USER MOD reduce.3.24.130724 H: found=0, std=0, add=620, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 617 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 69 ASN : amide:sc= -0.157 K(o=-1.3,f=-4.3!) USER MOD Set 1.2: A 72 LYS NZ :NH3+ -163:sc= -1.11 (180deg=-1.7!) USER MOD Set 2.1: A 39 HIS : no HE2:sc= -6.17! C(o=-7.6!,f=-7.4!) USER MOD Set 2.2: A 43 MET CE :methyl -119:sc= -1.44 (180deg=-8.12!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 HIS : no HD1:sc= -0.577 X(o=-0.58,f=-0.092) USER MOD Single : A 6 SER OG : rot 123:sc= 1.18 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot -165:sc= 2.01 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.0735 USER MOD Single : A 17 GLN : amide:sc= 0.648 K(o=0.65,f=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot -42:sc= 1.26 USER MOD Single : A 23 CYS SG : rot 78:sc= 0.0388 USER MOD Single : A 24 ASN : amide:sc= 0.439 K(o=0.44,f=-0.15) USER MOD Single : A 27 THR OG1 : rot -27:sc= -0.472 USER MOD Single : A 28 SER OG : rot -161:sc= 0.631 USER MOD Single : A 29 SER OG : rot 127:sc= 1.23 USER MOD Single : A 35 LYS NZ :NH3+ 148:sc= 0.884 (180deg=-0.804) USER MOD Single : A 38 THR OG1 : rot 82:sc= 1.2 USER MOD Single : A 44 THR OG1 : rot 99:sc= 0.0557 USER MOD Single : A 46 HIS : no HD1:sc= -7.45 X(o=-7.4,f=-7.5!) USER MOD Single : A 48 SER OG : rot -138:sc= 0.271 USER MOD Single : A 50 SER OG : rot -94:sc= 1.22 USER MOD Single : A 54 TYR OH : rot -23:sc= 1.07 USER MOD Single : A 55 TYR OH : rot -102:sc= 1.08 USER MOD Single : A 57 LYS NZ :NH3+ 166:sc= 0.586 (180deg=-0.151!) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot -43:sc= 1.24 USER MOD Single : A 73 GLN : amide:sc= -0.0139 K(o=-0.014,f=-0.57) USER MOD Single : A 78 ASN : amide:sc= 0.0933 X(o=0.093,f=-0.27) USER MOD Single : A 80 LYS NZ :NH3+ 166:sc= -2.81! (180deg=-3.13!) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ -145:sc= 0.812 (180deg=-1.42!) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=-0.032) USER MOD ----------------------------------------------------------------- ATOM 35 N LEU A 3 -1.693 2.559 11.413 1.00 0.00 N ATOM 36 CA LEU A 3 -0.925 2.713 10.222 1.00 0.00 C ATOM 37 C LEU A 3 0.413 2.181 10.639 1.00 0.00 C ATOM 38 O LEU A 3 0.458 0.992 10.898 1.00 0.00 O ATOM 39 CB LEU A 3 -0.902 4.121 9.750 1.00 0.00 C ATOM 40 CG LEU A 3 -2.051 4.370 8.781 1.00 0.00 C ATOM 41 CD1 LEU A 3 -2.136 5.882 8.694 1.00 0.00 C ATOM 42 CD2 LEU A 3 -1.769 3.696 7.449 1.00 0.00 C ATOM 0 HA LEU A 3 -1.326 2.186 9.357 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -0.980 4.799 10.600 1.00 0.00 H new ATOM 0 HB3 LEU A 3 0.049 4.333 9.260 1.00 0.00 H new ATOM 0 HG LEU A 3 -3.004 3.950 9.102 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -2.941 6.163 8.014 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -2.337 6.293 9.683 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -1.192 6.279 8.322 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -2.597 3.881 6.765 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -0.850 4.100 7.024 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -1.657 2.622 7.601 1.00 0.00 H new ATOM 54 N LYS A 4 1.418 3.034 10.822 1.00 0.00 N ATOM 55 CA LYS A 4 2.772 2.765 11.285 1.00 0.00 C ATOM 56 C LYS A 4 3.696 3.924 10.995 1.00 0.00 C ATOM 57 O LYS A 4 3.285 4.977 10.520 1.00 0.00 O ATOM 58 CB LYS A 4 3.309 1.453 10.735 1.00 0.00 C ATOM 59 CG LYS A 4 3.639 0.519 11.901 1.00 0.00 C ATOM 60 CD LYS A 4 2.454 0.062 12.755 1.00 0.00 C ATOM 61 CE LYS A 4 2.829 -0.560 14.100 1.00 0.00 C ATOM 62 NZ LYS A 4 1.652 -0.624 15.000 1.00 0.00 N ATOM 0 H LYS A 4 1.289 4.027 10.630 1.00 0.00 H new ATOM 0 HA LYS A 4 2.728 2.654 12.368 1.00 0.00 H new ATOM 0 HB2 LYS A 4 2.571 0.990 10.080 1.00 0.00 H new ATOM 0 HB3 LYS A 4 4.200 1.634 10.134 1.00 0.00 H new ATOM 0 HG2 LYS A 4 4.135 -0.366 11.502 1.00 0.00 H new ATOM 0 HG3 LYS A 4 4.356 1.021 12.550 1.00 0.00 H new ATOM 0 HD2 LYS A 4 1.804 0.918 12.936 1.00 0.00 H new ATOM 0 HD3 LYS A 4 1.873 -0.664 12.185 1.00 0.00 H new ATOM 0 HE2 LYS A 4 3.227 -1.563 13.943 1.00 0.00 H new ATOM 0 HE3 LYS A 4 3.619 0.027 14.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 1.931 -1.050 15.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 1.289 0.336 15.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 0.909 -1.204 14.559 1.00 0.00 H new ATOM 76 N HIS A 5 4.944 3.678 11.361 1.00 0.00 N ATOM 77 CA HIS A 5 6.113 4.519 11.158 1.00 0.00 C ATOM 78 C HIS A 5 6.898 4.069 9.947 1.00 0.00 C ATOM 79 O HIS A 5 7.662 4.811 9.342 1.00 0.00 O ATOM 80 CB HIS A 5 6.999 4.506 12.415 1.00 0.00 C ATOM 81 CG HIS A 5 6.340 3.896 13.629 1.00 0.00 C ATOM 82 ND1 HIS A 5 5.348 4.466 14.399 1.00 0.00 N ATOM 83 CD2 HIS A 5 6.394 2.564 13.929 1.00 0.00 C ATOM 84 CE1 HIS A 5 4.814 3.488 15.152 1.00 0.00 C ATOM 85 NE2 HIS A 5 5.404 2.311 14.887 1.00 0.00 N ATOM 0 H HIS A 5 5.185 2.814 11.847 1.00 0.00 H new ATOM 0 HA HIS A 5 5.776 5.540 10.978 1.00 0.00 H new ATOM 0 HB2 HIS A 5 7.913 3.955 12.196 1.00 0.00 H new ATOM 0 HB3 HIS A 5 7.292 5.529 12.650 1.00 0.00 H new ATOM 0 HD2 HIS A 5 7.074 1.840 13.506 1.00 0.00 H new ATOM 0 HE1 HIS A 5 4.020 3.630 15.871 1.00 0.00 H new ATOM 0 HE2 HIS A 5 5.175 1.408 15.303 1.00 0.00 H new ATOM 93 N SER A 6 6.663 2.813 9.640 1.00 0.00 N ATOM 94 CA SER A 6 7.355 1.996 8.724 1.00 0.00 C ATOM 95 C SER A 6 6.478 0.895 8.222 1.00 0.00 C ATOM 96 O SER A 6 5.799 0.240 9.006 1.00 0.00 O ATOM 97 CB SER A 6 8.502 1.324 9.436 1.00 0.00 C ATOM 98 OG SER A 6 8.551 1.573 10.846 1.00 0.00 O ATOM 0 H SER A 6 5.898 2.305 10.084 1.00 0.00 H new ATOM 0 HA SER A 6 7.688 2.627 7.900 1.00 0.00 H new ATOM 0 HB2 SER A 6 8.436 0.249 9.271 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.438 1.658 8.988 1.00 0.00 H new ATOM 0 HG SER A 6 8.534 0.721 11.329 1.00 0.00 H new ATOM 104 N ILE A 7 6.746 0.546 6.977 1.00 0.00 N ATOM 105 CA ILE A 7 6.340 -0.604 6.189 1.00 0.00 C ATOM 106 C ILE A 7 6.905 -1.923 6.716 1.00 0.00 C ATOM 107 O ILE A 7 7.277 -2.845 5.995 1.00 0.00 O ATOM 108 CB ILE A 7 6.801 -0.246 4.786 1.00 0.00 C ATOM 109 CG1 ILE A 7 6.051 -1.155 3.823 1.00 0.00 C ATOM 110 CG2 ILE A 7 8.339 -0.228 4.627 1.00 0.00 C ATOM 111 CD1 ILE A 7 6.375 -0.713 2.437 1.00 0.00 C ATOM 0 H ILE A 7 7.341 1.154 6.414 1.00 0.00 H new ATOM 0 HA ILE A 7 5.267 -0.790 6.229 1.00 0.00 H new ATOM 0 HB ILE A 7 6.551 0.788 4.550 1.00 0.00 H new ATOM 0 HG12 ILE A 7 6.344 -2.194 3.971 1.00 0.00 H new ATOM 0 HG13 ILE A 7 4.977 -1.098 4.001 1.00 0.00 H new ATOM 0 HG21 ILE A 7 8.596 0.035 3.601 1.00 0.00 H new ATOM 0 HG22 ILE A 7 8.767 0.508 5.308 1.00 0.00 H new ATOM 0 HG23 ILE A 7 8.740 -1.214 4.860 1.00 0.00 H new ATOM 0 HD11 ILE A 7 5.851 -1.347 1.721 1.00 0.00 H new ATOM 0 HD12 ILE A 7 6.061 0.322 2.303 1.00 0.00 H new ATOM 0 HD13 ILE A 7 7.450 -0.791 2.272 1.00 0.00 H new ATOM 123 N SER A 8 7.118 -1.939 8.011 1.00 0.00 N ATOM 124 CA SER A 8 8.003 -2.820 8.684 1.00 0.00 C ATOM 125 C SER A 8 7.587 -2.987 10.105 1.00 0.00 C ATOM 126 O SER A 8 7.717 -4.088 10.639 1.00 0.00 O ATOM 127 CB SER A 8 9.363 -2.317 8.448 1.00 0.00 C ATOM 128 OG SER A 8 10.355 -2.436 9.441 1.00 0.00 O ATOM 0 H SER A 8 6.645 -1.296 8.646 1.00 0.00 H new ATOM 0 HA SER A 8 7.976 -3.841 8.302 1.00 0.00 H new ATOM 0 HB2 SER A 8 9.740 -2.817 7.556 1.00 0.00 H new ATOM 0 HB3 SER A 8 9.276 -1.258 8.206 1.00 0.00 H new ATOM 0 HG SER A 8 11.194 -2.051 9.113 1.00 0.00 H new ATOM 134 N ASP A 9 6.982 -1.933 10.670 1.00 0.00 N ATOM 135 CA ASP A 9 6.309 -2.132 11.922 1.00 0.00 C ATOM 136 C ASP A 9 4.915 -2.730 11.684 1.00 0.00 C ATOM 137 O ASP A 9 4.240 -3.112 12.642 1.00 0.00 O ATOM 138 CB ASP A 9 6.331 -0.820 12.720 1.00 0.00 C ATOM 139 CG ASP A 9 7.653 -0.733 13.471 1.00 0.00 C ATOM 140 OD1 ASP A 9 7.720 -1.283 14.591 1.00 0.00 O ATOM 141 OD2 ASP A 9 8.587 -0.148 12.873 1.00 0.00 O ATOM 0 H ASP A 9 6.953 -0.987 10.290 1.00 0.00 H new ATOM 0 HA ASP A 9 6.826 -2.866 12.540 1.00 0.00 H new ATOM 0 HB2 ASP A 9 6.219 0.033 12.050 1.00 0.00 H new ATOM 0 HB3 ASP A 9 5.495 -0.788 13.419 1.00 0.00 H new ATOM 146 N TYR A 10 4.496 -2.879 10.415 1.00 0.00 N ATOM 147 CA TYR A 10 3.287 -3.601 10.020 1.00 0.00 C ATOM 148 C TYR A 10 3.630 -4.636 8.952 1.00 0.00 C ATOM 149 O TYR A 10 4.742 -4.662 8.420 1.00 0.00 O ATOM 150 CB TYR A 10 2.161 -2.689 9.531 1.00 0.00 C ATOM 151 CG TYR A 10 2.405 -1.975 8.224 1.00 0.00 C ATOM 152 CD1 TYR A 10 3.112 -0.781 8.244 1.00 0.00 C ATOM 153 CD2 TYR A 10 1.910 -2.443 7.001 1.00 0.00 C ATOM 154 CE1 TYR A 10 3.189 0.027 7.107 1.00 0.00 C ATOM 155 CE2 TYR A 10 2.033 -1.676 5.839 1.00 0.00 C ATOM 156 CZ TYR A 10 2.633 -0.403 5.896 1.00 0.00 C ATOM 157 OH TYR A 10 2.765 0.381 4.799 1.00 0.00 O ATOM 0 H TYR A 10 5.005 -2.489 9.622 1.00 0.00 H new ATOM 0 HA TYR A 10 2.910 -4.094 10.916 1.00 0.00 H new ATOM 0 HB2 TYR A 10 1.255 -3.286 9.432 1.00 0.00 H new ATOM 0 HB3 TYR A 10 1.967 -1.941 10.300 1.00 0.00 H new ATOM 0 HD1 TYR A 10 3.610 -0.472 9.151 1.00 0.00 H new ATOM 0 HD2 TYR A 10 1.427 -3.408 6.955 1.00 0.00 H new ATOM 0 HE1 TYR A 10 3.680 0.988 7.162 1.00 0.00 H new ATOM 0 HE2 TYR A 10 1.668 -2.059 4.898 1.00 0.00 H new ATOM 0 HH TYR A 10 2.142 0.080 4.105 1.00 0.00 H new ATOM 167 N THR A 11 2.680 -5.526 8.677 1.00 0.00 N ATOM 168 CA THR A 11 2.875 -6.764 7.935 1.00 0.00 C ATOM 169 C THR A 11 2.393 -6.594 6.508 1.00 0.00 C ATOM 170 O THR A 11 1.772 -5.601 6.144 1.00 0.00 O ATOM 171 CB THR A 11 2.248 -7.962 8.695 