USER MOD reduce.3.24.130724 H: found=0, std=0, add=561, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 562 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 Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -0.0657 X(o=-0.066,f=-0.066) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0337 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN : amide:sc= -0.039 K(o=-0.039,f=-1.5!) USER MOD Single : A 21 LYS NZ :NH3+ 176:sc= 1.2 (180deg=1.13) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN :FLIP amide:sc= -0.0143 F(o=-1.1!,f=-0.014) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.0974 X(o=-0.097,f=-0.098) USER MOD Single : A 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= 0.833 K(o=0.83,f=-0.39) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 ASN : amide:sc= 0.275 K(o=0.27,f=-3.4!) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 79:sc= 1.12 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 125:sc= 0.606 USER MOD ----------------------------------------------------------------- ATOM 40 N ALA A 3 12.316 3.341 4.021 1.00 0.00 N ATOM 41 CA ALA A 3 11.261 3.118 5.001 1.00 0.00 C ATOM 42 C ALA A 3 11.502 3.875 6.314 1.00 0.00 C ATOM 43 O ALA A 3 10.815 4.839 6.616 1.00 0.00 O ATOM 44 CB ALA A 3 11.056 1.623 5.237 1.00 0.00 C ATOM 0 HA ALA A 3 10.341 3.528 4.585 1.00 0.00 H new ATOM 0 HB1 ALA A 3 10.264 1.476 5.972 1.00 0.00 H new ATOM 0 HB2 ALA A 3 10.775 1.142 4.300 1.00 0.00 H new ATOM 0 HB3 ALA A 3 11.982 1.183 5.608 1.00 0.00 H new ATOM 50 N SER A 4 12.362 3.285 7.149 1.00 0.00 N ATOM 51 CA SER A 4 12.355 3.229 8.618 1.00 0.00 C ATOM 52 C SER A 4 11.024 3.000 9.338 1.00 0.00 C ATOM 53 O SER A 4 11.051 2.599 10.497 1.00 0.00 O ATOM 54 CB SER A 4 13.051 4.443 9.256 1.00 0.00 C ATOM 55 OG SER A 4 14.335 4.691 8.716 1.00 0.00 O ATOM 0 H SER A 4 13.166 2.781 6.775 1.00 0.00 H new ATOM 0 HA SER A 4 12.916 2.307 8.773 1.00 0.00 H new ATOM 0 HB2 SER A 4 12.428 5.326 9.117 1.00 0.00 H new ATOM 0 HB3 SER A 4 13.140 4.281 10.330 1.00 0.00 H new ATOM 0 HG SER A 4 14.729 5.473 9.156 1.00 0.00 H new ATOM 61 N GLU A 5 9.897 3.161 8.665 1.00 0.00 N ATOM 62 CA GLU A 5 8.594 2.778 9.174 1.00 0.00 C ATOM 63 C GLU A 5 8.210 1.445 8.528 1.00 0.00 C ATOM 64 O GLU A 5 8.070 0.435 9.201 1.00 0.00 O ATOM 65 CB GLU A 5 7.620 3.956 8.957 1.00 0.00 C ATOM 66 CG GLU A 5 7.334 4.249 7.477 1.00 0.00 C ATOM 67 CD GLU A 5 6.842 5.648 7.109 1.00 0.00 C ATOM 68 OE1 GLU A 5 6.940 6.607 7.905 1.00 0.00 O ATOM 69 OE2 GLU A 5 6.417 5.836 5.945 1.00 0.00 O ATOM 0 H GLU A 5 9.863 3.570 7.731 1.00 0.00 H new ATOM 0 HA GLU A 5 8.575 2.595 10.248 1.00 0.00 H new ATOM 0 HB2 GLU A 5 6.680 3.738 9.464 1.00 0.00 H new ATOM 0 HB3 GLU A 5 8.034 4.850 9.423 1.00 0.00 H new ATOM 0 HG2 GLU A 5 8.248 4.057 6.915 1.00 0.00 H new ATOM 0 HG3 GLU A 5 6.590 3.531 7.131 1.00 0.00 H new ATOM 76 N LEU A 6 8.165 1.375 7.197 1.00 0.00 N ATOM 77 CA LEU A 6 7.599 0.218 6.501 1.00 0.00 C ATOM 78 C LEU A 6 8.492 -1.016 6.536 1.00 0.00 C ATOM 79 O LEU A 6 8.002 -2.087 6.218 1.00 0.00 O ATOM 80 CB LEU A 6 7.260 0.549 5.033 1.00 0.00 C ATOM 81 CG LEU A 6 5.826 1.015 4.710 1.00 0.00 C ATOM 82 CD1 LEU A 6 4.741 0.229 5.465 1.00 0.00 C ATOM 83 CD2 LEU A 6 5.641 2.527 4.879 1.00 0.00 C ATOM 0 H LEU A 6 8.514 2.107 6.578 1.00 0.00 H new ATOM 0 HA LEU A 6 6.687 -0.018 7.050 1.00 0.00 H new ATOM 0 HB2 LEU A 6 7.947 1.326 4.698 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.466 -0.338 4.434 1.00 0.00 H new ATOM 0 HG LEU A 6 5.691 0.789 3.652 1.00 0.00 H new ATOM 0 HD11 LEU A 6 3.758 0.610 5.190 1.00 0.00 H new ATOM 0 HD12 LEU A 6 4.808 -0.827 5.203 1.00 0.00 H new ATOM 0 HD13 LEU A 6 4.888 0.346 6.539 1.00 0.00 H new ATOM 0 HD21 LEU A 6 4.613 2.797 4.638 1.00 0.00 H new ATOM 0 HD22 LEU A 6 5.858 2.807 5.910 1.00 0.00 H new ATOM 0 HD23 LEU A 6 6.321 3.054 4.209 1.00 0.00 H new ATOM 95 N ARG A 7 9.778 -0.924 6.883 1.00 0.00 N ATOM 96 CA ARG A 7 10.633 -2.075 7.118 1.00 0.00 C ATOM 97 C ARG A 7 10.605 -2.490 8.587 1.00 0.00 C ATOM 98 O ARG A 7 11.046 -3.588 8.906 1.00 0.00 O ATOM 99 CB ARG A 7 12.036 -1.657 6.659 1.00 0.00 C ATOM 100 CG ARG A 7 12.980 -2.842 6.508 1.00 0.00 C ATOM 101 CD ARG A 7 13.858 -3.133 7.734 1.00 0.00 C ATOM 102 NE ARG A 7 13.739 -4.538 8.182 1.00 0.00 N ATOM 103 CZ ARG A 7 14.550 -5.573 7.898 1.00 0.00 C ATOM 104 NH1 ARG A 7 15.571 -5.456 7.053 1.00 0.00 N ATOM 105 NH2 ARG A 7 14.304 -6.763 8.432 1.00 0.00 N ATOM 0 H ARG A 7 10.255 -0.031 7.009 1.00 0.00 H new ATOM 0 HA ARG A 7 10.293 -2.950 6.565 1.00 0.00 H new ATOM 0 HB2 ARG A 7 11.961 -1.133 5.706 1.00 0.00 H new ATOM 0 HB3 ARG A 7 12.455 -0.953 7.378 1.00 0.00 H new ATOM 0 HG2 ARG A 7 12.390 -3.731 6.283 1.00 0.00 H new ATOM 0 HG3 ARG A 7 13.628 -2.664 5.650 1.00 0.00 H new ATOM 0 HD2 ARG A 7 14.899 -2.916 7.494 1.00 0.00 H new ATOM 0 HD3 ARG A 7 13.574 -2.468 8.549 1.00 0.00 H new ATOM 0 HE ARG A 7 12.941 -4.748 8.782 1.00 0.00 H new ATOM 0 HH11 ARG A 7 15.757 -4.562 6.599 1.00 0.00 H new ATOM 0 HH12 ARG A 7 16.167 -6.261 6.859 1.00 0.00 H new ATOM 0 HH21 ARG A 7 13.505 -6.888 9.053 1.00 0.00 H new ATOM 0 HH22 ARG A 7 14.914 -7.553 8.221 1.00 0.00 H new ATOM 119 N ASN A 8 10.155 -1.589 9.464 1.00 0.00 N ATOM 120 CA ASN A 8 10.316 -1.697 10.917 1.00 0.00 C ATOM 121 C ASN A 8 9.285 -2.616 11.559 1.00 0.00 C ATOM 122 O ASN A 8 9.524 -3.134 12.649 1.00 0.00 O ATOM 123 CB ASN A 8 10.210 -0.303 11.550 1.00 0.00 C ATOM 124 CG ASN A 8 10.270 -0.322 13.070 1.00 0.00 C ATOM 125 OD1 ASN A 8 11.288 -0.703 13.633 1.00 0.00 O ATOM 126 ND2 ASN A 8 9.234 0.129 13.751 1.00 0.00 N ATOM 0 H ASN A 8 9.658 -0.746 9.178 1.00 0.00 H new ATOM 0 HA ASN A 8 11.299 -2.132 11.098 1.00 0.00 H new ATOM 0 HB2 ASN A 8 11.018 0.323 11.170 1.00 0.00 H new ATOM 0 HB3 ASN A 8 9.274 0.160 11.237 1.00 0.00 H new ATOM 0 HD21 ASN A 8 9.270 0.166 14.770 1.00 0.00 H new ATOM 0 HD22 ASN A 8 8.397 0.441 13.259 1.00 0.00 H new ATOM 133 N TYR A 9 8.137 -2.826 10.914 1.00 0.00 N ATOM 134 CA TYR A 9 7.099 -3.691 11.426 1.00 0.00 C ATOM 135 C TYR A 9 7.590 -5.136 11.575 1.00 0.00 C ATOM 136 O TYR A 9 8.636 -5.493 11.026 1.00 0.00 O ATOM 137 CB TYR A 9 5.842 -3.484 10.588 1.00 0.00 C ATOM 138 CG TYR A 9 5.265 -2.101 10.757 1.00 0.00 C ATOM 139 CD1 TYR A 9 4.476 -1.801 11.878 1.00 0.00 C ATOM 140 CD2 TYR A 9 5.527 -1.116 9.787 1.00 0.00 C ATOM 141 CE1 TYR A 9 3.948 -0.506 12.028 1.00 0.00 C ATOM 142 CE2 TYR A 9 4.990 0.174 9.925 1.00 0.00 C ATOM 143 CZ TYR A 9 4.202 0.483 11.054 1.00 0.00 C ATOM 144 OH TYR A 9 3.726 1.743 11.236 1.00 0.00 O ATOM 0 H TYR A 9 7.910 -2.394 10.018 1.00 0.00 H new ATOM 0 HA TYR A 9 6.828 -3.427 12.448 1.00 0.00 H new ATOM 0 HB2 TYR A 9 6.077 -3.652 9.537 1.00 0.00 H new ATOM 0 HB3 TYR A 9 5.094 -4.225 10.870 1.00 0.00 H new ATOM 0 HD1 TYR A 9 4.276 -2.559 12.620 1.00 0.00 H new ATOM 0 HD2 TYR A 9 6.144 -1.353 8.933 1.00 0.00 H new ATOM 0 HE1 TYR A 9 3.346 -0.268 12.892 1.00 0.00 H new ATOM 0 HE2 TYR A 9 5.179 0.925 9.172 1.00 0.00 H new ATOM 0 HH TYR A 9 3.988 2.304 10.477 1.00 0.00 H new ATOM 154 N THR A 10 6.896 -5.966 12.353 1.00 0.00 N ATOM 155 CA THR A 10 7.254 -7.377 12.476 1.00 0.00 C ATOM 156 C THR A 10 6.853 -8.131 11.215 1.00 0.00 C ATOM 157 O THR A 10 6.006 -7.648 10.479 1.00 0.00 O ATOM 158 CB THR A 10 6.557 -7.999 13.680 1.00 0.00 C ATOM 159 OG1 THR A 10 5.152 -7.880 13.615 1.00 0.00 O ATOM 160 CG2 THR A 10 7.037 -7.386 14.991 1.00 0.00 C ATOM 0 H THR A 10 6.086 -5.686 12.905 1.00 0.00 H new ATOM 0 HA THR A 10 8.333 -7.447 12.612 1.00 0.00 H new ATOM 0 HB THR A 10 6.821 -9.056 13.652 1.00 0.00 H new ATOM 0 HG1 THR A 10 4.752 -8.295 14.407 1.00 0.00 H new ATOM 0 HG21 THR A 10 6.516 -7.857 15.825 1.00 0.00 H new ATOM 0 HG22 THR A 10 8.110 -7.546 15.096 1.00 0.00 H new ATOM 0 HG23 THR A 10 6.829 -6.316 14.990 1.00 0.00 H new ATOM 168 N ASP A 11 7.382 -9.333 10.961 1.00 0.00 N ATOM 169 CA ASP A 11 7.113 -10.051 9.704 1.00 0.00 C ATOM 170 C ASP A 11 5.619 -10.251 9.438 1.00 0.00 C ATOM 171 O ASP A 11 5.229 -10.385 8.279 1.00 0.00 O ATOM 172 CB ASP