USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 585 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 21 ASN : amide:sc= -0.0807 X(o=-1.1,f=-1.5) USER MOD Set 1.2: A 65 ASN : amide:sc= -1.01 X(o=-1.1,f=-1.4) USER MOD Single : A 11 SER OG : rot -40:sc= 0.24 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot -37:sc= 1.14 USER MOD Single : A 23 MET CE :methyl 163:sc= -0.079 (180deg=-0.455) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 20:sc= 0.698 USER MOD Single : A 28 SER OG : rot -28:sc= 1.34 USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 38 MET CE :methyl -125:sc= -1.49 (180deg=-2.84!) USER MOD Single : A 40 ASN : amide:sc= 0.0212 X(o=0.021,f=-0.15) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot -30:sc= 1.21 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0.00231 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.069) USER MOD Single : A 66 GLN : amide:sc= 0.0855 X(o=0.086,f=-0.057) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -0.91 K(o=-0.91,f=-4.9!) USER MOD Single : A 74 MET CE :methyl 159:sc= -0.165 (180deg=-0.734) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 58:sc= 0.179 USER MOD Single : A 84 MET CE :methyl 170:sc= -0.154 (180deg=-0.249) USER MOD ----------------------------------------------------------------- ATOM 55 N SER A 11 7.842 -12.319 -4.100 1.00 0.00 N ATOM 56 CA SER A 11 7.900 -10.883 -4.355 1.00 0.00 C ATOM 57 C SER A 11 7.126 -10.085 -3.305 1.00 0.00 C ATOM 58 O SER A 11 7.592 -9.051 -2.839 1.00 0.00 O ATOM 59 CB SER A 11 7.366 -10.584 -5.755 1.00 0.00 C ATOM 60 OG SER A 11 6.127 -11.243 -5.971 1.00 0.00 O ATOM 0 HA SER A 11 8.943 -10.573 -4.291 1.00 0.00 H new ATOM 0 HB2 SER A 11 7.238 -9.509 -5.879 1.00 0.00 H new ATOM 0 HB3 SER A 11 8.091 -10.907 -6.503 1.00 0.00 H new ATOM 0 HG SER A 11 6.161 -12.141 -5.579 1.00 0.00 H new ATOM 66 N GLU A 12 5.958 -10.589 -2.928 1.00 0.00 N ATOM 67 CA GLU A 12 5.105 -9.937 -1.933 1.00 0.00 C ATOM 68 C GLU A 12 5.841 -9.766 -0.599 1.00 0.00 C ATOM 69 O GLU A 12 5.759 -8.725 0.049 1.00 0.00 O ATOM 70 CB GLU A 12 3.847 -10.770 -1.711 1.00 0.00 C ATOM 71 CG GLU A 12 3.065 -11.071 -2.976 1.00 0.00 C ATOM 72 CD GLU A 12 1.843 -11.911 -2.699 1.00 0.00 C ATOM 73 OE1 GLU A 12 1.963 -13.151 -2.652 1.00 0.00 O ATOM 74 OE2 GLU A 12 0.752 -11.335 -2.504 1.00 0.00 O ATOM 0 H GLU A 12 5.573 -11.458 -3.299 1.00 0.00 H new ATOM 0 HA GLU A 12 4.838 -8.950 -2.310 1.00 0.00 H new ATOM 0 HB2 GLU A 12 4.128 -11.712 -1.239 1.00 0.00 H new ATOM 0 HB3 GLU A 12 3.196 -10.244 -1.012 1.00 0.00 H new ATOM 0 HG2 GLU A 12 2.763 -10.135 -3.446 1.00 0.00 H new ATOM 0 HG3 GLU A 12 3.709 -11.591 -3.685 1.00 0.00 H new ATOM 81 N THR A 13 6.569 -10.793 -0.221 1.00 0.00 N ATOM 82 CA THR A 13 7.304 -10.807 1.031 1.00 0.00 C ATOM 83 C THR A 13 8.644 -10.061 0.888 1.00 0.00 C ATOM 84 O THR A 13 9.360 -9.835 1.866 1.00 0.00 O ATOM 85 CB THR A 13 7.554 -12.267 1.472 1.00 0.00 C ATOM 86 OG1 THR A 13 6.329 -13.011 1.363 1.00 0.00 O ATOM 87 CG2 THR A 13 8.052 -12.338 2.911 1.00 0.00 C ATOM 0 H THR A 13 6.670 -11.645 -0.772 1.00 0.00 H new ATOM 0 HA THR A 13 6.709 -10.297 1.789 1.00 0.00 H new ATOM 0 HB THR A 13 8.320 -12.691 0.823 1.00 0.00 H new ATOM 0 HG1 THR A 13 6.484 -13.938 1.640 1.00 0.00 H new ATOM 0 HG21 THR A 13 8.217 -13.379 3.188 1.00 0.00 H new ATOM 0 HG22 THR A 13 8.988 -11.786 3.000 1.00 0.00 H new ATOM 0 HG23 THR A 13 7.308 -11.900 3.576 1.00 0.00 H new ATOM 95 N TYR A 14 8.963 -9.673 -0.332 1.00 0.00 N ATOM 96 CA TYR A 14 10.207 -8.999 -0.629 1.00 0.00 C ATOM 97 C TYR A 14 10.004 -7.489 -0.878 1.00 0.00 C ATOM 98 O TYR A 14 10.973 -6.734 -0.982 1.00 0.00 O ATOM 99 CB TYR A 14 10.842 -9.680 -1.862 1.00 0.00 C ATOM 100 CG TYR A 14 12.044 -8.978 -2.441 1.00 0.00 C ATOM 101 CD1 TYR A 14 13.308 -9.176 -1.918 1.00 0.00 C ATOM 102 CD2 TYR A 14 11.907 -8.119 -3.523 1.00 0.00 C ATOM 103 CE1 TYR A 14 14.404 -8.535 -2.453 1.00 0.00 C ATOM 104 CE2 TYR A 14 12.993 -7.474 -4.061 1.00 0.00 C ATOM 105 CZ TYR A 14 14.243 -7.685 -3.523 1.00 0.00 C ATOM 106 OH TYR A 14 15.338 -7.045 -4.056 1.00 0.00 O ATOM 0 H TYR A 14 8.364 -9.818 -1.145 1.00 0.00 H new ATOM 0 HA TYR A 14 10.871 -9.080 0.232 1.00 0.00 H new ATOM 0 HB2 TYR A 14 11.132 -10.694 -1.587 1.00 0.00 H new ATOM 0 HB3 TYR A 14 10.083 -9.766 -2.640 1.00 0.00 H new ATOM 0 HD1 TYR A 14 13.438 -9.842 -1.078 1.00 0.00 H new ATOM 0 HD2 TYR A 14 10.928 -7.955 -3.949 1.00 0.00 H new ATOM 0 HE1 TYR A 14 15.386 -8.699 -2.034 1.00 0.00 H new ATOM 0 HE2 TYR A 14 12.868 -6.806 -4.900 1.00 0.00 H new ATOM 0 HH TYR A 14 15.055 -6.482 -4.806 1.00 0.00 H new ATOM 116 N ILE A 15 8.763 -7.039 -0.925 1.00 0.00 N ATOM 117 CA ILE A 15 8.495 -5.647 -1.265 1.00 0.00 C ATOM 118 C ILE A 15 7.867 -4.878 -0.087 1.00 0.00 C ATOM 119 O ILE A 15 6.968 -5.382 0.603 1.00 0.00 O ATOM 120 CB ILE A 15 7.590 -5.541 -2.533 1.00 0.00 C ATOM 121 CG1 ILE A 15 7.449 -4.087 -2.994 1.00 0.00 C ATOM 122 CG2 ILE A 15 6.220 -6.159 -2.289 1.00 0.00 C ATOM 123 CD1 ILE A 15 8.754 -3.443 -3.402 1.00 0.00 C ATOM 0 H ILE A 15 7.935 -7.604 -0.736 1.00 0.00 H new ATOM 0 HA ILE A 15 9.456 -5.183 -1.487 1.00 0.00 H new ATOM 0 HB ILE A 15 8.078 -6.104 -3.328 1.00 0.00 H new ATOM 0 HG12 ILE A 15 6.758 -4.049 -3.836 1.00 0.00 H new ATOM 0 HG13 ILE A 15 7.003 -3.503 -2.189 1.00 0.00 H new ATOM 0 HG21 ILE A 15 5.614 -6.069 -3.191 1.00 0.00 H new ATOM 0 HG22 ILE A 15 6.336 -7.212 -2.034 1.00 0.00 H new ATOM 0 HG23 ILE A 15 5.727 -5.639 -1.468 1.00 0.00 H new ATOM 0 HD11 ILE A 15 8.570 -2.415 -3.715 1.00 0.00 H new ATOM 0 HD12 ILE A 15 9.442 -3.447 -2.556 1.00 0.00 H new ATOM 0 HD13 ILE A 15 9.192 -4.002 -4.229 1.00 0.00 H new ATOM 135 N THR A 16 8.357 -3.667 0.146 1.00 0.00 N ATOM 136 CA THR A 16 7.842 -2.825 1.207 1.00 0.00 C ATOM 137 C THR A 16 7.360 -1.504 0.619 1.00 0.00 C ATOM 138 O THR A 16 7.507 -1.253 -0.574 1.00 0.00 O ATOM 139 CB THR A 16 8.920 -2.523 2.286 1.00 0.00 C ATOM 140 OG1 THR A 16 9.943 -1.685 1.742 1.00 0.00 O ATOM 141 CG2 THR A 16 9.549 -3.804 2.806 1.00 0.00 C ATOM 0 H THR A 16 9.115 -3.248 -0.392 1.00 0.00 H new ATOM 0 HA THR A 16 7.021 -3.363 1.682 1.00 0.00 H new ATOM 0 HB THR A 16 8.427 -2.013 3.113 1.00 0.00 H new ATOM 0 HG1 THR A 16 10.116 -1.941 0.812 1.00 0.00 H new ATOM 0 HG21 THR A 16 10.299 -3.562 3.559 1.00 0.00 H new ATOM 0 HG22 THR A 16 8.778 -4.433 3.251 1.00 0.00 H new ATOM 0 HG23 THR A 16 10.022 -4.338 1.982 1.00 0.00 H new ATOM 149 N CYS A 17 6.776 -0.675 1.444 1.00 0.00 N ATOM 150 CA CYS A 17 6.314 0.628 1.006 1.00 0.00 C ATOM 151 C CYS A 17 7.481 1.618 0.958 1.00 0.00 C ATOM 152 O CYS A 17 7.415 2.643 0.282 1.00 0.00 O ATOM 153 CB CYS A 17 5.239 1.118 1.954 1.00 0.00 C ATOM 154 SG CYS A 17 4.614 -0.197 3.051 1.00 0.00 S ATOM 0 H CYS A 17 6.606 -0.875 2.430 1.00 0.00 H new ATOM 0 HA CYS A 17 5.898 0.548 0.002 1.00 0.00 H new ATOM 0 HB2 CYS A 17 5.638 1.931 2.560 1.00 0.00 H new ATOM 0 HB3 CYS A 17 4.410 1.528 1.376 1.00 0.00 H new ATOM 159 N ALA A 18 8.553 1.278 1.676 1.00 0.00 N ATOM 160 CA ALA A 18 9.739 2.120 1.778 1.00 0.00 C ATOM 161 C ALA A 18 10.406 2.343 0.423 1.00 0.00 C ATOM 162 O ALA A 18 10.620 3.484 0.013 1.00 0.00 O ATOM 163 CB ALA A 18 10.730 1.521 2.764 1.00 0.00 C ATOM 0 H ALA A 18 8.620 0.408 2.204 1.00 0.00 H new ATOM 0 HA ALA A 18 9.414 3.094 2.143 1.00 0.00 H new ATOM 0 HB1 ALA A 18 11.610 2.161 2.829 1.00 0.00 H new ATOM 0 HB2 ALA A 18 10.264 1.443 3.746 1.00 0.00 H new ATOM 0 HB3 ALA A 18 11.027 0.529 2.424 1.00 0.00 H new ATOM 169 N GLU A 19 10.740 1.264 -0.278 1.00 0.00 N ATOM 170 CA GLU A 19 11.388 1.408 -1.577 1.00 0.00 C ATOM 171 C GLU A 19 10.374 1.624 -2.689 1.00 0.00 C ATOM 172 O GLU A 19 10.723 2.111 -3.770 1.00 0.00 O ATOM 173 CB GLU A 19 12.378 0.265 -1.905 1.00 0.00 C ATOM 174 CG GLU A 19 12.390 -0.896 -0.925 1.00 0.00 C ATOM 175 CD GLU A 19 11.377 -1.951 -1.265 1.00 0.00 C ATOM 176 OE1 GLU A 19 11.717 -2.878 -2.028 1.00 0.00 O ATOM 177 OE2 GLU A 19 10.251 -1.867 -0.771 1.00 0.00 O ATOM 0 H GLU A 19 10.578 0.303 0.022 1.00 0.00 H new ATOM 0 HA GLU A 19 11.998 2.308 -1.508 1.00 0.00 H new ATOM 0 HB2 GLU