1.00 0.00 C ATOM 172 OG1 THR A 11 1.033 -8.446 8.157 1.00 0.00 O ATOM 173 CG2 THR A 11 2.011 -7.716 10.193 1.00 0.00 C ATOM 0 H THR A 11 1.714 -5.397 8.978 1.00 0.00 H new ATOM 0 HA THR A 11 3.937 -6.999 7.863 1.00 0.00 H new ATOM 0 HB THR A 11 3.025 -8.715 8.562 1.00 0.00 H new ATOM 0 HG1 THR A 11 0.713 -9.199 8.697 1.00 0.00 H new ATOM 0 HG21 THR A 11 1.571 -8.606 10.643 1.00 0.00 H new ATOM 0 HG22 THR A 11 2.961 -7.495 10.680 1.00 0.00 H new ATOM 0 HG23 THR A 11 1.333 -6.872 10.320 1.00 0.00 H new ATOM 181 N GLU A 12 2.681 -7.571 5.669 1.00 0.00 N ATOM 182 CA GLU A 12 2.412 -7.388 4.258 1.00 0.00 C ATOM 183 C GLU A 12 0.968 -7.712 3.878 1.00 0.00 C ATOM 184 O GLU A 12 0.422 -7.168 2.922 1.00 0.00 O ATOM 185 CB GLU A 12 3.384 -8.258 3.490 1.00 0.00 C ATOM 186 CG GLU A 12 3.754 -7.454 2.264 1.00 0.00 C ATOM 187 CD GLU A 12 4.722 -8.275 1.408 1.00 0.00 C ATOM 188 OE1 GLU A 12 4.260 -9.296 0.852 1.00 0.00 O ATOM 189 OE2 GLU A 12 5.895 -7.859 1.282 1.00 0.00 O ATOM 0 H GLU A 12 3.087 -8.470 5.928 1.00 0.00 H new ATOM 0 HA GLU A 12 2.547 -6.336 4.006 1.00 0.00 H new ATOM 0 HB2 GLU A 12 4.264 -8.489 4.090 1.00 0.00 H new ATOM 0 HB3 GLU A 12 2.928 -9.209 3.214 1.00 0.00 H new ATOM 0 HG2 GLU A 12 2.860 -7.207 1.691 1.00 0.00 H new ATOM 0 HG3 GLU A 12 4.216 -6.511 2.557 1.00 0.00 H new ATOM 196 N ALA A 13 0.335 -8.567 4.675 1.00 0.00 N ATOM 197 CA ALA A 13 -1.091 -8.819 4.643 1.00 0.00 C ATOM 198 C ALA A 13 -1.785 -7.618 5.264 1.00 0.00 C ATOM 199 O ALA A 13 -2.840 -7.230 4.791 1.00 0.00 O ATOM 200 CB ALA A 13 -1.416 -10.101 5.415 1.00 0.00 C ATOM 0 H ALA A 13 0.821 -9.119 5.382 1.00 0.00 H new ATOM 0 HA ALA A 13 -1.437 -8.958 3.619 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.491 -10.281 5.385 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -0.894 -10.942 4.959 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.095 -9.993 6.451 1.00 0.00 H new ATOM 206 N GLU A 14 -1.156 -6.994 6.260 1.00 0.00 N ATOM 207 CA GLU A 14 -1.555 -5.708 6.798 1.00 0.00 C ATOM 208 C GLU A 14 -1.612 -4.637 5.727 1.00 0.00 C ATOM 209 O GLU A 14 -2.595 -3.921 5.645 1.00 0.00 O ATOM 210 CB GLU A 14 -0.602 -5.291 7.883 1.00 0.00 C ATOM 211 CG GLU A 14 -1.433 -5.140 9.133 1.00 0.00 C ATOM 212 CD GLU A 14 -2.200 -3.805 9.236 1.00 0.00 C ATOM 213 OE1 GLU A 14 -1.557 -2.737 9.249 1.00 0.00 O ATOM 214 OE2 GLU A 14 -3.442 -3.798 9.391 1.00 0.00 O ATOM 0 H GLU A 14 -0.335 -7.385 6.722 1.00 0.00 H new ATOM 0 HA GLU A 14 -2.559 -5.820 7.208 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.180 -6.037 8.023 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -0.107 -4.354 7.628 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -2.149 -5.960 9.179 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -0.781 -5.237 10.001 1.00 0.00 H new ATOM 221 N PHE A 15 -0.578 -4.533 4.891 1.00 0.00 N ATOM 222 CA PHE A 15 -0.564 -3.552 3.818 1.00 0.00 C ATOM 223 C PHE A 15 -1.619 -3.907 2.818 1.00 0.00 C ATOM 224 O PHE A 15 -2.257 -3.030 2.252 1.00 0.00 O ATOM 225 CB PHE A 15 0.756 -3.549 3.045 1.00 0.00 C ATOM 226 CG PHE A 15 1.109 -2.241 2.333 1.00 0.00 C ATOM 227 CD1 PHE A 15 0.742 -0.974 2.843 1.00 0.00 C ATOM 228 CD2 PHE A 15 1.894 -2.286 1.169 1.00 0.00 C ATOM 229 CE1 PHE A 15 1.246 0.204 2.271 1.00 0.00 C ATOM 230 CE2 PHE A 15 2.402 -1.107 0.602 1.00 0.00 C ATOM 231 CZ PHE A 15 2.128 0.134 1.186 1.00 0.00 C ATOM 0 H PHE A 15 0.257 -5.117 4.940 1.00 0.00 H new ATOM 0 HA PHE A 15 -0.722 -2.579 4.284 1.00 0.00 H new ATOM 0 HB2 PHE A 15 1.561 -3.792 3.738 1.00 0.00 H new ATOM 0 HB3 PHE A 15 0.722 -4.347 2.303 1.00 0.00 H new ATOM 0 HD1 PHE A 15 0.066 -0.912 3.683 1.00 0.00 H new ATOM 0 HD2 PHE A 15 2.109 -3.238 0.706 1.00 0.00 H new ATOM 0 HE1 PHE A 15 0.953 1.165 2.668 1.00 0.00 H new ATOM 0 HE2 PHE A 15 3.008 -1.158 -0.290 1.00 0.00 H new ATOM 0 HZ PHE A 15 2.593 1.031 0.803 1.00 0.00 H new ATOM 241 N LEU A 16 -1.782 -5.206 2.579 1.00 0.00 N ATOM 242 CA LEU A 16 -2.721 -5.597 1.561 1.00 0.00 C ATOM 243 C LEU A 16 -4.126 -5.248 2.004 1.00 0.00 C ATOM 244 O LEU A 16 -4.937 -4.754 1.236 1.00 0.00 O ATOM 245 CB LEU A 16 -2.530 -7.074 1.286 1.00 0.00 C ATOM 246 CG LEU A 16 -3.369 -7.581 0.110 1.00 0.00 C ATOM 247 CD1 LEU A 16 -3.461 -6.642 -1.088 1.00 0.00 C ATOM 248 CD2 LEU A 16 -2.706 -8.848 -0.470 1.00 0.00 C ATOM 0 H LEU A 16 -1.297 -5.965 3.057 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.551 -5.058 0.629 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.477 -7.266 1.082 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.790 -7.640 2.180 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.363 -7.717 0.536 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.078 -7.099 -1.862 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.909 -5.698 -0.777 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.462 -6.457 -1.483 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.297 -9.216 -1.309 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.700 -8.608 -0.813 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.652 -9.616 0.301 1.00 0.00 H new ATOM 260 N GLN A 17 -4.377 -5.430 3.286 1.00 0.00 N ATOM 261 CA GLN A 17 -5.567 -5.109 3.970 1.00 0.00 C ATOM 262 C GLN A 17 -5.738 -3.602 4.027 1.00 0.00 C ATOM 263 O GLN A 17 -6.841 -3.084 3.983 1.00 0.00 O ATOM 264 CB GLN A 17 -5.459 -5.728 5.371 1.00 0.00 C ATOM 265 CG GLN A 17 -6.396 -5.155 6.420 1.00 0.00 C ATOM 266 CD GLN A 17 -6.324 -5.969 7.713 1.00 0.00 C ATOM 267 OE1 GLN A 17 -6.986 -6.991 7.856 1.00 0.00 O ATOM 268 NE2 GLN A 17 -5.499 -5.590 8.679 1.00 0.00 N ATOM 0 H GLN A 17 -3.681 -5.842 3.907 1.00 0.00 H new ATOM 0 HA GLN A 17 -6.445 -5.506 3.461 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -5.646 -6.799 5.290 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -4.434 -5.609 5.722 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -6.132 -4.117 6.623 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -7.418 -5.155 6.041 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -4.943 -4.742 8.571 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -5.420 -6.147 9.530 1.00 0.00 H new ATOM 277 N LEU A 18 -4.639 -2.877 4.126 1.00 0.00 N ATOM 278 CA LEU A 18 -4.688 -1.450 4.258 1.00 0.00 C ATOM 279 C LEU A 18 -5.144 -0.887 2.917 1.00 0.00 C ATOM 280 O LEU A 18 -6.069 -0.083 2.834 1.00 0.00 O ATOM 281 CB LEU A 18 -3.301 -0.940 4.666 1.00 0.00 C ATOM 282 CG LEU A 18 -3.296 0.576 4.880 1.00 0.00 C ATOM 283 CD1 LEU A 18 -4.145 0.941 6.103 1.00 0.00 C ATOM 284 CD2 LEU A 18 -1.881 1.114 5.024 1.00 0.00 C ATOM 0 H LEU A 18 -3.697 -3.267 4.116 1.00 0.00 H new ATOM 0 HA LEU A 18 -5.388 -1.129 5.030 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.985 -1.438 5.583 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.576 -1.201 3.895 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.734 1.043 3.998 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.133 2.022 6.245 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -5.171 0.606 5.947 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.736 0.455 6.988 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.916 2.193 5.174 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -1.398 0.643 5.881 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.313 0.892 4.120 1.00 0.00 H new ATOM 296 N VAL A 19 -4.555 -1.416 1.849 1.00 0.00 N ATOM 297 CA VAL A 19 -4.926 -1.117 0.480 1.00 0.00 C ATOM 298 C VAL A 19 -6.400 -1.507 0.307 1.00 0.00 C ATOM 299 O VAL A 19 -7.147 -0.797 -0.358 1.00 0.00 O ATOM 300 CB VAL A 19 -3.980 -1.837 -0.461 1.00 0.00 C ATOM 301 CG1 VAL A 19 -4.474 -1.631 -1.887 1.00 0.00 C ATOM 302 CG2 VAL A 19 -2.573 -1.223 -0.310 1.00 0.00 C ATOM 0 H VAL A 19 -3.786 -2.082 1.920 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.835 -0.057 0.241 1.00 0.00 H new ATOM 0 HB VAL A 19 -3.942 -2.902 -0.231 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.806 -2.142 -2.581 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -5.480 -2.038 -1.986 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -4.489 -0.566 -2.116 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.880 -1.731 -0.981 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -2.610 -0.163 -0.561 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -2.233 -1.341 0.719 1.00 0.00 H new ATOM 312 N THR A 20 -6.850 -2.587 0.952 1.00 0.00 N ATOM 313 CA THR A 20 -8.220 -3.050 0.888 1.00 0.00 C ATOM 314 C THR A 20 -9.154 -2.174 1.742 1.00 0.00 C ATOM 315 O THR A 20 -10.334 -2.160 1.434 1.00 0.00 O ATOM 316 CB THR A 20 -8.271 -4.578 1.155 1.00 0.00 C ATOM 317 OG1 THR A 20 -8.983 -5.211 0.108 1.00 0.00 O ATOM 318 CG2 THR A 20 -8.869 -5.078 2.465 1.00 0.00 C ATOM 0 H THR A 20 -6.254 -3.168 1.541 1.00 0.00 H new ATOM 0 HA THR A 20 -8.620 -2.925 -0.118 1.00 0.00 H new ATOM 0 HB THR A 20 -7.214 -4.835 1.219 1.00 0.00 H new ATOM 0 HG1 THR A 20 -9.016 -6.177 0.272 1.00 0.00 H new ATOM 0 HG21 THR A 20 -8.828 -6.167 2.492 1.00 0.00 H new ATOM 0 HG22 THR A 20 -8.301 -4.673 3.302 1.00 0.00 H new ATOM 0 HG23 THR A 20 -9.907 -4.752 2.539 1.00 0.00 H new ATOM 326 N THR A 21 -8.676 -1.381 2.710 1.00 0.00 N ATOM 327 CA THR A 21 -9.409 -0.316 3.395 1.00 0.00 C ATOM 328 C THR A 21 -9.615 0.866 2.431 1.00 0.00 C ATOM 329 O THR A 21 -10.597 1.588 2.542 1.00 0.00 O ATOM 330 CB THR A 21 -8.584 0.082 4.643 1.00 0.00 C ATOM 331 OG1 THR A 21 -8.973 -0.579 5.834 1.00 0.00 O ATOM 332 CG2 THR A 21 -8.375 1.594 4.832 1.00 0.00 