A 11 7.844 -11.399 9.670 1.00 0.00 C ATOM 173 CG ASP A 11 9.061 -11.437 8.733 1.00 0.00 C ATOM 174 OD1 ASP A 11 9.810 -10.444 8.625 1.00 0.00 O ATOM 175 OD2 ASP A 11 9.258 -12.458 8.030 1.00 0.00 O ATOM 0 H ASP A 11 7.997 -9.830 11.605 1.00 0.00 H new ATOM 0 HA ASP A 11 7.498 -9.417 8.905 1.00 0.00 H new ATOM 0 HB2 ASP A 11 8.170 -11.647 10.680 1.00 0.00 H new ATOM 0 HB3 ASP A 11 7.140 -12.173 9.363 1.00 0.00 H new ATOM 180 N GLU A 12 4.790 -10.278 10.483 1.00 0.00 N ATOM 181 CA GLU A 12 3.343 -10.317 10.353 1.00 0.00 C ATOM 182 C GLU A 12 2.754 -8.927 10.167 1.00 0.00 C ATOM 183 O GLU A 12 1.948 -8.733 9.262 1.00 0.00 O ATOM 184 CB GLU A 12 2.742 -10.977 11.591 1.00 0.00 C ATOM 185 CG GLU A 12 2.952 -12.488 11.490 1.00 0.00 C ATOM 186 CD GLU A 12 2.086 -13.210 12.502 1.00 0.00 C ATOM 187 OE1 GLU A 12 0.892 -13.442 12.201 1.00 0.00 O ATOM 188 OE2 GLU A 12 2.615 -13.571 13.579 1.00 0.00 O ATOM 0 H GLU A 12 5.113 -10.273 11.450 1.00 0.00 H new ATOM 0 HA GLU A 12 3.098 -10.898 9.464 1.00 0.00 H new ATOM 0 HB2 GLU A 12 3.215 -10.589 12.493 1.00 0.00 H new ATOM 0 HB3 GLU A 12 1.679 -10.747 11.664 1.00 0.00 H new ATOM 0 HG2 GLU A 12 2.708 -12.829 10.484 1.00 0.00 H new ATOM 0 HG3 GLU A 12 4.001 -12.728 11.662 1.00 0.00 H new ATOM 195 N GLU A 13 3.158 -7.956 10.989 1.00 0.00 N ATOM 196 CA GLU A 13 2.630 -6.594 10.872 1.00 0.00 C ATOM 197 C GLU A 13 2.916 -6.056 9.475 1.00 0.00 C ATOM 198 O GLU A 13 2.041 -5.461 8.865 1.00 0.00 O ATOM 199 CB GLU A 13 3.258 -5.676 11.929 1.00 0.00 C ATOM 200 CG GLU A 13 2.599 -5.751 13.306 1.00 0.00 C ATOM 201 CD GLU A 13 1.380 -4.832 13.406 1.00 0.00 C ATOM 202 OE1 GLU A 13 1.549 -3.586 13.486 1.00 0.00 O ATOM 203 OE2 GLU A 13 0.254 -5.365 13.446 1.00 0.00 O ATOM 0 H GLU A 13 3.841 -8.084 11.735 1.00 0.00 H new ATOM 0 HA GLU A 13 1.553 -6.619 11.038 1.00 0.00 H new ATOM 0 HB2 GLU A 13 4.313 -5.929 12.031 1.00 0.00 H new ATOM 0 HB3 GLU A 13 3.210 -4.647 11.573 1.00 0.00 H new ATOM 0 HG2 GLU A 13 2.297 -6.778 13.508 1.00 0.00 H new ATOM 0 HG3 GLU A 13 3.325 -5.476 14.071 1.00 0.00 H new ATOM 210 N LEU A 14 4.115 -6.330 8.948 1.00 0.00 N ATOM 211 CA LEU A 14 4.621 -5.938 7.638 1.00 0.00 C ATOM 212 C LEU A 14 3.606 -6.338 6.594 1.00 0.00 C ATOM 213 O LEU A 14 2.991 -5.472 5.975 1.00 0.00 O ATOM 214 CB LEU A 14 6.009 -6.570 7.373 1.00 0.00 C ATOM 215 CG LEU A 14 7.120 -5.948 8.232 1.00 0.00 C ATOM 216 CD1 LEU A 14 8.354 -6.844 8.348 1.00 0.00 C ATOM 217 CD2 LEU A 14 7.577 -4.563 7.788 1.00 0.00 C ATOM 0 H LEU A 14 4.804 -6.872 9.469 1.00 0.00 H new ATOM 0 HA LEU A 14 4.762 -4.858 7.597 1.00 0.00 H new ATOM 0 HB2 LEU A 14 5.959 -7.641 7.571 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.262 -6.452 6.319 1.00 0.00 H new ATOM 0 HG LEU A 14 6.639 -5.845 9.205 1.00 0.00 H new ATOM 0 HD11 LEU A 14 9.104 -6.351 8.966 1.00 0.00 H new ATOM 0 HD12 LEU A 14 8.073 -7.793 8.805 1.00 0.00 H new ATOM 0 HD13 LEU A 14 8.765 -7.027 7.355 1.00 0.00 H new ATOM 0 HD21 LEU A 14 8.362 -4.208 8.455 1.00 0.00 H new ATOM 0 HD22 LEU A 14 7.962 -4.616 6.770 1.00 0.00 H new ATOM 0 HD23 LEU A 14 6.733 -3.873 7.821 1.00 0.00 H new ATOM 229 N LYS A 15 3.426 -7.636 6.360 1.00 0.00 N ATOM 230 CA LYS A 15 2.470 -8.108 5.383 1.00 0.00 C ATOM 231 C LYS A 15 1.121 -7.502 5.660 1.00 0.00 C ATOM 232 O LYS A 15 0.525 -7.014 4.720 1.00 0.00 O ATOM 233 CB LYS A 15 2.431 -9.641 5.283 1.00 0.00 C ATOM 234 CG LYS A 15 2.381 -10.460 6.591 1.00 0.00 C ATOM 235 CD LYS A 15 0.977 -10.722 7.163 1.00 0.00 C ATOM 236 CE LYS A 15 0.143 -11.746 6.398 1.00 0.00 C ATOM 237 NZ LYS A 15 0.283 -13.102 6.947 1.00 0.00 N ATOM 0 H LYS A 15 3.937 -8.377 6.841 1.00 0.00 H new ATOM 0 HA LYS A 15 2.794 -7.775 4.397 1.00 0.00 H new ATOM 0 HB2 LYS A 15 1.560 -9.913 4.687 1.00 0.00 H new ATOM 0 HB3 LYS A 15 3.311 -9.960 4.725 1.00 0.00 H new ATOM 0 HG2 LYS A 15 2.866 -11.420 6.415 1.00 0.00 H new ATOM 0 HG3 LYS A 15 2.969 -9.939 7.346 1.00 0.00 H new ATOM 0 HD2 LYS A 15 1.080 -11.059 8.195 1.00 0.00 H new ATOM 0 HD3 LYS A 15 0.431 -9.779 7.189 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -0.906 -11.451 6.427 1.00 0.00 H new ATOM 0 HE3 LYS A 15 0.445 -11.748 5.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -0.301 -13.762 6.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 1.279 -13.396 6.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -0.030 -13.109 7.939 1.00 0.00 H new ATOM 251 N ASN A 16 0.688 -7.401 6.905 1.00 0.00 N ATOM 252 CA ASN A 16 -0.656 -6.936 7.198 1.00 0.00 C ATOM 253 C ASN A 16 -0.820 -5.427 6.955 1.00 0.00 C ATOM 254 O ASN A 16 -1.917 -4.893 7.088 1.00 0.00 O ATOM 255 CB ASN A 16 -0.975 -7.304 8.646 1.00 0.00 C ATOM 256 CG ASN A 16 -2.456 -7.551 8.910 1.00 0.00 C ATOM 257 OD1 ASN A 16 -3.268 -7.762 8.012 1.00 0.00 O ATOM 258 ND2 ASN A 16 -2.831 -7.620 10.178 1.00 0.00 N ATOM 0 H ASN A 16 1.246 -7.634 7.727 1.00 0.00 H new ATOM 0 HA ASN A 16 -1.359 -7.421 6.520 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -0.414 -8.199 8.915 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -0.629 -6.503 9.299 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -3.797 -7.849 10.412 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -2.154 -7.444 10.920 1.00 0.00 H new ATOM 265 N LEU A 17 0.250 -4.723 6.566 1.00 0.00 N ATOM 266 CA LEU A 17 0.192 -3.379 5.987 1.00 0.00 C ATOM 267 C LEU A 17 0.187 -3.543 4.482 1.00 0.00 C ATOM 268 O LEU A 17 -0.624 -2.956 3.777 1.00 0.00 O ATOM 269 CB LEU A 17 1.447 -2.526 6.275 1.00 0.00 C ATOM 270 CG LEU A 17 1.711 -2.001 7.687 1.00 0.00 C ATOM 271 CD1 LEU A 17 0.644 -2.317 8.734 1.00 0.00 C ATOM 272 CD2 LEU A 17 3.093 -2.495 8.104 1.00 0.00 C ATOM 0 H LEU A 17 1.201 -5.082 6.648 1.00 0.00 H new ATOM 0 HA LEU A 17 -0.684 -2.890 6.413 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.314 -3.118 5.982 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.411 -1.663 5.610 1.00 0.00 H new ATOM 0 HG LEU A 17 1.668 -0.913 7.643 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.940 -1.895 9.694 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.308 -1.884 8.426 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.537 -3.397 8.830 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.318 -2.140 9.110 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.109 -3.585 8.092 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.841 -2.114 7.409 1.00 0.00 H new ATOM 284 N LEU A 18 1.188 -4.253 3.963 1.00 0.00 N ATOM 285 CA LEU A 18 1.541 -4.115 2.552 1.00 0.00 C ATOM 286 C LEU A 18 0.604 -4.929 1.684 1.00 0.00 C ATOM 287 O LEU A 18 0.432 -4.626 0.504 1.00 0.00 O ATOM 288 CB LEU A 18 3.014 -4.458 2.245 1.00 0.00 C ATOM 289 CG LEU A 18 4.097 -4.182 3.324 1.00 0.00 C ATOM 290 CD1 LEU A 18 4.821 -5.456 3.749 1.00 0.00 C ATOM 291 CD2 LEU A 18 5.222 -3.225 2.920 1.00 0.00 C ATOM 0 H LEU A 18 1.759 -4.917 4.487 1.00 0.00 H new ATOM 0 HA LEU A 18 1.424 -3.058 2.312 1.00 0.00 H new ATOM 0 HB2 LEU A 18 3.059 -5.519 1.998 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.298 -3.910 1.347 1.00 0.00 H new ATOM 0 HG LEU A 18 3.500 -3.730 4.116 1.00 0.00 H new ATOM 0 HD11 LEU A 18 5.569 -5.215 4.504 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.102 -6.162 4.163 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.311 -5.902 2.883 1.00 0.00 H new ATOM 0 HD21 LEU A 18 5.917 -3.109 3.752 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.752 -3.630 2.058 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.799 -2.254 2.663 1.00 0.00 H new ATOM 303 N GLU A 19 -0.006 -5.930 2.287 1.00 0.00 N ATOM 304 CA GLU A 19 -1.222 -6.567 1.846 1.00 0.00 C ATOM 305 C GLU A 19 -2.423 -5.616 1.961 1.00 0.00 C ATOM 306 O GLU A 19 -3.108 -5.429 0.958 1.00 0.00 O ATOM 307 CB GLU A 19 -1.371 -7.919 2.553 1.00 0.00 C ATOM 308 CG GLU A 19 -2.340 -8.074 3.722 1.00 0.00 C ATOM 309 CD GLU A 19 -2.322 -9.551 4.128 1.00 0.00 C ATOM 310 OE1 GLU A 19 -2.650 -10.399 3.257 1.00 0.00 O ATOM 311 OE2 GLU A 19 -1.924 -9.885 5.266 1.00 0.00 O ATOM 0 H GLU A 19 0.358 -6.341 3.147 