 1.00 0.00 C ATOM 700 C ASN A 46 14.126 4.778 4.658 1.00 0.00 C ATOM 701 O ASN A 46 15.279 4.690 5.079 1.00 0.00 O ATOM 702 CB ASN A 46 13.527 4.851 2.240 1.00 0.00 C ATOM 703 CG ASN A 46 13.455 4.094 0.926 1.00 0.00 C ATOM 704 OD1 ASN A 46 12.820 4.546 -0.026 1.00 0.00 O ATOM 705 ND2 ASN A 46 14.113 2.949 0.858 1.00 0.00 N ATOM 0 H ASN A 46 11.598 3.668 3.344 1.00 0.00 H new ATOM 0 HA ASN A 46 14.426 3.180 3.269 1.00 0.00 H new ATOM 0 HB2 ASN A 46 12.627 5.456 2.351 1.00 0.00 H new ATOM 0 HB3 ASN A 46 14.371 5.539 2.207 1.00 0.00 H new ATOM 0 HD21 ASN A 46 14.106 2.407 -0.006 1.00 0.00 H new ATOM 0 HD22 ASN A 46 14.628 2.608 1.670 1.00 0.00 H new ATOM 712 N GLN A 47 13.229 5.602 5.195 1.00 0.00 N ATOM 713 CA GLN A 47 13.630 6.592 6.196 1.00 0.00 C ATOM 714 C GLN A 47 12.696 6.648 7.407 1.00 0.00 C ATOM 715 O GLN A 47 13.023 7.281 8.409 1.00 0.00 O ATOM 716 CB GLN A 47 13.692 7.977 5.545 1.00 0.00 C ATOM 717 CG GLN A 47 14.756 8.103 4.466 1.00 0.00 C ATOM 718 CD GLN A 47 14.589 9.354 3.629 1.00 0.00 C ATOM 719 OE1 GLN A 47 15.112 10.415 3.961 1.00 0.00 O ATOM 720 NE2 GLN A 47 13.861 9.236 2.529 1.00 0.00 N ATOM 0 H GLN A 47 12.236 5.607 4.960 1.00 0.00 H new ATOM 0 HA GLN A 47 14.609 6.285 6.564 1.00 0.00 H new ATOM 0 HB2 GLN A 47 12.719 8.208 5.111 1.00 0.00 H new ATOM 0 HB3 GLN A 47 13.881 8.723 6.317 1.00 0.00 H new ATOM 0 HG2 GLN A 47 15.742 8.110 4.931 1.00 0.00 H new ATOM 0 HG3 GLN A 47 14.716 7.228 3.817 1.00 0.00 H new ATOM 0 HE21 GLN A 47 13.443 8.337 2.288 1.00 0.00 H new ATOM 0 HE22 GLN A 47 13.718 10.044 1.923 1.00 0.00 H new ATOM 729 N ARG A 48 11.552 5.986 7.340 1.00 0.00 N ATOM 730 CA ARG A 48 10.531 6.153 8.375 1.00 0.00 C ATOM 731 C ARG A 48 10.360 4.894 9.224 1.00 0.00 C ATOM 732 O ARG A 48 9.344 4.731 9.896 1.00 0.00 O ATOM 733 CB ARG A 48 9.183 6.515 7.745 1.00 0.00 C ATOM 734 CG ARG A 48 9.216 7.741 6.848 1.00 0.00 C ATOM 735 CD ARG A 48 7.826 8.079 6.331 1.00 0.00 C ATOM 736 NE ARG A 48 7.844 9.168 5.362 1.00 0.00 N ATOM 737 CZ ARG A 48 7.028 10.219 5.411 1.00 0.00 C ATOM 738 NH1 ARG A 48 6.125 10.322 6.380 1.00 0.00 N ATOM 739 NH2 ARG A 48 7.108 11.160 4.482 1.00 0.00 N ATOM 0 H ARG A 48 11.304 5.336 6.594 1.00 0.00 H new ATOM 0 HA ARG A 48 10.870 6.961 9.023 1.00 0.00 H new ATOM 0 HB2 ARG A 48 8.828 5.664 7.163 1.00 0.00 H new ATOM 0 HB3 ARG A 48 8.457 6.682 8.541 1.00 0.00 H new ATOM 0 HG2 ARG A 48 9.618 8.590 7.402 1.00 0.00 H new ATOM 0 HG3 ARG A 48 9.887 7.562 6.007 1.00 0.00 H new ATOM 0 HD2 ARG A 48 7.387 7.194 5.871 1.00 0.00 H new ATOM 0 HD3 ARG A 48 7.186 8.353 7.170 1.00 0.00 H new ATOM 0 HE ARG A 48 8.522 9.122 4.601 1.00 0.00 H new ATOM 0 HH11 ARG A 48 6.054 9.594 7.091 1.00 0.00 H new ATOM 0 HH12 ARG A 48 5.502 11.129 6.413 1.00 0.00 H new ATOM 0 HH21 ARG A 48 7.794 11.078 3.731 1.00 0.00 H new ATOM 0 HH22 ARG A 48 6.484 11.966 4.517 1.00 0.00 H new ATOM 753 N VAL A 49 11.348 4.014 9.218 1.00 0.00 N ATOM 754 CA VAL A 49 11.223 2.753 9.936 1.00 0.00 C ATOM 755 C VAL A 49 12.586 2.282 10.453 1.00 0.00 C ATOM 756 O VAL A 49 13.612 2.904 10.173 1.00 0.00 O ATOM 757 CB VAL A 49 10.592 1.673 9.028 1.00 0.00 C ATOM 758 CG1 VAL A 49 11.602 1.150 8.027 1.00 0.00 C ATOM 759 CG2 VAL A 49 9.989 0.539 9.843 1.00 0.00 C ATOM 0 H VAL A 49 12.235 4.145 8.731 1.00 0.00 H new ATOM 0 HA VAL A 49 10.569 2.915 10.793 1.00 0.00 H new ATOM 0 HB VAL A 49 9.779 2.143 8.474 1.00 0.00 H new ATOM 0 HG11 VAL A 49 11.134 0.391 7.400 1.00 0.00 H new ATOM 0 HG12 VAL A 49 11.953 1.971 7.402 1.00 0.00 H new ATOM 0 HG13 VAL A 49 12.447 0.711 8.558 1.00 0.00 H new ATOM 0 HG21 VAL A 49 9.555 -0.201 9.171 1.00 0.00 H new ATOM 0 HG22 VAL A 49 10.767 0.070 10.445 1.00 0.00 H new ATOM 0 HG23 VAL A 49 9.212 0.934 10.498 1.00 0.00 H new ATOM 769 N ALA A 50 12.588 1.186 11.202 1.00 0.00 N ATOM 770 CA ALA A 50 13.815 0.646 11.772 1.00 0.00 C ATOM 771 C ALA A 50 14.374 -0.470 10.899 1.00 0.00 C ATOM 772 O ALA A 50 13.620 -1.199 10.251 1.00 0.00 O ATOM 773 CB ALA A 50 13.563 0.142 13.184 1.00 0.00 C ATOM 0 H ALA A 50 11.749 0.652 11.429 1.00 0.00 H new ATOM 0 HA ALA A 50 14.554 1.446 11.813 1.00 0.00 H new ATOM 0 HB1 ALA A 50 14.488 -0.259 13.598 1.00 0.00 H new ATOM 0 HB2 ALA A 50 13.213 0.965 13.807 1.00 0.00 H new ATOM 0 HB3 ALA A 50 12.806 -0.642 13.161 1.00 0.00 H new ATOM 779 N ALA A 51 15.696 -0.593 10.887 1.00 0.00 N ATOM 780 CA ALA A 51 16.389 -1.589 10.072 1.00 0.00 C ATOM 781 C ALA A 51 15.863 -3.004 10.309 1.00 0.00 C ATOM 782 O ALA A 51 15.368 -3.646 9.380 1.00 0.00 O ATOM 783 CB ALA A 51 17.887 -1.535 10.343 1.00 0.00 C ATOM 0 H ALA A 51 16.320 -0.006 11.441 1.00 0.00 H new ATOM 0 HA ALA A 51 16.195 -1.344 9.028 1.00 0.00 H new ATOM 0 HB1 ALA A 51 18.395 -2.281 9.731 1.00 0.00 H new ATOM 0 HB2 ALA A 51 18.266 -0.543 10.095 1.00 0.00 H new ATOM 0 HB3 ALA A 51 18.074 -1.742 11.397 1.00 0.00 H new ATOM 789 N SER A 52 15.959 -3.481 11.545 1.00 0.00 N ATOM 790 CA SER A 52 15.553 -4.844 11.878 1.00 0.00 C ATOM 791 C SER A 52 14.039 -5.009 11.785 1.00 0.00 C ATOM 792 O SER A 52 13.529 -6.124 11.661 1.00 0.00 O ATOM 793 CB SER A 52 16.018 -5.203 13.288 1.00 0.00 C ATOM 794 OG SER A 52 17.415 -5.009 13.436 1.00 0.00 O ATOM 0 H SER A 52 16.315 -2.944 12.335 1.00 0.00 H new ATOM 0 HA SER A 52 16.019 -5.515 11.157 1.00 0.00 H new ATOM 0 HB2 SER A 52 15.485 -4.591 14.016 1.00 0.00 H new ATOM 0 HB3 SER A 52 15.769 -6.242 13.502 1.00 0.00 H new ATOM 0 HG SER A 52 17.683 -5.245 14.349 1.00 0.00 H new ATOM 800 N GLN A 53 13.326 -3.897 11.830 1.00 0.00 N ATOM 801 CA GLN A 53 11.876 -3.933 11.858 1.00 0.00 C ATOM 802 C GLN A 53 11.305 -3.955 10.441 1.00 0.00 C ATOM 803 O GLN A 53 10.158 -4.344 10.240 1.00 0.00 O ATOM 804 CB GLN A 53 11.335 -2.723 12.629 1.00 0.00 C ATOM 805 CG GLN A 53 9.915 -2.909 13.139 1.00 0.00 C ATOM 806 CD GLN A 53 9.799 -4.055 14.129 1.00 0.00 C ATOM 807 OE1 GLN A 53 9.554 -5.255 13.623 1.00 0.00 O flip ATOM 808 NE2 GLN A 53 9.934 -3.865 15.336 1.00 0.00 N flip ATOM 0 H GLN A 53 13.728 -2.960 11.848 1.00 0.00 H new ATOM 0 HA GLN A 53 11.564 -4.846 12.365 1.00 0.00 H new ATOM 0 HB2 GLN A 53 11.992 -2.519 13.475 1.00 0.00 H new ATOM 0 HB3 GLN A 53 11.367 -1.847 11.982 1.00 0.00 H new ATOM 0 HG2 GLN A 53 9.579 -1.987 13.614 1.00 0.00 H new ATOM 0 HG3 GLN A 53 9.250 -3.093 12.295 1.00 0.00 H new ATOM 0 HE21 GLN A 53 10.122 -2.926 15.687 1.00 0.00 H new ATOM 0 HE22 GLN A 53 9.858 -4.647 15.987 1.00 0.00 H new ATOM 817 N ARG A 54 12.129 -3.567 9.465 1.00 0.00 N ATOM 818 CA ARG A 54 11.688 -3.404 8.075 1.00 0.00 C ATOM 819 C ARG A 54 10.943 -4.622 7.533 1.00 0.00 C ATOM 820 O ARG A 54 9.843 -4.486 6.997 1.00 0.00 O ATOM 821 CB ARG A 54 12.879 -3.077 7.168 1.00 0.00 C ATOM 822 CG ARG A 54 13.011 -1.596 6.866 1.00 0.00 C ATOM 823 CD ARG A 54 14.157 -1.295 5.914 1.00 0.00 C ATOM 824 NE ARG A 54 15.460 -1.293 6.581 1.00 0.00 N ATOM 825 CZ ARG A 54 16.237 -0.213 6.674 1.00 0.00 C ATOM 826 NH1 ARG A 54 15.808 0.956 6.220 1.00 0.00 N ATOM 827 NH2 ARG A 54 17.437 -0.293 7.236 1.00 0.00 N ATOM 0 H ARG A 54 13.116 -3.358 9.613 1.00 0.00 H new ATOM 0 HA ARG A 54 10.983 -2.573 8.074 1.00 0.00 H new ATOM 0 HB2 ARG A 54 13.796 -3.428 7.642 1.00 0.00 H new ATOM 0 HB3 ARG A 54 12.775 -3.624 6.231 1.00 0.00 H new ATOM 0 HG2 ARG A 54 12.079 -1.232 6.434 1.00 0.00 H new ATOM 0 HG3 ARG A 54 13.164 -1.051 7.797 1.00 0.00 H new ATOM 0 HD2 ARG A 54 14.164 -2.036 5.115 1.00 0.00 H new ATOM 0 HD3 ARG A 54 13.991 -0.324 5.447 1.00 0.00 H new ATOM 0 HE ARG A 54 15.791 -2.164 6.997 1.00 0.00 H new ATOM 0 HH11 ARG A 54 14.882 1.031 5.799 1.00 0.00 H new ATOM 0 HH12 ARG A 54 16.404 1.781 6.292 1.00 0.00 H new ATOM 0 HH21 ARG A 54 17.771 -1.185 7.601 1.00 0.00 H new ATOM 0 HH22 ARG A 54 18.025 0.538 7.303 1.00 0.00 H new ATOM 841 N LYS A 55 11.530 -5.803 7.674 1.00 0.00 N ATOM 842 CA LYS A 55 10.926 -7.019 7.130 1.00 0.00 C ATOM 843 C LYS A 55 9.559 -7.288 7.762 1.00 0.00 C ATOM 844 O LYS A 55 8.596 -7.591 7.061 1.00 0.00 O ATOM 845 CB LYS A 55 11.859 -8.217 7.338 1.00 0.00 C ATOM 846 CG LYS A 55 11.239 -9.566 6.994 1.00 0.00 C ATOM 847 CD LYS A 55 10.770 -9.644 5.547 1.00 0.00 C ATOM 848 CE LYS A 55 10.182 -11.014 5.245 1.00 0.00 C ATOM 849 NZ LYS A 55 9.585 -11.091 3.885 1.00 0.00 N ATOM 0 H LYS A 55 12.417 -5.948 8.156 1.00 0.00 H new ATOM 0 HA LYS A 55 10.777 -6.872 6.060 1.00 0.00 H new ATOM 0 HB2 LYS A 55 12.752 -8.076 6.730 1.00 0.00 H new ATOM 0 HB3 LYS A 55 12.182 -8.234 8.379 1.00 0.00 H new ATOM 0 HG2 LYS A 55 11.969 -10.354 7.178 1.00 0.00 H new ATOM 0 HG3 LYS A 55 10.394 -9.753 7.656 1.00 0.00 H new ATOM 0 HD2 LYS A 55 10.023 -8.873 5.360 1.00 0.00 H new ATOM 0 HD3 LYS A 55 11.607 -9.446 4.877 1.00 0.00 H new ATOM 0 HE2 LYS A 55 10.962 -11.769 5.339 1.00 0.00 H new ATOM 0 HE3 LYS A 55 9.419 -11.250 5.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 9.199 -12.044 3.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 8.822 -10.390 3.