C ATOM 0 H THR A 21 -7.719 -1.472 3.051 1.00 0.00 H new ATOM 0 HA THR A 21 -10.399 -0.643 3.712 1.00 0.00 H new ATOM 0 HB THR A 21 -7.591 -0.302 4.410 1.00 0.00 H new ATOM 0 HG1 THR A 21 -9.951 -0.608 5.888 1.00 0.00 H new ATOM 0 HG21 THR A 21 -7.786 1.770 5.732 1.00 0.00 H new ATOM 0 HG22 THR A 21 -7.848 1.999 3.968 1.00 0.00 H new ATOM 0 HG23 THR A 21 -9.343 2.086 4.929 1.00 0.00 H new ATOM 340 N ILE A 22 -8.708 1.086 1.480 1.00 0.00 N ATOM 341 CA ILE A 22 -8.716 2.201 0.527 1.00 0.00 C ATOM 342 C ILE A 22 -9.617 1.827 -0.630 1.00 0.00 C ATOM 343 O ILE A 22 -10.552 2.545 -0.965 1.00 0.00 O ATOM 344 CB ILE A 22 -7.316 2.546 -0.026 1.00 0.00 C ATOM 345 CG1 ILE A 22 -6.257 2.409 1.064 1.00 0.00 C ATOM 346 CG2 ILE A 22 -7.346 3.950 -0.629 1.00 0.00 C ATOM 347 CD1 ILE A 22 -4.968 3.150 0.806 1.00 0.00 C ATOM 0 H ILE A 22 -7.910 0.465 1.345 1.00 0.00 H new ATOM 0 HA ILE A 22 -9.072 3.083 1.059 1.00 0.00 H new ATOM 0 HB ILE A 22 -7.046 1.842 -0.814 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -6.679 2.763 2.004 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -6.029 1.351 1.196 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.360 4.199 -1.021 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -8.077 3.983 -1.437 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -7.623 4.671 0.140 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -4.283 2.989 1.638 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -4.514 2.782 -0.114 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -5.174 4.216 0.707 1.00 0.00 H new ATOM 359 N CYS A 23 -9.380 0.637 -1.176 1.00 0.00 N ATOM 360 CA CYS A 23 -10.308 -0.005 -2.069 1.00 0.00 C ATOM 361 C CYS A 23 -11.628 -0.298 -1.341 1.00 0.00 C ATOM 362 O CYS A 23 -12.565 -0.706 -2.025 1.00 0.00 O ATOM 363 CB CYS A 23 -9.697 -1.274 -2.681 1.00 0.00 C ATOM 364 SG CYS A 23 -8.101 -0.886 -3.458 1.00 0.00 S ATOM 0 H CYS A 23 -8.531 0.098 -1.003 1.00 0.00 H new ATOM 0 HA CYS A 23 -10.525 0.672 -2.895 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -9.560 -2.030 -1.908 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -10.378 -1.695 -3.421 1.00 0.00 H new ATOM 0 HG CYS A 23 -7.186 -0.781 -2.541 1.00 0.00 H new ATOM 369 N ASN A 24 -11.716 -0.096 -0.006 1.00 0.00 N ATOM 370 CA ASN A 24 -13.045 -0.128 0.657 1.00 0.00 C ATOM 371 C ASN A 24 -13.592 1.250 1.068 1.00 0.00 C ATOM 372 O ASN A 24 -14.795 1.360 1.286 1.00 0.00 O ATOM 373 CB ASN A 24 -13.111 -1.164 1.795 1.00 0.00 C ATOM 374 CG ASN A 24 -14.532 -1.374 2.324 1.00 0.00 C ATOM 375 OD1 ASN A 24 -15.418 -1.770 1.573 1.00 0.00 O ATOM 376 ND2 ASN A 24 -14.792 -1.214 3.613 1.00 0.00 N ATOM 0 H ASN A 24 -10.924 0.083 0.612 1.00 0.00 H new ATOM 0 HA ASN A 24 -13.732 -0.467 -0.118 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -12.717 -2.115 1.437 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -12.468 -0.840 2.613 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -15.723 -1.420 3.975 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -14.061 -0.885 4.244 1.00 0.00 H new ATOM 383 N ALA A 25 -12.767 2.311 1.128 1.00 0.00 N ATOM 384 CA ALA A 25 -13.130 3.646 1.635 1.00 0.00 C ATOM 385 C ALA A 25 -13.779 3.531 3.018 1.00 0.00 C ATOM 386 O ALA A 25 -14.656 4.287 3.418 1.00 0.00 O ATOM 387 CB ALA A 25 -14.004 4.359 0.584 1.00 0.00 C ATOM 0 H ALA A 25 -11.798 2.261 0.815 1.00 0.00 H new ATOM 0 HA ALA A 25 -12.244 4.264 1.782 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -14.278 5.349 0.950 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -13.446 4.458 -0.347 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -14.907 3.775 0.405 1.00 0.00 H new ATOM 393 N ASP A 26 -13.187 2.621 3.776 1.00 0.00 N ATOM 394 CA ASP A 26 -13.395 2.076 5.121 1.00 0.00 C ATOM 395 C ASP A 26 -13.161 3.076 6.257 1.00 0.00 C ATOM 396 O ASP A 26 -13.043 2.743 7.432 1.00 0.00 O ATOM 397 CB ASP A 26 -12.365 0.978 5.138 1.00 0.00 C ATOM 398 CG ASP A 26 -12.521 -0.128 6.162 1.00 0.00 C ATOM 399 OD1 ASP A 26 -13.612 -0.742 6.152 1.00 0.00 O ATOM 400 OD2 ASP A 26 -11.478 -0.502 6.740 1.00 0.00 O ATOM 0 H ASP A 26 -12.377 2.149 3.374 1.00 0.00 H new ATOM 0 HA ASP A 26 -14.425 1.765 5.294 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -12.351 0.518 4.150 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -11.389 1.438 5.290 1.00 0.00 H new ATOM 405 N THR A 27 -13.022 4.317 5.830 1.00 0.00 N ATOM 406 CA THR A 27 -12.383 5.429 6.513 1.00 0.00 C ATOM 407 C THR A 27 -13.304 6.530 6.990 1.00 0.00 C ATOM 408 O THR A 27 -14.530 6.432 6.928 1.00 0.00 O ATOM 409 CB THR A 27 -11.207 5.932 5.681 1.00 0.00 C ATOM 410 OG1 THR A 27 -11.630 6.884 4.723 1.00 0.00 O ATOM 411 CG2 THR A 27 -10.423 4.875 4.937 1.00 0.00 C ATOM 0 H THR A 27 -13.384 4.598 4.919 1.00 0.00 H new ATOM 0 HA THR A 27 -12.008 5.035 7.457 1.00 0.00 H new ATOM 0 HB THR A 27 -10.544 6.361 6.432 1.00 0.00 H new ATOM 0 HG1 THR A 27 -12.567 6.718 4.489 1.00 0.00 H new ATOM 0 HG21 THR A 27 -9.613 5.347 4.381 1.00 0.00 H new ATOM 0 HG22 THR A 27 -10.007 4.162 5.649 1.00 0.00 H new ATOM 0 HG23 THR A 27 -11.083 4.353 4.244 1.00 0.00 H new ATOM 419 N SER A 28 -12.665 7.613 7.435 1.00 0.00 N ATOM 420 CA SER A 28 -13.313 8.866 7.707 1.00 0.00 C ATOM 421 C SER A 28 -14.224 9.335 6.606 1.00 0.00 C ATOM 422 O SER A 28 -15.246 9.921 6.960 1.00 0.00 O ATOM 423 CB SER A 28 -12.291 9.938 8.028 1.00 0.00 C ATOM 424 OG SER A 28 -11.372 10.127 6.983 1.00 0.00 O ATOM 0 H SER A 28 -11.661 7.628 7.615 1.00 0.00 H new ATOM 0 HA SER A 28 -13.948 8.686 8.574 1.00 0.00 H new ATOM 0 HB2 SER A 28 -12.805 10.878 8.232 1.00 0.00 H new ATOM 0 HB3 SER A 28 -11.754 9.665 8.936 1.00 0.00 H new ATOM 0 HG SER A 28 -10.577 10.586 7.326 1.00 0.00 H new ATOM 430 N SER A 29 -13.865 9.010 5.354 1.00 0.00 N ATOM 431 CA SER A 29 -14.837 9.033 4.235 1.00 0.00 C ATOM 432 C SER A 29 -14.261 9.047 2.854 1.00 0.00 C ATOM 433 O SER A 29 -14.672 8.294 1.976 1.00 0.00 O ATOM 434 CB SER A 29 -15.919 10.139 4.273 1.00 0.00 C ATOM 435 OG SER A 29 -15.360 11.443 4.346 1.00 0.00 O ATOM 0 H SER A 29 -12.921 8.730 5.087 1.00 0.00 H new ATOM 0 HA SER A 29 -15.303 8.067 4.431 1.00 0.00 H new ATOM 0 HB2 SER A 29 -16.543 10.064 3.382 1.00 0.00 H new ATOM 0 HB3 SER A 29 -16.570 9.977 5.132 1.00 0.00 H new ATOM 0 HG SER A 29 -15.732 11.999 3.630 1.00 0.00 H new ATOM 441 N GLU A 30 -13.307 9.938 2.715 1.00 0.00 N ATOM 442 CA GLU A 30 -12.600 10.262 1.488 1.00 0.00 C ATOM 443 C GLU A 30 -11.175 10.781 1.730 1.00 0.00 C ATOM 444 O GLU A 30 -10.387 11.049 0.827 1.00 0.00 O ATOM 445 CB GLU A 30 -13.330 11.365 0.686 1.00 0.00 C ATOM 446 CG GLU A 30 -14.788 11.164 0.225 1.00 0.00 C ATOM 447 CD GLU A 30 -15.720 12.265 0.754 1.00 0.00 C ATOM 448 OE1 GLU A 30 -15.894 12.336 1.995 1.00 0.00 O ATOM 449 OE2 GLU A 30 -16.256 13.034 -0.076 1.00 0.00 O ATOM 0 H GLU A 30 -12.980 10.494 3.505 1.00 0.00 H new ATOM 0 HA GLU A 30 -12.565 9.321 0.938 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -13.306 12.271 1.291 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -12.735 11.561 -0.206 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -14.825 11.152 -0.864 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -15.145 10.193 0.567 1.00 0.00 H new ATOM 456 N GLU A 31 -10.816 10.816 2.994 1.00 0.00 N ATOM 457 CA GLU A 31 -9.785 11.615 3.596 1.00 0.00 C ATOM 458 C GLU A 31 -8.622 10.854 4.129 1.00 0.00 C ATOM 459 O GLU A 31 -7.526 10.880 3.582 1.00 0.00 O ATOM 460 CB GLU A 31 -10.569 12.329 4.613 1.00 0.00 C ATOM 461 CG GLU A 31 -9.970 13.432 5.467 1.00 0.00 C ATOM 462 CD GLU A 31 -9.176 12.889 6.668 1.00 0.00 C ATOM 463 OE1 GLU A 31 -9.767 12.091 7.437 1.00 0.00 O ATOM 464 OE2 GLU A 31 -7.987 13.249 6.805 1.00 0.00 O ATOM 0 H GLU A 31 -11.285 10.230 3.685 1.00 0.00 H new ATOM 0 HA GLU A 31 -9.261 12.263 2.893 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -11.428 12.761 4.100 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -10.953 11.575 5.299 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -9.314 14.047 4.851 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -10.768 14.080 5.828 1.00 0.00 H new ATOM 471 N GLU A 32 -8.965 10.076 5.133 1.00 0.00 N ATOM 472 CA GLU A 32 -8.217 8.937 5.547 1.00 0.00 C ATOM 473 C GLU A 32 -7.913 8.142 4.305 1.00 0.00 C ATOM 474 O GLU A 32 -6.854 7.586 4.218 1.00 0.00 O ATOM 475 CB GLU A 32 -8.997 8.065 6.450 1.00 0.00 C ATOM 476 CG GLU A 32 -8.866 8.294 7.944 1.00 0.00 C ATOM 477 CD GLU A 32 -8.720 6.987 8.700 1.00 0.00 C ATOM 478 OE1 GLU A 32 -9.748 6.308 8.888 1.00 0.00 O ATOM 479 OE2 GLU A 32 -7.545 6.695 9.034 1.00 0.00 O ATOM 0 H GLU A 32 -9.802 10.235 5.694 1.00 0.00 H new ATOM 0 HA GLU A 32 -7.324 9.271 6.076 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -10.050 8.167 6.187 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -8.716 7.032 6.244 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -8.001 8.927 8.141 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -9.743 8.830 8.309 1.00 0.00 H new ATOM 486 N LEU A 33 -8.802 8.116 3.331 1.00 0.00 N ATOM 487 CA LEU A 33 -8.611 7.489 2.055 1.00 0.00 C ATOM 488 C LEU A 33 -7.434 8.055 1.293 1.00 0.00 C ATOM 489 O LEU A 33 -6.496 7.316 1.034 1.00 0.00 O ATOM 490 CB LEU A 33 -9.921 7.671 1.311 1.00 0.00 C ATOM 491 CG LEU A 33 -10.725 6.411 1.573 1.00 0.00 C ATOM 492 CD1 LEU A 33 -12.172 6.824 1.727 1.00 0.00 C ATOM 493 CD2 LEU A 33 -10.448 5.489 0.382 1.00 0.00 C ATOM 0 H LEU A 33 -9.718 