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.177 -6.793 0.781 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -1.659 -8.649 1.796 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -0.383 -8.206 2.913 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -2.040 -7.441 4.557 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -3.345 -7.766 3.433 1.00 0.00 H new ATOM 318 N GLU A 20 -2.659 -4.986 3.122 1.00 0.00 N ATOM 319 CA GLU A 20 -3.843 -4.156 3.363 1.00 0.00 C ATOM 320 C GLU A 20 -3.927 -3.019 2.356 1.00 0.00 C ATOM 321 O GLU A 20 -4.917 -2.887 1.644 1.00 0.00 O ATOM 322 CB GLU A 20 -3.905 -3.640 4.812 1.00 0.00 C ATOM 323 CG GLU A 20 -5.226 -2.894 5.108 1.00 0.00 C ATOM 324 CD GLU A 20 -5.112 -1.366 5.238 1.00 0.00 C ATOM 325 OE1 GLU A 20 -4.421 -0.669 4.463 1.00 0.00 O ATOM 326 OE2 GLU A 20 -5.856 -0.771 6.042 1.00 0.00 O ATOM 0 H GLU A 20 -2.029 -5.040 3.922 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.718 -4.790 3.222 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -3.801 -4.479 5.500 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -3.063 -2.972 4.995 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -5.936 -3.121 4.313 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -5.646 -3.289 6.033 1.00 0.00 H new ATOM 333 N LYS A 21 -2.871 -2.225 2.237 1.00 0.00 N ATOM 334 CA LYS A 21 -2.780 -1.113 1.334 1.00 0.00 C ATOM 335 C LYS A 21 -3.020 -1.666 -0.072 1.00 0.00 C ATOM 336 O LYS A 21 -3.952 -1.195 -0.729 1.00 0.00 O ATOM 337 CB LYS A 21 -1.431 -0.413 1.606 1.00 0.00 C ATOM 338 CG LYS A 21 -1.289 0.145 3.039 1.00 0.00 C ATOM 339 CD LYS A 21 -2.228 1.279 3.447 1.00 0.00 C ATOM 340 CE LYS A 21 -1.711 2.641 3.007 1.00 0.00 C ATOM 341 NZ LYS A 21 -2.552 3.749 3.497 1.00 0.00 N ATOM 0 H LYS A 21 -2.027 -2.353 2.795 1.00 0.00 H new ATOM 0 HA LYS A 21 -3.528 -0.331 1.464 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -0.623 -1.121 1.421 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -1.308 0.404 0.895 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -1.433 -0.679 3.737 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.264 0.494 3.165 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -3.212 1.108 3.011 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -2.354 1.273 4.530 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -0.692 2.774 3.371 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -1.668 2.676 1.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -2.121 4.657 3.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -3.500 3.678 3.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -2.628 3.695 4.533 1.00 0.00 H new ATOM 355 N LYS A 22 -2.243 -2.648 -0.572 1.00 0.00 N ATOM 356 CA LYS A 22 -2.469 -3.153 -1.929 1.00 0.00 C ATOM 357 C LYS A 22 -3.940 -3.569 -2.145 1.00 0.00 C ATOM 358 O LYS A 22 -4.467 -3.233 -3.207 1.00 0.00 O ATOM 359 CB LYS A 22 -1.464 -4.212 -2.422 1.00 0.00 C ATOM 360 CG LYS A 22 -1.666 -5.657 -1.940 1.00 0.00 C ATOM 361 CD LYS A 22 -0.844 -6.638 -2.797 1.00 0.00 C ATOM 362 CE LYS A 22 -1.241 -8.073 -2.439 1.00 0.00 C ATOM 363 NZ LYS A 22 -0.485 -9.081 -3.209 1.00 0.00 N ATOM 0 H LYS A 22 -1.476 -3.093 -0.068 1.00 0.00 H new ATOM 0 HA LYS A 22 -2.265 -2.301 -2.578 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -1.485 -4.214 -3.512 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -0.465 -3.894 -2.123 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -1.368 -5.742 -0.895 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -2.723 -5.918 -1.992 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -1.022 -6.452 -3.856 1.00 0.00 H new ATOM 0 HD3 LYS A 22 0.221 -6.488 -2.622 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -1.076 -8.236 -1.374 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -2.307 -8.207 -2.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -0.792 -10.034 -2.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -0.661 -8.946 -4.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 0.531 -8.974 -3.017 1.00 0.00 H new ATOM 377 N ARG A 23 -4.624 -4.243 -1.194 1.00 0.00 N ATOM 378 CA ARG A 23 -6.043 -4.578 -1.377 1.00 0.00 C ATOM 379 C ARG A 23 -6.888 -3.321 -1.404 1.00 0.00 C ATOM 380 O ARG A 23 -7.653 -3.161 -2.345 1.00 0.00 O ATOM 381 CB ARG A 23 -6.604 -5.622 -0.388 1.00 0.00 C ATOM 382 CG ARG A 23 -6.620 -5.307 1.111 1.00 0.00 C ATOM 383 CD ARG A 23 -7.345 -6.369 1.950 1.00 0.00 C ATOM 384 NE ARG A 23 -8.811 -6.296 1.807 1.00 0.00 N ATOM 385 CZ ARG A 23 -9.719 -7.081 2.405 1.00 0.00 C ATOM 386 NH1 ARG A 23 -9.369 -8.049 3.249 1.00 0.00 N ATOM 387 NH2 ARG A 23 -11.002 -6.904 2.130 1.00 0.00 N ATOM 0 H ARG A 23 -4.222 -4.558 -0.311 1.00 0.00 H new ATOM 0 HA ARG A 23 -6.101 -5.073 -2.347 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -7.630 -5.838 -0.688 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -6.032 -6.540 -0.523 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -5.594 -5.213 1.466 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -7.101 -4.341 1.267 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -7.003 -7.360 1.651 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -7.079 -6.243 2.999 1.00 0.00 H new ATOM 0 HE ARG A 23 -9.173 -5.571 1.187 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -8.384 -8.212 3.458 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -10.086 -8.628 3.687 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -11.287 -6.179 1.472 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -11.705 -7.493 2.576 1.00 0.00 H new ATOM 401 N GLN A 24 -6.736 -2.426 -0.433 1.00 0.00 N ATOM 402 CA GLN A 24 -7.522 -1.221 -0.261 1.00 0.00 C ATOM 403 C GLN A 24 -7.637 -0.451 -1.572 1.00 0.00 C ATOM 404 O GLN A 24 -8.730 -0.087 -1.978 1.00 0.00 O ATOM 405 CB GLN A 24 -6.889 -0.355 0.831 1.00 0.00 C ATOM 406 CG GLN A 24 -7.311 -0.770 2.246 1.00 0.00 C ATOM 407 CD GLN A 24 -7.832 0.425 3.033 1.00 0.00 C ATOM 408 OE1 GLN A 24 -7.193 0.821 4.119 1.00 0.00 O flip ATOM 409 NE2 GLN A 24 -8.845 1.012 2.657 1.00 0.00 N flip ATOM 0 H GLN A 24 -6.023 -2.532 0.289 1.00 0.00 H new ATOM 0 HA GLN A 24 -8.532 -1.495 0.043 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -5.804 -0.414 0.750 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -7.165 0.687 0.666 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -8.083 -1.537 2.189 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -6.462 -1.211 2.768 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -9.333 0.700 1.817 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -9.197 1.811 3.185 1.00 0.00 H new ATOM 418 N LEU A 25 -6.535 -0.242 -2.288 1.00 0.00 N ATOM 419 CA LEU A 25 -6.562 0.407 -3.601 1.00 0.00 C ATOM 420 C LEU A 25 -7.532 -0.288 -4.563 1.00 0.00 C ATOM 421 O LEU A 25 -8.349 0.360 -5.221 1.00 0.00 O ATOM 422 CB LEU A 25 -5.119 0.415 -4.115 1.00 0.00 C ATOM 423 CG LEU A 25 -4.825 0.907 -5.537 1.00 0.00 C ATOM 424 CD1 LEU A 25 -5.112 -0.117 -6.644 1.00 0.00 C ATOM 425 CD2 LEU A 25 -5.522 2.236 -5.811 1.00 0.00 C ATOM 0 H LEU A 25 -5.602 -0.515 -1.979 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.937 1.428 -3.524 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.532 1.027 -3.430 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.739 -0.604 -4.037 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.746 1.058 -5.572 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.874 0.320 -7.614 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.500 -1.005 -6.486 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -6.166 -0.394 -6.619 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.297 2.562 -6.826 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -6.599 2.112 -5.700 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.169 2.985 -5.102 1.00 0.00 H new ATOM 437 N MET A 26 -7.409 -1.606 -4.677 1.00 0.00 N ATOM 438 CA MET A 26 -8.181 -2.436 -5.595 1.00 0.00 C ATOM 439 C MET A 26 -9.646 -2.596 -5.155 1.00 0.00 C ATOM 440 O MET A 26 -10.509 -2.898 -5.982 1.00 0.00 O ATOM 441 CB