A 19 12.142 -0.122 -2.896 1.00 0.00 H new ATOM 0 HB3 GLU A 19 13.383 0.683 -1.957 1.00 0.00 H new ATOM 0 HG2 GLU A 19 13.384 -1.344 -0.910 1.00 0.00 H new ATOM 0 HG3 GLU A 19 12.195 -0.520 0.079 1.00 0.00 H new ATOM 184 N ALA A 20 9.106 1.269 -2.426 1.00 0.00 N ATOM 185 CA ALA A 20 8.042 1.495 -3.392 1.00 0.00 C ATOM 186 C ALA A 20 7.921 2.985 -3.682 1.00 0.00 C ATOM 187 O ALA A 20 7.542 3.390 -4.778 1.00 0.00 O ATOM 188 CB ALA A 20 6.724 0.943 -2.872 1.00 0.00 C ATOM 0 H ALA A 20 8.804 0.828 -1.557 1.00 0.00 H new ATOM 0 HA ALA A 20 8.286 0.973 -4.317 1.00 0.00 H new ATOM 0 HB1 ALA A 20 5.940 1.121 -3.608 1.00 0.00 H new ATOM 0 HB2 ALA A 20 6.822 -0.129 -2.698 1.00 0.00 H new ATOM 0 HB3 ALA A 20 6.465 1.440 -1.937 1.00 0.00 H new ATOM 194 N ASN A 21 8.269 3.795 -2.685 1.00 0.00 N ATOM 195 CA ASN A 21 8.267 5.248 -2.817 1.00 0.00 C ATOM 196 C ASN A 21 9.252 5.671 -3.901 1.00 0.00 C ATOM 197 O ASN A 21 8.895 6.388 -4.839 1.00 0.00 O ATOM 198 CB ASN A 21 8.658 5.893 -1.485 1.00 0.00 C ATOM 199 CG ASN A 21 8.774 7.408 -1.566 1.00 0.00 C ATOM 200 OD1 ASN A 21 8.076 8.062 -2.338 1.00 0.00 O ATOM 201 ND2 ASN A 21 9.660 7.969 -0.770 1.00 0.00 N ATOM 0 H ASN A 21 8.559 3.463 -1.765 1.00 0.00 H new ATOM 0 HA ASN A 21 7.266 5.577 -3.094 1.00 0.00 H new ATOM 0 HB2 ASN A 21 7.917 5.631 -0.730 1.00 0.00 H new ATOM 0 HB3 ASN A 21 9.610 5.479 -1.153 1.00 0.00 H new ATOM 0 HD21 ASN A 21 9.786 8.981 -0.780 1.00 0.00 H new ATOM 0 HD22 ASN A 21 10.220 7.391 -0.143 1.00 0.00 H new ATOM 208 N GLU A 22 10.500 5.229 -3.747 1.00 0.00 N ATOM 209 CA GLU A 22 11.553 5.499 -4.722 1.00 0.00 C ATOM 210 C GLU A 22 11.125 5.050 -6.114 1.00 0.00 C ATOM 211 O GLU A 22 11.318 5.770 -7.095 1.00 0.00 O ATOM 212 CB GLU A 22 12.840 4.791 -4.318 1.00 0.00 C ATOM 213 CG GLU A 22 13.378 5.231 -2.973 1.00 0.00 C ATOM 214 CD GLU A 22 14.595 4.447 -2.560 1.00 0.00 C ATOM 215 OE1 GLU A 22 15.696 4.751 -3.051 1.00 0.00 O ATOM 216 OE2 GLU A 22 14.455 3.521 -1.742 1.00 0.00 O ATOM 0 H GLU A 22 10.807 4.676 -2.947 1.00 0.00 H new ATOM 0 HA GLU A 22 11.732 6.574 -4.744 1.00 0.00 H new ATOM 0 HB2 GLU A 22 12.661 3.716 -4.294 1.00 0.00 H new ATOM 0 HB3 GLU A 22 13.598 4.971 -5.080 1.00 0.00 H new ATOM 0 HG2 GLU A 22 13.628 6.291 -3.013 1.00 0.00 H new ATOM 0 HG3 GLU A 22 12.601 5.115 -2.218 1.00 0.00 H new ATOM 223 N MET A 23 10.544 3.859 -6.190 1.00 0.00 N ATOM 224 CA MET A 23 10.032 3.340 -7.449 1.00 0.00 C ATOM 225 C MET A 23 8.980 4.286 -8.023 1.00 0.00 C ATOM 226 O MET A 23 9.059 4.673 -9.165 1.00 0.00 O ATOM 227 CB MET A 23 9.436 1.941 -7.255 1.00 0.00 C ATOM 228 CG MET A 23 10.441 0.893 -6.797 1.00 0.00 C ATOM 229 SD MET A 23 9.681 -0.714 -6.474 1.00 0.00 S ATOM 230 CE MET A 23 9.039 -1.125 -8.097 1.00 0.00 C ATOM 0 H MET A 23 10.416 3.235 -5.393 1.00 0.00 H new ATOM 0 HA MET A 23 10.861 3.267 -8.153 1.00 0.00 H new ATOM 0 HB2 MET A 23 8.630 2.000 -6.523 1.00 0.00 H new ATOM 0 HB3 MET A 23 8.990 1.615 -8.195 1.00 0.00 H new ATOM 0 HG2 MET A 23 11.212 0.778 -7.559 1.00 0.00 H new ATOM 0 HG3 MET A 23 10.937 1.243 -5.892 1.00 0.00 H new ATOM 0 HE1 MET A 23 8.816 -2.191 -8.141 1.00 0.00 H new ATOM 0 HE2 MET A 23 8.128 -0.555 -8.283 1.00 0.00 H new ATOM 0 HE3 MET A 23 9.782 -0.879 -8.855 1.00 0.00 H new ATOM 240 N ALA A 24 8.004 4.650 -7.198 1.00 0.00 N ATOM 241 CA ALA A 24 6.936 5.578 -7.586 1.00 0.00 C ATOM 242 C ALA A 24 7.478 6.901 -8.139 1.00 0.00 C ATOM 243 O ALA A 24 6.847 7.526 -8.978 1.00 0.00 O ATOM 244 CB ALA A 24 6.006 5.839 -6.409 1.00 0.00 C ATOM 0 H ALA A 24 7.927 4.312 -6.239 1.00 0.00 H new ATOM 0 HA ALA A 24 6.377 5.100 -8.390 1.00 0.00 H new ATOM 0 HB1 ALA A 24 5.219 6.529 -6.713 1.00 0.00 H new ATOM 0 HB2 ALA A 24 5.559 4.900 -6.083 1.00 0.00 H new ATOM 0 HB3 ALA A 24 6.573 6.275 -5.587 1.00 0.00 H new ATOM 250 N LYS A 25 8.649 7.320 -7.673 1.00 0.00 N ATOM 251 CA LYS A 25 9.258 8.573 -8.145 1.00 0.00 C ATOM 252 C LYS A 25 9.658 8.478 -9.619 1.00 0.00 C ATOM 253 O LYS A 25 9.843 9.495 -10.292 1.00 0.00 O ATOM 254 CB LYS A 25 10.469 8.942 -7.288 1.00 0.00 C ATOM 255 CG LYS A 25 10.126 9.215 -5.838 1.00 0.00 C ATOM 256 CD LYS A 25 11.351 9.599 -5.034 1.00 0.00 C ATOM 257 CE LYS A 25 10.998 9.828 -3.578 1.00 0.00 C ATOM 258 NZ LYS A 25 12.173 10.239 -2.775 1.00 0.00 N ATOM 0 H LYS A 25 9.198 6.820 -6.974 1.00 0.00 H new ATOM 0 HA LYS A 25 8.510 9.360 -8.049 1.00 0.00 H new ATOM 0 HB2 LYS A 25 11.197 8.132 -7.334 1.00 0.00 H new ATOM 0 HB3 LYS A 25 10.948 9.825 -7.712 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.389 10.016 -5.783 1.00 0.00 H new ATOM 0 HG3 LYS A 25 9.666 8.329 -5.400 1.00 0.00 H new ATOM 0 HD2 LYS A 25 12.101 8.812 -5.110 1.00 0.00 H new ATOM 0 HD3 LYS A 25 11.794 10.503 -5.451 1.00 0.00 H new ATOM 0 HE2 LYS A 25 10.227 10.595 -3.509 1.00 0.00 H new ATOM 0 HE3 LYS A 25 10.576 8.914 -3.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 11.884 10.384 -1.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 12.900 9.496 -2.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 12.561 11.125 -3.156 1.00 0.00 H new ATOM 272 N THR A 26 9.756 7.261 -10.112 1.00 0.00 N ATOM 273 CA THR A 26 10.127 7.016 -11.492 1.00 0.00 C ATOM 274 C THR A 26 8.998 6.297 -12.230 1.00 0.00 C ATOM 275 O THR A 26 8.727 6.574 -13.403 1.00 0.00 O ATOM 276 CB THR A 26 11.434 6.200 -11.586 1.00 0.00 C ATOM 277 OG1 THR A 26 11.436 5.167 -10.591 1.00 0.00 O ATOM 278 CG2 THR A 26 12.648 7.097 -11.387 1.00 0.00 C ATOM 0 H THR A 26 9.581 6.415 -9.570 1.00 0.00 H new ATOM 0 HA THR A 26 10.299 7.982 -11.967 1.00 0.00 H new ATOM 0 HB THR A 26 11.488 5.754 -12.579 1.00 0.00 H new ATOM 0 HG1 THR A 26 10.518 4.999 -10.292 1.00 0.00 H new ATOM 0 HG21 THR A 26 13.557 6.500 -11.457 1.00 0.00 H new ATOM 0 HG22 THR A 26 12.660 7.869 -12.157 1.00 0.00 H new ATOM 0 HG23 THR A 26 12.597 7.566 -10.404 1.00 0.00 H new ATOM 286 N ASP A 27 8.334 5.394 -11.531 1.00 0.00 N ATOM 287 CA ASP A 27 7.214 4.643 -12.071 1.00 0.00 C ATOM 288 C ASP A 27 6.012 4.724 -11.143 1.00 0.00 C ATOM 289 O ASP A 27 5.647 3.745 -10.480 1.00 0.00 O ATOM 290 CB ASP A 27 7.596 3.181 -12.311 1.00 0.00 C ATOM 291 CG ASP A 27 8.407 2.998 -13.570 1.00 0.00 C ATOM 292 OD1 ASP A 27 7.837 3.159 -14.669 1.00 0.00 O ATOM 293 OD2 ASP A 27 9.614 2.687 -13.470 1.00 0.00 O ATOM 0 H ASP A 27 8.559 5.159 -10.564 1.00 0.00 H new ATOM 0 HA ASP A 27 6.947 5.090 -13.029 1.00 0.00 H new ATOM 0 HB2 ASP A 27 8.166 2.812 -11.458 1.00 0.00 H new ATOM 0 HB3 ASP A 27 6.691 2.577 -12.374 1.00 0.00 H new ATOM 298 N SER A 28 5.424 5.906 -11.076 1.00 0.00 N ATOM 299 CA SER A 28 4.249 6.160 -10.253 1.00 0.00 C ATOM 300 C SER A 28 3.111 5.185 -10.576 1.00 0.00 C ATOM 301 O SER A 28 2.447 4.678 -9.673 1.00 0.00 O ATOM 302 CB SER A 28 3.768 7.603 -10.453 1.00 0.00 C ATOM 303 OG SER A 28 4.824 8.534 -10.234 1.00 0.00 O ATOM 0 H SER A 28 5.749 6.723 -11.593 1.00 0.00 H new ATOM 0 HA SER A 28 4.536 6.010 -9.212 1.00 0.00 H new ATOM 0 HB2 SER A 28 3.379 7.722 -11.464 1.00 0.00 H new ATOM 0 HB3 SER A 28 2.947 7.813 -9.768 1.00 0.00 H new ATOM 0 HG SER A 28 5.466 8.157 -9.597 1.00 0.00 H new ATOM 309 N ALA A 29 2.912 4.907 -11.864 1.00 0.00 N ATOM 310 CA ALA A 29 1.826 4.037 -12.304 1.00 0.00 C ATOM 311 C ALA A 29 1.946 2.627 -11.728 1.00 0.00 C ATOM 312 O ALA A 29 0.987 2.103 -11.165 1.00 0.00 O ATOM 313 CB ALA A 29 1.762 3.988 -13.823 1.00 0.00 C ATOM 0 H ALA A 29 3.490 5.273 -12.620 1.00 0.00 H new ATOM 0 HA ALA A 29 0.898 4.464 -11.923 1.00 0.00 H new ATOM 0 HB1 ALA A 29 0.946 3.334 -14.132 1.00 0.00 H new ATOM 0 HB2 ALA A 29 1.590 4.991 -14.212 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.704 3.603 -14.215 1.00 0.00 H new ATOM 319 N GLN A 30 3.132 2.028 -11.854 1.00 0.00 N ATOM 320 CA GLN A 30 3.361 0.660 -11.371 1.00 0.00 C ATOM 321 C GLN A 30 3.092 0.527 -9.876 1.00 0.00 C ATOM 322 O GLN A 30 2.443 -0.419 -9.436 1.00 0.00 O ATOM 323 CB GLN A 30 4.792 0.205 -11.662 1.00 0.00 C ATOM 324 CG GLN A 30 5.119 0.059 -13.134 1.00 0.00 C ATOM 325 CD GLN A 30 6.512 -0.490 -13.365 1.00 0.00 C ATOM 326 OE1 GLN A 30 7.029 -1.265 -12.553 1.00 0.00 O ATOM 327 NE2 GLN A 30 