8.555 3.421 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.364 6.434 2.174 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -10.452 8.554 1.665 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.748 7.810 0.244 1.00 0.00 H new ATOM 0 HG LEU A 33 -10.461 5.873 2.484 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -12.784 5.942 1.917 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -12.265 7.518 2.563 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -12.511 7.310 0.812 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -11.000 4.557 0.507 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -10.766 5.978 -0.539 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -9.381 5.274 0.329 1.00 0.00 H new ATOM 505 N VAL A 34 -7.434 9.349 0.986 1.00 0.00 N ATOM 506 CA VAL A 34 -6.295 10.047 0.385 1.00 0.00 C ATOM 507 C VAL A 34 -5.038 9.883 1.241 1.00 0.00 C ATOM 508 O VAL A 34 -3.914 9.858 0.738 1.00 0.00 O ATOM 509 CB VAL A 34 -6.673 11.503 0.152 1.00 0.00 C ATOM 510 CG1 VAL A 34 -5.505 12.488 -0.021 1.00 0.00 C ATOM 511 CG2 VAL A 34 -7.591 11.618 -1.066 1.00 0.00 C ATOM 0 H VAL A 34 -8.238 9.955 1.150 1.00 0.00 H new ATOM 0 HA VAL A 34 -6.053 9.606 -0.582 1.00 0.00 H new ATOM 0 HB VAL A 34 -7.171 11.797 1.076 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.897 13.493 -0.180 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -4.885 12.478 0.875 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -4.904 12.192 -0.881 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -7.856 12.663 -1.225 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -7.076 11.237 -1.947 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -8.497 11.036 -0.895 1.00 0.00 H new ATOM 521 N LYS A 35 -5.219 9.736 2.545 1.00 0.00 N ATOM 522 CA LYS A 35 -4.156 9.618 3.511 1.00 0.00 C ATOM 523 C LYS A 35 -3.623 8.207 3.483 1.00 0.00 C ATOM 524 O LYS A 35 -2.419 8.049 3.599 1.00 0.00 O ATOM 525 CB LYS A 35 -4.703 10.065 4.851 1.00 0.00 C ATOM 526 CG LYS A 35 -3.867 9.529 5.998 1.00 0.00 C ATOM 527 CD LYS A 35 -4.515 9.962 7.305 1.00 0.00 C ATOM 528 CE LYS A 35 -4.434 8.888 8.409 1.00 0.00 C ATOM 529 NZ LYS A 35 -5.278 7.692 8.143 1.00 0.00 N ATOM 0 H LYS A 35 -6.147 9.695 2.967 1.00 0.00 H new ATOM 0 HA LYS A 35 -3.302 10.258 3.287 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -4.724 11.154 4.892 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -5.732 9.722 4.958 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.805 8.442 5.947 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -2.848 9.910 5.935 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -4.032 10.873 7.658 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -5.561 10.206 7.121 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -3.397 8.572 8.521 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -4.736 9.331 9.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -4.823 6.849 8.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -6.213 7.823 8.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -5.388 7.566 7.117 1.00 0.00 H new ATOM 543 N LEU A 36 -4.459 7.180 3.371 1.00 0.00 N ATOM 544 CA LEU A 36 -4.053 5.818 3.314 1.00 0.00 C ATOM 545 C LEU A 36 -3.446 5.591 1.949 1.00 0.00 C ATOM 546 O LEU A 36 -2.483 4.834 1.849 1.00 0.00 O ATOM 547 CB LEU A 36 -5.300 4.978 3.662 1.00 0.00 C ATOM 548 CG LEU A 36 -5.590 4.990 5.167 1.00 0.00 C ATOM 549 CD1 LEU A 36 -6.559 3.898 5.481 1.00 0.00 C ATOM 550 CD2 LEU A 36 -4.377 4.775 6.037 1.00 0.00 C ATOM 0 H LEU A 36 -5.471 7.299 3.317 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.281 5.525 4.026 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -6.163 5.367 3.122 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -5.152 3.951 3.328 1.00 0.00 H new ATOM 0 HG LEU A 36 -5.979 5.984 5.387 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -6.773 3.897 6.550 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -7.483 4.061 4.926 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -6.130 2.937 5.196 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -4.673 4.798 7.086 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.931 3.807 5.807 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.649 5.564 5.848 1.00 0.00 H new ATOM 562 N VAL A 37 -3.943 6.316 0.938 1.00 0.00 N ATOM 563 CA VAL A 37 -3.392 6.282 -0.401 1.00 0.00 C ATOM 564 C VAL A 37 -1.936 6.703 -0.262 1.00 0.00 C ATOM 565 O VAL A 37 -1.012 5.989 -0.611 1.00 0.00 O ATOM 566 CB VAL A 37 -4.204 7.215 -1.343 1.00 0.00 C ATOM 567 CG1 VAL A 37 -3.393 7.919 -2.434 1.00 0.00 C ATOM 568 CG2 VAL A 37 -5.362 6.471 -2.006 1.00 0.00 C ATOM 0 H VAL A 37 -4.742 6.942 1.038 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.451 5.291 -0.852 1.00 0.00 H new ATOM 0 HB VAL A 37 -4.569 7.993 -0.672 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -4.055 8.544 -3.033 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -2.626 8.541 -1.973 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -2.920 7.174 -3.074 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -5.908 7.154 -2.657 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.972 5.641 -2.595 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -6.034 6.086 -1.239 1.00 0.00 H new ATOM 578 N THR A 38 -1.743 7.856 0.347 1.00 0.00 N ATOM 579 CA THR A 38 -0.492 8.566 0.407 1.00 0.00 C ATOM 580 C THR A 38 0.441 7.892 1.394 1.00 0.00 C ATOM 581 O THR A 38 1.629 7.857 1.134 1.00 0.00 O ATOM 582 CB THR A 38 -0.744 10.012 0.645 1.00 0.00 C ATOM 583 OG1 THR A 38 -1.538 10.613 -0.357 1.00 0.00 O ATOM 584 CG2 THR A 38 0.457 10.903 0.975 1.00 0.00 C ATOM 0 H THR A 38 -2.495 8.342 0.836 1.00 0.00 H new ATOM 0 HA THR A 38 0.033 8.523 -0.547 1.00 0.00 H new ATOM 0 HB THR A 38 -1.304 9.962 1.579 1.00 0.00 H new ATOM 0 HG1 THR A 38 -2.484 10.432 -0.177 1.00 0.00 H new ATOM 0 HG21 THR A 38 0.119 11.929 1.122 1.00 0.00 H new ATOM 0 HG22 THR A 38 0.937 10.544 1.886 1.00 0.00 H new ATOM 0 HG23 THR A 38 1.171 10.871 0.152 1.00 0.00 H new ATOM 592 N HIS A 39 -0.074 7.293 2.472 1.00 0.00 N ATOM 593 CA HIS A 39 0.703 6.444 3.342 1.00 0.00 C ATOM 594 C HIS A 39 1.310 5.325 2.525 1.00 0.00 C ATOM 595 O HIS A 39 2.471 5.013 2.739 1.00 0.00 O ATOM 596 CB HIS A 39 -0.142 5.804 4.428 1.00 0.00 C ATOM 597 CG HIS A 39 0.686 4.975 5.376 1.00 0.00 C ATOM 598 ND1 HIS A 39 1.669 5.433 6.226 1.00 0.00 N ATOM 599 CD2 HIS A 39 0.600 3.616 5.525 1.00 0.00 C ATOM 600 CE1 HIS A 39 2.049 4.388 6.979 1.00 0.00 C ATOM 601 NE2 HIS A 39 1.442 3.253 6.585 1.00 0.00 N ATOM 0 H HIS A 39 -1.049 7.392 2.756 1.00 0.00 H new ATOM 0 HA HIS A 39 1.462 7.071 3.810 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -0.663 6.581 4.987 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -0.905 5.175 3.970 1.00 0.00 H new ATOM 0 HD1 HIS A 39 2.037 6.383 6.274 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -0.006 2.946 4.933 1.00 0.00 H new ATOM 0 HE1 HIS A 39 2.752 4.450 7.796 1.00 0.00 H new ATOM 609 N PHE A 40 0.555 4.700 1.615 1.00 0.00 N ATOM 610 CA PHE A 40 1.203 3.708 0.761 1.00 0.00 C ATOM 611 C PHE A 40 2.328 4.379 -0.012 1.00 0.00 C ATOM 612 O PHE A 40 3.473 3.934 0.074 1.00 0.00 O ATOM 613 CB PHE A 40 0.225 3.040 -0.194 1.00 0.00 C ATOM 614 CG PHE A 40 0.809 1.943 -1.074 1.00 0.00 C ATOM 615 CD1 PHE A 40 1.854 2.169 -1.994 1.00 0.00 C ATOM 616 CD2 PHE A 40 0.185 0.690 -1.070 1.00 0.00 C ATOM 617 CE1 PHE A 40 2.196 1.179 -2.913 1.00 0.00 C ATOM 618 CE2 PHE A 40 0.526 -0.307 -1.995 1.00 0.00 C ATOM 619 CZ PHE A 40 1.526 -0.055 -2.942 1.00 0.00 C ATOM 0 H PHE A 40 -0.441 4.850 1.457 1.00 0.00 H new ATOM 0 HA PHE A 40 1.604 2.920 1.398 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -0.592 2.616 0.389 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -0.207 3.806 -0.838 1.00 0.00 H new ATOM 0 HD1 PHE A 40 2.388 3.108 -1.986 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -0.579 0.486 -0.335 1.00 0.00 H new ATOM 0 HE1 PHE A 40 2.993 1.364 -3.618 1.00 0.00 H new ATOM 0 HE2 PHE A 40 0.021 -1.262 -1.977 1.00 0.00 H new ATOM 0 HZ PHE A 40 1.778 -0.798 -3.684 1.00 0.00 H new ATOM 629 N GLU A 41 1.986 5.422 -0.768 1.00 0.00 N ATOM 630 CA GLU A 41 2.885 6.130 -1.675 1.00 0.00 C ATOM 631 C GLU A 41 4.166 6.611 -0.990 1.00 0.00 C ATOM 632 O GLU A 41 5.226 6.739 -1.602 1.00 0.00 O ATOM 633 CB GLU A 41 2.178 7.167 -2.475 1.00 0.00 C ATOM 634 CG GLU A 41 1.007 6.560 -3.231 1.00 0.00 C ATOM 635 CD GLU A 41 1.126 5.434 -4.286 1.00 0.00 C ATOM 636 OE1 GLU A 41 1.907 4.476 -4.100 1.00 0.00 O ATOM 637 OE2 GLU A 41 0.450 5.538 -5.343 1.00 0.00 O ATOM 0 H GLU A 41 1.042 5.810 -0.765 1.00 0.00 H new ATOM 0 HA GLU A 41 3.235 5.404 -2.408 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.821 7.959 -1.817 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.872 7.626 -3.179 1.00 0.00 H new ATOM 0 HG2 GLU A 41 0.319 6.189 -2.471 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.510 7.390 -3.733 1.00 0.00 H new ATOM 644 N GLU A 42 4.052 6.818 0.316 1.00 0.00 N ATOM 645 CA GLU A 42 5.059 7.243 1.251 1.00 0.00 C ATOM 646 C GLU A 42 5.958 6.060 1.594 1.00 0.00 C ATOM 647 O GLU A 42 7.178 6.052 1.404 1.00 0.00 O ATOM 648 CB GLU A 42 4.376 7.861 2.444 1.00 0.00 C ATOM 649 CG GLU A 42 5.107 8.294 3.711 1.00 0.00 C ATOM 650 CD GLU A 42 4.897 7.322 4.881 1.00 0.00 C ATOM 651 OE1 GLU A 42 3.760 7.244 5.419 1.00 0.00 O ATOM 652 OE2 GLU A 42 5.899 6.678 5.257 1.00 0.00 O ATOM 0 H GLU A 