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 10.317 -10.893 3.173 1.00 0.00 H new ATOM 863 N LEU A 56 9.479 -7.162 9.083 1.00 0.00 N ATOM 864 CA LEU A 56 8.231 -7.409 9.800 1.00 0.00 C ATOM 865 C LEU A 56 7.210 -6.322 9.466 1.00 0.00 C ATOM 866 O LEU A 56 6.016 -6.591 9.355 1.00 0.00 O ATOM 867 CB LEU A 56 8.502 -7.469 11.313 1.00 0.00 C ATOM 868 CG LEU A 56 7.339 -7.951 12.194 1.00 0.00 C ATOM 869 CD1 LEU A 56 7.874 -8.562 13.481 1.00 0.00 C ATOM 870 CD2 LEU A 56 6.394 -6.804 12.529 1.00 0.00 C ATOM 0 H LEU A 56 10.262 -6.891 9.678 1.00 0.00 H new ATOM 0 HA LEU A 56 7.818 -8.368 9.488 1.00 0.00 H new ATOM 0 HB2 LEU A 56 9.355 -8.127 11.482 1.00 0.00 H new ATOM 0 HB3 LEU A 56 8.795 -6.474 11.648 1.00 0.00 H new ATOM 0 HG LEU A 56 6.785 -8.706 11.635 1.00 0.00 H new ATOM 0 HD11 LEU A 56 7.041 -8.900 14.097 1.00 0.00 H new ATOM 0 HD12 LEU A 56 8.516 -9.410 13.242 1.00 0.00 H new ATOM 0 HD13 LEU A 56 8.449 -7.814 14.027 1.00 0.00 H new ATOM 0 HD21 LEU A 56 5.580 -7.173 13.153 1.00 0.00 H new ATOM 0 HD22 LEU A 56 6.940 -6.028 13.066 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.985 -6.389 11.608 1.00 0.00 H new ATOM 882 N ILE A 57 7.697 -5.101 9.297 1.00 0.00 N ATOM 883 CA ILE A 57 6.858 -3.968 8.930 1.00 0.00 C ATOM 884 C ILE A 57 6.213 -4.190 7.563 1.00 0.00 C ATOM 885 O ILE A 57 5.005 -4.005 7.403 1.00 0.00 O ATOM 886 CB ILE A 57 7.684 -2.658 8.950 1.00 0.00 C ATOM 887 CG1 ILE A 57 7.913 -2.211 10.395 1.00 0.00 C ATOM 888 CG2 ILE A 57 7.025 -1.545 8.149 1.00 0.00 C ATOM 889 CD1 ILE A 57 6.635 -1.946 11.167 1.00 0.00 C ATOM 0 H ILE A 57 8.683 -4.867 9.410 1.00 0.00 H new ATOM 0 HA ILE A 57 6.057 -3.878 9.664 1.00 0.00 H new ATOM 0 HB ILE A 57 8.642 -2.867 8.475 1.00 0.00 H new ATOM 0 HG12 ILE A 57 8.488 -2.977 10.915 1.00 0.00 H new ATOM 0 HG13 ILE A 57 8.519 -1.305 10.393 1.00 0.00 H new ATOM 0 HG21 ILE A 57 7.643 -0.649 8.195 1.00 0.00 H new ATOM 0 HG22 ILE A 57 6.917 -1.859 7.111 1.00 0.00 H new ATOM 0 HG23 ILE A 57 6.042 -1.329 8.567 1.00 0.00 H new ATOM 0 HD11 ILE A 57 6.881 -1.634 12.182 1.00 0.00 H new ATOM 0 HD12 ILE A 57 6.068 -1.158 10.672 1.00 0.00 H new ATOM 0 HD13 ILE A 57 6.036 -2.856 11.203 1.00 0.00 H new ATOM 901 N ALA A 58 7.015 -4.618 6.592 1.00 0.00 N ATOM 902 CA ALA A 58 6.506 -4.927 5.260 1.00 0.00 C ATOM 903 C ALA A 58 5.572 -6.134 5.307 1.00 0.00 C ATOM 904 O ALA A 58 4.548 -6.169 4.623 1.00 0.00 O ATOM 905 CB ALA A 58 7.657 -5.180 4.293 1.00 0.00 C ATOM 0 H ALA A 58 8.019 -4.759 6.703 1.00 0.00 H new ATOM 0 HA ALA A 58 5.938 -4.068 4.903 1.00 0.00 H new ATOM 0 HB1 ALA A 58 7.258 -5.409 3.305 1.00 0.00 H new ATOM 0 HB2 ALA A 58 8.285 -4.291 4.234 1.00 0.00 H new ATOM 0 HB3 ALA A 58 8.252 -6.021 4.648 1.00 0.00 H new ATOM 911 N GLU A 59 5.934 -7.115 6.129 1.00 0.00 N ATOM 912 CA GLU A 59 5.124 -8.314 6.318 1.00 0.00 C ATOM 913 C GLU A 59 3.751 -7.962 6.885 1.00 0.00 C ATOM 914 O GLU A 59 2.726 -8.382 6.351 1.00 0.00 O ATOM 915 CB GLU A 59 5.857 -9.292 7.248 1.00 0.00 C ATOM 916 CG GLU A 59 5.000 -10.440 7.770 1.00 0.00 C ATOM 917 CD GLU A 59 4.393 -11.291 6.673 1.00 0.00 C ATOM 918 OE1 GLU A 59 5.030 -11.458 5.612 1.00 0.00 O ATOM 919 OE2 GLU A 59 3.285 -11.830 6.882 1.00 0.00 O ATOM 0 H GLU A 59 6.792 -7.102 6.680 1.00 0.00 H new ATOM 0 HA GLU A 59 4.972 -8.789 5.349 1.00 0.00 H new ATOM 0 HB2 GLU A 59 6.711 -9.708 6.714 1.00 0.00 H new ATOM 0 HB3 GLU A 59 6.252 -8.736 8.098 1.00 0.00 H new ATOM 0 HG2 GLU A 59 5.609 -11.073 8.415 1.00 0.00 H new ATOM 0 HG3 GLU A 59 4.199 -10.033 8.388 1.00 0.00 H new ATOM 926 N LYS A 60 3.739 -7.179 7.957 1.00 0.00 N ATOM 927 CA LYS A 60 2.497 -6.801 8.618 1.00 0.00 C ATOM 928 C LYS A 60 1.619 -5.987 7.674 1.00 0.00 C ATOM 929 O LYS A 60 0.397 -6.113 7.685 1.00 0.00 O ATOM 930 CB LYS A 60 2.793 -5.997 9.890 1.00 0.00 C ATOM 931 CG LYS A 60 1.568 -5.753 10.760 1.00 0.00 C ATOM 932 CD LYS A 60 1.916 -4.986 12.027 1.00 0.00 C ATOM 933 CE LYS A 60 2.346 -3.560 11.724 1.00 0.00 C ATOM 934 NZ LYS A 60 2.741 -2.827 12.956 1.00 0.00 N ATOM 0 H LYS A 60 4.579 -6.793 8.388 1.00 0.00 H new ATOM 0 HA LYS A 60 1.963 -7.710 8.895 1.00 0.00 H new ATOM 0 HB2 LYS A 60 3.544 -6.526 10.476 1.00 0.00 H new ATOM 0 HB3 LYS A 60 3.225 -5.037 9.609 1.00 0.00 H new ATOM 0 HG2 LYS A 60 0.824 -5.196 10.191 1.00 0.00 H new ATOM 0 HG3 LYS A 60 1.116 -6.708 11.026 1.00 0.00 H new ATOM 0 HD2 LYS A 60 1.052 -4.972 12.692 1.00 0.00 H new ATOM 0 HD3 LYS A 60 2.717 -5.502 12.556 1.00 0.00 H new ATOM 0 HE2 LYS A 60 3.183 -3.574 11.026 1.00 0.00 H new ATOM 0 HE3 LYS A 60 1.529 -3.031 11.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 3.028 -1.859 12.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 1.935 -2.792 13.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 3.537 -3.317 13.411 1.00 0.00 H new ATOM 948 N PHE A 61 2.257 -5.165 6.852 1.00 0.00 N ATOM 949 CA PHE A 61 1.552 -4.347 5.877 1.00 0.00 C ATOM 950 C PHE A 61 0.905 -5.221 4.803 1.00 0.00 C ATOM 951 O PHE A 61 -0.289 -5.098 4.523 1.00 0.00 O ATOM 952 CB PHE A 61 2.524 -3.348 5.245 1.00 0.00 C ATOM 953 CG PHE A 61 1.917 -2.501 4.165 1.00 0.00 C ATOM 954 CD1 PHE A 61 0.913 -1.595 4.457 1.00 0.00 C ATOM 955 CD2 PHE A 61 2.360 -2.606 2.859 1.00 0.00 C ATOM 956 CE1 PHE A 61 0.365 -0.809 3.469 1.00 0.00 C ATOM 957 CE2 PHE A 61 1.811 -1.823 1.864 1.00 0.00 C ATOM 958 CZ PHE A 61 0.812 -0.924 2.169 1.00 0.00 C ATOM 0 H PHE A 61 3.270 -5.047 6.842 1.00 0.00 H new ATOM 0 HA PHE A 61 0.759 -3.799 6.385 1.00 0.00 H new ATOM 0 HB2 PHE A 61 2.917 -2.696 6.025 1.00 0.00 H new ATOM 0 HB3 PHE A 61 3.371 -3.894 4.830 1.00 0.00 H new ATOM 0 HD1 PHE A 61 0.555 -1.503 5.472 1.00 0.00 H new ATOM 0 HD2 PHE A 61 3.144 -3.308 2.615 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -0.415 -0.102 3.711 1.00 0.00 H new ATOM 0 HE2 PHE A 61 2.164 -1.915 0.847 1.00 0.00 H new ATOM 0 HZ PHE A 61 0.380 -0.311 1.392 1.00 0.00 H new ATOM 968 N ALA A 62 1.697 -6.109 4.214 1.00 0.00 N ATOM 969 CA ALA A 62 1.209 -7.021 3.186 1.00 0.00 C ATOM 970 C ALA A 62 0.130 -7.943 3.746 1.00 0.00 C ATOM 971 O ALA A 62 -0.867 -8.232 3.083 1.00 0.00 O ATOM 972 CB ALA A 62 2.366 -7.833 2.624 1.00 0.00 C ATOM 0 H ALA A 62 2.687 -6.217 4.433 1.00 0.00 H new ATOM 0 HA ALA A 62 0.765 -6.434 2.382 1.00 0.00 H new ATOM 0 HB1 ALA A 62 1.995 -8.512 1.857 1.00 0.00 H new ATOM 0 HB2 ALA A 62 3.104 -7.160 2.187 1.00 0.00 H new ATOM 0 HB3 ALA A 62 2.829 -8.409 3.425 1.00 0.00 H new ATOM 978 N GLN A 63 0.338 -8.392 4.977 1.00 0.00 N ATOM 979 CA GLN A 63 -0.613 -9.259 5.648 1.00 0.00 C ATOM 980 C GLN A 63 -1.908 -8.503 5.921 1.00 0.00 C ATOM 981 O GLN A 63 -2.993 -9.072 5.830 1.00 0.00 O ATOM 982 CB GLN A 63 -0.019 -9.776 6.957 1.00 0.00 C ATOM 983 CG GLN A 63 -0.851 -10.851 7.633 1.00 0.00 C ATOM 984 CD GLN A 63 -0.205 -11.371 8.903 1.00 0.00 C ATOM 985 OE1 GLN A 63 1.121 -11.388 8.934 1.00 0.00 O flip ATOM 986 NE2 GLN A 63 -0.891 -11.769 9.842 1.00 0.00 N flip ATOM 0 H GLN A 63 1.164 -8.166 5.532 1.00 0.00 H new ATOM 0 HA GLN A 63 -0.832 -10.109 5.002 1.00 0.00 H new ATOM 0 HB2 GLN A 63 0.977 -10.173 6.760 1.00 0.00 H new ATOM 0 HB3 GLN A 63 0.102 -8.939 7.645 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -1.836 -10.449 7.868 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -1.002 -11.679 6.940 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -1.909 -11.739 9.779 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -0.443 -12.129 10.684 1.00 0.00 H new ATOM 995 N ALA A 64 -1.788 -7.218 6.244 1.00 0.00 N ATOM 996 CA ALA A 64 -2.954 -6.373 6.471 1.00 0.00 C ATOM 997 C ALA A 64 -3.805 -6.291 5.211 1.00 0.00 C ATOM 998 O ALA A 64 -5.034 -6.314 5.280 1.00 0.00 O ATOM 999 CB ALA A 64 -2.536 -4.980 6.924 1.00 0.00 C ATOM 0 H ALA A 64 -0.894 -6.740 6.354 1.00 0.00 H new ATOM 0 HA ALA A 64 -3.550 -6.823 7.265 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -3.424 -4.369 7.087 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.971 -5.054 7.853 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.914 -4.519 6.157 1.00 0.00 H new ATOM 1005 N LEU A 65 -3.139 -6.208 4.062 1.00 0.00 N ATOM 1006 CA LEU A 65 -3.822 -6.206 2.769 1.00 0.00 C ATOM 1007 C LEU A 65 -4.623 -7.487 2.569 1.00 0.00 C ATOM 1008 O LEU A 65 -5.796 -7.446 2.204 1.00 0.00 O ATOM 1009 CB LEU A 65 -2.817 -6.054 1.623 1.00 0.00 C ATOM 1010 CG LEU A 65 -2.653 -4.637 1.070 1.00 0.00 C ATOM 1011 CD1 LEU A 65 -2.137 -3.696 2.144 1.00 0.00 C ATOM 1012 CD2 LEU A 65 -1.718 -4.644 -0.129 1.00 0.00 C ATOM 0 H LEU A 65 -2.123 -6.141 3.999 1.00 0.00 H new ATOM 0 HA LEU A 65 -4.505 -5.357 2.763 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.844 -6.405 1.968 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -3.122 -6.710 0.807 1.00 0.00 H new ATOM 0 HG LEU A 65 -3.630 -4.278 0.747 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.028 -2.694 1.728 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -2.843 -3.670 2.974 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -1.169 -4.048 2.502 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -1.610 -3.629 -0.512 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.742 -5.023 0.173 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -2.131 -5.285 -0.908 1.00 0.00 H new ATOM 1024 N MET A 66 -3.984 -8.620 2.828 1.00 0.00 N ATOM 1025 CA MET A 66 -4.610 -9.924 2.604 1.00 0.00 C ATOM 1026 C MET A 66 -5.684 -10.207 3.651 1.00 0.00 C ATOM 1027 O MET A 66 -6.659 -10.903 3.378 1.00 0.00 O ATOM 1028 CB MET A 66 -3.552 -11.030 2.643 1.00 0.00 C ATOM 1029 CG MET A 66 -2.362 -10.774 1.729 1.00 0.00 C ATOM 1030 SD MET A 66 -2.805 -10.708 -0.019 1.00 0.00 S ATOM 1031 CE MET A 66 -1.234 -10.232 -0.742 1.00 0.00 C ATOM 0 H MET A 66 -3.033 -8.667 3.193 1.00 0.00 H new ATOM 0 HA MET A 66 -5.082 -9.905 1.622 1.00 0.00 H new ATOM 0 HB2 MET A 66 -3.195 -11.142 3.667 1.00 0.00 H new ATOM 0 HB3 MET A 66 -4.017 -11.975 2.362 1.00 0.00 H new ATOM 0 HG2 MET A 66 -1.891 -9.833 2.013 1.00 0.00 H new ATOM 0 HG3 MET A 66 -1.622 -11.560 1.880 1.00 0.00 H new ATOM 0 HE1 MET A 66 -1.297 -10.303 -1.828 1.00 0.00 H new ATOM 0 HE2 MET A 66 -0.999 -9.206 -0.459 1.00 0.00 H new ATOM 0 HE3 MET A 66 -0.450 -10.897 -0.379 1.00 0.00 H new ATOM 1041 N SER A 67 -5.502 -9.665 4.846 1.00 0.00 N ATOM 1042 CA SER A 67 -6.451 -9.881 5.930 1.00 0.00 C ATOM 1043 C SER A 67 -7.668 -8.966 5.782 1.00 0.00 C ATOM 1044 O SER A 67 -8.785 -9.344 6.130 1.00 0.00 O ATOM 1045 CB SER A 67 -5.766 -9.657 7.280 1.00 0.00 C ATOM 1046 OG SER A 67 -4.631 -10.498 7.417 1.00 0.00 O ATOM 0 H SER A 67 -4.708 -9.073 5.090 1.00 0.00 H new ATOM 0 HA SER A 67 -6.801 -10.912 5.882 1.00 0.00 H new ATOM 0 HB2 SER A 67 -5.464 -8.614 7.370 1.00 0.00 H new ATOM 0 HB3 SER A 67 -6.471 -9.856 8.087 1.00 0.00 H new ATOM 0 HG SER A 67 -3.863 -10.087 6.967 1.00 0.00 H new ATOM 1052 N SER A 68 -7.451 -7.771 5.251 1.00 0.00 N ATOM 1053 CA SER A 68 -8.537 -6.824 5.035 1.00 0.00 C ATOM 1054 C SER A 68 -9.086 -6.956 3.619 1.00 0.00 C ATOM 1055 O SER A 68 -9.888 -6.132 3.170 1.00 0.00 O ATOM 1056 CB SER A 68 -8.051 -5.394 5.277 1.00 0.00 C ATOM 1057 OG SER A 68 -7.504 -5.255 6.579 1.00 0.00 O ATOM 0 H SER A 68 -6.533 -7.434 4.962 1.00 0.00 H new ATOM 0 HA SER A 68 -9.335 -7.049 5.742 1.00 0.00 H new ATOM 0 HB2 SER A 68 -7.299 -5.131 4.533 1.00 0.00 H new ATOM 0 HB3 SER A 68 -8.881 -4.698 5.151 1.00 0.00 H new ATOM 0 HG SER A 68 -6.568 -5.544 6.573 1.00 0.00 H new ATOM 1063 N LEU A 69 -8.655 -8.004 2.927 1.00 0.00 N ATOM 1064 CA LEU A 69 -9.064 -8.248 1.552 1.00 0.00 C ATOM 1065 C LEU A 69 -10.555 -8.568 1.484 1.00 0.00 C ATOM 1066 O LEU A 69 -10.972 -9.715 1.652 1.00 0.00 O ATOM 1067 CB LEU A 69 -8.237 -9.391 0.953 1.00 0.00 C ATOM 1068 CG LEU A 69 -8.478 -9.667 -0.529 1.00 0.00 C ATOM 1069 CD1 LEU A 69 -8.141 -8.444 -1.367 1.00 0.00 C ATOM 1070 CD2 LEU A 69 -7.662 -10.865 -0.984 1.00 0.00 C ATOM 0 H LEU A 69 -8.015 -8.704 3.302 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.885 -7.345 0.968 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.180 -9.166 1.096 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -8.448 -10.302 1.514 1.00 0.00 H new ATOM 0 HG LEU A 69 -9.535 -9.894 -0.668 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -8.320 -8.664 -2.420 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -8.768 -7.608 -1.059 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.092 -8.183 -1.224 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -7.845 -11.049 -2.043 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.602 -10.664 -0.828 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -7.953 -11.743 -0.408 1.00 0.00 H new ATOM 1440 N THR B 8 3.906 8.048 -16.455 1.00 0.00 N ATOM 1441 CA THR B 8 4.648 9.256 -16.747 1.00 0.00 C ATOM 1442 C THR B 8 5.245 9.822 -15.461 1.00 0.00 C ATOM 1443 O THR B 8 4.520 10.073 -14.493 1.00 0.00 O ATOM 1444 CB THR B 8 3.732 10.304 -17.405 1.00 0.00 C ATOM 1445 OG1 THR B 8 2.990 9.686 -18.467 1.00 0.00 O ATOM 1446 CG2 THR B 8 4.540 11.469 -17.957 1.00 0.00 C ATOM 0 HA THR B 8 5.453 9.012 -17.440 1.00 0.00 H new ATOM 0 HB THR B 8 3.050 10.691 -16.648 1.00 0.00 H new ATOM 0 HG1 THR B 8 2.868 8.734 -18.270 1.00 0.00 H new ATOM 0 HG21 THR B 8 3.867 12.193 -18.416 1.00 0.00 H new ATOM 0 HG22 THR B 8 5.090 11.947 -17.146 1.00 0.00 H new ATOM 0 HG23 THR B 8 5.243 11.102 -18.705 1.00 0.00 H new ATOM 1454 N ASP B 9 6.560 10.021 -15.459 1.00 0.00 N ATOM 1455 CA ASP B 9 7.280 10.476 -14.270 1.00 0.00 C ATOM 1456 C ASP B 9 6.741 11.807 -13.759 1.00 0.00 C ATOM 1457 O ASP B 9 6.634 12.011 -12.551 1.00 0.00 O ATOM 1458 CB ASP B 9 8.782 10.587 -14.560 1.00 0.00 C ATOM 1459 CG ASP B 9 9.095 11.490 -15.737 1.00 0.00 C ATOM 1460 OD1 ASP B 9 8.845 11.075 -16.890 1.00 0.00 O ATOM 1461 OD2 ASP B 9 9.606 12.606 -15.522 1.00 0.00 O ATOM 0 H ASP B 9 7.155 9.873 -16.275 1.00 0.00 H new ATOM 0 HA ASP B 9 7.124 9.732 -13.489 1.00 0.00 H new ATOM 0 HB2 ASP B 9 9.290 10.966 -13.673 1.00 0.00 H new ATOM 0 HB3 ASP B 9 9.183 9.592 -14.756 1.00 0.00 H new ATOM 1466 N GLU B 10 6.389 12.704 -14.678 1.00 0.00 N ATOM 1467 CA GLU B 10 5.799 13.988 -14.311 1.00 0.00 C ATOM 1468 C GLU B 10 4.568 13.784 -13.437 1.00 0.00 C ATOM 1469 O GLU B 10 4.489 14.292 -12.321 1.00 0.00 O ATOM 1470 CB GLU B 10 5.389 14.763 -15.559 1.00 0.00 C ATOM 1471 CG GLU B 10 6.521 15.037 -16.529 1.00 0.00 C ATOM 1472 CD GLU B 10 6.039 15.777 -17.758 1.00 0.00 C ATOM 1473 OE1 GLU B 10 5.633 15.109 -18.733 1.00 0.00 O ATOM 1474 OE2 GLU B 10 6.029 17.024 -17.739 1.00 0.00 O ATOM 0 H GLU B 10 6.502 12.565 -15.682 1.00 0.00 H new ATOM 0 HA GLU B 10 6.550 14.552 -13.758 1.00 0.00 H new ATOM 0 HB2 GLU B 10 4.610 14.205 -16.078 1.00 0.00 H new ATOM 0 HB3 GLU B 10 4.951 15.713 -15.254 1.00 0.00 H new ATOM 0 HG2 GLU B 10 7.293 15.623 -16.031 1.00 0.00 H new ATOM 0 HG3 GLU B 10 6.980 14.095 -16.828 1.00 0.00 H new ATOM 1481 N GLN B 11 3.620 13.017 -13.959 1.00 0.00 N ATOM 1482 CA GLN B 11 2.356 12.782 -13.280 1.00 0.00 C ATOM 1483 C GLN B 11 2.589 12.160 -11.904 1.00 0.00 C ATOM 1484 O GLN B 11 2.038 12.622 -10.908 1.00 0.00 O ATOM 1485 CB GLN B 11 1.469 11.873 -14.135 1.00 0.00 C ATOM 1486 CG GLN B 11 0.070 11.677 -13.571 1.00 0.00 C ATOM 1487 CD GLN B 11 -0.703 12.978 -13.445 1.00 0.00 C ATOM 1488 OE1 GLN B 11 -1.543 13.123 -12.562 1.00 0.00 O ATOM 1489 NE2 GLN B 11 -0.438 13.928 -14.328 1.00 0.00 N ATOM 0 H GLN B 11 3.706 12.544 -14.859 1.00 0.00 H new ATOM 0 HA GLN B 11 1.852 13.738 -13.138 1.00 0.00 H new ATOM 0 HB2 GLN B 11 1.391 12.295 -15.137 1.00 0.00 H new ATOM 0 HB3 GLN B 11 1.950 10.900 -14.235 1.00 0.00 H new ATOM 0 HG2 GLN B 11 -0.483 10.992 -14.214 1.00 0.00 H new ATOM 0 HG3 GLN B 11 0.141 11.206 -12.591 1.00 0.00 H new ATOM 0 HE21 GLN B 11 0.267 13.772 -15.048 1.00 0.00 H new ATOM 0 HE22 GLN B 11 -0.939 14.816 -14.288 1.00 0.00 H new ATOM 1498 N VAL B 12 3.433 11.135 -11.859 1.00 0.00 N ATOM 1499 CA VAL B 12 3.713 10.423 -10.613 1.00 0.00 C ATOM 1500 C VAL B 12 4.346 11.347 -9.571 1.00 0.00 C ATOM 1501 O VAL B 12 3.910 11.379 -8.418 1.00 0.00 O ATOM 1502 CB VAL B 12 4.639 9.210 -10.853 1.00 0.00 C ATOM 1503 CG1 VAL B 12 4.954 8.508 -9.542 1.00 0.00 C ATOM 1504 CG2 VAL B 12 4.009 8.234 -11.838 1.00 0.00 C ATOM 0 H VAL B 12 3.937 10.777 -12.671 1.00 0.00 H new ATOM 0 HA VAL B 12 2.756 10.067 -10.233 1.00 0.00 H new ATOM 0 HB VAL B 12 5.571 9.577 -11.282 1.00 0.00 H new ATOM 0 HG11 VAL B 12 5.607 7.657 -9.733 1.00 0.00 H new ATOM 0 HG12 VAL B 12 5.453 9.204 -8.867 1.00 0.00 H new ATOM 0 HG13 VAL B 12 4.028 8.159 -9.084 1.00 0.00 H new ATOM 0 HG21 VAL B 12 4.679 7.388 -11.991 1.00 0.00 H new ATOM 0 HG22 VAL B 12 3.059 7.877 -11.439 1.00 0.00 H new ATOM 0 HG23 VAL B 12 3.837 8.737 -12.789 1.00 0.00 H new ATOM 1514 N GLU B 13 5.358 12.106 -9.990 1.00 0.00 N ATOM 1515 CA GLU B 13 6.086 12.996 -9.087 1.00 0.00 C ATOM 1516 C GLU B 13 5.143 14.003 -8.435 1.00 0.00 C ATOM 1517 O GLU B 13 5.169 14.196 -7.220 1.00 0.00 O ATOM 1518 CB GLU B 13 7.189 13.745 -9.846 1.00 0.00 C ATOM 1519 CG GLU B 13 8.059 14.624 -8.956 1.00 0.00 C ATOM 1520 CD GLU B 13 8.127 16.062 -9.434 1.00 0.00 C ATOM 1521 OE1 GLU B 13 8.801 16.325 -10.451 1.00 0.00 O ATOM 1522 OE2 GLU B 13 7.511 16.940 -8.791 1.00 0.00 O ATOM 0 H GLU B 13 5.693 12.122 -10.953 1.00 0.00 H new ATOM 0 HA GLU B 13 6.538 12.382 -8.308 1.00 0.00 H new ATOM 0 HB2 GLU B 13 7.823 13.020 -10.356 1.00 0.00 H new ATOM 0 HB3 GLU B 13 6.731 14.365 -10.616 1.00 0.00 H new ATOM 0 HG2 GLU B 13 7.668 14.602 -7.939 1.00 0.00 H new ATOM 0 HG3 GLU B 13 9.067 14.210 -8.919 1.00 0.00 H new ATOM 1529 N LYS B 14 4.294 14.626 -9.245 1.00 0.00 N ATOM 1530 CA LYS B 14 3.412 15.675 -8.746 1.00 0.00 C ATOM 1531 C LYS B 14 2.331 15.108 -7.827 1.00 0.00 C ATOM 1532 O LYS B 14 1.927 15.760 -6.865 1.00 0.00 O ATOM 1533 CB LYS B 14 2.780 16.471 -9.899 1.00 0.00 C ATOM 1534 CG LYS B 14 3.697 17.545 -10.481 1.00 0.00 C ATOM 1535 CD LYS B 14 4.906 16.946 -11.178 1.00 0.00 C ATOM 1536 CE LYS B 14 5.876 18.010 -11.668 1.00 0.00 C ATOM 1537 NZ LYS B 14 6.520 18.742 -10.545 1.00 0.00 N ATOM 0 H LYS B 14 4.198 14.426 -10.241 1.00 0.00 H new ATOM 0 HA LYS B 14 4.026 16.359 -8.160 1.00 0.00 H new ATOM 0 HB2 LYS B 14 2.496 15.780 -10.693 1.00 0.00 H new ATOM 0 HB3 LYS B 14 1.864 16.942 -9.544 1.00 0.00 H new ATOM 0 HG2 LYS B 14 3.136 18.155 -11.189 1.00 0.00 H new ATOM 0 HG3 LYS B 14 4.031 18.208 -9.683 1.00 0.00 H new ATOM 0 HD2 LYS B 14 5.423 16.275 -10.492 1.00 0.00 H new ATOM 0 HD3 LYS B 14 4.574 16.344 -12.023 1.00 0.00 H new ATOM 0 HE2 LYS B 14 6.645 17.543 -12.283 1.00 0.00 H new ATOM 0 HE3 LYS B 14 5.345 18.718 -12.304 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 7.469 19.055 -10.834 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 5.943 19.570 -10.294 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 6.599 18.113 -9.721 1.00 0.00 H new ATOM 1551 N ILE B 15 1.873 13.893 -8.110 1.00 0.00 N ATOM 1552 CA ILE B 15 0.890 13.247 -7.249 1.00 0.00 C ATOM 1553 C ILE B 15 1.518 12.886 -5.908 1.00 0.00 C ATOM 1554 O ILE B 15 0.946 13.166 -4.857 1.00 0.00 O ATOM 1555 CB ILE B 15 0.284 11.980 -7.890 1.00 0.00 C ATOM 1556 CG1 ILE B 15 -0.435 12.330 -9.193 1.00 0.00 C ATOM 1557 CG2 ILE B 15 -0.684 11.310 -6.924 1.00 0.00 C ATOM 1558 CD1 ILE B 15 -1.027 11.130 -9.900 1.00 0.00 C ATOM 0 H ILE B 15 2.162 13.342 -8.918 1.00 0.00 H new ATOM 0 HA ILE B 15 0.081 13.963 -7.102 1.00 0.00 H new ATOM 0 HB ILE B 15 1.095 11.287 -8.114 1.00 