MET A 26 -7.487 -3.801 -5.707 1.00 0.00 C ATOM 442 CG MET A 26 -6.015 -3.679 -6.139 1.00 0.00 C ATOM 443 SD MET A 26 -5.067 -5.224 -6.225 1.00 0.00 S ATOM 444 CE MET A 26 -5.400 -5.687 -7.942 1.00 0.00 C ATOM 0 H MET A 26 -6.748 -2.143 -4.115 1.00 0.00 H new ATOM 0 HA MET A 26 -8.214 -1.946 -6.568 1.00 0.00 H new ATOM 0 HB2 MET A 26 -7.539 -4.312 -4.745 1.00 0.00 H new ATOM 0 HB3 MET A 26 -8.023 -4.420 -6.426 1.00 0.00 H new ATOM 0 HG2 MET A 26 -5.985 -3.205 -7.120 1.00 0.00 H new ATOM 0 HG3 MET A 26 -5.510 -3.007 -5.445 1.00 0.00 H new ATOM 0 HE1 MET A 26 -4.891 -6.623 -8.172 1.00 0.00 H new ATOM 0 HE2 MET A 26 -6.473 -5.814 -8.083 1.00 0.00 H new ATOM 0 HE3 MET A 26 -5.037 -4.903 -8.607 1.00 0.00 H new ATOM 454 N GLU A 27 -9.932 -2.362 -3.878 1.00 0.00 N ATOM 455 CA GLU A 27 -11.250 -2.453 -3.247 1.00 0.00 C ATOM 456 C GLU A 27 -11.970 -1.121 -3.380 1.00 0.00 C ATOM 457 O GLU A 27 -13.162 -1.032 -3.648 1.00 0.00 O ATOM 458 CB GLU A 27 -11.057 -2.736 -1.749 1.00 0.00 C ATOM 459 CG GLU A 27 -10.506 -4.139 -1.483 1.00 0.00 C ATOM 460 CD GLU A 27 -11.614 -5.163 -1.297 1.00 0.00 C ATOM 461 OE1 GLU A 27 -12.635 -5.109 -2.020 1.00 0.00 O ATOM 462 OE2 GLU A 27 -11.424 -6.083 -0.473 1.00 0.00 O ATOM 0 H GLU A 27 -9.208 -2.087 -3.214 1.00 0.00 H new ATOM 0 HA GLU A 27 -11.829 -3.243 -3.725 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -10.376 -1.996 -1.328 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -12.011 -2.621 -1.235 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -9.869 -4.442 -2.314 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -9.879 -4.119 -0.592 1.00 0.00 H new ATOM 469 N LEU A 28 -11.235 -0.032 -3.240 1.00 0.00 N ATOM 470 CA LEU A 28 -11.801 1.290 -3.350 1.00 0.00 C ATOM 471 C LEU A 28 -12.207 1.530 -4.810 1.00 0.00 C ATOM 472 O LEU A 28 -13.307 2.009 -5.081 1.00 0.00 O ATOM 473 CB LEU A 28 -10.797 2.282 -2.748 1.00 0.00 C ATOM 474 CG LEU A 28 -10.908 2.507 -1.219 1.00 0.00 C ATOM 475 CD1 LEU A 28 -11.313 1.294 -0.370 1.00 0.00 C ATOM 476 CD2 LEU A 28 -9.571 3.039 -0.684 1.00 0.00 C ATOM 0 H LEU A 28 -10.233 -0.044 -3.048 1.00 0.00 H new ATOM 0 HA LEU A 28 -12.721 1.424 -2.782 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -9.789 1.932 -2.973 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -10.920 3.243 -3.248 1.00 0.00 H new ATOM 0 HG LEU A 28 -11.728 3.218 -1.116 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -11.355 1.583 0.680 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -12.293 0.938 -0.688 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -10.579 0.498 -0.499 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -9.647 3.198 0.392 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -8.783 2.314 -0.889 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -9.333 3.983 -1.174 1.00 0.00 H new ATOM 488 N ARG A 29 -11.409 1.093 -5.792 1.00 0.00 N ATOM 489 CA ARG A 29 -11.852 1.169 -7.195 1.00 0.00 C ATOM 490 C ARG A 29 -13.095 0.309 -7.460 1.00 0.00 C ATOM 491 O ARG A 29 -13.812 0.569 -8.427 1.00 0.00 O ATOM 492 CB ARG A 29 -10.735 0.862 -8.205 1.00 0.00 C ATOM 493 CG ARG A 29 -10.236 -0.582 -8.163 1.00 0.00 C ATOM 494 CD ARG A 29 -9.335 -0.940 -9.355 1.00 0.00 C ATOM 495 NE ARG A 29 -10.064 -0.971 -10.643 1.00 0.00 N ATOM 496 CZ ARG A 29 -10.720 -2.013 -11.180 1.00 0.00 C ATOM 497 NH1 ARG A 29 -10.751 -3.193 -10.568 1.00 0.00 N ATOM 498 NH2 ARG A 29 -11.359 -1.862 -12.333 1.00 0.00 N ATOM 0 H ARG A 29 -10.481 0.694 -5.652 1.00 0.00 H new ATOM 0 HA ARG A 29 -12.131 2.211 -7.352 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -11.098 1.081 -9.209 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -9.895 1.531 -8.017 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -9.685 -0.743 -7.237 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -11.092 -1.256 -8.146 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -8.524 -0.215 -9.421 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -8.879 -1.914 -9.179 1.00 0.00 H new ATOM 0 HE ARG A 29 -10.069 -0.105 -11.182 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -10.272 -3.318 -9.676 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -11.254 -3.973 -10.990 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -11.350 -0.959 -12.806 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -11.859 -2.649 -12.746 1.00 0.00 H new ATOM 512 N PHE A 30 -13.353 -0.713 -6.640 1.00 0.00 N ATOM 513 CA PHE A 30 -14.582 -1.489 -6.690 1.00 0.00 C ATOM 514 C PHE A 30 -15.740 -0.659 -6.124 1.00 0.00 C ATOM 515 O PHE A 30 -16.785 -0.589 -6.767 1.00 0.00 O ATOM 516 CB PHE A 30 -14.359 -2.842 -5.988 1.00 0.00 C ATOM 517 CG PHE A 30 -15.571 -3.747 -5.855 1.00 0.00 C ATOM 518 CD1 PHE A 30 -16.288 -4.159 -6.995 1.00 0.00 C ATOM 519 CD2 PHE A 30 -15.953 -4.224 -4.584 1.00 0.00 C ATOM 520 CE1 PHE A 30 -17.389 -5.020 -6.862 1.00 0.00 C ATOM 521 CE2 PHE A 30 -17.062 -5.080 -4.452 1.00 0.00 C ATOM 522 CZ PHE A 30 -17.785 -5.472 -5.592 1.00 0.00 C ATOM 0 H PHE A 30 -12.704 -1.023 -5.917 1.00 0.00 H new ATOM 0 HA PHE A 30 -14.862 -1.724 -7.717 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -13.587 -3.385 -6.532 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -13.968 -2.647 -4.989 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -15.990 -3.812 -7.973 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -15.392 -3.931 -3.709 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -17.934 -5.336 -7.739 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -17.357 -5.435 -3.476 1.00 0.00 H new ATOM 0 HZ PHE A 30 -18.643 -6.120 -5.492 1.00 0.00 H new ATOM 532 N GLN A 31 -15.565 0.060 -5.005 1.00 0.00 N ATOM 533 CA GLN A 31 -16.613 0.802 -4.361 1.00 0.00 C ATOM 534 C GLN A 31 -17.012 1.969 -5.241 1.00 0.00 C ATOM 535 O GLN A 31 -18.183 2.313 -5.271 1.00 0.00 O ATOM 536 CB GLN A 31 -16.120 1.237 -2.973 1.00 0.00 C ATOM 537 CG GLN A 31 -16.111 0.065 -1.974 1.00 0.00 C ATOM 538 CD GLN A 31 -17.134 0.221 -0.845 1.00 0.00 C ATOM 539 OE1 GLN A 31 -17.109 1.203 -0.098 1.00 0.00 O ATOM 540 NE2 GLN A 31 -18.059 -0.716 -0.693 1.00 0.00 N ATOM 0 H GLN A 31 -14.666 0.131 -4.528 1.00 0.00 H new ATOM 0 HA GLN A 31 -17.506 0.193 -4.219 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -15.115 1.650 -3.058 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -16.760 2.033 -2.593 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -16.312 -0.862 -2.511 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -15.115 -0.027 -1.542 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -18.073 -1.525 -1.315 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -18.757 -0.628 0.046 1.00 0.00 H new ATOM 549 N LEU A 32 -16.091 2.585 -5.980 1.00 0.00 N ATOM 550 CA LEU A 32 -16.442 3.718 -6.825 1.00 0.00 C ATOM 551 C LEU A 32 -17.407 3.298 -7.914 1.00 0.00 C ATOM 552 O LEU A 32 -18.500 3.840 -8.044 1.00 0.00 O ATOM 553 CB LEU A 32 -15.175 4.299 -7.438 1.00 0.00 C ATOM 554 CG LEU A 32 -15.377 5.658 -8.111 1.00 0.00 C ATOM 555 CD1 LEU A 32 -16.198 5.679 -9.399 1.00 0.00 C ATOM 556 CD2 LEU A 32 -15.918 6.703 -7.114 1.00 0.00 C ATOM 0 H LEU A 32 -15.106 2.320 -6.009 1.00 0.00 H new ATOM 0 HA LEU A 32 -16.933 4.477 -6.215 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -14.420 4.400 -6.659 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -14.783 3.596 -8.173 1.00 0.00 H new ATOM 0 HG LEU A 32 -14.370 5.920 -8.435 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -16.264 6.701 -9.772 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -15.716 5.050 -10.148 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -17.200 5.300 -9.198 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -16.050 7.657 -7.623 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -16.876 6.367 -6.719 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -15.210 6.825 -6.294 1.00 0.00 H new ATOM 568 N ALA A 33 -16.975 2.287 -8.655 1.00 0.00 N ATOM 569 CA ALA A 33 -17.729 1.643 -9.713 1.00 0.00 C ATOM 570 C ALA A 33 -19.116 1.254 -9.207 1.00 