42 3.157 6.675 0.783 1.00 0.00 H new ATOM 0 HA GLU A 42 5.711 8.007 0.827 1.00 0.00 H new ATOM 0 HB2 GLU A 42 3.856 8.745 2.074 1.00 0.00 H new ATOM 0 HB3 GLU A 42 3.612 7.151 2.760 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.173 8.376 3.500 1.00 0.00 H new ATOM 0 HG3 GLU A 42 4.763 9.286 4.003 1.00 0.00 H new ATOM 659 N MET A 43 5.280 5.024 2.072 1.00 0.00 N ATOM 660 CA MET A 43 5.806 3.949 2.863 1.00 0.00 C ATOM 661 C MET A 43 6.849 3.138 2.142 1.00 0.00 C ATOM 662 O MET A 43 7.800 2.603 2.720 1.00 0.00 O ATOM 663 CB MET A 43 4.655 3.039 3.284 1.00 0.00 C ATOM 664 CG MET A 43 4.140 3.496 4.639 1.00 0.00 C ATOM 665 SD MET A 43 5.192 2.963 6.010 1.00 0.00 S ATOM 666 CE MET A 43 5.264 4.424 7.072 1.00 0.00 C ATOM 0 H MET A 43 4.281 4.918 1.898 1.00 0.00 H new ATOM 0 HA MET A 43 6.297 4.392 3.730 1.00 0.00 H new ATOM 0 HB2 MET A 43 3.855 3.075 2.544 1.00 0.00 H new ATOM 0 HB3 MET A 43 4.992 2.004 3.338 1.00 0.00 H new ATOM 0 HG2 MET A 43 4.067 4.584 4.646 1.00 0.00 H new ATOM 0 HG3 MET A 43 3.133 3.108 4.789 1.00 0.00 H new ATOM 0 HE1 MET A 43 6.297 4.760 7.159 1.00 0.00 H new ATOM 0 HE2 MET A 43 4.659 5.220 6.637 1.00 0.00 H new ATOM 0 HE3 MET A 43 4.879 4.175 8.061 1.00 0.00 H new ATOM 676 N THR A 44 6.601 2.934 0.859 1.00 0.00 N ATOM 677 CA THR A 44 7.224 1.842 0.165 1.00 0.00 C ATOM 678 C THR A 44 8.505 2.268 -0.565 1.00 0.00 C ATOM 679 O THR A 44 9.202 1.382 -1.075 1.00 0.00 O ATOM 680 CB THR A 44 6.132 1.062 -0.576 1.00 0.00 C ATOM 681 OG1 THR A 44 6.641 -0.076 -1.233 1.00 0.00 O ATOM 682 CG2 THR A 44 5.262 1.912 -1.487 1.00 0.00 C ATOM 0 H THR A 44 5.979 3.508 0.290 1.00 0.00 H new ATOM 0 HA THR A 44 7.661 1.099 0.833 1.00 0.00 H new ATOM 0 HB THR A 44 5.459 0.712 0.206 1.00 0.00 H new ATOM 0 HG1 THR A 44 6.477 -0.871 -0.684 1.00 0.00 H new ATOM 0 HG21 THR A 44 4.517 1.281 -1.971 1.00 0.00 H new ATOM 0 HG22 THR A 44 4.760 2.680 -0.898 1.00 0.00 H new ATOM 0 HG23 THR A 44 5.884 2.386 -2.246 1.00 0.00 H new ATOM 690 N GLU A 45 8.906 3.553 -0.516 1.00 0.00 N ATOM 691 CA GLU A 45 10.060 4.085 -1.275 1.00 0.00 C ATOM 692 C GLU A 45 9.918 3.703 -2.757 1.00 0.00 C ATOM 693 O GLU A 45 10.914 3.459 -3.443 1.00 0.00 O ATOM 694 CB GLU A 45 11.388 3.521 -0.745 1.00 0.00 C ATOM 695 CG GLU A 45 11.727 3.498 0.754 1.00 0.00 C ATOM 696 CD GLU A 45 12.655 2.296 1.019 1.00 0.00 C ATOM 697 OE1 GLU A 45 13.605 2.074 0.236 1.00 0.00 O ATOM 698 OE2 GLU A 45 12.227 1.359 1.736 1.00 0.00 O ATOM 0 H GLU A 45 8.437 4.257 0.054 1.00 0.00 H new ATOM 0 HA GLU A 45 10.069 5.169 -1.157 1.00 0.00 H new ATOM 0 HB2 GLU A 45 11.454 2.492 -1.097 1.00 0.00 H new ATOM 0 HB3 GLU A 45 12.184 4.078 -1.238 1.00 0.00 H new ATOM 0 HG2 GLU A 45 12.215 4.427 1.048 1.00 0.00 H new ATOM 0 HG3 GLU A 45 10.817 3.414 1.348 1.00 0.00 H new ATOM 705 N HIS A 46 8.681 3.527 -3.221 1.00 0.00 N ATOM 706 CA HIS A 46 8.446 2.737 -4.404 1.00 0.00 C ATOM 707 C HIS A 46 8.192 3.563 -5.660 1.00 0.00 C ATOM 708 O HIS A 46 7.504 4.575 -5.595 1.00 0.00 O ATOM 709 CB HIS A 46 7.272 1.806 -4.132 1.00 0.00 C ATOM 710 CG HIS A 46 6.796 1.023 -5.322 1.00 0.00 C ATOM 711 ND1 HIS A 46 5.714 1.371 -6.079 1.00 0.00 N ATOM 712 CD2 HIS A 46 7.338 -0.105 -5.875 1.00 0.00 C ATOM 713 CE1 HIS A 46 5.619 0.496 -7.090 1.00 0.00 C ATOM 714 NE2 HIS A 46 6.584 -0.430 -7.000 1.00 0.00 N ATOM 0 H HIS A 46 7.843 3.920 -2.794 1.00 0.00 H new ATOM 0 HA HIS A 46 9.357 2.175 -4.610 1.00 0.00 H new ATOM 0 HB2 HIS A 46 7.556 1.107 -3.346 1.00 0.00 H new ATOM 0 HB3 HIS A 46 6.440 2.397 -3.748 1.00 0.00 H new ATOM 0 HD2 HIS A 46 8.196 -0.646 -5.505 1.00 0.00 H new ATOM 0 HE1 HIS A 46 4.870 0.532 -7.868 1.00 0.00 H new ATOM 0 HE2 HIS A 46 6.736 -1.217 -7.631 1.00 0.00 H new ATOM 722 N PRO A 47 8.622 3.023 -6.811 1.00 0.00 N ATOM 723 CA PRO A 47 8.375 3.509 -8.151 1.00 0.00 C ATOM 724 C PRO A 47 7.120 4.312 -8.454 1.00 0.00 C ATOM 725 O PRO A 47 7.280 5.464 -8.846 1.00 0.00 O ATOM 726 CB PRO A 47 8.503 2.283 -9.058 1.00 0.00 C ATOM 727 CG PRO A 47 9.369 1.314 -8.256 1.00 0.00 C ATOM 728 CD PRO A 47 9.581 1.933 -6.917 1.00 0.00 C ATOM 0 HA PRO A 47 9.111 4.294 -8.324 1.00 0.00 H new ATOM 0 HB2 PRO A 47 7.528 1.852 -9.285 1.00 0.00 H new ATOM 0 HB3 PRO A 47 8.968 2.539 -10.010 1.00 0.00 H new ATOM 0 HG2 PRO A 47 8.878 0.345 -8.161 1.00 0.00 H new ATOM 0 HG3 PRO A 47 10.321 1.141 -8.757 1.00 0.00 H new ATOM 0 HD2 PRO A 47 9.428 1.202 -6.123 1.00 0.00 H new ATOM 0 HD3 PRO A 47 10.602 2.303 -6.817 1.00 0.00 H new ATOM 736 N SER A 48 5.919 3.718 -8.411 1.00 0.00 N ATOM 737 CA SER A 48 4.835 4.349 -9.142 1.00 0.00 C ATOM 738 C SER A 48 4.265 5.579 -8.415 1.00 0.00 C ATOM 739 O SER A 48 3.774 6.486 -9.066 1.00 0.00 O ATOM 740 CB SER A 48 3.825 3.312 -9.606 1.00 0.00 C ATOM 741 OG SER A 48 3.905 3.018 -10.983 1.00 0.00 O ATOM 0 H SER A 48 5.690 2.859 -7.911 1.00 0.00 H new ATOM 0 HA SER A 48 5.230 4.783 -10.061 1.00 0.00 H new ATOM 0 HB2 SER A 48 3.974 2.393 -9.038 1.00 0.00 H new ATOM 0 HB3 SER A 48 2.821 3.669 -9.378 1.00 0.00 H new ATOM 0 HG SER A 48 3.001 2.946 -11.355 1.00 0.00 H new ATOM 747 N GLY A 49 4.352 5.574 -7.083 1.00 0.00 N ATOM 748 CA GLY A 49 3.749 6.451 -6.078 1.00 0.00 C ATOM 749 C GLY A 49 2.964 7.627 -6.630 1.00 0.00 C ATOM 750 O GLY A 49 3.446 8.759 -6.593 1.00 0.00 O ATOM 0 H GLY A 49 4.921 4.862 -6.626 1.00 0.00 H new ATOM 0 HA2 GLY A 49 3.086 5.855 -5.451 1.00 0.00 H new ATOM 0 HA3 GLY A 49 4.540 6.834 -5.433 1.00 0.00 H new ATOM 754 N SER A 50 1.761 7.298 -7.103 1.00 0.00 N ATOM 755 CA SER A 50 0.835 8.048 -7.959 1.00 0.00 C ATOM 756 C SER A 50 0.215 7.131 -9.022 1.00 0.00 C ATOM 757 O SER A 50 -0.877 7.419 -9.515 1.00 0.00 O ATOM 758 CB SER A 50 1.560 9.231 -8.655 1.00 0.00 C ATOM 759 OG SER A 50 0.855 9.834 -9.725 1.00 0.00 O ATOM 0 H SER A 50 1.363 6.389 -6.867 1.00 0.00 H new ATOM 0 HA SER A 50 0.043 8.443 -7.323 1.00 0.00 H new ATOM 0 HB2 SER A 50 1.773 9.995 -7.907 1.00 0.00 H new ATOM 0 HB3 SER A 50 2.520 8.876 -9.030 1.00 0.00 H new ATOM 0 HG SER A 50 1.129 9.422 -10.571 1.00 0.00 H new ATOM 765 N ASP A 51 0.802 5.970 -9.338 1.00 0.00 N ATOM 766 CA ASP A 51 0.570 5.303 -10.581 1.00 0.00 C ATOM 767 C ASP A 51 0.522 3.823 -10.209 1.00 0.00 C ATOM 768 O ASP A 51 0.910 2.987 -11.020 1.00 0.00 O ATOM 769 CB ASP A 51 1.713 5.618 -11.583 1.00 0.00 C ATOM 770 CG ASP A 51 1.770 7.023 -12.227 1.00 0.00 C ATOM 771 OD1 ASP A 51 1.306 8.015 -11.617 1.00 0.00 O ATOM 772 OD2 ASP A 51 2.301 7.115 -13.363 1.00 0.00 O ATOM 0 H ASP A 51 1.451 5.482 -8.721 1.00 0.00 H new ATOM 0 HA ASP A 51 -0.348 5.620 -11.076 1.00 0.00 H new ATOM 0 HB2 ASP A 51 2.659 5.452 -11.068 1.00 0.00 H new ATOM 0 HB3 ASP A 51 1.656 4.887 -12.389 1.00 0.00 H new ATOM 777 N LEU A 52 0.208 3.449 -8.946 1.00 0.00 N ATOM 778 CA LEU A 52 0.016 2.056 -8.620 1.00 0.00 C ATOM 779 C LEU A 52 -1.026 1.765 -7.559 1.00 0.00 C ATOM 780 O LEU A 52 -0.882 0.741 -6.927 1.00 0.00 O ATOM 781 CB LEU A 52 1.342 1.429 -8.192 1.00 0.00 C ATOM 782 CG LEU A 52 1.870 1.696 -6.770 1.00 0.00 C ATOM 783 CD1 LEU A 52 2.363 0.364 -6.301 1.00 0.00 C ATOM 784 CD2 LEU A 52 2.946 2.740 -6.545 1.00 0.00 C ATOM 0 H LEU A 52 0.089 4.094 -8.165 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.366 1.614 -9.540 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.249 0.350 -8.311 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.106 1.763 -8.895 1.00 0.00 H new ATOM 0 HG LEU A 52 1.041 2.143 -6.221 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.760 0.458 -5.290 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.539 -0.350 -6.302 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.150 0.012 -6.968 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.190 2.788 -5.484 1.00 0.00 H new ATOM 0 HD22 LEU A 52 3.838 2.471 -7.111 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.585 3.713 -6.878 1.00 0.00 H new ATOM 796 N ILE A 53 -2.031 2.594 -7.298 1.00 0.00 N ATOM 797 CA ILE A 53 -3.142 2.251 -6.417 1.00 0.00 C ATOM 798 C ILE A 53 -4.471 2.520 -7.162 1.00 0.00 C ATOM 799 O ILE A 53 -5.547 2.577 -6.570 1.00 0.00 O ATOM 800 CB ILE A 53 -2.890 2.947 -5.071 1.00 0.00 C ATOM 801 CG1 ILE A 53 -1.709 2.288 -4.333 1.00 0.00 C ATOM 802 CG2 ILE A 53 -4.068 2.844 -4.130 1.00 0.00 C ATOM 803 CD1 ILE A 53 -1.139 3.176 -3.278 1.00 0.00 C ATOM 0 H ILE A 53 -2.098 3.531 -7.695 1.00 0.00 H new ATOM 0 HA ILE A 53 -3.224 1.195 -6.161 1.00 0.00 H new ATOM 0 HB ILE A 53 -2.695 3.990 -5.319 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -2.041 1.354 -3.879 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -0.930 2.034 -5.052 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -3.833 3.353 -3.195 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -4.941 3.310 -4.587 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -4.281 1.794 -3.927 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.309 2.669 -2.785 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -0.781 4.099 -3.734 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -1.910 3.409 -2.543 1.00 0.00 H new ATOM 815 N TYR A 54 -4.399 2.753 -8.479 1.00 0.00 N ATOM 816 CA TYR A 54 -5.514 3.315 -9.229 1.00 0.00 C ATOM 817 C TYR A 54 -5.378 3.190 -10.738 1.00 0.00 C ATOM 818 O TYR A 54 -6.336 2.924 -11.464 1.00 0.00 O ATOM 819 CB TYR A 54 -5.783 4.805 -8.943 1.00 0.00 C ATOM 820 CG TYR A 54 -4.818 5.513 -8.011 1.00 0.00 C ATOM 821 CD1 TYR A 54 -3.452 5.403 -8.286 1.00 0.00 C ATOM 822 CD2 TYR A 54 -5.230 6.143 -6.819 1.00 0.00 C ATOM 