7.130 -0.095 -14.457 1.00 0.00 N ATOM 0 H GLN A 30 3.947 2.465 -12.284 1.00 0.00 H new ATOM 0 HA GLN A 30 2.658 0.023 -11.908 1.00 0.00 H new ATOM 0 HB2 GLN A 30 5.484 0.921 -11.218 1.00 0.00 H new ATOM 0 HB3 GLN A 30 4.963 -0.752 -11.168 1.00 0.00 H new ATOM 0 HG2 GLN A 30 4.389 -0.602 -13.602 1.00 0.00 H new ATOM 0 HG3 GLN A 30 5.029 1.030 -13.621 1.00 0.00 H new ATOM 0 HE21 GLN A 30 6.667 0.546 -15.101 1.00 0.00 H new ATOM 0 HE22 GLN A 30 8.072 -0.430 -14.659 1.00 0.00 H new ATOM 336 N VAL A 31 3.559 1.493 -9.109 1.00 0.00 N ATOM 337 CA VAL A 31 3.442 1.431 -7.660 1.00 0.00 C ATOM 338 C VAL A 31 2.021 1.730 -7.205 1.00 0.00 C ATOM 339 O VAL A 31 1.495 1.066 -6.313 1.00 0.00 O ATOM 340 CB VAL A 31 4.426 2.398 -6.975 1.00 0.00 C ATOM 341 CG1 VAL A 31 4.284 2.333 -5.459 1.00 0.00 C ATOM 342 CG2 VAL A 31 5.849 2.073 -7.391 1.00 0.00 C ATOM 0 H VAL A 31 4.023 2.330 -9.462 1.00 0.00 H new ATOM 0 HA VAL A 31 3.694 0.413 -7.364 1.00 0.00 H new ATOM 0 HB VAL A 31 4.190 3.414 -7.292 1.00 0.00 H new ATOM 0 HG11 VAL A 31 4.989 3.024 -4.998 1.00 0.00 H new ATOM 0 HG12 VAL A 31 3.268 2.609 -5.177 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.493 1.319 -5.117 1.00 0.00 H new ATOM 0 HG21 VAL A 31 6.537 2.762 -6.902 1.00 0.00 H new ATOM 0 HG22 VAL A 31 6.089 1.051 -7.098 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.944 2.172 -8.472 1.00 0.00 H new ATOM 352 N ALA A 32 1.386 2.689 -7.851 1.00 0.00 N ATOM 353 CA ALA A 32 0.040 3.080 -7.478 1.00 0.00 C ATOM 354 C ALA A 32 -0.954 2.000 -7.874 1.00 0.00 C ATOM 355 O ALA A 32 -1.997 1.839 -7.246 1.00 0.00 O ATOM 356 CB ALA A 32 -0.328 4.411 -8.114 1.00 0.00 C ATOM 0 H ALA A 32 1.779 3.211 -8.635 1.00 0.00 H new ATOM 0 HA ALA A 32 0.003 3.201 -6.395 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -1.341 4.686 -7.822 1.00 0.00 H new ATOM 0 HB2 ALA A 32 0.368 5.180 -7.778 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -0.275 4.323 -9.199 1.00 0.00 H new ATOM 362 N GLU A 33 -0.618 1.258 -8.921 1.00 0.00 N ATOM 363 CA GLU A 33 -1.463 0.181 -9.392 1.00 0.00 C ATOM 364 C GLU A 33 -1.388 -1.011 -8.443 1.00 0.00 C ATOM 365 O GLU A 33 -2.381 -1.377 -7.832 1.00 0.00 O ATOM 366 CB GLU A 33 -1.044 -0.246 -10.805 1.00 0.00 C ATOM 367 CG GLU A 33 -1.939 -1.305 -11.430 1.00 0.00 C ATOM 368 CD GLU A 33 -3.340 -0.802 -11.705 1.00 0.00 C ATOM 369 OE1 GLU A 33 -4.193 -0.868 -10.800 1.00 0.00 O ATOM 370 OE2 GLU A 33 -3.600 -0.351 -12.841 1.00 0.00 O ATOM 0 H GLU A 33 0.239 1.387 -9.459 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.492 0.540 -9.422 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -1.036 0.633 -11.450 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.023 -0.625 -10.770 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -1.491 -1.648 -12.363 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -1.992 -2.168 -10.766 1.00 0.00 H new ATOM 377 N ILE A 34 -0.188 -1.583 -8.298 1.00 0.00 N ATOM 378 CA ILE A 34 0.024 -2.771 -7.450 1.00 0.00 C ATOM 379 C ILE A 34 -0.523 -2.562 -6.030 1.00 0.00 C ATOM 380 O ILE A 34 -1.201 -3.437 -5.479 1.00 0.00 O ATOM 381 CB ILE A 34 1.525 -3.158 -7.380 1.00 0.00 C ATOM 382 CG1 ILE A 34 2.054 -3.484 -8.784 1.00 0.00 C ATOM 383 CG2 ILE A 34 1.734 -4.348 -6.443 1.00 0.00 C ATOM 384 CD1 ILE A 34 3.533 -3.814 -8.827 1.00 0.00 C ATOM 0 H ILE A 34 0.657 -1.244 -8.757 1.00 0.00 H new ATOM 0 HA ILE A 34 -0.528 -3.588 -7.916 1.00 0.00 H new ATOM 0 HB ILE A 34 2.082 -2.309 -6.983 1.00 0.00 H new ATOM 0 HG12 ILE A 34 1.493 -4.328 -9.185 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.863 -2.634 -9.439 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.793 -4.603 -6.409 1.00 0.00 H new ATOM 0 HG22 ILE A 34 1.391 -4.087 -5.442 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.167 -5.204 -6.810 1.00 0.00 H new ATOM 0 HD11 ILE A 34 3.827 -4.032 -9.854 1.00 0.00 H new ATOM 0 HD12 ILE A 34 4.106 -2.964 -8.458 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.730 -4.684 -8.200 1.00 0.00 H new ATOM 396 N VAL A 35 -0.238 -1.399 -5.459 1.00 0.00 N ATOM 397 CA VAL A 35 -0.705 -1.056 -4.122 1.00 0.00 C ATOM 398 C VAL A 35 -2.241 -1.049 -4.048 1.00 0.00 C ATOM 399 O VAL A 35 -2.832 -1.554 -3.092 1.00 0.00 O ATOM 400 CB VAL A 35 -0.137 0.323 -3.680 1.00 0.00 C ATOM 401 CG1 VAL A 35 -0.920 0.908 -2.517 1.00 0.00 C ATOM 402 CG2 VAL A 35 1.334 0.192 -3.314 1.00 0.00 C ATOM 0 H VAL A 35 0.320 -0.671 -5.906 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.339 -1.822 -3.438 1.00 0.00 H new ATOM 0 HB VAL A 35 -0.238 1.008 -4.522 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -0.492 1.871 -2.238 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -1.961 1.045 -2.811 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.870 0.229 -1.666 1.00 0.00 H new ATOM 0 HG21 VAL A 35 1.720 1.164 -3.006 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.443 -0.518 -2.494 1.00 0.00 H new ATOM 0 HG23 VAL A 35 1.894 -0.164 -4.179 1.00 0.00 H new ATOM 412 N ALA A 36 -2.874 -0.507 -5.073 1.00 0.00 N ATOM 413 CA ALA A 36 -4.320 -0.406 -5.112 1.00 0.00 C ATOM 414 C ALA A 36 -4.977 -1.735 -5.479 1.00 0.00 C ATOM 415 O ALA A 36 -6.051 -2.050 -4.981 1.00 0.00 O ATOM 416 CB ALA A 36 -4.753 0.683 -6.076 1.00 0.00 C ATOM 0 H ALA A 36 -2.404 -0.128 -5.895 1.00 0.00 H new ATOM 0 HA ALA A 36 -4.653 -0.143 -4.108 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -5.841 0.744 -6.092 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -4.341 1.639 -5.754 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.388 0.450 -7.076 1.00 0.00 H new ATOM 422 N VAL A 37 -4.339 -2.503 -6.363 1.00 0.00 N ATOM 423 CA VAL A 37 -4.890 -3.802 -6.785 1.00 0.00 C ATOM 424 C VAL A 37 -5.156 -4.698 -5.584 1.00 0.00 C ATOM 425 O VAL A 37 -6.307 -5.006 -5.277 1.00 0.00 O ATOM 426 CB VAL A 37 -3.969 -4.545 -7.788 1.00 0.00 C ATOM 427 CG1 VAL A 37 -4.540 -5.918 -8.126 1.00 0.00 C ATOM 428 CG2 VAL A 37 -3.798 -3.733 -9.057 1.00 0.00 C ATOM 0 H VAL A 37 -3.450 -2.257 -6.799 1.00 0.00 H new ATOM 0 HA VAL A 37 -5.829 -3.582 -7.293 1.00 0.00 H new ATOM 0 HB VAL A 37 -2.994 -4.675 -7.318 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -3.880 -6.423 -8.831 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -4.622 -6.512 -7.216 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -5.527 -5.801 -8.573 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.149 -4.271 -9.748 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.771 -3.575 -9.522 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -3.351 -2.769 -8.815 1.00 0.00 H new ATOM 438 N MET A 38 -4.108 -5.114 -4.901 1.00 0.00 N ATOM 439 CA MET A 38 -4.262 -5.924 -3.714 1.00 0.00 C ATOM 440 C MET A 38 -4.956 -5.140 -2.619 1.00 0.00 C ATOM 441 O MET A 38 -5.760 -5.684 -1.875 1.00 0.00 O ATOM 442 CB MET A 38 -2.896 -6.387 -3.220 1.00 0.00 C ATOM 443 CG MET A 38 -2.943 -7.191 -1.931 1.00 0.00 C ATOM 444 SD MET A 38 -1.324 -7.343 -1.160 1.00 0.00 S ATOM 445 CE MET A 38 -0.964 -5.617 -0.808 1.00 0.00 C ATOM 0 H MET A 38 -3.141 -4.903 -5.149 1.00 0.00 H new ATOM 0 HA MET A 38 -4.872 -6.791 -3.967 1.00 0.00 H new ATOM 0 HB2 MET A 38 -2.427 -6.992 -3.996 1.00 0.00 H new ATOM 0 HB3 MET A 38 -2.261 -5.514 -3.068 1.00 0.00 H new ATOM 0 HG2 MET A 38 -3.632 -6.714 -1.233 1.00 0.00 H new ATOM 0 HG3 MET A 38 -3.338 -8.185 -2.140 1.00 0.00 H new ATOM 0 HE1 MET A 38 -0.008 -5.346 -1.255 1.00 0.00 H new ATOM 0 HE2 MET A 38 -1.751 -4.989 -1.226 1.00 0.00 H new ATOM 0 HE3 MET A 38 -0.915 -5.468 0.271 1.00 0.00 H new ATOM 455 N GLY A 39 -4.642 -3.857 -2.539 1.00 0.00 N ATOM 456 CA GLY A 39 -5.205 -3.014 -1.512 1.00 0.00 C ATOM 457 C GLY A 39 -6.709 -2.971 -1.535 1.00 0.00 C ATOM 458 O GLY A 39 -7.348 -3.295 -0.546 1.00 0.00 O ATOM 0 H GLY A 39 -4.001 -3.383 -3.175 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -4.874 -3.371 -0.537 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -4.818 -2.002 -1.630 1.00 0.00 H new ATOM 462 N ASN A 40 -7.274 -2.590 -2.663 1.00 0.00 N ATOM 463 CA ASN A 40 -8.724 -2.483 -2.799 1.00 0.00 C ATOM 464 C ASN A 40 -9.403 -3.827 -2.527 1.00 