0.00 C ATOM 571 O ALA A 33 -20.087 1.348 -9.961 1.00 0.00 O ATOM 572 CB ALA A 33 -16.955 0.413 -10.202 1.00 0.00 C ATOM 0 H ALA A 33 -16.049 1.878 -8.527 1.00 0.00 H new ATOM 0 HA ALA A 33 -17.860 2.332 -10.547 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -17.516 -0.077 -10.998 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -15.981 0.723 -10.582 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -16.817 -0.283 -9.374 1.00 0.00 H new ATOM 578 N MET A 34 -19.219 0.836 -7.944 1.00 0.00 N ATOM 579 CA MET A 34 -20.456 0.415 -7.327 1.00 0.00 C ATOM 580 C MET A 34 -21.254 1.577 -6.726 1.00 0.00 C ATOM 581 O MET A 34 -22.409 1.401 -6.340 1.00 0.00 O ATOM 582 CB MET A 34 -20.112 -0.642 -6.274 1.00 0.00 C ATOM 583 CG MET A 34 -19.878 -1.994 -6.945 1.00 0.00 C ATOM 584 SD MET A 34 -21.428 -2.730 -7.517 1.00 0.00 S ATOM 585 CE MET A 34 -20.765 -4.217 -8.278 1.00 0.00 C ATOM 0 H MET A 34 -18.418 0.784 -7.315 1.00 0.00 H new ATOM 0 HA MET A 34 -21.111 -0.005 -8.090 1.00 0.00 H new ATOM 0 HB2 MET A 34 -19.221 -0.341 -5.723 1.00 0.00 H new ATOM 0 HB3 MET A 34 -20.922 -0.722 -5.550 1.00 0.00 H new ATOM 0 HG2 MET A 34 -19.200 -1.869 -7.790 1.00 0.00 H new ATOM 0 HG3 MET A 34 -19.391 -2.670 -6.242 1.00 0.00 H new ATOM 0 HE1 MET A 34 -21.581 -4.808 -8.693 1.00 0.00 H new ATOM 0 HE2 MET A 34 -20.075 -3.941 -9.075 1.00 0.00 H new ATOM 0 HE3 MET A 34 -20.236 -4.805 -7.528 1.00 0.00 H new ATOM 595 N GLY A 35 -20.663 2.764 -6.621 1.00 0.00 N ATOM 596 CA GLY A 35 -21.266 3.982 -6.128 1.00 0.00 C ATOM 597 C GLY A 35 -21.315 3.976 -4.613 1.00 0.00 C ATOM 598 O GLY A 35 -22.343 4.283 -4.015 1.00 0.00 O ATOM 0 H GLY A 35 -19.691 2.901 -6.897 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -20.696 4.843 -6.476 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -22.274 4.084 -6.530 1.00 0.00 H new ATOM 602 N GLN A 36 -20.205 3.583 -3.992 1.00 0.00 N ATOM 603 CA GLN A 36 -20.066 3.374 -2.565 1.00 0.00 C ATOM 604 C GLN A 36 -18.869 4.168 -2.036 1.00 0.00 C ATOM 605 O GLN A 36 -18.749 4.417 -0.839 1.00 0.00 O ATOM 606 CB GLN A 36 -19.850 1.876 -2.304 1.00 0.00 C ATOM 607 CG GLN A 36 -20.766 0.941 -3.097 1.00 0.00 C ATOM 608 CD GLN A 36 -22.238 1.015 -2.691 1.00 0.00 C ATOM 609 OE1 GLN A 36 -22.550 1.119 -1.507 1.00 0.00 O ATOM 610 NE2 GLN A 36 -23.167 0.898 -3.625 1.00 0.00 N ATOM 0 H GLN A 36 -19.341 3.395 -4.500 1.00 0.00 H new ATOM 0 HA GLN A 36 -20.967 3.714 -2.054 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -18.814 1.628 -2.536 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -19.993 1.684 -1.241 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -20.680 1.180 -4.157 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -20.417 -0.084 -2.972 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -22.897 0.812 -4.605 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -24.153 0.894 -3.365 1.00 0.00 H new ATOM 619 N LEU A 37 -17.940 4.511 -2.931 1.00 0.00 N ATOM 620 CA LEU A 37 -16.742 5.278 -2.616 1.00 0.00 C ATOM 621 C LEU A 37 -17.014 6.769 -2.402 1.00 0.00 C ATOM 622 O LEU A 37 -17.335 7.484 -3.354 1.00 0.00 O ATOM 623 CB LEU A 37 -15.658 5.034 -3.652 1.00 0.00 C ATOM 624 CG LEU A 37 -14.286 5.466 -3.116 1.00 0.00 C ATOM 625 CD1 LEU A 37 -13.218 4.614 -3.761 1.00 0.00 C ATOM 626 CD2 LEU A 37 -13.932 6.941 -3.336 1.00 0.00 C ATOM 0 H LEU A 37 -18.005 4.255 -3.916 1.00 0.00 H new ATOM 0 HA LEU A 37 -16.379 4.914 -1.655 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -15.634 3.977 -3.918 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -15.888 5.586 -4.563 1.00 0.00 H new ATOM 0 HG LEU A 37 -14.338 5.329 -2.036 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -12.239 4.913 -3.387 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -13.394 3.566 -3.520 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -13.250 4.748 -4.842 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -12.944 7.144 -2.922 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -13.929 7.159 -4.404 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -14.670 7.570 -2.839 1.00 0.00 H new ATOM 638 N LYS A 38 -16.824 7.257 -1.172 1.00 0.00 N ATOM 639 CA LYS A 38 -16.970 8.667 -0.813 1.00 0.00 C ATOM 640 C LYS A 38 -15.792 9.509 -1.331 1.00 0.00 C ATOM 641 O LYS A 38 -14.900 9.875 -0.563 1.00 0.00 O ATOM 642 CB LYS A 38 -17.218 8.795 0.710 1.00 0.00 C ATOM 643 CG LYS A 38 -18.203 9.925 1.053 1.00 0.00 C ATOM 644 CD LYS A 38 -17.677 11.370 0.998 1.00 0.00 C ATOM 645 CE LYS A 38 -16.819 11.691 2.229 1.00 0.00 C ATOM 646 NZ LYS A 38 -16.673 13.147 2.459 1.00 0.00 N ATOM 0 H LYS A 38 -16.559 6.668 -0.383 1.00 0.00 H new ATOM 0 HA LYS A 38 -17.846 9.082 -1.311 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -17.606 7.851 1.092 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -16.270 8.978 1.215 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -19.051 9.850 0.372 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -18.585 9.744 2.058 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -17.087 11.512 0.092 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -18.516 12.064 0.944 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -17.268 11.231 3.110 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -15.832 11.246 2.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -16.085 13.308 3.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -16.220 13.585 1.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -17.611 13.571 2.605 1.00 0.00 H new ATOM 660 N ASN A 39 -15.837 9.864 -2.619 1.00 0.00 N ATOM 661 CA ASN A 39 -14.963 10.789 -3.351 1.00 0.00 C ATOM 662 C ASN A 39 -13.517 10.302 -3.575 1.00 0.00 C ATOM 663 O ASN A 39 -12.732 10.080 -2.655 1.00 0.00 O ATOM 664 CB ASN A 39 -14.992 12.189 -2.729 1.00 0.00 C ATOM 665 CG ASN A 39 -14.263 13.178 -3.623 1.00 0.00 C ATOM 666 OD1 ASN A 39 -13.034 13.223 -3.640 1.00 0.00 O ATOM 667 ND2 ASN A 39 -14.989 13.968 -4.390 1.00 0.00 N ATOM 0 H ASN A 39 -16.552 9.475 -3.233 1.00 0.00 H new ATOM 0 HA ASN A 39 -15.390 10.831 -4.353 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -16.024 12.510 -2.586 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -14.526 12.167 -1.744 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -14.532 14.633 -5.014 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -16.007 13.913 -4.359 1.00 0.00 H new ATOM 674 N THR A 40 -13.144 10.176 -4.848 1.00 0.00 N ATOM 675 CA THR A 40 -11.903 9.598 -5.373 1.00 0.00 C ATOM 676 C THR A 40 -10.609 10.367 -5.037 1.00 0.00 C ATOM 677 O THR A 40 -9.521 9.859 -5.338 1.00 0.00 O ATOM 678 CB THR A 40 -12.116 9.475 -6.892 1.00 0.00 C ATOM 679 OG1 THR A 40 -13.308 8.743 -7.116 1.00 0.00 O ATOM 680 CG2 THR A 40 -11.012 8.843 -7.742 1.00 0.00 C ATOM 0 H THR A 40 -13.750 10.501 -5.601 1.00 0.00 H new ATOM 0 HA THR A 40 -11.731 8.638 -4.887 1.00 0.00 H new ATOM 0 HB THR A 40 -12.139 10.512 -7.226 1.00 0.00 H new ATOM 0 HG1 THR A 40 -13.462 8.655 -8.080 1.00 0.00 H new ATOM 0 HG21 THR A 40 -11.319 8.832 -8.788 1.00 0.00 H new ATOM 0 HG22 THR A 40 -10.096 9.424 -7.639 1.00 0.00 H new ATOM 0 HG23 THR A 40 -10.834 7.822 -7.406 1.00 0.00 H new ATOM 688 N SER A 41 -10.643 11.538 -4.387 1.00 0.00 N ATOM 689 CA SER A 41 -9.420 12.069 -3.779 1.00 0.00 C ATOM 690 C SER A 41 -8.830 11.069 -2.785 1.00 0.00 C ATOM 691 O SER A 41 -7.606 10.925 -2.733 1.00 0.00 O ATOM 692 CB SER A 41 -9.654 13.427 -3.111 1.00 0.00 C ATOM 693 OG SER A 41 -9.256 14.459 -3.995 1.00 0.00 O ATOM 0 H SER A 41 -11.474 12.118 -4.271 1.00 0.00 H new ATOM 0 HA SER A 41 -8.700 12.224 -4.583 1.00 0.00 H new ATOM 0 HB2 SER A 41 -10.707 13.541 -2.851 1.00 0.00 H new ATOM 0 HB3 SER A 41 -9.088 13.490 -2.182 1.00 0.00 H new ATOM 0 HG SER A 41 -9.406 15.329 -3.571 1.00 0.00 H new ATOM 699 N LEU A 42 -9.673 10.331 -2.053 1.00 0.00 N ATOM 700 CA LEU A 42 -9.159 9.341 -1.117 1.00 0.00 C ATOM 701 C LEU A 42 -8.470 8.224 -1.896 1.00 0.00 C ATOM 702 O LEU A 42 -7.376 7.832 -1.505 1.00 0.00 O ATOM 703 CB LEU A 42 -10.264 8.862 -0.164 1.00 0.00 C