823 CE1 TYR A 54 -2.518 5.744 -7.332 1.00 0.00 C ATOM 824 CE2 TYR A 54 -4.265 6.628 -5.908 1.00 0.00 C ATOM 825 CZ TYR A 54 -2.887 6.408 -6.151 1.00 0.00 C ATOM 826 OH TYR A 54 -1.938 6.741 -5.236 1.00 0.00 O ATOM 0 H TYR A 54 -3.572 2.557 -9.044 1.00 0.00 H new ATOM 0 HA TYR A 54 -6.345 2.706 -8.872 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -5.787 5.337 -9.894 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -6.785 4.894 -8.524 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -3.126 5.048 -9.253 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -6.282 6.255 -6.602 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -1.480 5.495 -7.496 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -4.578 7.167 -5.026 1.00 0.00 H new ATOM 0 HH TYR A 54 -1.158 6.158 -5.347 1.00 0.00 H new ATOM 836 N TYR A 55 -4.204 3.629 -11.164 1.00 0.00 N ATOM 837 CA TYR A 55 -3.811 4.044 -12.500 1.00 0.00 C ATOM 838 C TYR A 55 -3.481 2.816 -13.349 1.00 0.00 C ATOM 839 O TYR A 55 -4.015 2.732 -14.455 1.00 0.00 O ATOM 840 CB TYR A 55 -2.645 5.015 -12.294 1.00 0.00 C ATOM 841 CG TYR A 55 -1.976 5.726 -13.453 1.00 0.00 C ATOM 842 CD1 TYR A 55 -1.439 5.018 -14.550 1.00 0.00 C ATOM 843 CD2 TYR A 55 -1.632 7.079 -13.263 1.00 0.00 C ATOM 844 CE1 TYR A 55 -0.502 5.635 -15.397 1.00 0.00 C ATOM 845 CE2 TYR A 55 -0.700 7.699 -14.105 1.00 0.00 C ATOM 846 CZ TYR A 55 -0.089 6.960 -15.138 1.00 0.00 C ATOM 847 OH TYR A 55 1.034 7.450 -15.721 1.00 0.00 O ATOM 0 H TYR A 55 -3.422 3.712 -10.514 1.00 0.00 H new ATOM 0 HA TYR A 55 -4.599 4.551 -13.056 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -2.998 5.789 -11.612 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -1.864 4.462 -11.772 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -1.749 4.001 -14.739 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -2.090 7.642 -12.463 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -0.100 5.097 -16.243 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -0.450 8.740 -13.963 1.00 0.00 H new ATOM 0 HH TYR A 55 1.767 7.449 -15.071 1.00 0.00 H new ATOM 857 N PRO A 56 -2.665 1.849 -12.873 1.00 0.00 N ATOM 858 CA PRO A 56 -2.673 0.498 -13.413 1.00 0.00 C ATOM 859 C PRO A 56 -4.125 0.012 -13.471 1.00 0.00 C ATOM 860 O PRO A 56 -4.863 0.282 -12.521 1.00 0.00 O ATOM 861 CB PRO A 56 -1.868 -0.353 -12.430 1.00 0.00 C ATOM 862 CG PRO A 56 -2.044 0.439 -11.133 1.00 0.00 C ATOM 863 CD PRO A 56 -1.821 1.822 -11.695 1.00 0.00 C ATOM 0 HA PRO A 56 -2.246 0.442 -14.415 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -2.259 -1.367 -12.348 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -0.821 -0.437 -12.721 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -3.032 0.315 -10.690 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -1.316 0.169 -10.368 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -2.104 2.596 -10.981 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -0.774 1.988 -11.948 1.00 0.00 H new ATOM 871 N LYS A 57 -4.582 -0.706 -14.501 1.00 0.00 N ATOM 872 CA LYS A 57 -5.886 -1.355 -14.408 1.00 0.00 C ATOM 873 C LYS A 57 -6.148 -2.528 -15.339 1.00 0.00 C ATOM 874 O LYS A 57 -6.721 -3.533 -14.936 1.00 0.00 O ATOM 875 CB LYS A 57 -6.963 -0.283 -14.588 1.00 0.00 C ATOM 876 CG LYS A 57 -8.333 -0.872 -14.232 1.00 0.00 C ATOM 877 CD LYS A 57 -9.056 -0.068 -13.146 1.00 0.00 C ATOM 878 CE LYS A 57 -8.531 -0.356 -11.730 1.00 0.00 C ATOM 879 NZ LYS A 57 -7.319 0.399 -11.355 1.00 0.00 N ATOM 0 H LYS A 57 -4.085 -0.848 -15.380 1.00 0.00 H new ATOM 0 HA LYS A 57 -5.907 -1.819 -13.422 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -6.747 0.575 -13.951 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -6.966 0.076 -15.617 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -8.954 -0.906 -15.127 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -8.205 -1.900 -13.893 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -8.948 0.996 -13.358 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -10.122 -0.294 -13.184 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -9.320 -0.130 -11.012 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -8.319 -1.422 -11.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -7.172 0.331 -10.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -6.495 0.001 -11.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -7.435 1.397 -11.623 1.00 0.00 H new ATOM 893 N GLU A 58 -5.821 -2.311 -16.590 1.00 0.00 N ATOM 894 CA GLU A 58 -6.334 -3.027 -17.755 1.00 0.00 C ATOM 895 C GLU A 58 -6.139 -4.525 -17.751 1.00 0.00 C ATOM 896 O GLU A 58 -6.918 -5.365 -17.303 1.00 0.00 O ATOM 897 CB GLU A 58 -6.068 -2.251 -19.043 1.00 0.00 C ATOM 898 CG GLU A 58 -6.681 -2.805 -20.350 1.00 0.00 C ATOM 899 CD GLU A 58 -8.188 -2.554 -20.544 1.00 0.00 C ATOM 900 OE1 GLU A 58 -8.881 -2.209 -19.561 1.00 0.00 O ATOM 901 OE2 GLU A 58 -8.644 -2.715 -21.702 1.00 0.00 O ATOM 0 H GLU A 58 -5.149 -1.588 -16.848 1.00 0.00 H new ATOM 0 HA GLU A 58 -7.422 -3.038 -17.683 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -6.434 -1.234 -18.905 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -4.989 -2.185 -19.179 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -6.148 -2.366 -21.193 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -6.504 -3.880 -20.385 1.00 0.00 H new ATOM 908 N GLY A 59 -5.007 -4.774 -18.310 1.00 0.00 N ATOM 909 CA GLY A 59 -4.211 -5.968 -18.160 1.00 0.00 C ATOM 910 C GLY A 59 -3.232 -5.771 -17.012 1.00 0.00 C ATOM 911 O GLY A 59 -2.259 -6.524 -16.943 1.00 0.00 O ATOM 0 H GLY A 59 -4.568 -4.100 -18.937 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -4.853 -6.826 -17.964 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -3.671 -6.179 -19.083 1.00 0.00 H new ATOM 915 N ASP A 60 -3.445 -4.768 -16.148 1.00 0.00 N ATOM 916 CA ASP A 60 -2.394 -4.224 -15.329 1.00 0.00 C ATOM 917 C ASP A 60 -2.809 -4.517 -13.914 1.00 0.00 C ATOM 918 O ASP A 60 -3.921 -4.215 -13.477 1.00 0.00 O ATOM 919 CB ASP A 60 -2.128 -2.725 -15.561 1.00 0.00 C ATOM 920 CG ASP A 60 -2.518 -2.161 -16.931 1.00 0.00 C ATOM 921 OD1 ASP A 60 -2.113 -2.726 -17.969 1.00 0.00 O ATOM 922 OD2 ASP A 60 -3.274 -1.162 -16.919 1.00 0.00 O ATOM 0 H ASP A 60 -4.353 -4.324 -16.010 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.439 -4.683 -15.583 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -2.663 -2.162 -14.796 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -1.065 -2.540 -15.407 1.00 0.00 H new ATOM 927 N ASP A 61 -1.889 -5.203 -13.268 1.00 0.00 N ATOM 928 CA ASP A 61 -1.804 -5.700 -11.928 1.00 0.00 C ATOM 929 C ASP A 61 -2.018 -4.625 -10.867 1.00 0.00 C ATOM 930 O ASP A 61 -1.197 -4.396 -9.995 1.00 0.00 O ATOM 931 CB ASP A 61 -0.481 -6.472 -11.790 1.00 0.00 C ATOM 932 CG ASP A 61 0.819 -5.655 -11.642 1.00 0.00 C ATOM 933 OD1 ASP A 61 1.224 -5.064 -12.667 1.00 0.00 O ATOM 934 OD2 ASP A 61 1.480 -5.742 -10.574 1.00 0.00 O ATOM 0 H ASP A 61 -1.041 -5.463 -13.773 1.00 0.00 H new ATOM 0 HA ASP A 61 -2.629 -6.387 -11.740 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -0.565 -7.127 -10.923 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -0.375 -7.113 -12.665 1.00 0.00 H new ATOM 939 N ASP A 62 -3.183 -3.997 -10.881 1.00 0.00 N ATOM 940 CA ASP A 62 -3.651 -3.101 -9.863 1.00 0.00 C ATOM 941 C ASP A 62 -4.480 -4.049 -8.984 1.00 0.00 C ATOM 942 O ASP A 62 -3.997 -4.800 -8.146 1.00 0.00 O ATOM 943 CB ASP A 62 -4.502 -2.051 -10.534 1.00 0.00 C ATOM 944 CG ASP A 62 -5.498 -1.237 -9.705 1.00 0.00 C ATOM 945 OD1 ASP A 62 -6.678 -1.660 -9.683 1.00 0.00 O ATOM 946 OD2 ASP A 62 -5.223 -0.069 -9.368 1.00 0.00 O ATOM 0 H ASP A 62 -3.851 -4.111 -11.643 1.00 0.00 H new ATOM 0 HA ASP A 62 -2.890 -2.567 -9.294 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -3.827 -1.345 -11.017 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -5.065 -2.546 -11.326 1.00 0.00 H new ATOM 951 N SER A 63 -5.763 -4.189 -9.276 1.00 0.00 N ATOM 952 CA SER A 63 -6.751 -4.662 -8.331 1.00 0.00 C ATOM 953 C SER A 63 -6.547 -3.954 -6.961 1.00 0.00 C ATOM 954 O SER A 63 -5.795 -2.992 -6.860 1.00 0.00 O ATOM 955 CB SER A 63 -6.719 -6.197 -8.266 1.00 0.00 C ATOM 956 OG SER A 63 -6.762 -6.747 -9.567 1.00 0.00 O ATOM 0 H SER A 63 -6.150 -3.972 -10.194 1.00 0.00 H new ATOM 0 HA SER A 63 -7.758 -4.401 -8.656 1.00 0.00 H new ATOM 0 HB2 SER A 63 -5.815 -6.527 -7.755 1.00 0.00 H new ATOM 0 HB3 SER A 63 -7.565 -6.560 -7.683 1.00 0.00 H new ATOM 0 HG SER A 63 -6.739 -7.725 -9.510 1.00 0.00 H new ATOM 962 N PRO A 64 -7.153 -4.403 -5.853 1.00 0.00 N ATOM 963 CA PRO A 64 -6.664 -4.023 -4.528 1.00 0.00 C ATOM 964 C PRO A 64 -5.362 -4.673 -4.096 1.00 0.00 C ATOM 965 O PRO A 64 -4.875 -4.427 -3.000 1.00 0.00 O ATOM 966 CB PRO A 64 -7.761 -4.480 -3.579 1.00 0.00 C ATOM 967 CG PRO A 64 -9.027 -4.420 -4.431 1.00 0.00 C ATOM 968 CD PRO A 64 -8.493 -4.952 -5.757 1.00 0.00 C ATOM 0 HA PRO A 64 -6.450 -2.954 -4.531 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -7.575 -5.488 -3.209 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -7.834 -3.829 -2.708 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -9.828 -5.040 -4.028 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -9.421 -3.407 -4.519 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -8.478 -6.042 -5.771 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -9.115 -4.631 -6.593 1.00 0.00 H new ATOM 976 N SER A 65 -4.858 -5.589 -4.901 1.00 0.00 N