0.00 C ATOM 465 O ASN A 40 -10.474 -3.878 -1.934 1.00 0.00 O ATOM 466 CB ASN A 40 -9.102 -1.926 -4.188 1.00 0.00 C ATOM 467 CG ASN A 40 -9.473 -2.992 -5.208 1.00 0.00 C ATOM 468 OD1 ASN A 40 -10.638 -3.372 -5.340 1.00 0.00 O ATOM 469 ND2 ASN A 40 -8.492 -3.470 -5.931 1.00 0.00 N ATOM 0 H ASN A 40 -6.754 -2.347 -3.506 1.00 0.00 H new ATOM 0 HA ASN A 40 -9.087 -1.779 -2.050 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -9.941 -1.239 -4.076 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -8.264 -1.345 -4.574 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -8.678 -4.184 -6.635 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -7.541 -3.128 -5.790 1.00 0.00 H new ATOM 476 N ALA A 41 -8.767 -4.910 -2.956 1.00 0.00 N ATOM 477 CA ALA A 41 -9.292 -6.246 -2.715 1.00 0.00 C ATOM 478 C ALA A 41 -9.200 -6.609 -1.234 1.00 0.00 C ATOM 479 O ALA A 41 -10.127 -7.184 -0.664 1.00 0.00 O ATOM 480 CB ALA A 41 -8.543 -7.264 -3.559 1.00 0.00 C ATOM 0 H ALA A 41 -7.888 -4.888 -3.472 1.00 0.00 H new ATOM 0 HA ALA A 41 -10.344 -6.258 -3.001 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -8.945 -8.259 -3.370 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -8.662 -7.019 -4.615 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -7.485 -7.244 -3.299 1.00 0.00 H new ATOM 486 N SER A 42 -8.083 -6.262 -0.629 1.00 0.00 N ATOM 487 CA SER A 42 -7.832 -6.563 0.768 1.00 0.00 C ATOM 488 C SER A 42 -8.706 -5.707 1.696 1.00 0.00 C ATOM 489 O SER A 42 -9.465 -6.238 2.505 1.00 0.00 O ATOM 490 CB SER A 42 -6.345 -6.372 1.097 1.00 0.00 C ATOM 491 OG SER A 42 -6.021 -6.924 2.361 1.00 0.00 O ATOM 0 H SER A 42 -7.322 -5.763 -1.091 1.00 0.00 H new ATOM 0 HA SER A 42 -8.098 -7.606 0.937 1.00 0.00 H new ATOM 0 HB2 SER A 42 -5.736 -6.844 0.325 1.00 0.00 H new ATOM 0 HB3 SER A 42 -6.102 -5.309 1.089 1.00 0.00 H new ATOM 0 HG SER A 42 -5.067 -6.789 2.542 1.00 0.00 H new ATOM 497 N VAL A 43 -8.610 -4.392 1.573 1.00 0.00 N ATOM 498 CA VAL A 43 -9.360 -3.491 2.446 1.00 0.00 C ATOM 499 C VAL A 43 -10.878 -3.719 2.351 1.00 0.00 C ATOM 500 O VAL A 43 -11.580 -3.706 3.363 1.00 0.00 O ATOM 501 CB VAL A 43 -9.021 -1.995 2.172 1.00 0.00 C ATOM 502 CG1 VAL A 43 -7.516 -1.763 2.256 1.00 0.00 C ATOM 503 CG2 VAL A 43 -9.553 -1.538 0.822 1.00 0.00 C ATOM 0 H VAL A 43 -8.024 -3.923 0.882 1.00 0.00 H new ATOM 0 HA VAL A 43 -9.048 -3.729 3.463 1.00 0.00 H new ATOM 0 HB VAL A 43 -9.513 -1.400 2.942 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -7.298 -0.713 2.062 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -7.162 -2.029 3.252 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -7.011 -2.381 1.514 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -9.297 -0.490 0.666 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -9.107 -2.142 0.032 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -10.637 -1.654 0.800 1.00 0.00 H new ATOM 513 N ALA A 44 -11.370 -3.975 1.146 1.00 0.00 N ATOM 514 CA ALA A 44 -12.794 -4.177 0.930 1.00 0.00 C ATOM 515 C ALA A 44 -13.252 -5.558 1.393 1.00 0.00 C ATOM 516 O ALA A 44 -14.438 -5.815 1.488 1.00 0.00 O ATOM 517 CB ALA A 44 -13.143 -3.959 -0.535 1.00 0.00 C ATOM 0 H ALA A 44 -10.801 -4.048 0.302 1.00 0.00 H new ATOM 0 HA ALA A 44 -13.326 -3.442 1.534 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -14.212 -4.114 -0.681 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -12.881 -2.941 -0.824 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -12.587 -4.666 -1.151 1.00 0.00 H new ATOM 523 N SER A 45 -12.306 -6.431 1.709 1.00 0.00 N ATOM 524 CA SER A 45 -12.660 -7.789 2.105 1.00 0.00 C ATOM 525 C SER A 45 -12.968 -7.860 3.599 1.00 0.00 C ATOM 526 O SER A 45 -13.593 -8.813 4.069 1.00 0.00 O ATOM 527 CB SER A 45 -11.559 -8.795 1.734 1.00 0.00 C ATOM 528 OG SER A 45 -10.399 -8.622 2.530 1.00 0.00 O ATOM 0 H SER A 45 -11.306 -6.231 1.700 1.00 0.00 H new ATOM 0 HA SER A 45 -13.559 -8.062 1.553 1.00 0.00 H new ATOM 0 HB2 SER A 45 -11.937 -9.810 1.858 1.00 0.00 H new ATOM 0 HB3 SER A 45 -11.299 -8.678 0.682 1.00 0.00 H new ATOM 0 HG SER A 45 -10.317 -7.680 2.788 1.00 0.00 H new ATOM 534 N ARG A 46 -12.539 -6.849 4.351 1.00 0.00 N ATOM 535 CA ARG A 46 -12.758 -6.864 5.795 1.00 0.00 C ATOM 536 C ARG A 46 -13.685 -5.738 6.214 1.00 0.00 C ATOM 537 O ARG A 46 -14.340 -5.814 7.247 1.00 0.00 O ATOM 538 CB ARG A 46 -11.429 -6.708 6.537 1.00 0.00 C ATOM 539 CG ARG A 46 -10.334 -7.665 6.093 1.00 0.00 C ATOM 540 CD ARG A 46 -10.720 -9.116 6.313 1.00 0.00 C ATOM 541 NE ARG A 46 -9.601 -10.012 6.035 1.00 0.00 N ATOM 542 CZ ARG A 46 -9.720 -11.252 5.555 1.00 0.00 C ATOM 543 NH1 ARG A 46 -10.920 -11.764 5.299 1.00 0.00 N ATOM 544 NH2 ARG A 46 -8.632 -11.984 5.338 1.00 0.00 N ATOM 0 H ARG A 46 -12.049 -6.028 3.996 1.00 0.00 H new ATOM 0 HA ARG A 46 -13.214 -7.820 6.050 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -11.074 -5.686 6.406 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -11.606 -6.850 7.603 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -10.119 -7.504 5.037 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -9.418 -7.447 6.642 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -11.052 -9.254 7.342 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -11.562 -9.372 5.670 1.00 0.00 H new ATOM 0 HE ARG A 46 -8.660 -9.665 6.221 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -11.758 -11.209 5.469 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -11.002 -12.712 4.932 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -7.709 -11.598 5.538 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -8.720 -12.932 4.971 1.00 0.00 H new ATOM 558 N ASP A 47 -13.737 -4.709 5.406 1.00 0.00 N ATOM 559 CA ASP A 47 -14.554 -3.552 5.695 1.00 0.00 C ATOM 560 C ASP A 47 -15.875 -3.600 4.926 1.00 0.00 C ATOM 561 O ASP A 47 -16.950 -3.460 5.514 1.00 0.00 O ATOM 562 CB ASP A 47 -13.766 -2.294 5.344 1.00 0.00 C ATOM 563 CG ASP A 47 -14.472 -1.037 5.736 1.00 0.00 C ATOM 564 OD1 ASP A 47 -15.271 -0.550 4.938 1.00 0.00 O ATOM 565 OD2 ASP A 47 -14.211 -0.525 6.850 1.00 0.00 O ATOM 0 H ASP A 47 -13.217 -4.647 4.531 1.00 0.00 H new ATOM 0 HA ASP A 47 -14.802 -3.544 6.756 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -12.796 -2.329 5.839 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -13.576 -2.278 4.271 1.00 0.00 H new ATOM 570 N LEU A 48 -15.779 -3.796 3.602 1.00 0.00 N ATOM 571 CA LEU A 48 -16.953 -3.895 2.707 1.00 0.00 C ATOM 572 C LEU A 48 -17.686 -2.553 2.535 1.00 0.00 C ATOM 573 O LEU A 48 -18.678 -2.474 1.813 1.00 0.00 O ATOM 574 CB LEU A 48 -17.934 -4.983 3.190 1.00 0.00 C ATOM 575 CG LEU A 48 -17.459 -6.433 3.050 1.00 0.00 C ATOM 576 CD1 LEU A 48 -18.394 -7.372 3.795 1.00 0.00 C ATOM 577 CD2 LEU A 48 -17.381 -6.827 1.582 1.00 0.00 C ATOM 0 H LEU A 48 -14.887 -3.891 3.117 1.00 0.00 H new ATOM 0 HA LEU A 48 -16.566 -4.179 1.728 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -18.162 -4.797 4.240 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -18.867 -4.873 2.637 1.00 0.00 H new ATOM 0 HG LEU A 48 -16.463 -6.512 3.487 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -18.042 -8.398 3.686 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -18.412 -7.105 4.852 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -19.399 -7.287 3.383 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -17.042 -7.860 1.500 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -18.367 -6.731 1.127 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -16.678 -6.172 1.066 1.00 0.00 H new ATOM 589 N LYS A 49 -17.202 -1.514 3.192 1.00 0.00 N ATOM 590 CA LYS A 49 -17.813 -0.195 3.085 1.00 0.00 C ATOM 591 C LYS A 49 -16.934 0.704 2.226 1.00 0.00 C ATOM 592 O LYS A 49 -17.376 1.745 1.733 1.00 0.00 O ATOM 593 CB LYS A 49 -17.985 0.421 4.473 1.00 0.00 C ATOM 594 CG LYS A 49 -18.580 -0.525 5.494 1.00 0.00 C ATOM 595 CD LYS A 49 -18.357 -0.020 6.904 1.00 0.00 C ATOM 596 CE LYS A 49 -18.723 -1.076 7.933 1.00 0.00 C ATOM 597 NZ LYS A 49 -20.179 -1.366 7.934 1.00 0.00 N ATOM 0 H LYS A 49 -16.388 -1.555 3.806 1.00 0.00 H new ATOM 0 HA LYS A 49 -18.795 -0.293 2.621 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -17.014 0.763 4.831 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -18.623 1.301 4.393 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -19.648 -0.638 5.310 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -18.132 -1.512 5.383 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -17.313 0.266 7.029 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -18.955 0.876 7.071 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -18.170 -1.992 7.725 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -18.419 -0.738 8.