ATOM 704 CG LEU A 42 -9.722 8.196 1.121 1.00 0.00 C ATOM 705 CD1 LEU A 42 -10.681 8.448 2.289 1.00 0.00 C ATOM 706 CD2 LEU A 42 -9.509 6.683 1.019 1.00 0.00 C ATOM 0 H LEU A 42 -10.690 10.402 -2.092 1.00 0.00 H new ATOM 0 HA LEU A 42 -8.403 9.784 -0.469 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -10.889 9.712 0.112 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -10.904 8.153 -0.689 1.00 0.00 H new ATOM 0 HG LEU A 42 -8.746 8.654 1.279 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -10.290 7.975 3.190 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -10.777 9.521 2.456 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -11.659 8.028 2.054 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -9.127 6.305 1.967 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -10.457 6.197 0.789 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -8.791 6.469 0.228 1.00 0.00 H new ATOM 718 N ILE A 43 -8.999 7.795 -3.053 1.00 0.00 N ATOM 719 CA ILE A 43 -8.324 6.843 -3.937 1.00 0.00 C ATOM 720 C ILE A 43 -6.932 7.374 -4.279 1.00 0.00 C ATOM 721 O ILE A 43 -5.957 6.675 -4.009 1.00 0.00 O ATOM 722 CB ILE A 43 -9.199 6.443 -5.167 1.00 0.00 C ATOM 723 CG1 ILE A 43 -9.705 4.990 -4.986 1.00 0.00 C ATOM 724 CG2 ILE A 43 -8.527 6.563 -6.546 1.00 0.00 C ATOM 725 CD1 ILE A 43 -8.702 3.840 -5.198 1.00 0.00 C ATOM 0 H ILE A 43 -9.908 8.102 -3.399 1.00 0.00 H new ATOM 0 HA ILE A 43 -8.183 5.896 -3.416 1.00 0.00 H new ATOM 0 HB ILE A 43 -10.009 7.172 -5.177 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -10.107 4.900 -3.977 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -10.536 4.838 -5.674 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -9.230 6.259 -7.321 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -8.226 7.597 -6.715 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -7.648 5.919 -6.580 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -9.203 2.886 -5.036 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -8.314 3.878 -6.216 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -7.878 3.941 -4.492 1.00 0.00 H new ATOM 737 N LYS A 44 -6.789 8.592 -4.818 1.00 0.00 N ATOM 738 CA LYS A 44 -5.503 9.189 -5.156 1.00 0.00 C ATOM 739 C LYS A 44 -4.552 9.143 -3.963 1.00 0.00 C ATOM 740 O LYS A 44 -3.381 8.776 -4.111 1.00 0.00 O ATOM 741 CB LYS A 44 -5.759 10.625 -5.670 1.00 0.00 C ATOM 742 CG LYS A 44 -4.605 11.627 -5.487 1.00 0.00 C ATOM 743 CD LYS A 44 -3.324 11.157 -6.182 1.00 0.00 C ATOM 744 CE LYS A 44 -2.103 11.355 -5.269 1.00 0.00 C ATOM 745 NZ LYS A 44 -0.860 10.861 -5.903 1.00 0.00 N ATOM 0 H LYS A 44 -7.582 9.196 -5.033 1.00 0.00 H new ATOM 0 HA LYS A 44 -5.010 8.622 -5.946 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -6.001 10.571 -6.731 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -6.639 11.019 -5.162 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.900 12.597 -5.887 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.411 11.766 -4.424 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -3.416 10.105 -6.451 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -3.184 11.712 -7.110 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -1.994 12.413 -5.031 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -2.264 10.831 -4.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -0.058 11.011 -5.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -0.954 9.846 -6.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -0.693 11.379 -6.789 1.00 0.00 H new ATOM 759 N LEU A 45 -5.026 9.495 -2.775 1.00 0.00 N ATOM 760 CA LEU A 45 -4.197 9.584 -1.609 1.00 0.00 C ATOM 761 C LEU A 45 -3.885 8.182 -1.083 1.00 0.00 C ATOM 762 O LEU A 45 -2.966 8.022 -0.281 1.00 0.00 O ATOM 763 CB LEU A 45 -4.950 10.411 -0.596 1.00 0.00 C ATOM 764 CG LEU A 45 -4.787 11.928 -0.811 1.00 0.00 C ATOM 765 CD1 LEU A 45 -5.512 12.585 0.344 1.00 0.00 C ATOM 766 CD2 LEU A 45 -3.336 12.453 -0.817 1.00 0.00 C ATOM 0 H LEU A 45 -6.005 9.726 -2.606 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.240 10.056 -1.830 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -6.009 10.155 -0.642 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.603 10.153 0.405 1.00 0.00 H new ATOM 0 HG LEU A 45 -5.179 12.160 -1.801 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.435 13.668 0.253 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -6.562 12.293 0.328 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.061 12.267 1.284 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.340 13.531 -0.976 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -2.864 12.229 0.140 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.778 11.970 -1.619 1.00 0.00 H new ATOM 778 N THR A 46 -4.590 7.166 -1.572 1.00 0.00 N ATOM 779 CA THR A 46 -4.375 5.775 -1.263 1.00 0.00 C ATOM 780 C THR A 46 -3.338 5.215 -2.245 1.00 0.00 C ATOM 781 O THR A 46 -2.325 4.721 -1.769 1.00 0.00 O ATOM 782 CB THR A 46 -5.753 5.089 -1.200 1.00 0.00 C ATOM 783 OG1 THR A 46 -6.482 5.747 -0.187 1.00 0.00 O ATOM 784 CG2 THR A 46 -5.744 3.613 -0.844 1.00 0.00 C ATOM 0 H THR A 46 -5.361 7.308 -2.225 1.00 0.00 H new ATOM 0 HA THR A 46 -3.933 5.589 -0.284 1.00 0.00 H new ATOM 0 HB THR A 46 -6.175 5.155 -2.203 1.00 0.00 H new ATOM 0 HG1 THR A 46 -6.826 6.597 -0.531 1.00 0.00 H new ATOM 0 HG21 THR A 46 -6.767 3.236 -0.829 1.00 0.00 H new ATOM 0 HG22 THR A 46 -5.165 3.063 -1.586 1.00 0.00 H new ATOM 0 HG23 THR A 46 -5.293 3.479 0.139 1.00 0.00 H new ATOM 792 N LYS A 47 -3.452 5.362 -3.579 1.00 0.00 N ATOM 793 CA LYS A 47 -2.369 4.925 -4.502 1.00 0.00 C ATOM 794 C LYS A 47 -0.996 5.505 -4.203 1.00 0.00 C ATOM 795 O LYS A 47 -0.032 4.755 -4.340 1.00 0.00 O ATOM 796 CB LYS A 47 -2.641 4.880 -6.008 1.00 0.00 C ATOM 797 CG LYS A 47 -3.480 6.037 -6.431 1.00 0.00 C ATOM 798 CD LYS A 47 -4.949 5.641 -6.530 1.00 0.00 C ATOM 799 CE LYS A 47 -5.345 5.009 -7.870 1.00 0.00 C ATOM 800 NZ LYS A 47 -5.458 6.005 -8.954 1.00 0.00 N ATOM 0 H LYS A 47 -4.264 5.771 -4.042 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.366 3.870 -4.229 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.697 4.892 -6.553 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.145 3.948 -6.263 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.367 6.853 -5.717 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.134 6.408 -7.396 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.178 4.938 -5.729 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -5.563 6.526 -6.364 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -4.605 4.258 -8.147 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -6.297 4.491 -7.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -5.728 5.527 -9.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -6.183 6.708 -8.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -4.543 6.482 -9.084 1.00 0.00 H new ATOM 814 N ARG A 48 -0.904 6.744 -3.702 1.00 0.00 N ATOM 815 CA ARG A 48 0.386 7.314 -3.289 1.00 0.00 C ATOM 816 C ARG A 48 1.090 6.363 -2.335 1.00 0.00 C ATOM 817 O ARG A 48 2.282 6.085 -2.470 1.00 0.00 O ATOM 818 CB ARG A 48 0.171 8.730 -2.687 1.00 0.00 C ATOM 819 CG ARG A 48 0.056 8.797 -1.147 1.00 0.00 C ATOM 820 CD ARG A 48 -0.432 10.092 -0.479 1.00 0.00 C ATOM 821 NE ARG A 48 0.065 10.168 0.913 1.00 0.00 N ATOM 822 CZ ARG A 48 -0.198 9.314 1.920 1.00 0.00 C ATOM 823 NH1 ARG A 48 -1.183 8.426 1.849 1.00 0.00 N ATOM 824 NH2 ARG A 48 0.569 9.360 2.997 1.00 0.00 N ATOM 0 H ARG A 48 -1.701 7.367 -3.573 1.00 0.00 H new ATOM 0 HA ARG A 48 1.038 7.434 -4.154 1.00 0.00 H new ATOM 0 HB2 ARG A 48 1.000 9.366 -2.998 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -0.736 9.154 -3.119 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -0.614 7.996 -0.835 1.00 0.00 H new ATOM 0 HG3 ARG A 48 1.039 8.568 -0.736 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -0.083 10.956 -1.045 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -1.521 10.125 -0.486 1.00 0.00 H new ATOM 0 HE ARG A 48 0.675 10.955 1.134 