0.00 H new ATOM 0 HG12 ILE B 15 -1.230 13.044 -8.979 1.00 0.00 H new ATOM 0 HG13 ILE B 15 0.267 12.826 -9.863 1.00 0.00 H new ATOM 0 HG21 ILE B 15 -1.104 10.418 -7.389 1.00 0.00 H new ATOM 0 HG22 ILE B 15 -0.154 11.029 -6.014 1.00 0.00 H new ATOM 0 HG23 ILE B 15 -1.488 12.003 -6.676 1.00 0.00 H new ATOM 0 HD11 ILE B 15 -1.521 11.454 -10.816 1.00 0.00 H new ATOM 0 HD12 ILE B 15 -0.233 10.425 -10.146 1.00 0.00 H new ATOM 0 HD13 ILE B 15 -1.754 10.645 -9.248 1.00 0.00 H new ATOM 1570 N LEU B 16 2.705 12.283 -5.953 1.00 0.00 N ATOM 1571 CA LEU B 16 3.434 11.936 -4.736 1.00 0.00 C ATOM 1572 C LEU B 16 3.668 13.174 -3.883 1.00 0.00 C ATOM 1573 O LEU B 16 3.530 13.128 -2.661 1.00 0.00 O ATOM 1574 CB LEU B 16 4.779 11.281 -5.067 1.00 0.00 C ATOM 1575 CG LEU B 16 4.698 9.852 -5.607 1.00 0.00 C ATOM 1576 CD1 LEU B 16 6.073 9.369 -6.041 1.00 0.00 C ATOM 1577 CD2 LEU B 16 4.119 8.917 -4.554 1.00 0.00 C ATOM 0 H LEU B 16 3.181 12.025 -6.818 1.00 0.00 H new ATOM 0 HA LEU B 16 2.826 11.224 -4.178 1.00 0.00 H new ATOM 0 HB2 LEU B 16 5.294 11.900 -5.801 1.00 0.00 H new ATOM 0 HB3 LEU B 16 5.393 11.277 -4.166 1.00 0.00 H new ATOM 0 HG LEU B 16 4.038 9.849 -6.475 1.00 0.00 H new ATOM 0 HD11 LEU B 16 5.997 8.351 -6.423 1.00 0.00 H new ATOM 0 HD12 LEU B 16 6.458 10.022 -6.824 1.00 0.00 H new ATOM 0 HD13 LEU B 16 6.751 9.387 -5.188 1.00 0.00 H new ATOM 0 HD21 LEU B 16 4.068 7.905 -4.955 1.00 0.00 H new ATOM 0 HD22 LEU B 16 4.756 8.926 -3.670 1.00 0.00 H new ATOM 0 HD23 LEU B 16 3.117 9.250 -4.283 1.00 0.00 H new ATOM 1589 N ALA B 17 4.006 14.276 -4.541 1.00 0.00 N ATOM 1590 CA ALA B 17 4.240 15.540 -3.860 1.00 0.00 C ATOM 1591 C ALA B 17 3.013 15.977 -3.066 1.00 0.00 C ATOM 1592 O ALA B 17 3.128 16.379 -1.910 1.00 0.00 O ATOM 1593 CB ALA B 17 4.634 16.612 -4.865 1.00 0.00 C ATOM 0 H ALA B 17 4.124 14.318 -5.553 1.00 0.00 H new ATOM 0 HA ALA B 17 5.059 15.398 -3.155 1.00 0.00 H new ATOM 0 HB1 ALA B 17 4.807 17.554 -4.344 1.00 0.00 H new ATOM 0 HB2 ALA B 17 5.546 16.310 -5.380 1.00 0.00 H new ATOM 0 HB3 ALA B 17 3.832 16.741 -5.592 1.00 0.00 H new ATOM 1599 N GLU B 18 1.837 15.879 -3.680 1.00 0.00 N ATOM 1600 CA GLU B 18 0.609 16.295 -3.018 1.00 0.00 C ATOM 1601 C GLU B 18 0.203 15.313 -1.922 1.00 0.00 C ATOM 1602 O GLU B 18 -0.258 15.725 -0.859 1.00 0.00 O ATOM 1603 CB GLU B 18 -0.533 16.460 -4.016 1.00 0.00 C ATOM 1604 CG GLU B 18 -0.339 17.606 -4.990 1.00 0.00 C ATOM 1605 CD GLU B 18 -1.649 18.068 -5.590 1.00 0.00 C ATOM 1606 OE1 GLU B 18 -2.074 17.510 -6.624 1.00 0.00 O ATOM 1607 OE2 GLU B 18 -2.275 18.984 -5.009 1.00 0.00 O ATOM 0 H GLU B 18 1.711 15.518 -4.626 1.00 0.00 H new ATOM 0 HA GLU B 18 0.810 17.262 -2.557 1.00 0.00 H new ATOM 0 HB2 GLU B 18 -0.647 15.534 -4.579 1.00 0.00 H new ATOM 0 HB3 GLU B 18 -1.462 16.616 -3.467 1.00 0.00 H new ATOM 0 HG2 GLU B 18 0.139 18.441 -4.477 1.00 0.00 H new ATOM 0 HG3 GLU B 18 0.335 17.294 -5.788 1.00 0.00 H new ATOM 1614 N VAL B 19 0.374 14.019 -2.179 1.00 0.00 N ATOM 1615 CA VAL B 19 0.046 13.003 -1.184 1.00 0.00 C ATOM 1616 C VAL B 19 0.928 13.171 0.051 1.00 0.00 C ATOM 1617 O VAL B 19 0.441 13.159 1.183 1.00 0.00 O ATOM 1618 CB VAL B 19 0.199 11.572 -1.747 1.00 0.00 C ATOM 1619 CG1 VAL B 19 -0.060 10.530 -0.667 1.00 0.00 C ATOM 1620 CG2 VAL B 19 -0.745 11.363 -2.920 1.00 0.00 C ATOM 0 H VAL B 19 0.735 13.652 -3.060 1.00 0.00 H new ATOM 0 HA VAL B 19 -0.999 13.142 -0.909 1.00 0.00 H new ATOM 0 HB VAL B 19 1.225 11.452 -2.095 1.00 0.00 H new ATOM 0 HG11 VAL B 19 0.054 9.532 -1.090 1.00 0.00 H new ATOM 0 HG12 VAL B 19 0.654 10.664 0.146 1.00 0.00 H new ATOM 0 HG13 VAL B 19 -1.073 10.648 -0.283 1.00 0.00 H new ATOM 0 HG21 VAL B 19 -0.626 10.351 -3.307 1.00 0.00 H new ATOM 0 HG22 VAL B 19 -1.774 11.507 -2.589 1.00 0.00 H new ATOM 0 HG23 VAL B 19 -0.513 12.081 -3.706 1.00 0.00 H new ATOM 1630 N ALA B 20 2.222 13.359 -0.179 1.00 0.00 N ATOM 1631 CA ALA B 20 3.163 13.594 0.906 1.00 0.00 C ATOM 1632 C ALA B 20 2.845 14.908 1.612 1.00 0.00 C ATOM 1633 O ALA B 20 3.028 15.036 2.823 1.00 0.00 O ATOM 1634 CB ALA B 20 4.588 13.606 0.377 1.00 0.00 C ATOM 0 H ALA B 20 2.642 13.353 -1.108 1.00 0.00 H new ATOM 0 HA ALA B 20 3.069 12.783 1.628 1.00 0.00 H new ATOM 0 HB1 ALA B 20 5.280 13.783 1.200 1.00 0.00 H new ATOM 0 HB2 ALA B 20 4.812 12.645 -0.086 1.00 0.00 H new ATOM 0 HB3 ALA B 20 4.695 14.399 -0.363 1.00 0.00 H new ATOM 1640 N LEU B 21 2.356 15.875 0.844 1.00 0.00 N ATOM 1641 CA LEU B 21 1.971 17.172 1.383 1.00 0.00 C ATOM 1642 C LEU B 21 0.799 17.016 2.352 1.00 0.00 C ATOM 1643 O LEU B 21 0.764 17.660 3.398 1.00 0.00 O ATOM 1644 CB LEU B 21 1.618 18.133 0.235 1.00 0.00 C ATOM 1645 CG LEU B 21 1.351 19.592 0.627 1.00 0.00 C ATOM 1646 CD1 LEU B 21 1.642 20.510 -0.549 1.00 0.00 C ATOM 1647 CD2 LEU B 21 -0.091 19.780 1.079 1.00 0.00 C ATOM 0 H LEU B 21 2.216 15.783 -0.162 1.00 0.00 H new ATOM 0 HA LEU B 21 2.810 17.594 1.936 1.00 0.00 H new ATOM 0 HB2 LEU B 21 2.434 18.117 -0.488 1.00 0.00 H new ATOM 0 HB3 LEU B 21 0.734 17.748 -0.274 1.00 0.00 H new ATOM 0 HG LEU B 21 2.010 19.845 1.457 1.00 0.00 H new ATOM 0 HD11 LEU B 21 1.449 21.543 -0.260 1.00 0.00 H new ATOM 0 HD12 LEU B 21 2.686 20.404 -0.844 1.00 0.00 H new ATOM 0 HD13 LEU B 21 0.999 20.242 -1.388 1.00 0.00 H new ATOM 0 HD21 LEU B 21 -0.254 20.823 1.351 1.00 0.00 H new ATOM 0 HD22 LEU B 21 -0.765 19.507 0.267 1.00 0.00 H new ATOM 0 HD23 LEU B 21 -0.287 19.145 1.943 1.00 0.00 H new ATOM 1659 N VAL B 22 -0.152 16.153 2.006 1.00 0.00 N ATOM 1660 CA VAL B 22 -1.293 15.892 2.874 1.00 0.00 C ATOM 1661 C VAL B 22 -0.825 15.275 4.188 1.00 0.00 C ATOM 1662 O VAL B 22 -1.281 15.655 5.270 1.00 0.00 O ATOM 1663 CB VAL B 22 -2.327 14.954 2.211 1.00 0.00 C ATOM 1664 CG1 VAL B 22 -3.466 14.648 3.171 1.00 0.00 C ATOM 1665 CG2 VAL B 22 -2.864 15.567 0.927 1.00 0.00 C ATOM 0 H VAL B 22 -0.154 15.625 1.133 1.00 0.00 H new ATOM 0 HA VAL B 22 -1.777 16.850 3.062 1.00 0.00 H new ATOM 0 HB VAL B 22 -1.826 14.019 1.961 1.00 0.00 H new ATOM 0 HG11 VAL B 22 -4.183 13.986 2.685 1.00 0.00 H new ATOM 0 HG12 VAL B 22 -3.070 14.162 4.063 1.00 0.00 H new ATOM 0 HG13 VAL B 22 -3.963 15.576 3.454 1.00 0.00 H new ATOM 0 HG21 VAL B 22 -3.590 14.890 0.477 1.00 0.00 H new ATOM 0 HG22 VAL B 22 -3.346 16.519 1.152 1.00 0.00 H new ATOM 0 HG23 VAL B 22 -2.042 15.732 0.231 1.00 0.00 H new ATOM 1675 N LEU B 23 0.106 14.336 4.081 1.00 0.00 N ATOM 1676 CA LEU B 23 0.680 13.683 5.248 1.00 0.00 C ATOM 1677 C LEU B 23 1.416 14.701 6.112 1.00 0.00 C ATOM 1678 O LEU B 23 1.248 14.732 7.331 1.00 0.00 O ATOM 1679 CB LEU B 23 1.638 12.570 4.815 1.00 0.00 C ATOM 1680 CG LEU B 23 1.039 11.532 3.862 1.00 0.00 C ATOM 1681 CD1 LEU B 23 2.090 10.511 3.456 1.00 0.00 C ATOM 1682 CD2 LEU B 23 -0.159 10.844 4.499 1.00 0.00 C ATOM 0 H LEU B 23 0.481 14.008 3.191 1.00 0.00 H new ATOM 0 HA LEU B 23 -0.127 13.243 5.834 1.00 0.00 H new ATOM 0 HB2 LEU B 23 2.505 13.024 4.335 1.00 0.00 H new ATOM 0 HB3 LEU B 23 2.000 12.057 5.706 1.00 0.00 H new ATOM 0 HG LEU B 23 0.697 12.049 2.965 1.00 0.00 H new ATOM 0 HD11 LEU B 23 1.646 9.781 2.779 1.00 0.00 H new ATOM 0 HD12 LEU B 23 2.914 11.017 2.954 1.00 0.00 H new ATOM 0 HD13 LEU B 23 2.464 10.001 4.344 1.00 0.00 H new ATOM 0 HD21 LEU B 23 -0.569 10.111 3.805 1.00 0.00 H new ATOM 0 HD22 LEU B 23 0.154 10.342 5.414 1.00 0.00 H new ATOM 0 HD23 LEU B 23 -0.922 11.586 4.735 1.00 0.00 H new ATOM 1694 N GLU B 24 2.207 15.547 5.463 1.00 0.00 N ATOM 1695 CA GLU B 24 2.974 16.583 6.146 1.00 0.00 C ATOM 1696 C GLU B 24 2.039 17.590 6.821 1.00 0.00 C ATOM 1697 O GLU B 24 2.280 18.023 7.945 1.00 0.00 O ATOM 1698 CB GLU B 24 3.875 17.304 5.140 1.00 0.00 C ATOM 1699 CG GLU B 24 4.886 18.245 5.775 1.00 0.00 C ATOM 1700 CD GLU B 24 6.037 17.510 6.432 1.00 0.00 C ATOM 1701 OE1 GLU B 24 5.881 17.046 7.582 1.00 0.00 O ATOM 1702 OE2 GLU B 24 7.108 17.397 5.802 1.00 0.00 O ATOM 0 H GLU B 24 2.335 15.535 4.451 1.00 0.00 H new ATOM 0 HA GLU B 24 3.589 16.113 6.914 1.00 0.00 H new ATOM 0 HB2 GLU B 24 4.409 16.560 4.548 1.00 0.00 H new ATOM 0 HB3 GLU B 24 3.250 17.871 4.450 1.00 0.00 H new ATOM 0 HG2 GLU B 24 5.278 18.918 5.013 1.00 0.00 H new ATOM 0 HG3 GLU B 24 4.383 18.863 6.519 1.00 0.00 H new ATOM 1709 N LYS B 25 0.961 17.941 6.126 1.00 0.00 N ATOM 1710 CA LYS B 25 0.011 18.941 6.610 1.00 0.00 C ATOM 1711 C LYS B 25 -0.706 18.469 7.880 1.00 0.00 C ATOM 1712 O LYS B 25 -1.236 19.275 8.642 1.00 0.00 O ATOM 1713 CB LYS B 25 -1.008 19.266 5.511 1.00 0.00 C ATOM 1714 CG LYS B 25 -1.886 20.471 5.816 1.00 0.00 C ATOM 1715 CD LYS B 25 -2.753 20.855 4.621 1.00 0.00 C ATOM 1716 CE LYS B 25 -3.783 19.783 4.296 1.00 0.00 C ATOM 1717 NZ LYS B 25 -4.596 20.136 3.101 1.00 0.00 N ATOM 0 H LYS B 25 0.721 17.544 5.217 1.00 0.00 H new ATOM 0 HA LYS B 25 0.569 19.843 6.863 1.00 0.00 H new ATOM 0 HB2 LYS B 25 -0.475 19.445 4.577 1.00 0.00 H new ATOM 0 HB3 LYS B 25 -1.645 18.396 5.352 1.00 0.00 H new ATOM 0 HG2 LYS B 25 -2.524 20.249 6.672 1.00 0.00 H new ATOM 0 HG3 LYS B 25 -1.258 21.317 6.097 1.00 0.00 H new ATOM 0 HD2 LYS B 25 -3.262 21.796 4.830 1.00 0.00 H new ATOM 0 HD3 LYS B 25 -2.118 21.023 3.751 1.00 0.00 H new ATOM 0 HE2 LYS B 25 -3.276 18.834 4.122 1.00 0.00 H new ATOM 0 HE3 LYS B 25 -4.441 19.641 5.153 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 -5.564 19.776 3.221 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 -4.622 21.170 2.992 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 -4.170 19.710 2.253 1.00 