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -20.388 -2.091 8.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -20.706 -0.498 8.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -20.465 -1.713 6.996 1.00 0.00 H new ATOM 611 N ILE A 50 -15.676 0.307 2.079 1.00 0.00 N ATOM 612 CA ILE A 50 -14.729 1.029 1.246 1.00 0.00 C ATOM 613 C ILE A 50 -15.071 0.859 -0.235 1.00 0.00 C ATOM 614 O ILE A 50 -15.391 -0.242 -0.691 1.00 0.00 O ATOM 615 CB ILE A 50 -13.242 0.581 1.522 1.00 0.00 C ATOM 616 CG1 ILE A 50 -12.559 1.525 2.525 1.00 0.00 C ATOM 617 CG2 ILE A 50 -12.424 0.511 0.233 1.00 0.00 C ATOM 618 CD1 ILE A 50 -13.192 1.552 3.894 1.00 0.00 C ATOM 0 H ILE A 50 -15.287 -0.520 2.532 1.00 0.00 H new ATOM 0 HA ILE A 50 -14.809 2.084 1.506 1.00 0.00 H new ATOM 0 HB ILE A 50 -13.285 -0.420 1.952 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -11.515 1.230 2.628 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -12.566 2.535 2.116 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -11.406 0.199 0.465 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -12.878 -0.209 -0.447 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -12.404 1.493 -0.239 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -12.645 2.244 4.534 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -14.229 1.878 3.809 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -13.161 0.553 4.329 1.00 0.00 H new ATOM 630 N GLU A 51 -15.017 1.956 -0.966 1.00 0.00 N ATOM 631 CA GLU A 51 -15.282 1.940 -2.388 1.00 0.00 C ATOM 632 C GLU A 51 -14.004 2.262 -3.144 1.00 0.00 C ATOM 633 O GLU A 51 -13.012 2.682 -2.544 1.00 0.00 O ATOM 634 CB GLU A 51 -16.372 2.954 -2.747 1.00 0.00 C ATOM 635 CG GLU A 51 -15.966 4.406 -2.537 1.00 0.00 C ATOM 636 CD GLU A 51 -17.000 5.380 -3.055 1.00 0.00 C ATOM 637 OE1 GLU A 51 -16.953 5.725 -4.252 1.00 0.00 O ATOM 638 OE2 GLU A 51 -17.873 5.804 -2.266 1.00 0.00 O ATOM 0 H GLU A 51 -14.789 2.877 -0.592 1.00 0.00 H new ATOM 0 HA GLU A 51 -15.633 0.947 -2.670 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -16.653 2.814 -3.791 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -17.258 2.746 -2.148 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -15.805 4.584 -1.474 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -15.016 4.590 -3.038 1.00 0.00 H new ATOM 645 N GLN A 52 -14.017 2.072 -4.445 1.00 0.00 N ATOM 646 CA GLN A 52 -12.850 2.371 -5.246 1.00 0.00 C ATOM 647 C GLN A 52 -12.852 3.825 -5.679 1.00 0.00 C ATOM 648 O GLN A 52 -13.503 4.203 -6.651 1.00 0.00 O ATOM 649 CB GLN A 52 -12.748 1.440 -6.448 1.00 0.00 C ATOM 650 CG GLN A 52 -12.446 0.001 -6.070 1.00 0.00 C ATOM 651 CD GLN A 52 -12.201 -0.875 -7.273 1.00 0.00 C ATOM 652 OE1 GLN A 52 -13.123 -1.482 -7.816 1.00 0.00 O ATOM 653 NE2 GLN A 52 -10.960 -0.942 -7.704 1.00 0.00 N ATOM 0 H GLN A 52 -14.816 1.714 -4.968 1.00 0.00 H new ATOM 0 HA GLN A 52 -11.969 2.204 -4.627 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -13.685 1.473 -7.005 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -11.967 1.804 -7.116 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -11.570 -0.024 -5.422 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -13.279 -0.402 -5.495 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -10.225 -0.422 -7.224 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -10.733 -1.513 -8.518 1.00 0.00 H new ATOM 662 N SER A 53 -12.144 4.636 -4.929 1.00 0.00 N ATOM 663 CA SER A 53 -12.040 6.045 -5.204 1.00 0.00 C ATOM 664 C SER A 53 -10.574 6.436 -5.332 1.00 0.00 C ATOM 665 O SER A 53 -9.757 6.050 -4.497 1.00 0.00 O ATOM 666 CB SER A 53 -12.711 6.846 -4.078 1.00 0.00 C ATOM 667 OG SER A 53 -12.557 8.244 -4.267 1.00 0.00 O ATOM 0 H SER A 53 -11.622 4.333 -4.107 1.00 0.00 H new ATOM 0 HA SER A 53 -12.547 6.269 -6.143 1.00 0.00 H new ATOM 0 HB2 SER A 53 -13.772 6.599 -4.037 1.00 0.00 H new ATOM 0 HB3 SER A 53 -12.280 6.558 -3.119 1.00 0.00 H new ATOM 0 HG SER A 53 -12.997 8.724 -3.534 1.00 0.00 H new ATOM 673 N PRO A 54 -10.218 7.201 -6.388 1.00 0.00 N ATOM 674 CA PRO A 54 -8.836 7.659 -6.611 1.00 0.00 C ATOM 675 C PRO A 54 -8.282 8.411 -5.402 1.00 0.00 C ATOM 676 O PRO A 54 -7.083 8.373 -5.126 1.00 0.00 O ATOM 677 CB PRO A 54 -8.960 8.602 -7.812 1.00 0.00 C ATOM 678 CG PRO A 54 -10.190 8.152 -8.518 1.00 0.00 C ATOM 679 CD PRO A 54 -11.129 7.672 -7.449 1.00 0.00 C ATOM 0 HA PRO A 54 -8.151 6.828 -6.777 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -9.044 9.641 -7.493 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -8.085 8.537 -8.459 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -10.633 8.968 -9.089 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -9.964 7.354 -9.226 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -11.780 8.472 -7.096 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -11.775 6.872 -7.810 1.00 0.00 H new ATOM 687 N GLU A 55 -9.174 9.086 -4.680 1.00 0.00 N ATOM 688 CA GLU A 55 -8.801 9.834 -3.489 1.00 0.00 C ATOM 689 C GLU A 55 -8.297 8.894 -2.400 1.00 0.00 C ATOM 690 O GLU A 55 -7.495 9.282 -1.549 1.00 0.00 O ATOM 691 CB GLU A 55 -10.001 10.624 -2.976 1.00 0.00 C ATOM 692 CG GLU A 55 -10.608 11.542 -4.019 1.00 0.00 C ATOM 693 CD GLU A 55 -11.833 12.261 -3.517 1.00 0.00 C ATOM 694 OE1 GLU A 55 -12.935 11.687 -3.595 1.00 0.00 O ATOM 695 OE2 GLU A 55 -11.704 13.402 -3.031 1.00 0.00 O ATOM 0 H GLU A 55 -10.168 9.128 -4.905 1.00 0.00 H new ATOM 0 HA GLU A 55 -7.999 10.524 -3.750 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -10.764 9.927 -2.628 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -9.695 11.217 -2.115 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -9.863 12.275 -4.330 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -10.870 10.959 -4.902 1.00 0.00 H new ATOM 702 N LEU A 56 -8.766 7.658 -2.439 1.00 0.00 N ATOM 703 CA LEU A 56 -8.354 6.658 -1.480 1.00 0.00 C ATOM 704 C LEU A 56 -7.049 6.016 -1.915 1.00 0.00 C ATOM 705 O LEU A 56 -6.181 5.765 -1.091 1.00 0.00 O ATOM 706 CB LEU A 56 -9.442 5.596 -1.295 1.00 0.00 C ATOM 707 CG LEU A 56 -10.761 6.095 -0.699 1.00 0.00 C ATOM 708 CD1 LEU A 56 -11.767 4.962 -0.601 1.00 0.00 C ATOM 709 CD2 LEU A 56 -10.529 6.716 0.671 1.00 0.00 C ATOM 0 H LEU A 56 -9.437 7.326 -3.132 1.00 0.00 H new ATOM 0 HA LEU A 56 -8.197 7.150 -0.520 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -9.651 5.143 -2.264 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -9.049 4.808 -0.653 1.00 0.00 H new ATOM 0 HG LEU A 56 -11.166 6.860 -1.362 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -12.697 5.337 -0.175 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -11.960 4.559 -1.595 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -11.367 4.175 0.038 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -11.478 7.065 1.078 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -10.099 5.971 1.340 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -9.843 7.558 0.577 1.00 0.00 H new ATOM 721 N SER A 57 -6.917 5.753 -3.215 1.00 0.00 N ATOM 722 CA SER A 57 -5.695 5.180 -3.769 1.00 0.00 C ATOM 723 C SER A 57 -4.482 6.058 -3.420 1.00 0.00 C ATOM 724 O SER A 57 -3.541 5.606 -2.769 1.00 0.00 O ATOM 725 CB SER A 57 -5.836 5.046 -5.287 1.00 0.00 C ATOM 726 OG SER A 57 -7.076 4.433 -5.623 1.00 0.00 O ATOM 0 H SER A 57 -7.647 5.930 -3.906 1.00 0.00 H new ATOM 0 HA SER A 57 -5.536 4.193 -3.335 1.00 0.00 H new ATOM 0 HB2 SER A 57 -5.773 6.030 -5.752 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.012 