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -1.766 8.377 1.014 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -1.356 7.793 2.630 1.00 0.00 H new ATOM 0 HH21 ARG A 48 1.336 10.030 3.049 1.00 0.00 H new ATOM 0 HH22 ARG A 48 0.393 8.725 3.776 1.00 0.00 H new ATOM 838 N ASP A 49 0.311 5.875 -1.380 1.00 0.00 N ATOM 839 CA ASP A 49 0.727 5.047 -0.282 1.00 0.00 C ATOM 840 C ASP A 49 0.865 3.648 -0.806 1.00 0.00 C ATOM 841 O ASP A 49 1.853 3.010 -0.508 1.00 0.00 O ATOM 842 CB ASP A 49 -0.343 5.054 0.812 1.00 0.00 C ATOM 843 CG ASP A 49 0.091 5.675 2.136 1.00 0.00 C ATOM 844 OD1 ASP A 49 1.299 5.923 2.343 1.00 0.00 O ATOM 845 OD2 ASP A 49 -0.826 5.869 2.961 1.00 0.00 O ATOM 0 H ASP A 49 -0.691 6.065 -1.360 1.00 0.00 H new ATOM 0 HA ASP A 49 1.665 5.415 0.135 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -1.215 5.595 0.443 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -0.659 4.027 0.996 1.00 0.00 H new ATOM 850 N ILE A 50 -0.073 3.148 -1.611 1.00 0.00 N ATOM 851 CA ILE A 50 0.033 1.789 -2.125 1.00 0.00 C ATOM 852 C ILE A 50 1.344 1.684 -2.856 1.00 0.00 C ATOM 853 O ILE A 50 2.119 0.803 -2.544 1.00 0.00 O ATOM 854 CB ILE A 50 -1.177 1.342 -2.975 1.00 0.00 C ATOM 855 CG1 ILE A 50 -2.197 0.729 -2.019 1.00 0.00 C ATOM 856 CG2 ILE A 50 -0.888 0.272 -4.047 1.00 0.00 C ATOM 857 CD1 ILE A 50 -2.997 1.762 -1.233 1.00 0.00 C ATOM 0 H ILE A 50 -0.902 3.658 -1.916 1.00 0.00 H new ATOM 0 HA ILE A 50 0.014 1.088 -1.290 1.00 0.00 H new ATOM 0 HB ILE A 50 -1.511 2.233 -3.507 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -2.886 0.105 -2.588 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -1.678 0.074 -1.319 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -1.808 0.035 -4.582 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -0.147 0.652 -4.750 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -0.505 -0.629 -3.568 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -3.701 1.253 -0.575 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -2.318 2.371 -0.636 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -3.545 2.402 -1.925 1.00 0.00 H new ATOM 869 N ALA A 51 1.661 2.597 -3.757 1.00 0.00 N ATOM 870 CA ALA A 51 2.890 2.496 -4.502 1.00 0.00 C ATOM 871 C ALA A 51 4.130 2.844 -3.660 1.00 0.00 C ATOM 872 O ALA A 51 5.251 2.705 -4.143 1.00 0.00 O ATOM 873 CB ALA A 51 2.728 3.389 -5.727 1.00 0.00 C ATOM 0 H ALA A 51 1.086 3.408 -3.985 1.00 0.00 H new ATOM 0 HA ALA A 51 3.069 1.465 -4.807 1.00 0.00 H new ATOM 0 HB1 ALA A 51 3.636 3.349 -6.329 1.00 0.00 H new ATOM 0 HB2 ALA A 51 1.883 3.042 -6.321 1.00 0.00 H new ATOM 0 HB3 ALA A 51 2.550 4.416 -5.408 1.00 0.00 H new ATOM 879 N ARG A 52 3.963 3.269 -2.404 1.00 0.00 N ATOM 880 CA ARG A 52 5.017 3.326 -1.386 1.00 0.00 C ATOM 881 C ARG A 52 5.088 2.004 -0.605 1.00 0.00 C ATOM 882 O ARG A 52 6.079 1.287 -0.723 1.00 0.00 O ATOM 883 CB ARG A 52 4.758 4.579 -0.519 1.00 0.00 C ATOM 884 CG ARG A 52 5.900 5.073 0.374 1.00 0.00 C ATOM 885 CD ARG A 52 6.100 4.210 1.624 1.00 0.00 C ATOM 886 NE ARG A 52 6.693 4.971 2.742 1.00 0.00 N ATOM 887 CZ ARG A 52 7.921 5.501 2.821 1.00 0.00 C ATOM 888 NH1 ARG A 52 8.738 5.495 1.775 1.00 0.00 N ATOM 889 NH2 ARG A 52 8.324 6.032 3.964 1.00 0.00 N ATOM 0 H ARG A 52 3.061 3.594 -2.056 1.00 0.00 H new ATOM 0 HA ARG A 52 6.008 3.430 -1.828 1.00 0.00 H new ATOM 0 HB2 ARG A 52 4.475 5.395 -1.184 1.00 0.00 H new ATOM 0 HB3 ARG A 52 3.898 4.374 0.118 1.00 0.00 H new ATOM 0 HG2 ARG A 52 6.825 5.087 -0.203 1.00 0.00 H new ATOM 0 HG3 ARG A 52 5.698 6.100 0.677 1.00 0.00 H new ATOM 0 HD2 ARG A 52 5.140 3.799 1.936 1.00 0.00 H new ATOM 0 HD3 ARG A 52 6.744 3.365 1.380 1.00 0.00 H new ATOM 0 HE ARG A 52 6.093 5.110 3.555 1.00 0.00 H new ATOM 0 HH11 ARG A 52 8.434 5.082 0.893 1.00 0.00 H new ATOM 0 HH12 ARG A 52 9.670 5.903 1.853 1.00 0.00 H new ATOM 0 HH21 ARG A 52 7.702 6.035 4.772 1.00 0.00 H new ATOM 0 HH22 ARG A 52 9.257 6.439 4.037 1.00 0.00 H new ATOM 903 N ILE A 53 4.055 1.633 0.156 1.00 0.00 N ATOM 904 CA ILE A 53 3.959 0.406 0.932 1.00 0.00 C ATOM 905 C ILE A 53 4.150 -0.803 0.033 1.00 0.00 C ATOM 906 O ILE A 53 5.037 -1.611 0.289 1.00 0.00 O ATOM 907 CB ILE A 53 2.632 0.374 1.733 1.00 0.00 C ATOM 908 CG1 ILE A 53 2.514 1.453 2.835 1.00 0.00 C ATOM 909 CG2 ILE A 53 2.527 -0.945 2.491 1.00 0.00 C ATOM 910 CD1 ILE A 53 1.790 2.724 2.437 1.00 0.00 C ATOM 0 H ILE A 53 3.222 2.215 0.248 1.00 0.00 H new ATOM 0 HA ILE A 53 4.762 0.374 1.668 1.00 0.00 H new ATOM 0 HB ILE A 53 1.860 0.533 0.980 1.00 0.00 H new ATOM 0 HG12 ILE A 53 1.999 1.017 3.691 1.00 0.00 H new ATOM 0 HG13 ILE A 53 3.518 1.718 3.167 1.00 0.00 H new ATOM 0 HG21 ILE A 53 1.594 -0.968 3.054 1.00 0.00 H new ATOM 0 HG22 ILE A 53 2.544 -1.774 1.783 1.00 0.00 H new ATOM 0 HG23 ILE A 53 3.368 -1.038 3.178 1.00 0.00 H new ATOM 0 HD11 ILE A 53 1.766 3.409 3.284 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.312 3.195 1.604 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.770 2.483 2.136 1.00 0.00 H new ATOM 922 N LYS A 54 3.338 -0.964 -1.005 1.00 0.00 N ATOM 923 CA LYS A 54 3.400 -2.146 -1.842 1.00 0.00 C ATOM 924 C LYS A 54 4.804 -2.301 -2.418 1.00 0.00 C ATOM 925 O LYS A 54 5.279 -3.429 -2.516 1.00 0.00 O ATOM 926 CB LYS A 54 2.277 -2.155 -2.925 1.00 0.00 C ATOM 927 CG LYS A 54 2.640 -1.475 -4.266 1.00 0.00 C ATOM 928 CD LYS A 54 3.358 -2.399 -5.264 1.00 0.00 C ATOM 929 CE LYS A 54 3.043 -1.922 -6.684 1.00 0.00 C ATOM 930 NZ LYS A 54 3.786 -2.674 -7.715 1.00 0.00 N ATOM 0 H LYS A 54 2.629 -0.286 -1.284 1.00 0.00 H new ATOM 0 HA LYS A 54 3.204 -3.025 -1.228 1.00 0.00 H new ATOM 0 HB2 LYS A 54 1.998 -3.189 -3.126 1.00 0.00 H new ATOM 0 HB3 LYS A 54 1.396 -1.662 -2.514 1.00 0.00 H new ATOM 0 HG2 LYS A 54 1.728 -1.097 -4.728 1.00 0.00 H new ATOM 0 HG3 LYS A 54 3.275 -0.613 -4.064 1.00 0.00 H new ATOM 0 HD2 LYS A 54 4.434 -2.382 -5.089 1.00 0.00 H new ATOM 0 HD3 LYS A 54 3.029 -3.430 -5.129 1.00 0.00 H new ATOM 0 HE2 LYS A 54 1.973 -2.022 -6.868 1.00 0.00 H new ATOM 0 HE3 LYS A 54 3.284 -0.862 -6.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.536 -2.311 -8.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 4.808 -2.559 -7.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 3.538 -3.682 -7.655 1.00 0.00 H new ATOM 944 N THR A 55 5.469 -1.193 -2.753 1.00 0.00 N ATOM 945 CA THR A 55 6.816 -1.233 -3.269 1.00 0.00 C ATOM 946 C THR A 55 7.785 -1.787 -2.232 1.00 0.00 C ATOM 947 O THR A 55 8.641 -2.552 -2.634 1.00 0.00 O ATOM 948 CB THR A 55 7.172 0.153 -3.806 1.00 0.00 C ATOM 949 OG1 THR A 55 6.505 0.282 -5.045 1.00 0.00 O ATOM 950 CG2 THR A 55 8.664 0.403 -4.003 1.00 0.00 C ATOM 0 H THR A 55 5.081 -0.253 -2.670 1.00 0.00 H new ATOM 0 HA THR A 55 6.895 -1.928 -4.105 1.00 0.00 H new ATOM 0 HB THR A 55 6.863 0.890 -3.065 1.00 0.00 H new ATOM 0 HG1 THR A 55 5.949 1.089 -5.035 1.00 0.00 H new ATOM 0 HG21 THR A 55 8.816 1.412 -4.386 1.00 0.00 H new ATOM 0 HG22 THR A 55 9.180 0.296 -3.049 1.00 0.00 H new ATOM 0 HG23 THR A 55 9.063 -0.320 -4.715 1.00 0.00 H new ATOM 958 N ILE A 56 7.658 -1.509 -0.933 1.00 0.00 N ATOM 959 CA ILE A 56 8.563 -2.092 0.067 1.00 0.00 C ATOM 960 C ILE A 56 8.555 -3.613 0.005 1.00 0.00 C ATOM 961 O ILE A 56 9.623 -4.223 0.046 1.00 0.00 O ATOM 962 CB ILE A 56 8.217 -1.580 1.483 1.00 0.00 C ATOM 963 CG1 ILE A 56 8.676 -0.116 1.619 1.00 0.00 C ATOM 964 CG2 ILE A 56 8.741 -2.472 2.629 1.00 0.00 C ATOM 965 CD1 ILE A 56 10.122 0.068 2.091 1.00 0.00 C ATOM 0 H ILE A 56 6.945 -0.890 -0.548 1.00 0.00 H new ATOM 0 HA ILE A 56 9.577 -1.767 -0.167 1.00 0.00 H new ATOM 0 HB ILE A 56 7.134 -1.632 1.591 1.00 0.00 H new ATOM 0 HG12 ILE A 56 8.559 0.377 0.654 1.00 0.00 H new ATOM 0 HG13 ILE A 56 8.014 0.393 2.319 1.00 0.00 H new ATOM 0 HG21 ILE A 56 8.454 -2.039 3.587 1.00 0.00 H new ATOM 0 HG22 ILE A 56 8.312 -3.470 2.538 1.00 0.00 H new ATOM 0 HG23 ILE A 56 9.828 -2.537 2.571 1.00 0.00 H new ATOM 0 HD11 ILE A 56 10.351 1.132 2.156 1.00 0.00 H new ATOM 0 HD12 ILE A 56 10.245 -0.390 3.072 1.00 0.00 H new ATOM 0 HD13 ILE A 56 10.800 -0.407 1.381 1.00 