0.00 H new ATOM 1731 N HIS B 26 -0.720 17.163 8.102 1.00 0.00 N ATOM 1732 CA HIS B 26 -1.308 16.609 9.319 1.00 0.00 C ATOM 1733 C HIS B 26 -0.220 16.068 10.236 1.00 0.00 C ATOM 1734 O HIS B 26 -0.509 15.570 11.325 1.00 0.00 O ATOM 1735 CB HIS B 26 -2.308 15.495 8.994 1.00 0.00 C ATOM 1736 CG HIS B 26 -3.553 15.971 8.314 1.00 0.00 C ATOM 1737 ND1 HIS B 26 -4.696 16.328 8.997 1.00 0.00 N ATOM 1738 CD2 HIS B 26 -3.836 16.142 7.001 1.00 0.00 C ATOM 1739 CE1 HIS B 26 -5.626 16.696 8.138 1.00 0.00 C ATOM 1740 NE2 HIS B 26 -5.128 16.590 6.922 1.00 0.00 N ATOM 0 H HIS B 26 -0.334 16.469 7.462 1.00 0.00 H new ATOM 0 HA HIS B 26 -1.840 17.414 9.826 1.00 0.00 H new ATOM 0 HB2 HIS B 26 -1.819 14.757 8.358 1.00 0.00 H new ATOM 0 HB3 HIS B 26 -2.583 14.987 9.918 1.00 0.00 H new ATOM 0 HD2 HIS B 26 -3.168 15.959 6.172 1.00 0.00 H new ATOM 0 HE1 HIS B 26 -6.623 17.027 8.387 1.00 0.00 H new ATOM 0 HE2 HIS B 26 -5.626 16.807 6.059 1.00 0.00 H new ATOM 1749 N ALA B 27 1.028 16.188 9.784 1.00 0.00 N ATOM 1750 CA ALA B 27 2.183 15.645 10.493 1.00 0.00 C ATOM 1751 C ALA B 27 1.980 14.166 10.807 1.00 0.00 C ATOM 1752 O ALA B 27 2.167 13.724 11.944 1.00 0.00 O ATOM 1753 CB ALA B 27 2.459 16.443 11.760 1.00 0.00 C ATOM 0 H ALA B 27 1.265 16.665 8.914 1.00 0.00 H new ATOM 0 HA ALA B 27 3.055 15.731 9.845 1.00 0.00 H new ATOM 0 HB1 ALA B 27 3.323 16.022 12.274 1.00 0.00 H new ATOM 0 HB2 ALA B 27 2.662 17.482 11.499 1.00 0.00 H new ATOM 0 HB3 ALA B 27 1.589 16.397 12.416 1.00 0.00 H new ATOM 1759 N ALA B 28 1.591 13.410 9.789 1.00 0.00 N ATOM 1760 CA ALA B 28 1.322 11.987 9.945 1.00 0.00 C ATOM 1761 C ALA B 28 2.600 11.229 10.272 1.00 0.00 C ATOM 1762 O ALA B 28 3.597 11.344 9.559 1.00 0.00 O ATOM 1763 CB ALA B 28 0.680 11.429 8.683 1.00 0.00 C ATOM 0 H ALA B 28 1.454 13.761 8.841 1.00 0.00 H new ATOM 0 HA ALA B 28 0.628 11.858 10.776 1.00 0.00 H new ATOM 0 HB1 ALA B 28 0.485 10.365 8.814 1.00 0.00 H new ATOM 0 HB2 ALA B 28 -0.259 11.949 8.492 1.00 0.00 H new ATOM 0 HB3 ALA B 28 1.353 11.573 7.838 1.00 0.00 H new ATOM 1769 N SER B 29 2.568 10.466 11.351 1.00 0.00 N ATOM 1770 CA SER B 29 3.715 9.677 11.759 1.00 0.00 C ATOM 1771 C SER B 29 3.853 8.447 10.860 1.00 0.00 C ATOM 1772 O SER B 29 2.898 8.074 10.174 1.00 0.00 O ATOM 1773 CB SER B 29 3.561 9.271 13.227 1.00 0.00 C ATOM 1774 OG SER B 29 2.365 8.538 13.437 1.00 0.00 O ATOM 0 H SER B 29 1.756 10.377 11.962 1.00 0.00 H new ATOM 0 HA SER B 29 4.622 10.272 11.657 1.00 0.00 H new ATOM 0 HB2 SER B 29 4.417 8.669 13.532 1.00 0.00 H new ATOM 0 HB3 SER B 29 3.559 10.162 13.855 1.00 0.00 H new ATOM 0 HG SER B 29 2.492 7.911 14.179 1.00 0.00 H new ATOM 1780 N PRO B 30 5.046 7.822 10.829 1.00 0.00 N ATOM 1781 CA PRO B 30 5.314 6.626 10.015 1.00 0.00 C ATOM 1782 C PRO B 30 4.211 5.570 10.090 1.00 0.00 C ATOM 1783 O PRO B 30 3.758 5.070 9.060 1.00 0.00 O ATOM 1784 CB PRO B 30 6.604 6.085 10.621 1.00 0.00 C ATOM 1785 CG PRO B 30 7.315 7.294 11.115 1.00 0.00 C ATOM 1786 CD PRO B 30 6.248 8.252 11.573 1.00 0.00 C ATOM 0 HA PRO B 30 5.375 6.873 8.955 1.00 0.00 H new ATOM 0 HB2 PRO B 30 6.400 5.385 11.431 1.00 0.00 H new ATOM 0 HB3 PRO B 30 7.198 5.550 9.880 1.00 0.00 H new ATOM 0 HG2 PRO B 30 7.989 7.042 11.934 1.00 0.00 H new ATOM 0 HG3 PRO B 30 7.923 7.737 10.326 1.00 0.00 H new ATOM 0 HD2 PRO B 30 6.094 8.194 12.650 1.00 0.00 H new ATOM 0 HD3 PRO B 30 6.512 9.284 11.344 1.00 0.00 H new ATOM 1794 N GLU B 31 3.785 5.239 11.309 1.00 0.00 N ATOM 1795 CA GLU B 31 2.742 4.231 11.514 1.00 0.00 C ATOM 1796 C GLU B 31 1.483 4.621 10.756 1.00 0.00 C ATOM 1797 O GLU B 31 0.922 3.828 9.999 1.00 0.00 O ATOM 1798 CB GLU B 31 2.379 4.073 12.997 1.00 0.00 C ATOM 1799 CG GLU B 31 3.535 4.250 13.966 1.00 0.00 C ATOM 1800 CD GLU B 31 3.895 5.705 14.179 1.00 0.00 C ATOM 1801 OE1 GLU B 31 3.101 6.432 14.808 1.00 0.00 O ATOM 1802 OE2 GLU B 31 4.955 6.134 13.688 1.00 0.00 O ATOM 0 H GLU B 31 4.145 5.653 12.169 1.00 0.00 H new ATOM 0 HA GLU B 31 3.138 3.285 11.146 1.00 0.00 H new ATOM 0 HB2 GLU B 31 1.604 4.798 13.244 1.00 0.00 H new ATOM 0 HB3 GLU B 31 1.949 3.083 13.146 1.00 0.00 H new ATOM 0 HG2 GLU B 31 3.274 3.800 14.924 1.00 0.00 H new ATOM 0 HG3 GLU B 31 4.406 3.715 13.589 1.00 0.00 H new ATOM 1809 N LEU B 32 1.059 5.862 10.964 1.00 0.00 N ATOM 1810 CA LEU B 32 -0.144 6.385 10.335 1.00 0.00 C ATOM 1811 C LEU B 32 0.044 6.458 8.823 1.00 0.00 C ATOM 1812 O LEU B 32 -0.827 6.053 8.061 1.00 0.00 O ATOM 1813 CB LEU B 32 -0.466 7.769 10.908 1.00 0.00 C ATOM 1814 CG LEU B 32 -1.752 8.417 10.394 1.00 0.00 C ATOM 1815 CD1 LEU B 32 -2.961 7.551 10.717 1.00 0.00 C ATOM 1816 CD2 LEU B 32 -1.913 9.800 10.999 1.00 0.00 C ATOM 0 H LEU B 32 1.537 6.529 11.570 1.00 0.00 H new ATOM 0 HA LEU B 32 -0.980 5.717 10.544 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -0.531 7.687 11.993 1.00 0.00 H new ATOM 0 HB3 LEU B 32 0.368 8.436 10.688 1.00 0.00 H new ATOM 0 HG LEU B 32 -1.684 8.511 9.310 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -3.864 8.032 10.342 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -2.847 6.576 10.244 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -3.040 7.424 11.797 1.00 0.00 H new ATOM 0 HD21 LEU B 32 -2.831 10.255 10.628 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -1.961 9.719 12.085 1.00 0.00 H new ATOM 0 HD23 LEU B 32 -1.062 10.421 10.719 1.00 0.00 H new ATOM 1828 N THR B 33 1.205 6.951 8.414 1.00 0.00 N ATOM 1829 CA THR B 33 1.566 7.064 7.005 1.00 0.00 C ATOM 1830 C THR B 33 1.403 5.731 6.277 1.00 0.00 C ATOM 1831 O THR B 33 0.704 5.637 5.265 1.00 0.00 O ATOM 1832 CB THR B 33 3.030 7.533 6.869 1.00 0.00 C ATOM 1833 OG1 THR B 33 3.193 8.824 7.468 1.00 0.00 O ATOM 1834 CG2 THR B 33 3.464 7.582 5.413 1.00 0.00 C ATOM 0 H THR B 33 1.927 7.286 9.052 1.00 0.00 H new ATOM 0 HA THR B 33 0.895 7.794 6.552 1.00 0.00 H new ATOM 0 HB THR B 33 3.660 6.810 7.387 1.00 0.00 H new ATOM 0 HG1 THR B 33 3.099 8.748 8.440 1.00 0.00 H new ATOM 0 HG21 THR B 33 4.500 7.916 5.353 1.00 0.00 H new ATOM 0 HG22 THR B 33 3.377 6.588 4.974 1.00 0.00 H new ATOM 0 HG23 THR B 33 2.826 8.277 4.866 1.00 0.00 H new ATOM 1842 N LEU B 34 2.037 4.702 6.818 1.00 0.00 N ATOM 1843 CA LEU B 34 2.065 3.401 6.178 1.00 0.00 C ATOM 1844 C LEU B 34 0.694 2.730 6.245 1.00 0.00 C ATOM 1845 O LEU B 34 0.275 2.062 5.297 1.00 0.00 O ATOM 1846 CB LEU B 34 3.150 2.533 6.827 1.00 0.00 C ATOM 1847 CG LEU B 34 3.429 1.202 6.132 1.00 0.00 C ATOM 1848 CD1 LEU B 34 4.910 0.867 6.198 1.00 0.00 C ATOM 1849 CD2 LEU B 34 2.618 0.088 6.775 1.00 0.00 C ATOM 0 H LEU B 34 2.541 4.746 7.704 1.00 0.00 H new ATOM 0 HA LEU B 34 2.308 3.526 5.123 1.00 0.00 H new ATOM 0 HB2 LEU B 34 4.077 3.106 6.862 1.00 0.00 H new ATOM 0 HB3 LEU B 34 2.861 2.331 7.858 1.00 0.00 H new ATOM 0 HG LEU B 34 3.136 1.295 5.086 1.00 0.00 H new ATOM 0 HD11 LEU B 34 5.090 -0.085 5.698 1.00 0.00 H new ATOM 0 HD12 LEU B 34 5.483 1.651 5.703 1.00 0.00 H new ATOM 0 HD13 LEU B 34 5.220 0.794 7.240 1.00 0.00 H new ATOM 0 HD21 LEU B 34 2.828 -0.854 6.268 1.00 0.00 H new ATOM 0 HD22 LEU B 34 2.888 0.002 7.827 1.00 0.00 H new ATOM 0 HD23 LEU B 34 1.555 0.316 6.691 1.00 0.00 H new ATOM 1861 N MET B 35 -0.014 2.927 7.353 1.00 0.00 N ATOM 1862 CA MET B 35 -1.361 2.383 7.497 1.00 0.00 C ATOM 1863 C MET B 35 -2.310 3.018 6.484 1.00 0.00 C ATOM 1864 O MET B 35 -3.120 2.328 5.868 1.00 0.00 O ATOM 1865 CB MET B 35 -1.883 2.587 8.924 1.00 0.00 C ATOM 1866 CG MET B 35 -3.350 2.219 9.101 1.00 0.00 C ATOM 1867 SD MET B 35 -3.849 2.110 10.834 1.00 0.00 S ATOM 1868 CE MET B 35 -3.236 3.665 11.482 1.00 0.00 C ATOM 0 H MET B 35 0.319 3.455 8.159 1.00 0.00 H new ATOM 0 HA MET B 35 -1.315 1.312 7.301 1.00 0.00 H new ATOM 0 HB2 MET B 35 -1.283 1.988 9.609 1.00 0.00 H new ATOM 0 HB3 MET B 35 -1.743 3.631 9.206 1.00 0.00 H new ATOM 0 HG2 MET B 35 -3.968 2.962 8.597 1.00 0.00 H new ATOM 0 HG3 MET B 35 -3.540 1.263 8.614 1.00 0.00 H new ATOM 0 HE1 MET B 35 -3.623 3.817 12.490 1.00 0.00 H new ATOM 0 HE2 MET B 35 -2.147 3.643 11.511 1.00 0.00 H new ATOM 0 HE3 MET B 35 -3.565 4.482 10.840 1.00 0.00 H new ATOM 1878 N ILE B 36 -2.182 4.328 6.301 1.00 0.00 N ATOM 1879 CA ILE B 36 -2.986 5.053 5.324 1.00 0.00 C ATOM 1880 C ILE B 36 -2.791 4.477 3.925 1.00 0.00 C ATOM 1881 O ILE B 36 -3.761 4.252 3.199 1.00 0.00 O ATOM 1882 CB ILE B 36 -2.642 6.561 5.334 1.00 0.00 C ATOM 1883 CG1 ILE B 36 -3.219 7.213 6.593 1.00 0.00 C ATOM 1884 CG2 ILE B 36 -3.149 7.257 4.075 1.00 0.00 C ATOM 1885 CD1 ILE B 36 -2.858 8.672 6.745 1.00 0.00 C ATOM 0 H ILE B 36 -1.526 4.912 6.819 1.00 0.00 H new ATOM 0 HA ILE B 36 -4.033 4.937 5.604 1.00 0.00 H new ATOM 0 HB ILE B 36 -1.557 6.669 5.345 1.00 0.00 H new ATOM 0 HG12 ILE B 36 -4.305 7.117 6.575 1.00 0.00 H new ATOM 0 HG13 ILE B 36 -2.865 6.668 7.468 1.00 0.00 H new ATOM 0 HG21 ILE B 36 -2.890 8.315 4.115 1.00 0.00 H new ATOM 0 HG22 ILE B 36 -2.688 6.804 3.198 1.00 0.00 H new ATOM 0 HG23 ILE B 36 -4.232 7.150 4.011 1.00 0.00 H new ATOM 0 HD11 ILE B 36 -3.303 9.064 7.660 1.00 0.00 H new ATOM 0 HD12 ILE B 36 -1.774 8.775 6.796 1.00 0.00 H new ATOM 0 HD13 ILE B 36 -3.236 9.231 5.889 1.00 0.00 H new ATOM 1897 N ALA B 37 -1.540 4.214 3.562 1.00 0.00 N ATOM 1898 CA ALA B 37 -1.235 3.601 2.274 1.00 0.00 C ATOM 1899 C ALA B 37 -1.897 2.228 2.161 1.00 0.00 C ATOM 1900 O ALA B 37 -2.292 1.802 1.072 1.00 0.00 O ATOM 1901 CB ALA B 37 0.267 3.489 2.084 1.00 0.00 C ATOM 0 H ALA B 37 -0.723 4.415 4.139 1.00 0.00 H new ATOM 0 HA ALA B 37 -1.636 4.238 1.485 1.00 0.00 H new ATOM 0 HB1 ALA B 37 0.478 3.030 1.118 1.00 0.00 H new ATOM 0 HB2 ALA B 37 0.713 4.483 2.118 1.00 0.00 H new ATOM 0 HB3 ALA B 37 0.689 2.874 2.879 1.00 0.00 H new ATOM 1907 N GLY B 38 -2.027 1.552 3.298 1.00 0.00 N ATOM 1908 CA GLY B 38 -2.702 0.271 3.342 1.00 0.00 C ATOM 1909 C GLY B 38 -4.175 0.395 3.022 1.00 0.00 C ATOM 1910 O GLY B 38 -4.722 -0.410 2.266 1.00 0.00 O ATOM 0 H GLY B 38 -1.672 1.874 4.198 1.00 0.00 H new ATOM 0 HA2 GLY B 38 -2.233 -0.410 2.632 1.00 0.00 H new ATOM 0 HA3 GLY B 38 -2.582 -0.168 4.332 1.00 0.00 H new ATOM 1914 N ASN B 39 -4.819 1.407 3.598 1.00 0.00 N ATOM 1915 CA ASN B 39 -6.222 1.688 3.308 1.00 0.00 C ATOM 1916 C ASN B 39 -6.404 1.993 1.827 1.00 0.00 C ATOM 1917 O ASN B 39 -7.371 1.549 1.212 1.00 0.00 O ATOM 1918 CB ASN B 39 -6.737 2.867 4.146 1.00 0.00 C ATOM 1919 CG ASN B 39 -6.870 2.544 5.624 1.00 0.00 C ATOM 1920 OD1 ASN B 39 -5.930 2.713 6.397 1.00 0.00 O ATOM 1921 ND2 ASN B 39 -8.046 2.088 6.034 1.00 0.00 N ATOM 0 H ASN B 39 -4.391 2.046 4.268 1.00 0.00 H new ATOM 0 HA ASN B 39 -6.800 0.802 3.569 1.00 0.00 H new ATOM 0 HB2 ASN B 39 -6.059 3.712 4.026 1.00 0.00 H new ATOM 0 HB3 ASN B 39 -7.708 3.180 3.761 1.00 0.00 H new ATOM 0 HD21 ASN B 39 -8.192 1.866 7.019 1.00 0.00 H new ATOM 0 HD22 ASN B 39 -8.805 1.960 5.365 1.00 0.00 H new ATOM 1928 N ILE B 40 -5.460 2.741 1.263 1.00 0.00 N ATOM 1929 CA ILE B 40 -5.483 3.078 -0.158 1.00 0.00 C ATOM 1930 C ILE B 40 -5.492 1.811 -1.013 1.00 0.00 C ATOM 1931 O ILE B 40 -6.421 1.579 -1.789 1.00 0.00 O ATOM 1932 CB ILE B 40 -4.258 3.937 -0.559 1.00 0.00 C ATOM 1933 CG1 ILE B 40 -4.179 5.213 0.284 1.00 0.00 C ATOM 1934 CG2 ILE B 40 -4.305 4.283 -2.042 1.00 0.00 C ATOM 1935 CD1 ILE B 40 -5.340 6.161 0.076 1.00 0.00 C ATOM 0 H ILE B 40 -4.665 3.128 1.772 1.00 0.00 H new ATOM 0 HA ILE B 40 -6.393 3.652 -0.334 1.00 0.00 H new ATOM 0 HB ILE B 40 -3.361 3.348 -0.368 1.00 0.00 H new ATOM 0 HG12 ILE B 40 -4.132 4.938 1.338 1.00 0.00 H new ATOM 0 HG13 ILE B 40 -3.251 5.734 0.049 1.00 0.00 H new ATOM 0 HG21 ILE B 40 -3.436 4.887 -2.303 1.00 0.00 H new ATOM 0 HG22 ILE B 40 -4.299 3.365 -2.630 1.00 0.00 H new ATOM 0 HG23 ILE B 40 -5.214 4.845 -2.256 1.00 0.00 H new ATOM 0 HD11 ILE B 40 -5.210 7.039 0.708 1.00 0.00 H new ATOM 0 HD12 ILE B 40 -5.376 6.468 -0.969 1.00 0.00 H new ATOM 0 HD13 ILE B 40 -6.271 5.659 0.339 1.00 0.00 H new ATOM 1947 N ALA B 41 -4.457 0.992 -0.846 1.00 0.00 N ATOM 1948 CA ALA B 41 -4.299 -0.223 -1.631 1.00 0.00 C ATOM 1949 C ALA B 41 -5.488 -1.159 -1.446 1.00 0.00 C ATOM 1950 O ALA B 41 -6.068 -1.636 -2.421 1.00 0.00 O ATOM 1951 CB ALA B 41 -3.007 -0.925 -1.252 1.00 0.00 C ATOM 0 H ALA B 41 -3.712 1.152 -0.168 1.00 0.00 H new ATOM 0 HA ALA B 41 -4.255 0.056 -2.684 1.00 0.00 H new ATOM 0 HB1 ALA B 41 -2.899 -1.833 -1.845 1.00 0.00 H new ATOM 0 HB2 ALA B 41 -2.163 -0.263 -1.445 1.00 0.00 H new ATOM 0 HB3 ALA B 41 -3.031 -1.184 -0.193 1.00 0.00 H new ATOM 1957 N THR B 42 -5.859 -1.398 -0.194 1.00 0.00 N ATOM 1958 CA THR B 42 -6.944 -2.315 0.123 1.00 0.00 C ATOM 1959 C THR B 42 -8.260 -1.865 -0.517 1.00 0.00 C ATOM 1960 O THR B 42 -8.955 -2.664 -1.142 1.00 0.00 O ATOM 1961 CB THR B 42 -7.131 -2.446 1.647 1.00 0.00 C ATOM 1962 OG1 THR B 42 -5.891 -2.835 2.257 1.00 0.00 O ATOM 1963 CG2 THR B 42 -8.200 -3.476 1.975 1.00 0.00 C ATOM 0 H THR B 42 -5.422 -0.967 0.620 1.00 0.00 H new ATOM 0 HA THR B 42 -6.671 -3.288 -0.286 1.00 0.00 H new ATOM 0 HB THR B 42 -7.447 -1.479 2.037 1.00 0.00 H new ATOM 0 HG1 THR B 42 -5.285 -2.065 2.287 1.00 0.00 H new ATOM 0 HG21 THR B 42 -8.314 -3.551 3.056 1.00 0.00 H new ATOM 0 HG22 THR B 42 -9.147 -3.171 1.531 1.00 0.00 H new ATOM 0 HG23 THR B 42 -7.906 -4.446 1.573 1.00 0.00 H new ATOM 1971 N ASN B 43 -8.580 -0.580 -0.381 1.00 0.00 N ATOM 1972 CA ASN B 43 -9.829 -0.046 -0.915 1.00 0.00 C ATOM 1973 C ASN B 43 -9.891 -0.234 -2.428 1.00 0.00 C ATOM 1974 O ASN B 43 -10.932 -0.593 -2.982 1.00 0.00 O ATOM 1975 CB ASN B 43 -9.971 1.436 -0.573 1.00 0.00 C ATOM 1976 CG ASN B 43 -11.320 1.999 -0.983 1.00 0.00 C ATOM 1977 OD1 ASN B 43 -12.371 1.197 -0.860 1.00 0.00 O flip ATOM 1978 ND2 ASN B 43 -11.421 3.151 -1.400 1.00 0.00 N flip ATOM 0 H ASN B 43 -7.994 0.108 0.092 1.00 0.00 H new ATOM 0 HA ASN B 43 -10.652 -0.594 -0.457 1.00 0.00 H new ATOM 0 HB2 ASN B 43 -9.834 1.573 0.500 1.00 0.00 H new ATOM 0 HB3 ASN B 43 -9.180 1.998 -1.070 1.00 0.00 H new ATOM 0 HD21 ASN B 43 -10.591 3.739 -1.481 1.00 0.00 H new ATOM 0 HD22 ASN B 43 -12.335 3.519 -1.665 1.00 0.00 H new ATOM 1985 N VAL B 44 -8.772 0.003 -3.096 1.00 0.00 N ATOM 1986 CA VAL B 44 -8.680 -0.208 -4.536 1.00 0.00 C ATOM 1987 C VAL B 44 -8.820 -1.687 -4.871 1.00 0.00 C ATOM 1988 O VAL B 44 -9.500 -2.048 -5.835 1.00 0.00 O ATOM 1989 CB VAL B 44 -7.338 0.324 -5.088 1.00 0.00 C ATOM 1990 CG1 VAL B 44 -7.082 -0.140 -6.515 1.00 0.00 C ATOM 1991 CG2 VAL B 44 -7.309 1.839 -5.018 1.00 0.00 C ATOM 0 H VAL B 44 -7.912 0.342 -2.664 1.00 0.00 H new ATOM 0 HA VAL B 44 -9.495 0.343 -5.005 1.00 0.00 H new ATOM 0 HB VAL B 44 -6.543 -0.084 -4.464 1.00 0.00 H new ATOM 0 HG11 VAL B 44 -6.128 0.258 -6.861 1.00 0.00 H new ATOM 0 HG12 VAL B 44 -7.053 -1.229 -6.544 1.00 0.00 H new ATOM 0 HG13 VAL B 44 -7.882 0.219 -7.163 1.00 0.00 H new ATOM 0 HG21 VAL B 44 -6.359 2.203 -5.409 1.00 0.00 H new ATOM 0 HG22 VAL B 44 -8.127 2.246 -5.613 1.00 0.00 H new ATOM 0 HG23 VAL B 44 -7.420 2.158 -3.982 1.00 0.00 H new ATOM 2001 N LEU B 45 -8.194 -2.536 -4.066 1.00 0.00 N ATOM 2002 CA LEU B 45 -8.301 -3.982 -4.241 1.00 0.00 C ATOM 2003 C LEU B 45 -9.753 -4.429 -4.112 1.00 0.00 C ATOM 2004 O LEU B 45 -10.131 -5.489 -4.607 1.00 0.00 O ATOM 2005 CB LEU B 45 -7.440 -4.723 -3.216 1.00 0.00 C ATOM 2006 CG LEU B 45 -5.932 -4.519 -3.356 1.00 0.00 C ATOM 2007 CD1 LEU B 45 -5.193 -5.254 -2.250 1.00 0.00 C ATOM 2008 CD2 LEU B 45 -5.451 -4.990 -4.720 1.00 0.00 C ATOM 0 H LEU B 45 -7.606 -2.249 -3.284 1.00 0.00 H new ATOM 0 HA LEU B 45 -7.940 -4.225 -5.240 1.00 0.00 H new ATOM 0 HB2 LEU B 45 -7.741 -4.406 -2.217 1.00 0.00 H new ATOM 0 HB3 LEU B 45 -7.654 -5.789 -3.290 1.00 0.00 H new ATOM 0 HG LEU B 45 -5.720 -3.454 -3.267 1.00 0.00 H new ATOM 0 HD11 LEU B 45 -4.120 -5.099 -2.364 1.00 0.00 H new ATOM 0 HD12 LEU B 45 -5.514 -4.871 -1.281 1.00 0.00 H new ATOM 0 HD13 LEU B 45 -5.414 -6.320 -2.311 1.00 0.00 H new ATOM 0 HD21 LEU B 45 -4.375 -4.836 -4.799 1.00 0.00 H new ATOM 0 HD22 LEU B 45 -5.676 -6.050 -4.839 1.00 0.00 H new ATOM 0 HD23 LEU B 45 -5.957 -4.422 -5.500 1.00 0.00 H new ATOM 2020 N ASN B 46 -10.559 -3.610 -3.443 1.00 0.00 N ATOM 2021 CA ASN B 46 -11.976 -3.903 -3.271 1.00 0.00 C ATOM 2022 C ASN B 46 -12.795 -3.421 -4.464 1.00 0.00 C ATOM 2023 O ASN B 46 -13.549 -4.194 -5.056 1.00 0.00 O ATOM 2024 CB ASN B 46 -12.524 -3.246 -1.996 1.00 0.00 C ATOM 2025 CG ASN B 46 -11.781 -3.649 -0.735 1.00 0.00 C ATOM 2026 OD1 ASN B 46 -11.697 -2.871 0.215 1.00 0.00 O ATOM 2027 ND2 ASN B 46 -11.240 -4.859 -0.709 1.00 0.00 N ATOM 0 H ASN B 46 -10.254 -2.738 -3.011 1.00 0.00 H new ATOM 0 HA ASN B 46 -12.066 -4.986 -3.191 1.00 0.00 H new ATOM 0 HB2 ASN B 46 -12.475 -2.163 -2.106 1.00 0.00 H new ATOM 0 HB3 ASN B 46 -13.576 -3.508 -1.886 1.00 0.00 H new ATOM 0 HD21 ASN B 46 -10.733 -5.173 0.118 1.00 0.00 H new ATOM 0 HD22 ASN B 46 -11.331 -5.476 -1.516 1.00 0.00 H new ATOM 2034 N GLN B 47 -12.639 -2.151 -4.835 1.00 0.00 N ATOM 2035 CA GLN B 47 -13.588 -1.533 -5.758 1.00 0.00 C ATOM 2036 C GLN B 47 -12.973 -0.905 -7.014 1.00 0.00 C ATOM 2037 O GLN B 47 -13.708 -0.498 -7.910 1.00 0.00 O ATOM 2038 CB GLN B 47 -14.431 -0.496 -5.011 1.00 0.00 C ATOM 2039 CG GLN B 47 -13.657 0.446 -4.102 1.00 0.00 C ATOM 2040 CD GLN B 47 -13.000 1.586 -4.850 1.00 0.00 C ATOM 2041 OE1 GLN B 47 -13.484 2.019 -5.895 1.00 0.00 O ATOM 2042 NE2 GLN B 47 -11.901 2.090 -4.314 1.00 0.00 N ATOM 0 H GLN B 47 -11.884 -1.543 -4.520 1.00 0.00 H new ATOM 0 HA GLN B 47 -14.205 -2.352 -6.128 1.00 0.00 H new ATOM 0 HB2 GLN B 47 -14.975 0.100 -5.744 1.00 0.00 H new ATOM 0 HB3 GLN B 47 -15.175 -1.022 -4.412 1.00 0.00 H new ATOM 0 HG2 GLN B 47 -14.333 0.854 -3.351 1.00 0.00 H new ATOM 0 HG3 GLN B 47 -12.893 -0.119 -3.569 1.00 0.00 H new ATOM 0 HE21 GLN B 47 -11.533 1.702 -3.446 1.00 0.00 H new ATOM 0 HE22 GLN B 47 -11.422 2.867 -4.769 1.00 0.00 H new ATOM 2051 N ARG B 48 -11.658 -0.815 -7.106 1.00 0.00 N ATOM 2052 CA ARG B 48 -11.056 -0.154 -8.266 1.00 0.00 C ATOM 2053 C ARG B 48 -10.331 -1.135 -9.185 1.00 0.00 C ATOM 2054 O ARG B 48 -10.471 -1.064 -10.406 1.00 0.00 O ATOM 2055 CB ARG B 48 -10.104 0.963 -7.831 1.00 0.00 C ATOM 2056 CG ARG B 48 -10.784 2.279 -7.468 1.00 0.00 C ATOM 2057 CD ARG B 48 -11.548 2.881 -8.640 1.00 0.00 C ATOM 2058 NE ARG B 48 -12.828 2.212 -8.876 1.00 0.00 N ATOM 2059 CZ ARG B 48 -13.449 2.174 -10.054 1.00 0.00 C ATOM 2060 NH1 ARG B 48 -12.908 2.754 -11.119 1.00 0.00 N ATOM 2061 NH2 ARG B 48 -14.611 1.550 -10.162 1.00 0.00 N ATOM 0 H ARG B 48 -10.998 -1.177 -6.418 1.00 0.00 H new ATOM 0 HA ARG B 48 -11.877 0.282 -8.835 1.00 0.00 H new ATOM 0 HB2 ARG B 48 -9.530 0.618 -6.971 1.00 0.00 H new ATOM 0 HB3 ARG B 48 -9.392 1.148 -8.635 1.00 0.00 H new ATOM 0 HG2 ARG B 48 -11.470 2.113 -6.637 1.00 0.00 H new ATOM 0 HG3 ARG B 48 -10.033 2.990 -7.124 1.00 0.00 H new ATOM 0 HD2 ARG B 48 -11.724 3.940 -8.449 1.00 0.00 H new ATOM 0 HD3 ARG B 48 -10.936 2.817 -9.540 1.00 0.00 H new ATOM 0 HE ARG B 48 -13.274 1.744 -8.087 1.00 0.00 H new ATOM 0 HH11 ARG B 