ATOM 977 CA SER A 65 -3.921 -6.587 -4.462 1.00 0.00 C ATOM 978 C SER A 65 -2.670 -6.787 -5.258 1.00 0.00 C ATOM 979 O SER A 65 -1.620 -6.903 -4.636 1.00 0.00 O ATOM 980 CB SER A 65 -4.711 -7.875 -4.329 1.00 0.00 C ATOM 981 OG SER A 65 -5.623 -8.068 -5.405 1.00 0.00 O ATOM 0 H SER A 65 -5.096 -5.656 -5.891 1.00 0.00 H new ATOM 0 HA SER A 65 -3.500 -6.226 -3.524 1.00 0.00 H new ATOM 0 HB2 SER A 65 -4.021 -8.718 -4.286 1.00 0.00 H new ATOM 0 HB3 SER A 65 -5.261 -7.865 -3.388 1.00 0.00 H new ATOM 0 HG SER A 65 -6.107 -8.910 -5.276 1.00 0.00 H new ATOM 987 N GLY A 66 -2.808 -6.822 -6.569 1.00 0.00 N ATOM 988 CA GLY A 66 -1.833 -6.609 -7.595 1.00 0.00 C ATOM 989 C GLY A 66 -1.122 -5.300 -7.327 1.00 0.00 C ATOM 990 O GLY A 66 0.077 -5.324 -7.403 1.00 0.00 O ATOM 0 H GLY A 66 -3.720 -7.026 -6.978 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -1.117 -7.431 -7.612 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -2.313 -6.584 -8.573 1.00 0.00 H new ATOM 994 N ILE A 67 -1.761 -4.227 -6.856 1.00 0.00 N ATOM 995 CA ILE A 67 -1.055 -2.980 -6.607 1.00 0.00 C ATOM 996 C ILE A 67 -0.035 -3.081 -5.504 1.00 0.00 C ATOM 997 O ILE A 67 1.133 -2.695 -5.596 1.00 0.00 O ATOM 998 CB ILE A 67 -2.044 -1.840 -6.273 1.00 0.00 C ATOM 999 CG1 ILE A 67 -3.129 -2.229 -5.289 1.00 0.00 C ATOM 1000 CG2 ILE A 67 -2.687 -1.267 -7.517 1.00 0.00 C ATOM 1001 CD1 ILE A 67 -4.179 -1.134 -5.025 1.00 0.00 C ATOM 0 H ILE A 67 -2.758 -4.201 -6.642 1.00 0.00 H new ATOM 0 HA ILE A 67 -0.522 -2.758 -7.532 1.00 0.00 H new ATOM 0 HB ILE A 67 -1.426 -1.081 -5.793 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -3.637 -3.118 -5.662 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -2.662 -2.502 -4.343 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -3.375 -0.469 -7.237 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -1.915 -0.867 -8.174 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -3.235 -2.052 -8.038 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -4.915 -1.501 -4.309 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -3.688 -0.249 -4.620 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -4.678 -0.876 -5.959 1.00 0.00 H new ATOM 1013 N VAL A 68 -0.486 -3.687 -4.427 1.00 0.00 N ATOM 1014 CA VAL A 68 0.363 -3.921 -3.287 1.00 0.00 C ATOM 1015 C VAL A 68 1.402 -4.927 -3.746 1.00 0.00 C ATOM 1016 O VAL A 68 2.522 -4.971 -3.263 1.00 0.00 O ATOM 1017 CB VAL A 68 -0.504 -4.538 -2.175 1.00 0.00 C ATOM 1018 CG1 VAL A 68 0.136 -4.389 -0.798 1.00 0.00 C ATOM 1019 CG2 VAL A 68 -1.847 -3.858 -2.093 1.00 0.00 C ATOM 0 H VAL A 68 -1.442 -4.027 -4.320 1.00 0.00 H new ATOM 0 HA VAL A 68 0.835 -3.012 -2.913 1.00 0.00 H new ATOM 0 HB VAL A 68 -0.606 -5.592 -2.435 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -0.511 -4.839 -0.045 1.00 0.00 H new ATOM 0 HG12 VAL A 68 1.104 -4.890 -0.790 1.00 0.00 H new ATOM 0 HG13 VAL A 68 0.273 -3.331 -0.573 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -2.438 -4.314 -1.299 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -1.706 -2.799 -1.877 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -2.369 -3.968 -3.043 1.00 0.00 H new ATOM 1029 N ASN A 69 0.986 -5.796 -4.653 1.00 0.00 N ATOM 1030 CA ASN A 69 1.791 -6.755 -5.393 1.00 0.00 C ATOM 1031 C ASN A 69 2.841 -6.124 -6.270 1.00 0.00 C ATOM 1032 O ASN A 69 3.941 -6.664 -6.337 1.00 0.00 O ATOM 1033 CB ASN A 69 0.952 -7.753 -6.109 1.00 0.00 C ATOM 1034 CG ASN A 69 0.741 -9.079 -5.377 1.00 0.00 C ATOM 1035 OD1 ASN A 69 1.247 -9.328 -4.278 1.00 0.00 O ATOM 1036 ND2 ASN A 69 -0.115 -9.921 -5.920 1.00 0.00 N ATOM 0 H ASN A 69 0.001 -5.854 -4.911 1.00 0.00 H new ATOM 0 HA ASN A 69 2.359 -7.305 -4.643 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -0.023 -7.308 -6.307 1.00 0.00 H new ATOM 0 HB3 ASN A 69 1.410 -7.960 -7.076 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -0.362 -10.782 -5.433 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -0.530 -9.711 -6.828 1.00 0.00 H new ATOM 1043 N THR A 70 2.563 -4.967 -6.849 1.00 0.00 N ATOM 1044 CA THR A 70 3.470 -4.328 -7.741 1.00 0.00 C ATOM 1045 C THR A 70 4.641 -3.865 -6.875 1.00 0.00 C ATOM 1046 O THR A 70 5.824 -4.056 -7.177 1.00 0.00 O ATOM 1047 CB THR A 70 2.781 -3.151 -8.460 1.00 0.00 C ATOM 1048 OG1 THR A 70 1.538 -3.491 -9.017 1.00 0.00 O ATOM 1049 CG2 THR A 70 3.649 -2.485 -9.528 1.00 0.00 C ATOM 0 H THR A 70 1.693 -4.456 -6.702 1.00 0.00 H new ATOM 0 HA THR A 70 3.815 -4.998 -8.529 1.00 0.00 H new ATOM 0 HB THR A 70 2.617 -2.427 -7.662 1.00 0.00 H new ATOM 0 HG1 THR A 70 1.605 -4.363 -9.459 1.00 0.00 H new ATOM 0 HG21 THR A 70 3.095 -1.667 -9.989 1.00 0.00 H new ATOM 0 HG22 THR A 70 4.557 -2.095 -9.068 1.00 0.00 H new ATOM 0 HG23 THR A 70 3.914 -3.218 -10.290 1.00 0.00 H new ATOM 1057 N VAL A 71 4.282 -3.375 -5.682 1.00 0.00 N ATOM 1058 CA VAL A 71 5.241 -3.092 -4.642 1.00 0.00 C ATOM 1059 C VAL A 71 5.963 -4.338 -4.250 1.00 0.00 C ATOM 1060 O VAL A 71 7.185 -4.319 -4.172 1.00 0.00 O ATOM 1061 CB VAL A 71 4.532 -2.403 -3.471 1.00 0.00 C ATOM 1062 CG1 VAL A 71 5.022 -2.647 -2.059 1.00 0.00 C ATOM 1063 CG2 VAL A 71 4.768 -0.969 -3.797 1.00 0.00 C ATOM 0 H VAL A 71 3.317 -3.169 -5.425 1.00 0.00 H new ATOM 0 HA VAL A 71 6.004 -2.403 -5.005 1.00 0.00 H new ATOM 0 HB VAL A 71 3.512 -2.783 -3.416 1.00 0.00 H new ATOM 0 HG11 VAL A 71 4.407 -2.082 -1.358 1.00 0.00 H new ATOM 0 HG12 VAL A 71 4.952 -3.710 -1.828 1.00 0.00 H new ATOM 0 HG13 VAL A 71 6.060 -2.324 -1.973 1.00 0.00 H new ATOM 0 HG21 VAL A 71 4.309 -0.342 -3.033 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.840 -0.775 -3.830 1.00 0.00 H new ATOM 0 HG23 VAL A 71 4.327 -0.739 -4.767 1.00 0.00 H new ATOM 1073 N LYS A 72 5.223 -5.420 -4.065 1.00 0.00 N ATOM 1074 CA LYS A 72 5.786 -6.743 -3.736 1.00 0.00 C ATOM 1075 C LYS A 72 6.746 -7.354 -4.713 1.00 0.00 C ATOM 1076 O LYS A 72 7.152 -8.500 -4.568 1.00 0.00 O ATOM 1077 CB LYS A 72 4.690 -7.756 -3.483 1.00 0.00 C ATOM 1078 CG LYS A 72 4.804 -8.068 -2.020 1.00 0.00 C ATOM 1079 CD LYS A 72 4.174 -6.876 -1.308 1.00 0.00 C ATOM 1080 CE LYS A 72 2.764 -7.200 -0.777 1.00 0.00 C ATOM 1081 NZ LYS A 72 1.813 -7.556 -1.857 1.00 0.00 N ATOM 0 H LYS A 72 4.206 -5.416 -4.137 1.00 0.00 H new ATOM 0 HA LYS A 72 6.372 -6.517 -2.845 1.00 0.00 H new ATOM 0 HB2 LYS A 72 3.709 -7.350 -3.728 1.00 0.00 H new ATOM 0 HB3 LYS A 72 4.826 -8.650 -4.092 1.00 0.00 H new ATOM 0 HG2 LYS A 72 4.285 -8.994 -1.773 1.00 0.00 H new ATOM 0 HG3 LYS A 72 5.845 -8.198 -1.725 1.00 0.00 H new ATOM 0 HD2 LYS A 72 4.812 -6.570 -0.479 1.00 0.00 H new ATOM 0 HD3 LYS A 72 4.118 -6.032 -1.995 1.00 0.00 H new ATOM 0 HE2 LYS A 72 2.828 -8.026 -0.068 1.00 0.00 H new ATOM 0 HE3 LYS A 72 2.380 -6.339 -0.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 0.839 -7.483 -1.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 1.938 -6.905 -2.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 1.994 -8.531 -2.172 1.00 0.00 H new ATOM 1095 N GLN A 73 7.017 -6.613 -5.747 1.00 0.00 N ATOM 1096 CA GLN A 73 7.743 -6.966 -6.905 1.00 0.00 C ATOM 1097 C GLN A 73 8.960 -6.114 -7.076 1.00 0.00 C ATOM 1098 O GLN A 73 10.053 -6.639 -7.117 1.00 0.00 O ATOM 1099 CB GLN A 73 6.882 -7.155 -8.073 1.00 0.00 C ATOM 1100 CG GLN A 73 6.169 -8.455 -7.668 1.00 0.00 C ATOM 1101 CD GLN A 73 6.884 -9.797 -7.860 1.00 0.00 C ATOM 1102 OE1 GLN A 73 7.098 -10.283 -8.961 1.00 0.00 O ATOM 1103 NE2 GLN A 73 7.296 -10.409 -6.759 1.00 0.00 N ATOM 0 H GLN A 73 6.695 -5.646 -5.792 1.00 0.00 H new ATOM 0 HA GLN A 73 8.160 -7.964 -6.772 1.00 0.00 H new ATOM 0 HB2 GLN A 73 6.189 -6.327 -8.218 1.00 0.00 H new ATOM 0 HB3 GLN A 73 7.450 -7.261 -8.997 1.00 0.00 H new ATOM 0 HG2 GLN A 73 5.910 -8.371 -6.613 1.00 0.00 H new ATOM 0 HG3 GLN A 73 5.232 -8.501 -8.224 1.00 0.00 H new ATOM 0 HE21 GLN A 73 7.112 -9.994 -5.846 1.00 0.00 H new ATOM 0 HE22 GLN A 73 7.797 -11.295 -6.825 1.00 0.00 H new ATOM 1112 N TRP A 74 8.803 -4.805 -6.996 1.00 0.00 N ATOM 1113 CA TRP A 74 9.890 -3.873 -6.839 1.00 0.00 C ATOM 1114 C TRP A 74 10.611 -4.163 -5.527 1.00 0.00 C ATOM 1115 O TRP A 74 11.770 -4.557 -5.545 1.00 0.00 O ATOM 1116 CB TRP A 74 9.429 -2.457 -6.945 1.00 0.00 C ATOM 1117 CG TRP A 74 10.602 -1.549 -7.152 1.00 0.00 C ATOM 1118 CD1 TRP A 74 11.197 -1.291 -8.331 1.00 0.00 C ATOM 1119 CD2 TRP A 74 11.317 -0.739 -6.195 1.00 0.00 C ATOM 1120 NE1 TRP A 74 12.294 -0.473 -8.156 1.00 0.00 N ATOM 1121 CE2 TRP A 74 12.374 -0.043 -6.853 1.00 0.00 C ATOM 1122 CE3 TRP A 74 11.077 -0.435 -4.855 1.00 0.00 C ATOM 1123 CZ2 TRP A 74 13.176 0.902 -6.196 1.00 0.00 C ATOM 1124 CZ3 TRP A 74 11.840 0.540 -4.208 1.00 0.00 C ATOM 1125 CH2 TRP A 74 12.894 1.206 -4.854 1.00 0.00 C ATOM 0 H TRP A 74 7.889 -4.355 -7.040 1.00 0.00 H new ATOM 0 HA TRP A 74 10.599 -4.007 -7.656 1.00 0.00 H new ATOM 0 HB2 TRP A 74 8.729 -2.355 -7.775 1.00 0.00 H new ATOM 0 HB3 TRP A 74 8.894 -2.172 -6.039 1.00 0.00 H new ATOM 0 HD1 TRP A 74 10.862 -1.672 -9.284 1.00 0.00 H new ATOM 0 HE1 TRP A 74 12.954 -0.222 -8.892 1.00 0.00 H new ATOM 0 HE3 TRP A 74 10.299 -0.955 -4.316 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 13.993 1.386 -6.711 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 11.613 0.789 -3.182 1.00 0.00 H new ATOM 0 HH2 TRP A 74 13.481 1.943 -4.326 1.00 0.00 H new ATOM 1136 N ARG A 75 9.916 -4.082 -4.384 1.00 0.00 N ATOM 1137 CA ARG A 75 10.430 -4.452 -3.063 1.00 0.00 C ATOM 1138 C ARG A 75 10.934 -5.904 -3.046 1.00 0.00 C ATOM 1139 O ARG A 75 