4.453 -5.683 1.00 0.00 H new ATOM 0 HG SER A 57 -7.150 4.357 -6.597 1.00 0.00 H new ATOM 732 N ALA A 58 -4.508 7.300 -3.894 1.00 0.00 N ATOM 733 CA ALA A 58 -3.471 8.288 -3.575 1.00 0.00 C ATOM 734 C ALA A 58 -3.123 8.305 -2.074 1.00 0.00 C ATOM 735 O ALA A 58 -1.961 8.475 -1.702 1.00 0.00 O ATOM 736 CB ALA A 58 -3.914 9.672 -4.024 1.00 0.00 C ATOM 0 H ALA A 58 -5.243 7.653 -4.507 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.569 7.999 -4.114 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -3.138 10.398 -3.783 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -4.085 9.668 -5.100 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -4.837 9.943 -3.511 1.00 0.00 H new ATOM 742 N LYS A 59 -4.126 8.106 -1.229 1.00 0.00 N ATOM 743 CA LYS A 59 -3.934 8.125 0.221 1.00 0.00 C ATOM 744 C LYS A 59 -3.354 6.798 0.746 1.00 0.00 C ATOM 745 O LYS A 59 -2.451 6.799 1.592 1.00 0.00 O ATOM 746 CB LYS A 59 -5.264 8.432 0.919 1.00 0.00 C ATOM 747 CG LYS A 59 -5.189 8.427 2.437 1.00 0.00 C ATOM 748 CD LYS A 59 -6.530 8.787 3.058 1.00 0.00 C ATOM 749 CE LYS A 59 -6.467 8.745 4.575 1.00 0.00 C ATOM 750 NZ LYS A 59 -7.758 9.128 5.191 1.00 0.00 N ATOM 0 H LYS A 59 -5.087 7.928 -1.522 1.00 0.00 H new ATOM 0 HA LYS A 59 -3.211 8.908 0.448 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -5.618 9.408 0.588 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -6.006 7.699 0.601 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -4.878 7.442 2.785 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -4.430 9.136 2.768 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -6.828 9.784 2.732 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -7.294 8.095 2.705 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -6.193 7.741 4.900 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -5.684 9.418 4.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -7.674 9.087 6.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -8.007 10.095 4.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -8.501 8.471 4.878 1.00 0.00 H new ATOM 764 N VAL A 60 -3.872 5.678 0.239 1.00 0.00 N ATOM 765 CA VAL A 60 -3.449 4.339 0.682 1.00 0.00 C ATOM 766 C VAL A 60 -1.954 4.081 0.426 1.00 0.00 C ATOM 767 O VAL A 60 -1.368 3.211 1.037 1.00 0.00 O ATOM 768 CB VAL A 60 -4.311 3.201 0.046 1.00 0.00 C ATOM 769 CG1 VAL A 60 -3.930 2.945 -1.402 1.00 0.00 C ATOM 770 CG2 VAL A 60 -4.214 1.920 0.867 1.00 0.00 C ATOM 0 H VAL A 60 -4.591 5.668 -0.485 1.00 0.00 H new ATOM 0 HA VAL A 60 -3.613 4.322 1.759 1.00 0.00 H new ATOM 0 HB VAL A 60 -5.348 3.537 0.055 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.553 2.147 -1.806 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -4.081 3.854 -1.984 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -2.882 2.650 -1.456 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -4.823 1.144 0.403 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -3.176 1.591 0.907 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -4.574 2.108 1.878 1.00 0.00 H new ATOM 780 N VAL A 61 -1.354 4.842 -0.479 1.00 0.00 N ATOM 781 CA VAL A 61 0.079 4.705 -0.743 1.00 0.00 C ATOM 782 C VAL A 61 0.853 5.845 -0.063 1.00 0.00 C ATOM 783 O VAL A 61 2.033 5.710 0.268 1.00 0.00 O ATOM 784 CB VAL A 61 0.411 4.654 -2.268 1.00 0.00 C ATOM 785 CG1 VAL A 61 0.079 5.974 -2.954 1.00 0.00 C ATOM 786 CG2 VAL A 61 1.879 4.262 -2.496 1.00 0.00 C ATOM 0 H VAL A 61 -1.826 5.553 -1.038 1.00 0.00 H new ATOM 0 HA VAL A 61 0.392 3.749 -0.322 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.216 3.885 -2.720 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.322 5.904 -4.014 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -0.984 6.187 -2.839 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.661 6.776 -2.500 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.086 4.233 -3.566 1.00 0.00 H new ATOM 0 HG22 VAL A 61 2.530 4.996 -2.020 1.00 0.00 H new ATOM 0 HG23 VAL A 61 2.064 3.279 -2.064 1.00 0.00 H new ATOM 796 N GLU A 62 0.153 6.952 0.167 1.00 0.00 N ATOM 797 CA GLU A 62 0.737 8.141 0.778 1.00 0.00 C ATOM 798 C GLU A 62 1.178 7.866 2.213 1.00 0.00 C ATOM 799 O GLU A 62 2.369 7.907 2.531 1.00 0.00 O ATOM 800 CB GLU A 62 -0.279 9.288 0.754 1.00 0.00 C ATOM 801 CG GLU A 62 0.227 10.588 1.346 1.00 0.00 C ATOM 802 CD GLU A 62 1.454 11.109 0.642 1.00 0.00 C ATOM 803 OE1 GLU A 62 1.306 11.769 -0.406 1.00 0.00 O ATOM 804 OE2 GLU A 62 2.574 10.869 1.139 1.00 0.00 O ATOM 0 H GLU A 62 -0.835 7.050 -0.065 1.00 0.00 H new ATOM 0 HA GLU A 62 1.619 8.422 0.202 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -0.582 9.467 -0.278 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.171 8.978 1.299 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.563 11.338 1.294 1.00 0.00 H new ATOM 0 HG3 GLU A 62 0.455 10.438 2.401 1.00 0.00 H new ATOM 811 N LYS A 63 0.222 7.558 3.073 1.00 0.00 N ATOM 812 CA LYS A 63 0.528 7.303 4.471 1.00 0.00 C ATOM 813 C LYS A 63 1.201 5.959 4.638 1.00 0.00 C ATOM 814 O LYS A 63 1.933 5.740 5.594 1.00 0.00 O ATOM 815 CB LYS A 63 -0.730 7.409 5.338 1.00 0.00 C ATOM 816 CG LYS A 63 -1.324 8.814 5.376 1.00 0.00 C ATOM 817 CD LYS A 63 -0.320 9.828 5.922 1.00 0.00 C ATOM 818 CE LYS A 63 -0.866 11.248 5.885 1.00 0.00 C ATOM 819 NZ LYS A 63 -2.080 11.406 6.729 1.00 0.00 N ATOM 0 H LYS A 63 -0.766 7.479 2.831 1.00 0.00 H new ATOM 0 HA LYS A 63 1.226 8.069 4.810 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.481 6.715 4.961 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.489 7.097 6.354 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -1.632 9.108 4.372 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -2.220 8.816 5.997 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -0.061 9.566 6.948 1.00 0.00 H new ATOM 0 HD3 LYS A 63 0.599 9.778 5.339 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -0.096 11.940 6.226 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -1.104 11.517 4.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -2.347 12.410 6.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -2.862 10.855 6.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -1.881 11.063 7.690 1.00 0.00 H new ATOM 833 N LEU A 64 0.960 5.076 3.681 1.00 0.00 N ATOM 834 CA LEU A 64 1.582 3.759 3.652 1.00 0.00 C ATOM 835 C LEU A 64 3.100 3.904 3.693 1.00 0.00 C ATOM 836 O LEU A 64 3.766 3.358 4.567 1.00 0.00 O ATOM 837 CB LEU A 64 1.173 3.039 2.380 1.00 0.00 C ATOM 838 CG LEU A 64 1.709 1.634 2.193 1.00 0.00 C ATOM 839 CD1 LEU A 64 0.916 0.660 3.029 1.00 0.00 C ATOM 840 CD2 LEU A 64 1.684 1.240 0.724 1.00 0.00 C ATOM 0 H LEU A 64 0.327 5.252 2.901 1.00 0.00 H new ATOM 0 HA LEU A 64 1.255 3.184 4.519 1.00 0.00 H new ATOM 0 HB2 LEU A 64 0.084 2.995 2.348 1.00 0.00 H new ATOM 0 HB3 LEU A 64 1.493 3.641 1.530 1.00 0.00 H new ATOM 0 HG LEU A 64 2.746 1.608 2.527 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.310 -0.346 2.887 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.995 0.935 4.081 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -0.130 0.687 2.724 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.073 0.228 0.612 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.659 1.278 0.355 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.302 1.932 0.151 1.00 0.00 H new ATOM 852 N ASN A 65 3.628 4.663 2.742 1.00 0.00 N ATOM 853 CA ASN A 65 5.058 4.927 2.656 1.00 0.00 C ATOM 854 C ASN A 65 5.562 5.560 3.933 1.00 0.00 C ATOM 855 O ASN A 65 6.619 5.220 4.413 1.00 0.00 O ATOM 856 CB ASN A 65 5.347 5.844 1.473 1.00 0.00 C ATOM 857 CG ASN A 65 6.778 6.359 1.441 1.00 0.00 C ATOM 858 OD1 ASN A 65 7.722 5.656 1.798 1.00 0.00 O ATOM 859 ND2 ASN A 65 6.941 7.600 1.026 1.00 0.00 N ATOM 0 H ASN A 65 3.078 5.112 2.010 1.00 0.00 H new ATOM 0 HA ASN A 65 5.576 3.979 2.512 1.00 0.00 H new ATOM 0 HB2 ASN A 65 5.142 5.306 0.548 1.00 0.00 H new ATOM 0 HB3 ASN A 65 4.664 6.693 1.506 1.00 0.00 H new ATOM 0 HD21 ASN A 65 7.875 8.008 0.993 1.00 0.00 H new ATOM 0 HD22 ASN A 65 6.133 8.152 0.738 1.00 0.00 H new ATOM 866 N GLN A 66 4.774 6.459 4.486 1.00 0.00 