0.00 H new ATOM 977 N LEU A 57 7.363 -4.199 -0.096 1.00 0.00 N ATOM 978 CA LEU A 57 7.195 -5.633 -0.275 1.00 0.00 C ATOM 979 C LEU A 57 7.895 -6.025 -1.577 1.00 0.00 C ATOM 980 O LEU A 57 8.827 -6.816 -1.584 1.00 0.00 O ATOM 981 CB LEU A 57 5.703 -5.992 -0.182 1.00 0.00 C ATOM 982 CG LEU A 57 5.368 -7.495 -0.235 1.00 0.00 C ATOM 983 CD1 LEU A 57 6.511 -8.434 0.133 1.00 0.00 C ATOM 984 CD2 LEU A 57 4.149 -7.821 0.646 1.00 0.00 C ATOM 0 H LEU A 57 6.483 -3.685 -0.055 1.00 0.00 H new ATOM 0 HA LEU A 57 7.665 -6.219 0.515 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.308 -5.584 0.749 1.00 0.00 H new ATOM 0 HB3 LEU A 57 5.178 -5.493 -0.997 1.00 0.00 H new ATOM 0 HG LEU A 57 5.151 -7.678 -1.287 1.00 0.00 H new ATOM 0 HD11 LEU A 57 6.170 -9.467 0.064 1.00 0.00 H new ATOM 0 HD12 LEU A 57 7.344 -8.280 -0.553 1.00 0.00 H new ATOM 0 HD13 LEU A 57 6.838 -8.227 1.152 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.935 -8.888 0.590 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.363 -7.548 1.679 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.285 -7.258 0.294 1.00 0.00 H new ATOM 996 N ARG A 58 7.524 -5.385 -2.676 1.00 0.00 N ATOM 997 CA ARG A 58 8.051 -5.622 -4.021 1.00 0.00 C ATOM 998 C ARG A 58 9.580 -5.625 -4.049 1.00 0.00 C ATOM 999 O ARG A 58 10.155 -6.602 -4.495 1.00 0.00 O ATOM 1000 CB ARG A 58 7.450 -4.596 -4.991 1.00 0.00 C ATOM 1001 CG ARG A 58 6.920 -5.219 -6.291 1.00 0.00 C ATOM 1002 CD ARG A 58 7.944 -6.080 -7.038 1.00 0.00 C ATOM 1003 NE ARG A 58 7.562 -6.346 -8.438 1.00 0.00 N ATOM 1004 CZ ARG A 58 7.502 -5.496 -9.474 1.00 0.00 C ATOM 1005 NH1 ARG A 58 7.962 -4.256 -9.350 1.00 0.00 N ATOM 1006 NH2 ARG A 58 6.966 -5.893 -10.625 1.00 0.00 N ATOM 0 H ARG A 58 6.815 -4.652 -2.659 1.00 0.00 H new ATOM 0 HA ARG A 58 7.752 -6.619 -4.344 1.00 0.00 H new ATOM 0 HB2 ARG A 58 6.637 -4.069 -4.492 1.00 0.00 H new ATOM 0 HB3 ARG A 58 8.208 -3.852 -5.237 1.00 0.00 H new ATOM 0 HG2 ARG A 58 6.048 -5.831 -6.058 1.00 0.00 H new ATOM 0 HG3 ARG A 58 6.582 -4.421 -6.952 1.00 0.00 H new ATOM 0 HD2 ARG A 58 8.913 -5.580 -7.020 1.00 0.00 H new ATOM 0 HD3 ARG A 58 8.065 -7.028 -6.514 1.00 0.00 H new ATOM 0 HE ARG A 58 7.308 -7.311 -8.647 1.00 0.00 H new ATOM 0 HH11 ARG A 58 8.363 -3.947 -8.464 1.00 0.00 H new ATOM 0 HH12 ARG A 58 7.914 -3.613 -10.140 1.00 0.00 H new ATOM 0 HH21 ARG A 58 6.602 -6.841 -10.718 1.00 0.00 H new ATOM 0 HH22 ARG A 58 6.919 -5.249 -11.415 1.00 0.00 H new ATOM 1020 N GLU A 59 10.240 -4.583 -3.542 1.00 0.00 N ATOM 1021 CA GLU A 59 11.696 -4.455 -3.353 1.00 0.00 C ATOM 1022 C GLU A 59 12.228 -5.730 -2.674 1.00 0.00 C ATOM 1023 O GLU A 59 13.149 -6.362 -3.183 1.00 0.00 O ATOM 1024 CB GLU A 59 11.985 -3.196 -2.501 1.00 0.00 C ATOM 1025 CG GLU A 59 11.494 -1.856 -3.071 1.00 0.00 C ATOM 1026 CD GLU A 59 12.547 -0.810 -3.449 1.00 0.00 C ATOM 1027 OE1 GLU A 59 12.871 0.081 -2.623 1.00 0.00 O ATOM 1028 OE2 GLU A 59 12.897 -0.723 -4.650 1.00 0.00 O ATOM 0 H GLU A 59 9.744 -3.748 -3.230 1.00 0.00 H new ATOM 0 HA GLU A 59 12.202 -4.342 -4.312 1.00 0.00 H new ATOM 0 HB2 GLU A 59 11.531 -3.336 -1.520 1.00 0.00 H new ATOM 0 HB3 GLU A 59 13.062 -3.128 -2.347 1.00 0.00 H new ATOM 0 HG2 GLU A 59 10.899 -2.068 -3.959 1.00 0.00 H new ATOM 0 HG3 GLU A 59 10.824 -1.406 -2.339 1.00 0.00 H new ATOM 1035 N ARG A 60 11.600 -6.181 -1.581 1.00 0.00 N ATOM 1036 CA ARG A 60 12.018 -7.372 -0.831 1.00 0.00 C ATOM 1037 C ARG A 60 11.735 -8.665 -1.590 1.00 0.00 C ATOM 1038 O ARG A 60 12.344 -9.677 -1.250 1.00 0.00 O ATOM 1039 CB ARG A 60 11.342 -7.433 0.566 1.00 0.00 C ATOM 1040 CG ARG A 60 11.828 -6.365 1.559 1.00 0.00 C ATOM 1041 CD ARG A 60 10.933 -6.219 2.810 1.00 0.00 C ATOM 1042 NE ARG A 60 11.377 -7.015 3.977 1.00 0.00 N ATOM 1043 CZ ARG A 60 11.149 -6.716 5.269 1.00 0.00 C ATOM 1044 NH1 ARG A 60 10.350 -5.716 5.624 1.00 0.00 N ATOM 1045 NH2 ARG A 60 11.750 -7.410 6.223 1.00 0.00 N ATOM 0 H ARG A 60 10.777 -5.724 -1.188 1.00 0.00 H new ATOM 0 HA ARG A 60 13.097 -7.282 -0.701 1.00 0.00 H new ATOM 0 HB2 ARG A 60 10.265 -7.328 0.439 1.00 0.00 H new ATOM 0 HB3 ARG A 60 11.518 -8.418 0.998 1.00 0.00 H new ATOM 0 HG2 ARG A 60 12.841 -6.612 1.876 1.00 0.00 H new ATOM 0 HG3 ARG A 60 11.880 -5.404 1.047 1.00 0.00 H new ATOM 0 HD2 ARG A 60 10.897 -5.168 3.095 1.00 0.00 H new ATOM 0 HD3 ARG A 60 9.916 -6.514 2.550 1.00 0.00 H new ATOM 0 HE ARG A 60 11.903 -7.867 3.784 1.00 0.00 H new ATOM 0 HH11 ARG A 60 9.891 -5.152 4.909 1.00 0.00 H new ATOM 0 HH12 ARG A 60 10.196 -5.512 6.611 1.00 0.00 H new ATOM 0 HH21 ARG A 60 12.385 -8.170 5.978 1.00 0.00 H new ATOM 0 HH22 ARG A 60 11.578 -7.185 7.203 1.00 0.00 H new ATOM 1059 N GLU A 61 10.879 -8.669 -2.608 1.00 0.00 N ATOM 1060 CA GLU A 61 10.641 -9.857 -3.402 1.00 0.00 C ATOM 1061 C GLU A 61 11.905 -10.138 -4.211 1.00 0.00 C ATOM 1062 O GLU A 61 12.407 -11.259 -4.130 1.00 0.00 O ATOM 1063 CB GLU A 61 9.391 -9.770 -4.293 1.00 0.00 C ATOM 1064 CG GLU A 61 8.079 -9.515 -3.528 1.00 0.00 C ATOM 1065 CD GLU A 61 6.805 -10.059 -4.197 1.00 0.00 C ATOM 1066 OE1 GLU A 61 6.861 -11.048 -4.971 1.00 0.00 O ATOM 1067 OE2 GLU A 61 5.697 -9.553 -3.900 1.00 0.00 O ATOM 0 H GLU A 61 10.339 -7.854 -2.899 1.00 0.00 H new ATOM 0 HA GLU A 61 10.426 -10.687 -2.729 1.00 0.00 H new ATOM 0 HB2 GLU A 61 9.534 -8.971 -5.021 1.00 0.00 H new ATOM 0 HB3 GLU A 61 9.295 -10.699 -4.854 1.00 0.00 H new ATOM 0 HG2 GLU A 61 8.165 -9.959 -2.536 1.00 0.00 H new ATOM 0 HG3 GLU A 61 7.964 -8.440 -3.387 1.00 0.00 H new ATOM 1074 N LEU A 62 12.442 -9.163 -4.965 1.00 0.00 N ATOM 1075 CA LEU A 62 13.594 -9.417 -5.825 1.00 0.00 C ATOM 1076 C LEU A 62 14.919 -9.157 -5.108 1.00 0.00 C ATOM 1077 O LEU A 62 15.977 -9.447 -5.668 1.00 0.00 O ATOM 1078 CB LEU A 62 13.564 -8.583 -7.112 1.00 0.00 C ATOM 1079 CG LEU A 62 12.228 -8.071 -7.661 1.00 0.00 C ATOM 1080 CD1 LEU A 62 11.089 -9.095 -7.746 1.00 0.00 C ATOM 1081 CD2 LEU A 62 11.792 -6.765 -6.995 1.00 0.00 C ATOM 0 H LEU A 62 12.096 -8.204 -4.992 1.00 0.00 H new ATOM 0 HA LEU A 62 13.525 -10.473 -6.086 1.00 0.00 H new ATOM 0 HB2 LEU A 62 14.203 -7.715 -6.951 1.00 0.00 H new ATOM 0 HB3 LEU A 62 14.030 -9.180 -7.896 1.00 0.00 H new ATOM 0 HG LEU A 62 12.449 -7.862 -8.708 1.00 0.00 H new ATOM 0 HD11 LEU A 62 10.197 -8.615 -8.149 1.00 0.00 H new ATOM 0 HD12 LEU A 62 11.386 -9.916 -8.399 1.00 0.00 H new ATOM 0 HD13 LEU A 62 10.874 -9.483 -6.750 1.00 0.00 H new ATOM 0 HD21 LEU A 62 10.840 -6.442 -7.417 1.00 0.00 H new ATOM 0 HD22 LEU A 62 11.678 -6.924 -5.923 1.00 0.00 H new ATOM 0 HD23 LEU A 62 12.546 -5.998 -7.170 1.00 0.00 H new ATOM 1093 N GLY A 63 14.890 -8.569 -3.912 1.00 0.00 N ATOM 1094 CA GLY A 63 16.078 -8.077 -3.238 1.00 0.00 C ATOM 1095 C GLY A 63 16.589 -6.823 -3.929 1.00 0.00 C ATOM 1096 O GLY A 63 17.783 -6.719 -4.206 1.00 0.00 O ATOM 0 H GLY A 63 14.030 -8.422 -3.384 1.00 0.00 H new ATOM 0 HA2 GLY A 63 15.850 -7.859 -2.195 1.00 0.00 H new ATOM 0 HA3 GLY A 63 16.852 -8.845 -3.242 1.00 0.00 H new ATOM 1100 N ILE A 64 15.706 -5.888 -4.278 1.00 0.00 N ATOM 1101 CA ILE A 64 16.039 -4.506 -4.430 1.00 0.00 C ATOM 1102 C ILE A 64 15.971 -3.963 -3.011 1.00 0.00 C ATOM 1103 O ILE A 64 15.111 -4.318 -2.212 1.00 0.00 O ATOM 1104 CB ILE A 64 15.018 -3.784 -5.325 1.00 0.00 C ATOM 1105 CG1 ILE A 64 14.818 -4.556 -6.642 1.00 0.00 C ATOM 1106 CG2 ILE A 64 15.453 -2.333 -5.523 1.00 0.00 C ATOM 1107 CD1 ILE A 64 13.954 -3.830 -7.670 1.00 0.00 C ATOM 0 H ILE A 64 14.724 -6.093 -4.463 1.00 0.00 H new ATOM 0 HA ILE A 64 17.011 -4.361 -4.902 1.00 0.00 H new ATOM 0 HB ILE A 64 14.040 -3.759 -4.844 1.00 0.00 H new ATOM 0 HG12 ILE A 64 15.794 -4.758 -7.083 1.00 0.00 H new ATOM 0 HG13 ILE A 64 14.363 -5.521 -6.419 1.00 0.00 H new ATOM 0 HG21 ILE A 64 14.730 -1.820 -6.157 1.00 0.00 H new ATOM 0 HG22 ILE A 64 15.506 -1.834 -4.556 1.00 0.00 H new ATOM 0 HG23 ILE A 64 16.434 -2.309 -5.998 1.00 0.00 H new ATOM 0 HD11 ILE A 64 13.864 -4.442 -8.567 1.00 0.00 H new ATOM 0 HD12 ILE A 64 12.963 -3.651 -7.252 1.00 0.00 H new ATOM 0 HD13 ILE A 64 14.417 -2.877 -7.926 1.00 0.00 H new