11.603 -6.279 -2.097 1.00 0.00 O ATOM 1140 CB ARG A 75 9.304 -4.397 -2.001 1.00 0.00 C ATOM 1141 CG ARG A 75 8.878 -2.959 -1.689 1.00 0.00 C ATOM 1142 CD ARG A 75 8.475 -2.755 -0.217 1.00 0.00 C ATOM 1143 NE ARG A 75 8.801 -1.397 0.254 1.00 0.00 N ATOM 1144 CZ ARG A 75 9.732 -1.033 1.155 1.00 0.00 C ATOM 1145 NH1 ARG A 75 10.593 -1.904 1.668 1.00 0.00 N ATOM 1146 NH2 ARG A 75 9.851 0.230 1.533 1.00 0.00 N ATOM 0 H ARG A 75 8.953 -3.747 -4.355 1.00 0.00 H new ATOM 0 HA ARG A 75 11.233 -3.749 -2.843 1.00 0.00 H new ATOM 0 HB2 ARG A 75 8.442 -4.961 -2.357 1.00 0.00 H new ATOM 0 HB3 ARG A 75 9.645 -4.881 -1.086 1.00 0.00 H new ATOM 0 HG2 ARG A 75 9.697 -2.283 -1.932 1.00 0.00 H new ATOM 0 HG3 ARG A 75 8.039 -2.687 -2.330 1.00 0.00 H new ATOM 0 HD2 ARG A 75 7.405 -2.932 -0.105 1.00 0.00 H new ATOM 0 HD3 ARG A 75 8.987 -3.489 0.406 1.00 0.00 H new ATOM 0 HE ARG A 75 8.253 -0.639 -0.153 1.00 0.00 H new ATOM 0 HH11 ARG A 75 10.561 -2.882 1.381 1.00 0.00 H new ATOM 0 HH12 ARG A 75 11.286 -1.595 2.349 1.00 0.00 H new ATOM 0 HH21 ARG A 75 9.233 0.940 1.141 1.00 0.00 H new ATOM 0 HH22 ARG A 75 10.561 0.493 2.217 1.00 0.00 H new ATOM 1160 N ALA A 76 10.612 -6.742 -4.030 1.00 0.00 N ATOM 1161 CA ALA A 76 11.096 -8.119 -4.088 1.00 0.00 C ATOM 1162 C ALA A 76 12.243 -8.346 -5.055 1.00 0.00 C ATOM 1163 O ALA A 76 13.016 -9.286 -4.909 1.00 0.00 O ATOM 1164 CB ALA A 76 9.940 -9.048 -4.411 1.00 0.00 C ATOM 0 H ALA A 76 10.007 -6.484 -4.810 1.00 0.00 H new ATOM 0 HA ALA A 76 11.506 -8.339 -3.102 1.00 0.00 H new ATOM 0 HB1 ALA A 76 10.300 -10.076 -4.454 1.00 0.00 H new ATOM 0 HB2 ALA A 76 9.178 -8.963 -3.636 1.00 0.00 H new ATOM 0 HB3 ALA A 76 9.511 -8.773 -5.374 1.00 0.00 H new ATOM 1170 N ALA A 77 12.370 -7.450 -6.013 1.00 0.00 N ATOM 1171 CA ALA A 77 13.302 -7.536 -7.131 1.00 0.00 C ATOM 1172 C ALA A 77 14.596 -6.861 -6.756 1.00 0.00 C ATOM 1173 O ALA A 77 15.699 -7.363 -6.938 1.00 0.00 O ATOM 1174 CB ALA A 77 12.705 -6.794 -8.329 1.00 0.00 C ATOM 0 H ALA A 77 11.803 -6.602 -6.039 1.00 0.00 H new ATOM 0 HA ALA A 77 13.482 -8.583 -7.377 1.00 0.00 H new ATOM 0 HB1 ALA A 77 13.393 -6.851 -9.172 1.00 0.00 H new ATOM 0 HB2 ALA A 77 11.755 -7.252 -8.604 1.00 0.00 H new ATOM 0 HB3 ALA A 77 12.541 -5.749 -8.065 1.00 0.00 H new ATOM 1180 N ASN A 78 14.385 -5.703 -6.157 1.00 0.00 N ATOM 1181 CA ASN A 78 15.302 -4.994 -5.317 1.00 0.00 C ATOM 1182 C ASN A 78 15.694 -5.815 -4.093 1.00 0.00 C ATOM 1183 O ASN A 78 16.728 -5.624 -3.469 1.00 0.00 O ATOM 1184 CB ASN A 78 14.505 -3.756 -4.926 1.00 0.00 C ATOM 1185 CG ASN A 78 15.350 -2.591 -4.421 1.00 0.00 C ATOM 1186 OD1 ASN A 78 16.201 -2.730 -3.561 1.00 0.00 O ATOM 1187 ND2 ASN A 78 15.103 -1.386 -4.907 1.00 0.00 N ATOM 0 H ASN A 78 13.500 -5.207 -6.260 1.00 0.00 H new ATOM 0 HA ASN A 78 16.247 -4.764 -5.809 1.00 0.00 H new ATOM 0 HB2 ASN A 78 13.929 -3.423 -5.789 1.00 0.00 H new ATOM 0 HB3 ASN A 78 13.788 -4.031 -4.152 1.00 0.00 H new ATOM 0 HD21 ASN A 78 15.624 -0.580 -4.561 1.00 0.00 H new ATOM 0 HD22 ASN A 78 14.392 -1.263 -5.627 1.00 0.00 H new ATOM 1194 N GLY A 79 14.809 -6.747 -3.771 1.00 0.00 N ATOM 1195 CA GLY A 79 14.915 -7.624 -2.603 1.00 0.00 C ATOM 1196 C GLY A 79 14.725 -6.861 -1.286 1.00 0.00 C ATOM 1197 O GLY A 79 15.078 -7.365 -0.221 1.00 0.00 O ATOM 0 H GLY A 79 13.972 -6.923 -4.327 1.00 0.00 H new ATOM 0 HA2 GLY A 79 14.167 -8.414 -2.675 1.00 0.00 H new ATOM 0 HA3 GLY A 79 15.891 -8.109 -2.602 1.00 0.00 H new ATOM 1201 N LYS A 80 14.143 -5.658 -1.384 1.00 0.00 N ATOM 1202 CA LYS A 80 13.827 -4.702 -0.301 1.00 0.00 C ATOM 1203 C LYS A 80 13.572 -5.346 1.045 1.00 0.00 C ATOM 1204 O LYS A 80 14.167 -5.003 2.060 1.00 0.00 O ATOM 1205 CB LYS A 80 12.695 -3.768 -0.619 1.00 0.00 C ATOM 1206 CG LYS A 80 13.227 -2.965 -1.798 1.00 0.00 C ATOM 1207 CD LYS A 80 13.100 -1.566 -1.730 1.00 0.00 C ATOM 1208 CE LYS A 80 11.788 -0.964 -1.621 1.00 0.00 C ATOM 1209 NZ LYS A 80 11.847 0.299 -0.887 1.00 0.00 N ATOM 0 H LYS A 80 13.856 -5.294 -2.293 1.00 0.00 H new ATOM 0 HA LYS A 80 14.745 -4.119 -0.230 1.00 0.00 H new ATOM 0 HB2 LYS A 80 11.786 -4.311 -0.879 1.00 0.00 H new ATOM 0 HB3 LYS A 80 12.452 -3.127 0.228 1.00 0.00 H new ATOM 0 HG2 LYS A 80 14.284 -3.203 -1.920 1.00 0.00 H new ATOM 0 HG3 LYS A 80 12.717 -3.308 -2.698 1.00 0.00 H new ATOM 0 HD2 LYS A 80 13.684 -1.228 -0.874 1.00 0.00 H new ATOM 0 HD3 LYS A 80 13.573 -1.154 -2.621 1.00 0.00 H new ATOM 0 HE2 LYS A 80 11.380 -0.791 -2.617 1.00 0.00 H new ATOM 0 HE3 LYS A 80 11.110 -1.651 -1.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 10.958 0.822 -1.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 11.983 0.106 0.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 12.642 0.869 -1.240 1.00 0.00 H new ATOM 1223 N SER A 81 12.590 -6.233 1.005 1.00 0.00 N ATOM 1224 CA SER A 81 11.819 -6.694 2.106 1.00 0.00 C ATOM 1225 C SER A 81 11.110 -5.456 2.618 1.00 0.00 C ATOM 1226 O SER A 81 10.555 -4.680 1.832 1.00 0.00 O ATOM 1227 CB SER A 81 12.627 -7.570 2.996 1.00 0.00 C ATOM 1228 OG SER A 81 13.435 -8.497 2.287 1.00 0.00 O ATOM 0 H SER A 81 12.305 -6.670 0.129 1.00 0.00 H new ATOM 0 HA SER A 81 11.021 -7.407 1.898 1.00 0.00 H new ATOM 0 HB2 SER A 81 13.265 -6.949 3.624 1.00 0.00 H new ATOM 0 HB3 SER A 81 11.958 -8.116 3.662 1.00 0.00 H new ATOM 0 HG SER A 81 13.943 -9.042 2.924 1.00 0.00 H new ATOM 1234 N GLY A 82 11.127 -5.281 3.912 1.00 0.00 N ATOM 1235 CA GLY A 82 10.337 -4.311 4.626 1.00 0.00 C ATOM 1236 C GLY A 82 9.612 -5.012 5.735 1.00 0.00 C ATOM 1237 O GLY A 82 10.028 -4.953 6.888 1.00 0.00 O ATOM 0 H GLY A 82 11.720 -5.837 4.528 1.00 0.00 H new ATOM 0 HA2 GLY A 82 10.976 -3.525 5.028 1.00 0.00 H new ATOM 0 HA3 GLY A 82 9.627 -3.831 3.953 1.00 0.00 H new ATOM 1241 N PHE A 83 8.539 -5.678 5.346 1.00 0.00 N ATOM 1242 CA PHE A 83 7.497 -6.019 6.253 1.00 0.00 C ATOM 1243 C PHE A 83 7.877 -7.187 7.150 1.00 0.00 C ATOM 1244 O PHE A 83 8.986 -7.690 7.309 1.00 0.00 O ATOM 1245 CB PHE A 83 6.125 -6.215 5.555 1.00 0.00 C ATOM 1246 CG PHE A 83 5.680 -5.225 4.534 1.00 0.00 C ATOM 1247 CD1 PHE A 83 6.214 -5.366 3.260 1.00 0.00 C ATOM 1248 CD2 PHE A 83 4.614 -4.337 4.766 1.00 0.00 C ATOM 1249 CE1 PHE A 83 5.709 -4.643 2.181 1.00 0.00 C ATOM 1250 CE2 PHE A 83 4.128 -3.597 3.679 1.00 0.00 C ATOM 1251 CZ PHE A 83 4.618 -3.772 2.356 1.00 0.00 C ATOM 0 H PHE A 83 8.381 -5.991 4.388 1.00 0.00 H new ATOM 0 HA PHE A 83 7.368 -5.157 6.908 1.00 0.00 H new ATOM 0 HB2 PHE A 83 6.137 -7.195 5.078 1.00 0.00 H new ATOM 0 HB3 PHE A 83 5.363 -6.248 6.333 1.00 0.00 H new ATOM 0 HD1 PHE A 83 7.036 -6.049 3.102 1.00 0.00 H new ATOM 0 HD2 PHE A 83 4.184 -4.229 5.751 1.00 0.00 H new ATOM 0 HE1 PHE A 83 6.158 -4.752 1.205 1.00 0.00 H new ATOM 0 HE2 PHE A 83 3.352 -2.866 3.853 1.00 0.00 H new ATOM 0 HZ PHE A 83 4.171 -3.257 1.519 1.00 0.00 H new ATOM 1261 N LYS A 84 6.779 -7.540 7.746 1.00 0.00 N ATOM 1262 CA LYS A 84 6.363 -8.222 8.884 1.00 0.00 C ATOM 1263 C LYS A 84 5.359 -9.253 8.411 1.00 0.00 C ATOM 1264 O LYS A 84 4.897 -9.276 7.267 1.00 0.00 O ATOM 1265 CB LYS A 84 5.928 -7.113 9.795 1.00 0.00 C ATOM 1266 CG LYS A 84 5.845 -7.475 11.278 1.00 0.00 C ATOM 1267 CD LYS A 84 5.914 -6.187 12.095 1.00 0.00 C ATOM 1268 CE LYS A 84 5.018 -6.191 13.336 1.00 0.00 C ATOM 1269 NZ LYS A 84 5.358 -7.274 14.279 1.00 0.00 N ATOM 0 H LYS A 84 5.925 -7.250 7.269 1.00 0.00 H new ATOM 0 HA LYS A 84 7.074 -8.820 9.454 1.00 0.00 H new ATOM 0 HB2 LYS A 84 6.621 -6.279 9.680 1.00 0.00 H new ATOM 0 HB3 LYS A 84 4.949 -6.761 9.469 1.00 0.00 H new ATOM 0 HG2 LYS A 84 4.917 -8.007 11.487 1.00 0.00 H new ATOM 0 HG3 LYS A 84 6.663 -8.142 11.552 1.00 0.00 H new ATOM 0 HD2 LYS A 84 6.946 -6.019 12.404 1.00 0.00 H new ATOM 0 HD3 LYS A 84 5.632 -5.349 11.458 1.00 0.00 H new ATOM 0 HE2 LYS A 84 5.104 -5.231 13.845 1.00 0.00 H new ATOM 0 HE3 LYS A 84 3.978 -6.296 13.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 4.490 -7.627 14.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 5.821 -8.050 13.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 6.003 -6.909 15.008 1.00 0.00 H new ATOM 1283 N GLN A 85 4.988 -10.062 9.365 1.00 0.00 N ATOM 1284 CA GLN A 85 4.033 -11.161 9.266 1.00 0.00 C ATOM 1285 C GLN A 85 2.957 -11.072 10.326 1.00 0.00 C ATOM 1286 O GLN A 85 1.768 -11.027 10.016 1.00 0.00 O ATOM 1287 CB GLN A 85 4.682 -12.489 9.123 1.00 0.00 C ATOM 1288 CG GLN A 85 4.445 -13.221 7.789 1.00 0.00 C ATOM 1289 CD GLN A 85 5.246 -14.518 7.682 1.00 0.00 C ATOM 1290 OE1 GLN A 85 5.289 -15.324 8.602 1.00 0.00 O ATOM 1291 NE2 GLN A 85 5.894 -14.759 6.553 1.00 0.00 N ATOM 0 H GLN A 85 5.367 -9.974 10.308 1.00 0.00 H new ATOM 0 HA GLN A 85 3.499 -11.045 8.323 1.00 0.00 H new ATOM 0 HB2 GLN A 85 5.756 -12.362 9.258 1.00 0.00 H new ATOM 0 HB3 GLN A 85 4.333 -13.130 9.932 1.00 0.00 H new ATOM 0 HG2 GLN A 85 3.383 -13.444 7.684 1.00 0.00 H new ATOM 0 HG3 GLN A 85 4.715 -12.562 6.964 1.00 0.00 H new ATOM 0 HE21 GLN A 85 5.855 -14.084 5.789 1.00 0.00 H new ATOM 0 HE22 GLN A 85 6.432 -15.619 6.447 1.00 0.00 H new ATOM 1300 N GLY A 86 3.426 -10.956 11.557 1.00 0.00 N ATOM 1301 CA GLY A 86 2.716 -10.543 12.744 1.00 0.00 C ATOM 1302 C GLY A 86 3.694 -9.708 13.554 1.00 0.00 C ATOM 1303 O GLY A 86 3.254 -8.922 14.413 1.00 0.00 O ATOM 1304 OXT GLY A 86 4.911 -9.758 13.250 1.00 0.00 O ATOM 0 H GLY A 86 4.402 -11.169 11.763 1.00 0.00 H new ATOM 0 HA2 GLY A 86 1.830 -9.963 12.486 1.00 0.00 H new ATOM 0 HA3 GLY A 86 2.376 -11.407 13.315 1.00 0.00 H new