N ATOM 867 CA GLN A 66 5.146 7.139 5.715 1.00 0.00 C ATOM 868 C GLN A 66 5.306 6.131 6.856 1.00 0.00 C ATOM 869 O GLN A 66 6.313 6.134 7.561 1.00 0.00 O ATOM 870 CB GLN A 66 4.115 8.216 6.068 1.00 0.00 C ATOM 871 CG GLN A 66 4.637 9.643 5.909 1.00 0.00 C ATOM 872 CD GLN A 66 5.149 9.959 4.503 1.00 0.00 C ATOM 873 OE1 GLN A 66 6.084 10.737 4.340 1.00 0.00 O ATOM 874 NE2 GLN A 66 4.524 9.393 3.485 1.00 0.00 N ATOM 0 H GLN A 66 3.870 6.738 4.105 1.00 0.00 H new ATOM 0 HA GLN A 66 6.106 7.632 5.564 1.00 0.00 H new ATOM 0 HB2 GLN A 66 3.237 8.087 5.435 1.00 0.00 H new ATOM 0 HB3 GLN A 66 3.789 8.071 7.098 1.00 0.00 H new ATOM 0 HG2 GLN A 66 3.839 10.342 6.161 1.00 0.00 H new ATOM 0 HG3 GLN A 66 5.443 9.807 6.625 1.00 0.00 H new ATOM 0 HE21 GLN A 66 3.750 8.751 3.655 1.00 0.00 H new ATOM 0 HE22 GLN A 66 4.816 9.599 2.529 1.00 0.00 H new ATOM 883 N VAL A 67 4.311 5.272 7.022 1.00 0.00 N ATOM 884 CA VAL A 67 4.360 4.213 8.038 1.00 0.00 C ATOM 885 C VAL A 67 5.560 3.284 7.806 1.00 0.00 C ATOM 886 O VAL A 67 6.279 2.927 8.744 1.00 0.00 O ATOM 887 CB VAL A 67 3.058 3.369 8.041 1.00 0.00 C ATOM 888 CG1 VAL A 67 3.144 2.234 9.051 1.00 0.00 C ATOM 889 CG2 VAL A 67 1.849 4.246 8.334 1.00 0.00 C ATOM 0 H VAL A 67 3.455 5.282 6.468 1.00 0.00 H new ATOM 0 HA VAL A 67 4.464 4.705 9.005 1.00 0.00 H new ATOM 0 HB VAL A 67 2.940 2.934 7.048 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.218 1.659 9.032 1.00 0.00 H new ATOM 0 HG12 VAL A 67 3.981 1.583 8.797 1.00 0.00 H new ATOM 0 HG13 VAL A 67 3.295 2.646 10.049 1.00 0.00 H new ATOM 0 HG21 VAL A 67 0.947 3.634 8.331 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.967 4.714 9.311 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.766 5.018 7.569 1.00 0.00 H new ATOM 899 N CYS A 68 5.785 2.931 6.556 1.00 0.00 N ATOM 900 CA CYS A 68 6.875 2.030 6.196 1.00 0.00 C ATOM 901 C CYS A 68 8.203 2.779 6.086 1.00 0.00 C ATOM 902 O CYS A 68 9.243 2.190 5.808 1.00 0.00 O ATOM 903 CB CYS A 68 6.545 1.306 4.903 1.00 0.00 C ATOM 904 SG CYS A 68 4.893 0.524 4.928 1.00 0.00 S ATOM 0 H CYS A 68 5.227 3.253 5.765 1.00 0.00 H new ATOM 0 HA CYS A 68 6.987 1.291 6.989 1.00 0.00 H new ATOM 0 HB2 CYS A 68 6.595 2.012 4.074 1.00 0.00 H new ATOM 0 HB3 CYS A 68 7.300 0.542 4.717 1.00 0.00 H new ATOM 909 N ALA A 69 8.155 4.083 6.309 1.00 0.00 N ATOM 910 CA ALA A 69 9.357 4.902 6.339 1.00 0.00 C ATOM 911 C ALA A 69 9.855 4.966 7.764 1.00 0.00 C ATOM 912 O ALA A 69 11.024 5.251 8.027 1.00 0.00 O ATOM 913 CB ALA A 69 9.087 6.303 5.806 1.00 0.00 C ATOM 0 H ALA A 69 7.291 4.600 6.473 1.00 0.00 H new ATOM 0 HA ALA A 69 10.114 4.453 5.696 1.00 0.00 H new ATOM 0 HB1 ALA A 69 10.005 6.889 5.842 1.00 0.00 H new ATOM 0 HB2 ALA A 69 8.737 6.239 4.776 1.00 0.00 H new ATOM 0 HB3 ALA A 69 8.325 6.785 6.418 1.00 0.00 H new ATOM 919 N LYS A 70 8.939 4.700 8.682 1.00 0.00 N ATOM 920 CA LYS A 70 9.247 4.645 10.093 1.00 0.00 C ATOM 921 C LYS A 70 9.804 3.273 10.422 1.00 0.00 C ATOM 922 O LYS A 70 10.677 3.128 11.282 1.00 0.00 O ATOM 923 CB LYS A 70 7.982 4.906 10.917 1.00 0.00 C ATOM 924 CG LYS A 70 7.306 6.233 10.599 1.00 0.00 C ATOM 925 CD LYS A 70 5.977 6.384 11.325 1.00 0.00 C ATOM 926 CE LYS A 70 6.151 6.393 12.836 1.00 0.00 C ATOM 927 NZ LYS A 70 4.857 6.593 13.537 1.00 0.00 N ATOM 0 H LYS A 70 7.960 4.516 8.464 1.00 0.00 H new ATOM 0 HA LYS A 70 9.985 5.410 10.336 1.00 0.00 H new ATOM 0 HB2 LYS A 70 7.273 4.097 10.744 1.00 0.00 H new ATOM 0 HB3 LYS A 70 8.238 4.884 11.976 1.00 0.00 H new ATOM 0 HG2 LYS A 70 7.967 7.053 10.879 1.00 0.00 H new ATOM 0 HG3 LYS A 70 7.142 6.308 9.524 1.00 0.00 H new ATOM 0 HD2 LYS A 70 5.495 7.310 11.010 1.00 0.00 H new ATOM 0 HD3 LYS A 70 5.314 5.567 11.041 1.00 0.00 H new ATOM 0 HE2 LYS A 70 6.597 5.451 13.157 1.00 0.00 H new ATOM 0 HE3 LYS A 70 6.844 7.186 13.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 5.015 6.593 14.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 4.444 7.503 13.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 4.204 5.823 13.288 1.00 0.00 H new ATOM 941 N ASP A 71 9.307 2.268 9.702 1.00 0.00 N ATOM 942 CA ASP A 71 9.738 0.885 9.872 1.00 0.00 C ATOM 943 C ASP A 71 9.851 0.227 8.501 1.00 0.00 C ATOM 944 O ASP A 71 8.879 -0.328 7.991 1.00 0.00 O ATOM 945 CB ASP A 71 8.742 0.094 10.738 1.00 0.00 C ATOM 946 CG ASP A 71 8.633 0.606 12.155 1.00 0.00 C ATOM 947 OD1 ASP A 71 9.464 0.214 12.997 1.00 0.00 O ATOM 948 OD2 ASP A 71 7.700 1.392 12.443 1.00 0.00 O ATOM 0 H ASP A 71 8.593 2.392 8.984 1.00 0.00 H new ATOM 0 HA ASP A 71 10.705 0.882 10.376 1.00 0.00 H new ATOM 0 HB2 ASP A 71 7.758 0.131 10.271 1.00 0.00 H new ATOM 0 HB3 ASP A 71 9.045 -0.953 10.761 1.00 0.00 H new ATOM 953 N PRO A 72 11.034 0.305 7.873 1.00 0.00 N ATOM 954 CA PRO A 72 11.267 -0.241 6.521 1.00 0.00 C ATOM 955 C PRO A 72 11.080 -1.757 6.438 1.00 0.00 C ATOM 956 O PRO A 72 10.887 -2.300 5.358 1.00 0.00 O ATOM 957 CB PRO A 72 12.729 0.128 6.228 1.00 0.00 C ATOM 958 CG PRO A 72 13.039 1.234 7.177 1.00 0.00 C ATOM 959 CD PRO A 72 12.242 0.946 8.410 1.00 0.00 C ATOM 0 HA PRO A 72 10.551 0.165 5.806 1.00 0.00 H new ATOM 0 HB2 PRO A 72 13.391 -0.724 6.383 1.00 0.00 H new ATOM 0 HB3 PRO A 72 12.857 0.447 5.194 1.00 0.00 H new ATOM 0 HG2 PRO A 72 14.105 1.271 7.400 1.00 0.00 H new ATOM 0 HG3 PRO A 72 12.768 2.201 6.753 1.00 0.00 H new ATOM 0 HD2 PRO A 72 12.779 0.289 9.094 1.00 0.00 H new ATOM 0 HD3 PRO A 72 12.006 1.856 8.961 1.00 0.00 H new ATOM 967 N GLN A 73 11.143 -2.434 7.577 1.00 0.00 N ATOM 968 CA GLN A 73 10.992 -3.888 7.620 1.00 0.00 C ATOM 969 C GLN A 73 9.542 -4.302 7.400 1.00 0.00 C ATOM 970 O GLN A 73 9.246 -5.476 7.165 1.00 0.00 O ATOM 971 CB GLN A 73 11.492 -4.452 8.961 1.00 0.00 C ATOM 972 CG GLN A 73 12.967 -4.193 9.239 1.00 0.00 C ATOM 973 CD GLN A 73 13.271 -2.735 9.541 1.00 0.00 C ATOM 974 OE1 GLN A 73 12.449 -2.017 10.112 1.00 0.00 O ATOM 975 NE2 GLN A 73 14.431 -2.287 9.128 1.00 0.00 N ATOM 0 H GLN A 73 11.298 -2.001 8.487 1.00 0.00 H new ATOM 0 HA GLN A 73 11.597 -4.300 6.812 1.00 0.00 H new ATOM 0 HB2 GLN A 73 10.901 -4.018 9.767 1.00 0.00 H new ATOM 0 HB3 GLN A 73 11.314 -5.527 8.978 1.00 0.00 H new ATOM 0 HG2 GLN A 73 13.284 -4.806 10.082 1.00 0.00 H new ATOM 0 HG3 GLN A 73 13.554 -4.509 8.377 1.00 0.00 H new ATOM 0 HE21 GLN A 73 15.083 -2.916 8.659 1.00 0.00 H new ATOM 0 HE22 GLN A 73 14.682 -1.309 9.275 1.00 0.00 H new ATOM 984 N MET A 74 8.646 -3.345 7.491 1.00 0.00 N ATOM 985 CA MET A 74 7.228 -3.614 7.304 1.00 0.00 C ATOM 986 C MET A 74 6.886 -3.786 5.830 1.00 0.00 C ATOM 987 O MET A 74 6.958 -2.835 5.046 1.00 0.00 O ATOM 988 CB MET A 74 6.365 -2.507 7.919 1.00 0.00 C ATOM 989 CG MET A 74 6.425 -2.450 9.438 1.00 0.00 C ATOM 990 SD MET A 74 5.345 -1.177 10.138 1.00 0.00 S ATOM 991 CE MET A 74 3.737 -1.740 9.578 1.00 0.00 C ATOM 0 H MET A 74 8.869 -2.371 7.693 1.00 0.00 H new ATOM 0 HA MET A 74 7.008 -4.549 7.820 1.00 0.00 H new ATOM 0 HB2 MET A 74 6.684 -1.546 7.516 1.00 0.00 H new ATOM 0 HB3 MET A 74 5.330 -2.654 7.611 1.00 0.00 H new ATOM 0 HG2 MET A 74 6.144 -3.422 9.844 1.00 0.00 H new ATOM 0 HG3 MET A 74 7.452 -2.259 9.749 1.00 0.00 H new ATOM 0 HE1 MET A 74 2.960 -1.307 10.208 1.00 0.00 H new ATOM 0 HE2 MET A 74 3.582 -1.428 8.545 1.00 0.00 H new ATOM 0 HE3 MET A 74 3.690 -2.827 9.640 1.00 0.00 H new ATOM 1001 N LEU A 75 6.527 -5.011 5.456 1.00 0.00 N ATOM 1002 CA LEU A 75 6.114 -5.305 4.089 1.00 0.00 C ATOM 1003 C LEU A 75 4.818 -4.573 3.794 1.00 0.00 C ATOM 1004 O LEU A 75 3.951 -4.463 4.667 1.00 0.00 O ATOM 1005 CB LEU A 75 5.901 -6.824 3.878 1.00 0.00 C ATOM 1006 CG LEU A 75 7.128 -7.742 4.053 1.00 0.00 C ATOM 1007 CD1 LEU A 75 8.341 -7.183 3.333 1.00 0.00 C ATOM 1008 CD2 LEU A 75 7.434 -7.991 5.525 1.00 0.00 C ATOM 0 H LEU A 75 6.514 -5.816 6.082 1.00 0.00 H new ATOM 0 HA LEU A 75 6.903 -4.974 3.413 1.00 0.00 H new ATOM 0 HB2 LEU A 75 5.130 -7.156 4.573 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.509 -6.973 2.872 1.00 0.00 H new ATOM 0 HG LEU A 75 6.882 -8.702 3.599 1.00 0.00 H new ATOM 0 HD11 LEU A 75 9.189 -7.853 3.475 1.00 0.00 H new ATOM 0 HD12 LEU A 75 8.123 -7.094 