48 -12.011 3.233 -11.038 1.00 0.00 H new ATOM 0 HH12 ARG B 48 -13.389 2.721 -12.018 1.00 0.00 H new ATOM 0 HH21 ARG B 48 -15.027 1.101 -9.346 1.00 0.00 H new ATOM 0 HH22 ARG B 48 -15.091 1.518 -11.061 1.00 0.00 H new ATOM 2075 N VAL B 49 -9.572 -2.055 -8.607 1.00 0.00 N ATOM 2076 CA VAL B 49 -8.798 -3.001 -9.398 1.00 0.00 C ATOM 2077 C VAL B 49 -9.722 -4.018 -10.070 1.00 0.00 C ATOM 2078 O VAL B 49 -10.858 -4.213 -9.639 1.00 0.00 O ATOM 2079 CB VAL B 49 -7.743 -3.730 -8.529 1.00 0.00 C ATOM 2080 CG1 VAL B 49 -8.395 -4.717 -7.578 1.00 0.00 C ATOM 2081 CG2 VAL B 49 -6.706 -4.421 -9.399 1.00 0.00 C ATOM 0 H VAL B 49 -9.476 -2.166 -7.598 1.00 0.00 H new ATOM 0 HA VAL B 49 -8.271 -2.438 -10.169 1.00 0.00 H new ATOM 0 HB VAL B 49 -7.234 -2.977 -7.927 1.00 0.00 H new ATOM 0 HG11 VAL B 49 -7.627 -5.211 -6.983 1.00 0.00 H new ATOM 0 HG12 VAL B 49 -9.080 -4.187 -6.917 1.00 0.00 H new ATOM 0 HG13 VAL B 49 -8.947 -5.463 -8.150 1.00 0.00 H new ATOM 0 HG21 VAL B 49 -5.977 -4.925 -8.765 1.00 0.00 H new ATOM 0 HG22 VAL B 49 -7.198 -5.153 -10.039 1.00 0.00 H new ATOM 0 HG23 VAL B 49 -6.198 -3.681 -10.018 1.00 0.00 H new ATOM 2091 N ALA B 50 -9.244 -4.632 -11.145 1.00 0.00 N ATOM 2092 CA ALA B 50 -10.007 -5.651 -11.849 1.00 0.00 C ATOM 2093 C ALA B 50 -10.212 -6.884 -10.973 1.00 0.00 C ATOM 2094 O ALA B 50 -9.300 -7.312 -10.259 1.00 0.00 O ATOM 2095 CB ALA B 50 -9.307 -6.030 -13.147 1.00 0.00 C ATOM 0 H ALA B 50 -8.327 -4.440 -11.549 1.00 0.00 H new ATOM 0 HA ALA B 50 -10.988 -5.240 -12.086 1.00 0.00 H new ATOM 0 HB1 ALA B 50 -9.888 -6.793 -13.664 1.00 0.00 H new ATOM 0 HB2 ALA B 50 -9.218 -5.149 -13.783 1.00 0.00 H new ATOM 0 HB3 ALA B 50 -8.313 -6.419 -12.924 1.00 0.00 H new ATOM 2101 N ALA B 51 -11.410 -7.450 -11.035 1.00 0.00 N ATOM 2102 CA ALA B 51 -11.759 -8.619 -10.234 1.00 0.00 C ATOM 2103 C ALA B 51 -10.872 -9.814 -10.561 1.00 0.00 C ATOM 2104 O ALA B 51 -10.590 -10.644 -9.701 1.00 0.00 O ATOM 2105 CB ALA B 51 -13.219 -8.982 -10.443 1.00 0.00 C ATOM 0 H ALA B 51 -12.163 -7.116 -11.637 1.00 0.00 H new ATOM 0 HA ALA B 51 -11.596 -8.361 -9.188 1.00 0.00 H new ATOM 0 HB1 ALA B 51 -13.467 -9.856 -9.840 1.00 0.00 H new ATOM 0 HB2 ALA B 51 -13.849 -8.144 -10.144 1.00 0.00 H new ATOM 0 HB3 ALA B 51 -13.391 -9.207 -11.496 1.00 0.00 H new ATOM 2111 N SER B 52 -10.419 -9.894 -11.799 1.00 0.00 N ATOM 2112 CA SER B 52 -9.584 -11.006 -12.227 1.00 0.00 C ATOM 2113 C SER B 52 -8.103 -10.691 -12.015 1.00 0.00 C ATOM 2114 O SER B 52 -7.232 -11.477 -12.392 1.00 0.00 O ATOM 2115 CB SER B 52 -9.855 -11.322 -13.701 1.00 0.00 C ATOM 2116 OG SER B 52 -9.236 -12.534 -14.099 1.00 0.00 O ATOM 0 H SER B 52 -10.614 -9.205 -12.526 1.00 0.00 H new ATOM 0 HA SER B 52 -9.833 -11.878 -11.622 1.00 0.00 H new ATOM 0 HB2 SER B 52 -10.930 -11.391 -13.867 1.00 0.00 H new ATOM 0 HB3 SER B 52 -9.488 -10.505 -14.322 1.00 0.00 H new ATOM 0 HG SER B 52 -8.416 -12.669 -13.579 1.00 0.00 H new ATOM 2122 N GLN B 53 -7.816 -9.551 -11.395 1.00 0.00 N ATOM 2123 CA GLN B 53 -6.437 -9.114 -11.222 1.00 0.00 C ATOM 2124 C GLN B 53 -6.123 -8.855 -9.744 1.00 0.00 C ATOM 2125 O GLN B 53 -5.034 -8.395 -9.410 1.00 0.00 O ATOM 2126 CB GLN B 53 -6.194 -7.834 -12.034 1.00 0.00 C ATOM 2127 CG GLN B 53 -4.755 -7.628 -12.460 1.00 0.00 C ATOM 2128 CD GLN B 53 -4.285 -8.685 -13.444 1.00 0.00 C ATOM 2129 OE1 GLN B 53 -3.742 -9.716 -13.053 1.00 0.00 O ATOM 2130 NE2 GLN B 53 -4.504 -8.444 -14.728 1.00 0.00 N ATOM 0 H GLN B 53 -8.515 -8.918 -11.007 1.00 0.00 H new ATOM 0 HA GLN B 53 -5.779 -9.906 -11.579 1.00 0.00 H new ATOM 0 HB2 GLN B 53 -6.824 -7.857 -12.923 1.00 0.00 H new ATOM 0 HB3 GLN B 53 -6.511 -6.976 -11.441 1.00 0.00 H new ATOM 0 HG2 GLN B 53 -4.651 -6.642 -12.913 1.00 0.00 H new ATOM 0 HG3 GLN B 53 -4.113 -7.644 -11.580 1.00 0.00 H new ATOM 0 HE21 GLN B 53 -4.958 -7.576 -15.014 1.00 0.00 H new ATOM 0 HE22 GLN B 53 -4.219 -9.126 -15.431 1.00 0.00 H new ATOM 2139 N ARG B 54 -7.077 -9.180 -8.869 1.00 0.00 N ATOM 2140 CA ARG B 54 -6.977 -8.844 -7.439 1.00 0.00 C ATOM 2141 C ARG B 54 -5.686 -9.385 -6.811 1.00 0.00 C ATOM 2142 O ARG B 54 -4.788 -8.627 -6.448 1.00 0.00 O ATOM 2143 CB ARG B 54 -8.163 -9.431 -6.657 1.00 0.00 C ATOM 2144 CG ARG B 54 -9.538 -9.158 -7.247 1.00 0.00 C ATOM 2145 CD ARG B 54 -10.104 -7.819 -6.809 1.00 0.00 C ATOM 2146 NE ARG B 54 -11.535 -7.728 -7.102 1.00 0.00 N ATOM 2147 CZ ARG B 54 -12.204 -6.586 -7.244 1.00 0.00 C ATOM 2148 NH1 ARG B 54 -11.604 -5.425 -7.048 1.00 0.00 N ATOM 2149 NH2 ARG B 54 -13.490 -6.605 -7.569 1.00 0.00 N ATOM 0 H ARG B 54 -7.931 -9.677 -9.122 1.00 0.00 H new ATOM 0 HA ARG B 54 -6.979 -7.756 -7.379 1.00 0.00 H new ATOM 0 HB2 ARG B 54 -8.027 -10.510 -6.582 1.00 0.00 H new ATOM 0 HB3 ARG B 54 -8.138 -9.035 -5.642 1.00 0.00 H new ATOM 0 HG2 ARG B 54 -9.474 -9.183 -8.335 1.00 0.00 H new ATOM 0 HG3 ARG B 54 -10.222 -9.953 -6.949 1.00 0.00 H new ATOM 0 HD2 ARG B 54 -9.940 -7.684 -5.740 1.00 0.00 H new ATOM 0 HD3 ARG B 54 -9.574 -7.013 -7.317 1.00 0.00 H new ATOM 0 HE ARG B 54 -12.055 -8.599 -7.204 1.00 0.00 H new ATOM 0 HH11 ARG B 54 -10.619 -5.398 -6.785 1.00 0.00 H new ATOM 0 HH12 ARG B 54 -12.126 -4.556 -7.160 1.00 0.00 H new ATOM 0 HH21 ARG B 54 -13.967 -7.495 -7.710 1.00 0.00 H new ATOM 0 HH22 ARG B 54 -14.002 -5.729 -7.678 1.00 0.00 H new ATOM 2163 N LYS B 55 -5.609 -10.707 -6.687 1.00 0.00 N ATOM 2164 CA LYS B 55 -4.514 -11.356 -5.969 1.00 0.00 C ATOM 2165 C LYS B 55 -3.204 -11.215 -6.739 1.00 0.00 C ATOM 2166 O LYS B 55 -2.133 -11.098 -6.148 1.00 0.00 O ATOM 2167 CB LYS B 55 -4.852 -12.835 -5.747 1.00 0.00 C ATOM 2168 CG LYS B 55 -4.376 -13.400 -4.410 1.00 0.00 C ATOM 2169 CD LYS B 55 -2.872 -13.623 -4.373 1.00 0.00 C ATOM 2170 CE LYS B 55 -2.432 -14.214 -3.041 1.00 0.00 C ATOM 2171 NZ LYS B 55 -0.986 -14.556 -3.032 1.00 0.00 N ATOM 0 H LYS B 55 -6.295 -11.353 -7.076 1.00 0.00 H new ATOM 0 HA LYS B 55 -4.388 -10.869 -5.002 1.00 0.00 H new ATOM 0 HB2 LYS B 55 -5.932 -12.962 -5.817 1.00 0.00 H new ATOM 0 HB3 LYS B 55 -4.409 -13.421 -6.553 1.00 0.00 H new ATOM 0 HG2 LYS B 55 -4.658 -12.716 -3.609 1.00 0.00 H new ATOM 0 HG3 LYS B 55 -4.885 -14.344 -4.217 1.00 0.00 H new ATOM 0 HD2 LYS B 55 -2.582 -14.292 -5.183 1.00 0.00 H new ATOM 0 HD3 LYS B 55 -2.358 -12.677 -4.541 1.00 0.00 H new ATOM 0 HE2 LYS B 55 -2.641 -13.502 -2.242 1.00 0.00 H new ATOM 0 HE3 LYS B 55 -3.017 -15.109 -2.831 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 -0.800 -15.256 -2.286 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 -0.718 -14.953 -3.955 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 -0.427 -13.698 -2.849 1.00 0.00 H new ATOM 2185 N LEU B 56 -3.305 -11.206 -8.061 1.00 0.00 N ATOM 2186 CA LEU B 56 -2.134 -11.103 -8.920 1.00 0.00 C ATOM 2187 C LEU B 56 -1.442 -9.757 -8.712 1.00 0.00 C ATOM 2188 O LEU B 56 -0.221 -9.688 -8.553 1.00 0.00 O ATOM 2189 CB LEU B 56 -2.551 -11.286 -10.390 1.00 0.00 C ATOM 2190 CG LEU B 56 -1.421 -11.592 -11.391 1.00 0.00 C ATOM 2191 CD1 LEU B 56 -0.594 -10.353 -11.703 1.00 0.00 C ATOM 2192 CD2 LEU B 56 -0.529 -12.703 -10.860 1.00 0.00 C ATOM 0 H LEU B 56 -4.190 -11.269 -8.564 1.00 0.00 H new ATOM 0 HA LEU B 56 -1.426 -11.890 -8.659 1.00 0.00 H new ATOM 0 HB2 LEU B 56 -3.280 -12.095 -10.440 1.00 0.00 H new ATOM 0 HB3 LEU B 56 -3.059 -10.379 -10.716 1.00 0.00 H new ATOM 0 HG LEU B 56 -1.885 -11.922 -12.320 1.00 0.00 H new ATOM 0 HD11 LEU B 56 0.193 -10.610 -12.412 1.00 0.00 H new ATOM 0 HD12 LEU B 56 -1.237 -9.586 -12.136 1.00 0.00 H new ATOM 0 HD13 LEU B 56 -0.145 -9.975 -10.785 1.00 0.00 H new ATOM 0 HD21 LEU B 56 0.264 -12.907 -11.579 1.00 0.00 H new ATOM 0 HD22 LEU B 56 -0.089 -12.394 -9.912 1.00 0.00 H new ATOM 0 HD23 LEU B 56 -1.122 -13.605 -10.708 1.00 0.00 H new ATOM 2204 N ILE B 57 -2.229 -8.689 -8.694 1.00 0.00 N ATOM 2205 CA ILE B 57 -1.678 -7.355 -8.555 1.00 0.00 C ATOM 2206 C ILE B 57 -1.169 -7.131 -7.132 1.00 0.00 C ATOM 2207 O ILE B 57 -0.216 -6.381 -6.921 1.00 0.00 O ATOM 2208 CB ILE B 57 -2.708 -6.267 -8.937 1.00 0.00 C ATOM 2209 CG1 ILE B 57 -1.993 -4.973 -9.314 1.00 0.00 C ATOM 2210 CG2 ILE B 57 -3.689 -6.011 -7.798 1.00 0.00 C ATOM 2211 CD1 ILE B 57 -2.926 -3.920 -9.861 1.00 0.00 C ATOM 0 H ILE B 57 -3.245 -8.724 -8.774 1.00 0.00 H new ATOM 0 HA ILE B 57 -0.840 -7.273 -9.247 1.00 0.00 H new ATOM 0 HB ILE B 57 -3.274 -6.626 -9.797 1.00 0.00 H new ATOM 0 HG12 ILE B 57 -1.483 -4.577 -8.436 1.00 0.00 H new ATOM 0 HG13 ILE B 57 -1.226 -5.192 -10.057 1.00 0.00 H new ATOM 0 HG21 ILE B 57 -4.401 -5.241 -8.097 1.00 0.00 H new ATOM 0 HG22 ILE B 57 -4.226 -6.931 -7.566 1.00 0.00 H new ATOM 0 HG23 ILE B 57 -3.143 -5.677 -6.916 1.00 0.00 H new ATOM 0 HD11 ILE B 57 -2.357 -3.024 -10.110 1.00 0.00 H new ATOM 0 HD12 ILE B 57 -3.417 -4.299 -10.757 1.00 0.00 H new ATOM 0 HD13 ILE B 57 -3.678 -3.675 -9.111 1.00 0.00 H new ATOM 2223 N ALA B 58 -1.791 -7.800 -6.162 1.00 0.00 N ATOM 2224 CA ALA B 58 -1.342 -7.719 -4.781 1.00 0.00 C ATOM 2225 C ALA B 58 0.032 -8.361 -4.640 1.00 0.00 C ATOM 2226 O ALA B 58 0.869 -7.903 -3.861 1.00 0.00 O ATOM 2227 CB ALA B 58 -2.347 -8.373 -3.845 1.00 0.00 C ATOM 0 H ALA B 58 -2.603 -8.400 -6.310 1.00 0.00 H new ATOM 0 HA ALA B 58 -1.264 -6.668 -4.501 1.00 0.00 H new ATOM 0 HB1 ALA B 58 -1.989 -8.300 -2.818 1.00 0.00 H new ATOM 0 HB2 ALA B 58 -3.308 -7.866 -3.931 1.00 0.00 H new ATOM 0 HB3 ALA B 58 -2.465 -9.423 -4.114 1.00 0.00 H new ATOM 2233 N GLU B 59 0.265 -9.412 -5.419 1.00 0.00 N ATOM 2234 CA GLU B 59 1.571 -10.051 -5.472 1.00 0.00 C ATOM 2235 C GLU B 59 2.614 -9.089 -6.016 1.00 0.00 C ATOM 2236 O GLU B 59 3.706 -8.972 -5.465 1.00 0.00 O ATOM 2237 CB GLU B 59 1.529 -11.304 -6.340 1.00 0.00 C ATOM 2238 CG GLU B 59 0.785 -12.461 -5.704 1.00 0.00 C ATOM 2239 CD GLU B 59 1.427 -12.915 -4.412 1.00 0.00 C ATOM 2240 OE1 GLU B 59 2.522 -13.513 -4.466 1.00 0.00 O ATOM 2241 OE2 GLU B 59 0.833 -12.692 -3.339 1.00 0.00 O ATOM 0 H GLU B 59 -0.437 -9.839 -6.023 1.00 0.00 H new ATOM 0 HA GLU B 59 1.843 -10.337 -4.456 1.00 0.00 H new ATOM 0 HB2 GLU B 59 1.058 -11.060 -7.292 1.00 0.00 H new ATOM 0 HB3 GLU B 59 2.550 -11.617 -6.560 1.00 0.00 H new ATOM 0 HG2 GLU B 59 -0.246 -12.165 -5.510 1.00 0.00 H new ATOM 0 HG3 GLU B 59 0.751 -13.296 -6.403 1.00 0.00 H new ATOM 2248 N LYS B 60 2.268 -8.392 -7.095 1.00 0.00 N ATOM 2249 CA LYS B 60 3.179 -7.426 -7.700 1.00 0.00 C ATOM 2250 C LYS B 60 3.392 -6.221 -6.793 1.00 0.00 C ATOM 2251 O LYS B 60 4.462 -5.619 -6.795 1.00 0.00 O ATOM 2252 CB LYS B 60 2.663 -6.959 -9.059 1.00 0.00 C ATOM 2253 CG LYS B 60 2.907 -7.951 -10.183 1.00 0.00 C ATOM 2254 CD LYS B 60 2.627 -7.321 -11.541 1.00 0.00 C ATOM 2255 CE LYS B 60 3.429 -6.037 -11.741 1.00 0.00 C ATOM 2256 NZ LYS B 60 4.902 -6.277 -11.701 1.00 0.00 N ATOM 0 H LYS B 60 1.367 -8.478 -7.566 1.00 0.00 H new ATOM 0 HA LYS B 60 4.135 -7.931 -7.839 1.00 0.00 H new ATOM 0 HB2 LYS B 60 1.593 -6.766 -8.984 1.00 0.00 H new ATOM 0 HB3 LYS B 60 3.141 -6.013 -9.313 1.00 0.00 H new ATOM 0 HG2 LYS B 60 3.939 -8.300 -10.146 1.00 0.00 H new ATOM 0 HG3 LYS B 60 2.270 -8.825 -10.046 1.00 0.00 H new ATOM 0 HD2 LYS B 60 2.874 -8.031 -12.330 1.00 0.00 H new ATOM 0 HD3 LYS B 60 1.563 -7.103 -11.629 1.00 0.00 H new ATOM 0 HE2 LYS B 60 3.162 -5.590 -12.698 1.00 0.00 H new ATOM 0 HE3 LYS B 60 3.159 -5.318 -10.967 1.00 0.00 H new ATOM 0 HZ1 LYS B 60 5.404 -5.386 -11.892 1.00 0.00 H new ATOM 0 HZ2 LYS B 60 5.171 -6.631 -10.761 1.00 0.00 H new ATOM 0 HZ3 LYS B 60 5.159 -6.981 -12.423 1.00 0.00 H new ATOM 2270 N PHE B 61 2.370 -5.871 -6.030 1.00 0.00 N ATOM 2271 CA PHE B 61 2.472 -4.781 -5.072 1.00 0.00 C ATOM 2272 C PHE B 61 3.479 -5.132 -3.983 1.00 0.00 C ATOM 2273 O PHE B 61 4.375 -4.346 -3.670 1.00 0.00 O ATOM 2274 CB PHE B 61 1.100 -4.489 -4.462 1.00 0.00 C ATOM 2275 CG PHE B 61 1.113 -3.375 -3.461 1.00 0.00 C ATOM 2276 CD1 PHE B 61 1.105 -2.054 -3.875 1.00 0.00 C ATOM 2277 CD2 PHE B 61 1.135 -3.650 -2.107 1.00 0.00 C ATOM 2278 CE1 PHE B 61 1.114 -1.026 -2.957 1.00 0.00 C ATOM 2279 CE2 PHE B 61 1.146 -2.631 -1.182 1.00 0.00 C ATOM 2280 CZ PHE B 61 1.137 -1.314 -1.605 1.00 0.00 C ATOM 0 H PHE B 61 1.458 -6.327 -6.055 1.00 0.00 H new ATOM 0 HA PHE B 61 2.820 -3.886 -5.588 1.00 0.00 H new ATOM 0 HB2 PHE B 61 0.402 -4.240 -5.261 1.00 0.00 H new ATOM 0 HB3 PHE B 61 0.725 -5.393 -3.982 1.00 0.00 H new ATOM 0 HD1 PHE B 61 1.092 -1.826 -4.931 1.00 0.00 H new ATOM 0 HD2 PHE B 61 1.144 -4.676 -1.771 1.00 0.00 H new ATOM 0 HE1 PHE B 61 1.103 0.001 -3.292 1.00 0.00 H new ATOM 0 HE2 PHE B 61 1.162 -2.859 -0.127 1.00 0.00 H new ATOM 0 HZ PHE B 61 1.148 -0.513 -0.881 1.00 0.00 H new ATOM 2290 N ALA B 62 3.332 -6.321 -3.416 1.00 0.00 N ATOM 2291 CA ALA B 62 4.274 -6.812 -2.424 1.00 0.00 C ATOM 2292 C ALA B 62 5.649 -6.989 -3.056 1.00 0.00 C ATOM 2293 O ALA B 62 6.672 -6.690 -2.442 1.00 0.00 O ATOM 2294 CB ALA B 62 3.776 -8.119 -1.836 1.00 0.00 C ATOM 0 H ALA B 62 2.568 -6.963 -3.627 1.00 0.00 H new ATOM 0 HA ALA B 62 4.358 -6.084 -1.617 1.00 0.00 H new ATOM 0 HB1 ALA B 62 4.489 -8.479 -1.094 1.00 0.00 H new ATOM 0 HB2 ALA B 62 2.808 -7.959 -1.362 1.00 0.00 H new ATOM 0 HB3 ALA B 62 3.674 -8.859 -2.629 1.00 0.00 H new ATOM 2300 N GLN B 63 5.652 -7.470 -4.295 1.00 0.00 N ATOM 2301 CA GLN B 63 6.864 -7.570 -5.098 1.00 0.00 C ATOM 2302 C GLN B 63 7.577 -6.229 -5.153 1.00 0.00 C ATOM 2303 O GLN B 63 8.779 -6.160 -4.933 1.00 0.00 O ATOM 2304 CB GLN B 63 6.511 -8.024 -6.515 1.00 0.00 C ATOM 2305 CG GLN B 63 7.649 -7.941 -7.517 1.00 0.00 C ATOM 2306 CD GLN B 63 7.166 -8.194 -8.930 1.00 0.00 C ATOM 2307 OE1 GLN B 63 6.749 -7.271 -9.636 1.00 0.00 O ATOM 2308 NE2 GLN B 63 7.213 -9.443 -9.356 1.00 0.00 N ATOM 0 H GLN B 63 4.813 -7.802 -4.770 1.00 0.00 H new ATOM 0 HA GLN B 63 7.528 -8.302 -4.637 1.00 0.00 H new ATOM 0 HB2 GLN B 63 6.158 -9.054 -6.473 1.00 0.00 H new ATOM 0 HB3 GLN B 63 5.681 -7.418 -6.879 1.00 0.00 H new ATOM 0 HG2 GLN B 63 8.113 -6.956 -7.461 1.00 0.00 H new ATOM 0 HG3 GLN B 63 8.417 -8.670 -7.258 1.00 0.00 H new ATOM 0 HE21 GLN B 63 7.564 -10.178 -8.742 1.00 0.00 H new ATOM 0 HE22 GLN B 63 6.898 -9.673 -10.299 1.00 0.00 H new ATOM 2317 N ALA B 64 6.828 -5.170 -5.446 1.00 0.00 N ATOM 2318 CA ALA B 64 7.381 -3.824 -5.507 1.00 0.00 C ATOM 2319 C ALA B 64 8.081 -3.468 -4.204 1.00 0.00 C ATOM 2320 O ALA B 64 9.196 -2.950 -4.209 1.00 0.00 O ATOM 2321 CB ALA B 64 6.282 -2.817 -5.814 1.00 0.00 C ATOM 0 H ALA B 64 5.829 -5.221 -5.646 1.00 0.00 H new ATOM 0 HA ALA B 64 8.119 -3.791 -6.308 1.00 0.00 H new ATOM 0 HB1 ALA B 64 6.708 -1.815 -5.857 1.00 0.00 H new ATOM 0 HB2 ALA B 64 5.825 -3.058 -6.774 1.00 0.00 H new ATOM 0 HB3 ALA B 64 5.524 -2.856 -5.032 1.00 0.00 H new ATOM 2327 N LEU B 65 7.431 -3.777 -3.091 1.00 0.00 N ATOM 2328 CA LEU B 65 7.996 -3.512 -1.771 1.00 0.00 C ATOM 2329 C LEU B 65 9.270 -4.323 -1.533 1.00 0.00 C ATOM 2330 O LEU B 65 10.283 -3.782 -1.100 1.00 0.00 O ATOM 2331 CB LEU B 65 6.972 -3.819 -0.674 1.00 0.00 C ATOM 2332 CG LEU B 65 6.061 -2.655 -0.278 1.00 0.00 C ATOM 2333 CD1 LEU B 65 5.190 -2.213 -1.441 1.00 0.00 C ATOM 2334 CD2 LEU B 65 5.204 -3.045 0.915 1.00 0.00 C ATOM 0 H LEU B 65 6.509 -4.213 -3.074 1.00 0.00 H new ATOM 0 HA LEU B 65 8.254 -2.454 -1.734 1.00 0.00 H new ATOM 0 HB2 LEU B 65 6.348 -4.649 -1.006 1.00 0.00 H new ATOM 0 HB3 LEU B 65 7.507 -4.157 0.214 1.00 0.00 H new ATOM 0 HG LEU B 65 6.691 -1.810 0.001 1.00 0.00 H new ATOM 0 HD11 LEU B 65 4.555 -1.385 -1.126 1.00 0.00 H new ATOM 0 HD12 LEU B 65 5.823 -1.891 -2.268 1.00 0.00 H new ATOM 0 HD13 LEU B 65 4.566 -3.046 -1.765 1.00 0.00 H new ATOM 0 HD21 LEU B 65 4.560 -2.210 1.189 1.00 0.00 H new ATOM 0 HD22 LEU B 65 4.590 -3.907 0.655 1.00 0.00 H new ATOM 0 HD23 LEU B 65 5.847 -3.298 1.758 1.00 0.00 H new ATOM 2346 N MET B 66 9.223 -5.615 -1.838 1.00 0.00 N ATOM 2347 CA MET B 66 10.373 -6.494 -1.612 1.00 0.00 C ATOM 2348 C MET B 66 11.513 -6.152 -2.568 1.00 0.00 C ATOM 2349 O MET B 66 12.689 -6.311 -2.239 1.00 0.00 O ATOM 2350 CB MET B 66 9.978 -7.964 -1.787 1.00 0.00 C ATOM 2351 CG MET B 66 8.765 -8.374 -0.971 1.00 0.00 C ATOM 2352 SD MET B 66 8.968 -8.087 0.797 1.00 0.00 S ATOM 2353 CE MET B 66 7.314 -8.463 1.366 1.00 0.00 C ATOM 0 H MET B 66 8.408 -6.078 -2.240 1.00 0.00 H new ATOM 0 HA MET B 66 10.712 -6.339 -0.588 1.00 0.00 H new ATOM 0 HB2 MET B 66 9.776 -8.153 -2.841 1.00 0.00 H new ATOM 0 HB3 MET B 66 10.823 -8.593 -1.506 1.00 0.00 H new ATOM 0 HG2 MET B 66 7.894 -7.822 -1.324 1.00 0.00 H new ATOM 0 HG3 MET B 66 8.562 -9.432 -1.140 1.00 0.00 H new ATOM 0 HE1 MET B 66 7.263 -8.335 2.447 1.00 0.00 H new ATOM 0 HE2 MET B 66 6.603 -7.790 0.887 1.00 0.00 H new ATOM 0 HE3 MET B 66 7.067 -9.493 1.111 1.00 0.00 H new ATOM 2363 N SER B 67 11.153 -5.675 -3.749 1.00 0.00 N ATOM 2364 CA SER B 67 12.124 -5.327 -4.773 1.00 0.00 C ATOM 2365 C SER B 67 12.760 -3.966 -4.487 1.00 0.00 C ATOM 2366 O SER B 67 13.824 -3.646 -5.015 1.00 0.00 O ATOM 2367 CB SER B 67 11.451 -5.337 -6.148 1.00 0.00 C ATOM 2368 OG SER B 67 10.947 -6.627 -6.452 1.00 0.00 O ATOM 0 H SER B 67 10.183 -5.519 -4.024 1.00 0.00 H new ATOM 0 HA SER B 67 12.922 -6.070 -4.765 1.00 0.00 H new ATOM 0 HB2 SER B 67 10.638 -4.611 -6.166 1.00 0.00 H new ATOM 0 HB3 SER B 67 12.167 -5.032 -6.911 1.00 0.00 H new ATOM 0 HG SER B 67 10.089 -6.758 -5.997 1.00 0.00 H new ATOM 2374 N SER B 68 12.110 -3.171 -3.643 1.00 0.00 N ATOM 2375 CA SER B 68 12.660 -1.888 -3.236 1.00 0.00 C ATOM 2376 C SER B 68 13.148 -1.950 -1.791 1.00 0.00 C ATOM 2377 O SER B 68 13.546 -0.938 -1.211 1.00 0.00 O ATOM 2378 CB SER B 68 11.618 -0.778 -3.409 1.00 0.00 C ATOM 2379 OG SER B 68 10.406 -1.093 -2.744 1.00 0.00 O ATOM 0 H SER B 68 11.204 -3.394 -3.230 1.00 0.00 H new ATOM 0 HA SER B 68 13.513 -1.659 -3.875 1.00 0.00 H new ATOM 0 HB2 SER B 68 12.015 0.159 -3.019 1.00 0.00 H new ATOM 0 HB3 SER B 68 11.422 -0.624 -4.470 1.00 0.00 H new ATOM 0 HG SER B 68 9.850 -1.653 -3.325 1.00 0.00 H new ATOM 2385 N LEU B 69 13.118 -3.150 -1.217 1.00 0.00 N ATOM 2386 CA LEU B 69 13.592 -3.363 0.141 1.00 0.00 C ATOM 2387 C LEU B 69 15.113 -3.371 0.165 1.00 0.00 C ATOM 2388 O LEU B 69 15.745 -4.420 0.013 1.00 0.00 O ATOM 2389 CB LEU B 69 13.050 -4.681 0.708 1.00 0.00 C ATOM 2390 CG LEU B 69 13.445 -4.978 2.156 1.00 0.00 C ATOM 2391 CD1 LEU B 69 12.702 -4.063 3.119 1.00 0.00 C ATOM 2392 CD2 LEU B 69 13.191 -6.439 2.487 1.00 0.00 C ATOM 0 H LEU B 69 12.768 -3.991 -1.676 1.00 0.00 H new ATOM 0 HA LEU B 69 13.228 -2.547 0.765 1.00 0.00 H new ATOM 0 HB2 LEU B 69 11.962 -4.667 0.640 1.00 0.00 H new ATOM 0 HB3 LEU B 69 13.398 -5.500 0.078 1.00 0.00 H new ATOM 0 HG LEU B 69 14.512 -4.784 2.268 1.00 0.00 H new ATOM 0 HD11 LEU B 69 12.999 -4.293 4.142 1.00 0.00 H new ATOM 0 HD12 LEU B 69 12.946 -3.024 2.895 1.00 0.00 H new ATOM 0 HD13 LEU B 69 11.628 -4.215 3.010 1.00 0.00 H new ATOM 0 HD21 LEU B 69 13.477 -6.633 3.521 1.00 0.00 H new ATOM 0 HD22 LEU B 69 12.132 -6.663 2.356 1.00 0.00 H new ATOM 0 HD23 LEU B 69 13.781 -7.070 1.822 1.00 0.00 H new