2.269 1.00 0.00 H new ATOM 0 HD13 LEU A 75 8.583 -6.200 3.737 1.00 0.00 H new ATOM 0 HD21 LEU A 75 8.304 -8.642 5.611 1.00 0.00 H new ATOM 0 HD22 LEU A 75 7.640 -7.042 6.019 1.00 0.00 H new ATOM 0 HD23 LEU A 75 6.576 -8.468 5.999 1.00 0.00 H new ATOM 1020 N LEU A 76 4.665 -4.088 2.569 1.00 0.00 N ATOM 1021 CA LEU A 76 3.468 -3.336 2.213 1.00 0.00 C ATOM 1022 C LEU A 76 2.218 -4.196 2.302 1.00 0.00 C ATOM 1023 O LEU A 76 1.124 -3.685 2.475 1.00 0.00 O ATOM 1024 CB LEU A 76 3.606 -2.662 0.830 1.00 0.00 C ATOM 1025 CG LEU A 76 3.972 -3.555 -0.372 1.00 0.00 C ATOM 1026 CD1 LEU A 76 2.782 -4.379 -0.838 1.00 0.00 C ATOM 1027 CD2 LEU A 76 4.502 -2.704 -1.512 1.00 0.00 C ATOM 0 H LEU A 76 5.343 -4.199 1.815 1.00 0.00 H new ATOM 0 HA LEU A 76 3.359 -2.537 2.947 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.662 -2.166 0.604 1.00 0.00 H new ATOM 0 HB3 LEU A 76 4.364 -1.883 0.911 1.00 0.00 H new ATOM 0 HG LEU A 76 4.749 -4.248 -0.050 1.00 0.00 H new ATOM 0 HD11 LEU A 76 3.077 -4.996 -1.687 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.442 -5.019 -0.024 1.00 0.00 H new ATOM 0 HD13 LEU A 76 1.973 -3.713 -1.138 1.00 0.00 H new ATOM 0 HD21 LEU A 76 4.758 -3.345 -2.356 1.00 0.00 H new ATOM 0 HD22 LEU A 76 3.738 -1.989 -1.818 1.00 0.00 H new ATOM 0 HD23 LEU A 76 5.391 -2.167 -1.182 1.00 0.00 H new ATOM 1039 N ILE A 77 2.405 -5.507 2.215 1.00 0.00 N ATOM 1040 CA ILE A 77 1.301 -6.454 2.290 1.00 0.00 C ATOM 1041 C ILE A 77 0.487 -6.241 3.564 1.00 0.00 C ATOM 1042 O ILE A 77 -0.737 -6.124 3.518 1.00 0.00 O ATOM 1043 CB ILE A 77 1.815 -7.913 2.259 1.00 0.00 C ATOM 1044 CG1 ILE A 77 2.660 -8.165 0.998 1.00 0.00 C ATOM 1045 CG2 ILE A 77 0.652 -8.896 2.340 1.00 0.00 C ATOM 1046 CD1 ILE A 77 1.917 -7.947 -0.308 1.00 0.00 C ATOM 0 H ILE A 77 3.320 -5.941 2.091 1.00 0.00 H new ATOM 0 HA ILE A 77 0.667 -6.279 1.421 1.00 0.00 H new ATOM 0 HB ILE A 77 2.452 -8.070 3.130 1.00 0.00 H new ATOM 0 HG12 ILE A 77 3.530 -7.509 1.021 1.00 0.00 H new ATOM 0 HG13 ILE A 77 3.033 -9.189 1.024 1.00 0.00 H new ATOM 0 HG21 ILE A 77 1.035 -9.916 2.317 1.00 0.00 H new ATOM 0 HG22 ILE A 77 0.104 -8.736 3.268 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -0.016 -8.740 1.493 1.00 0.00 H new ATOM 0 HD11 ILE A 77 2.586 -8.146 -1.145 1.00 0.00 H new ATOM 0 HD12 ILE A 77 1.063 -8.622 -0.358 1.00 0.00 H new ATOM 0 HD13 ILE A 77 1.568 -6.916 -0.360 1.00 0.00 H new ATOM 1058 N THR A 78 1.173 -6.166 4.690 1.00 0.00 N ATOM 1059 CA THR A 78 0.495 -5.993 5.962 1.00 0.00 C ATOM 1060 C THR A 78 0.200 -4.519 6.225 1.00 0.00 C ATOM 1061 O THR A 78 -0.785 -4.178 6.882 1.00 0.00 O ATOM 1062 CB THR A 78 1.306 -6.601 7.144 1.00 0.00 C ATOM 1063 OG1 THR A 78 0.590 -6.427 8.375 1.00 0.00 O ATOM 1064 CG2 THR A 78 2.685 -5.960 7.264 1.00 0.00 C ATOM 0 H THR A 78 2.190 -6.222 4.750 1.00 0.00 H new ATOM 0 HA THR A 78 -0.449 -6.535 5.896 1.00 0.00 H new ATOM 0 HB THR A 78 1.438 -7.664 6.941 1.00 0.00 H new ATOM 0 HG1 THR A 78 1.107 -6.814 9.112 1.00 0.00 H new ATOM 0 HG21 THR A 78 3.223 -6.408 8.099 1.00 0.00 H new ATOM 0 HG22 THR A 78 3.244 -6.124 6.342 1.00 0.00 H new ATOM 0 HG23 THR A 78 2.575 -4.889 7.436 1.00 0.00 H new ATOM 1072 N ALA A 79 1.047 -3.651 5.697 1.00 0.00 N ATOM 1073 CA ALA A 79 0.882 -2.222 5.876 1.00 0.00 C ATOM 1074 C ALA A 79 -0.425 -1.717 5.253 1.00 0.00 C ATOM 1075 O ALA A 79 -1.088 -0.857 5.826 1.00 0.00 O ATOM 1076 CB ALA A 79 2.078 -1.482 5.321 1.00 0.00 C ATOM 0 H ALA A 79 1.859 -3.915 5.139 1.00 0.00 H new ATOM 0 HA ALA A 79 0.819 -2.023 6.946 1.00 0.00 H new ATOM 0 HB1 ALA A 79 1.940 -0.410 5.462 1.00 0.00 H new ATOM 0 HB2 ALA A 79 2.979 -1.804 5.843 1.00 0.00 H new ATOM 0 HB3 ALA A 79 2.178 -1.698 4.257 1.00 0.00 H new ATOM 1082 N ILE A 80 -0.793 -2.263 4.084 1.00 0.00 N ATOM 1083 CA ILE A 80 -2.055 -1.890 3.423 1.00 0.00 C ATOM 1084 C ILE A 80 -3.234 -2.241 4.331 1.00 0.00 C ATOM 1085 O ILE A 80 -4.186 -1.465 4.475 1.00 0.00 O ATOM 1086 CB ILE A 80 -2.238 -2.629 2.064 1.00 0.00 C ATOM 1087 CG1 ILE A 80 -1.089 -2.320 1.095 1.00 0.00 C ATOM 1088 CG2 ILE A 80 -3.569 -2.254 1.426 1.00 0.00 C ATOM 1089 CD1 ILE A 80 -1.165 -0.952 0.452 1.00 0.00 C ATOM 0 H ILE A 80 -0.242 -2.958 3.580 1.00 0.00 H new ATOM 0 HA ILE A 80 -2.020 -0.817 3.232 1.00 0.00 H new ATOM 0 HB ILE A 80 -2.229 -3.699 2.271 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -0.144 -2.404 1.632 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -1.078 -3.077 0.311 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -3.679 -2.780 0.478 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -4.384 -2.534 2.093 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -3.598 -1.179 1.250 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -0.315 -0.817 -0.217 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -2.091 -0.868 -0.116 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -1.143 -0.185 1.226 1.00 0.00 H new ATOM 1101 N ASP A 81 -3.152 -3.414 4.950 1.00 0.00 N ATOM 1102 CA ASP A 81 -4.184 -3.876 5.871 1.00 0.00 C ATOM 1103 C ASP A 81 -4.265 -2.933 7.061 1.00 0.00 C ATOM 1104 O ASP A 81 -5.351 -2.584 7.526 1.00 0.00 O ATOM 1105 CB ASP A 81 -3.870 -5.299 6.344 1.00 0.00 C ATOM 1106 CG ASP A 81 -4.955 -5.896 7.226 1.00 0.00 C ATOM 1107 OD1 ASP A 81 -5.937 -6.442 6.677 1.00 0.00 O ATOM 1108 OD2 ASP A 81 -4.815 -5.849 8.467 1.00 0.00 O ATOM 0 H ASP A 81 -2.376 -4.065 4.829 1.00 0.00 H new ATOM 0 HA ASP A 81 -5.145 -3.885 5.357 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -3.726 -5.940 5.474 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -2.929 -5.292 6.893 1.00 0.00 H new ATOM 1113 N ASP A 82 -3.103 -2.493 7.528 1.00 0.00 N ATOM 1114 CA ASP A 82 -3.023 -1.555 8.642 1.00 0.00 C ATOM 1115 C ASP A 82 -3.685 -0.226 8.289 1.00 0.00 C ATOM 1116 O ASP A 82 -4.262 0.436 9.159 1.00 0.00 O ATOM 1117 CB ASP A 82 -1.566 -1.322 9.062 1.00 0.00 C ATOM 1118 CG ASP A 82 -1.435 -0.255 10.134 1.00 0.00 C ATOM 1119 OD1 ASP A 82 -1.833 -0.511 11.287 1.00 0.00 O ATOM 1120 OD2 ASP A 82 -0.932 0.851 9.827 1.00 0.00 O ATOM 0 H ASP A 82 -2.198 -2.773 7.150 1.00 0.00 H new ATOM 0 HA ASP A 82 -3.560 -1.997 9.482 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -1.143 -2.257 9.430 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -0.982 -1.030 8.189 1.00 0.00 H new ATOM 1125 N THR A 83 -3.633 0.153 7.009 1.00 0.00 N ATOM 1126 CA THR A 83 -4.230 1.393 6.567 1.00 0.00 C ATOM 1127 C THR A 83 -5.748 1.345 6.737 1.00 0.00 C ATOM 1128 O THR A 83 -6.349 2.279 7.267 1.00 0.00 O ATOM 1129 CB THR A 83 -3.898 1.675 5.086 1.00 0.00 C ATOM 1130 OG1 THR A 83 -2.495 1.499 4.861 1.00 0.00 O ATOM 1131 CG2 THR A 83 -4.292 3.097 4.705 1.00 0.00 C ATOM 0 H THR A 83 -3.182 -0.387 6.271 1.00 0.00 H new ATOM 0 HA THR A 83 -3.816 2.193 7.181 1.00 0.00 H new ATOM 0 HB THR A 83 -4.463 0.975 4.470 1.00 0.00 H new ATOM 0 HG1 THR A 83 -2.235 0.589 5.114 1.00 0.00 H new ATOM 0 HG21 THR A 83 -4.049 3.274 3.657 1.00 0.00 H new ATOM 0 HG22 THR A 83 -5.363 3.231 4.857 1.00 0.00 H new ATOM 0 HG23 THR A 83 -3.746 3.805 5.328 1.00 0.00 H new ATOM 1139 N MET A 84 -6.364 0.232 6.326 1.00 0.00 N ATOM 1140 CA MET A 84 -7.819 0.110 6.414 1.00 0.00 C ATOM 1141 C MET A 84 -8.259 -0.027 7.864 1.00 0.00 C ATOM 1142 O MET A 84 -9.344 0.418 8.238 1.00 0.00 O ATOM 1143 CB MET A 84 -8.353 -1.051 5.549 1.00 0.00 C ATOM 1144 CG MET A 84 -8.064 -2.455 6.073 1.00 0.00 C ATOM 1145 SD MET A 84 -9.270 -3.009 7.298 1.00 0.00 S ATOM 1146 CE MET A 84 -8.653 -4.650 7.654 1.00 0.00 C ATOM 0 H MET A 84 -5.888 -0.582 5.937 1.00 0.00 H new ATOM 0 HA MET A 84 -8.253 1.026 6.013 1.00 0.00 H new ATOM 0 HB2 MET A 84 -9.432 -0.937 5.446 1.00 0.00 H new ATOM 0 HB3 MET A 84 -7.926 -0.961 4.550 1.00 0.00 H new ATOM 0 HG2 MET A 84 -8.055 -3.155 5.237 1.00 0.00 H new ATOM 0 HG3 MET A 84 -7.068 -2.474 6.516 1.00 0.00 H new ATOM 0 HE1 MET A 84 -9.179 -5.057 8.517 1.00 0.00 H new ATOM 0 HE2 MET A 84 -8.817 -5.296 6.791 1.00 0.00 H new ATOM 0 HE3 MET A 84 -7.586 -4.598 7.871 1.00 0.00 H new ATOM 1156 N ARG A 85 -7.404 -0.631 8.681 1.00 0.00 N ATOM 1157 CA ARG A 85 -7.676 -0.759 10.101 1.00 0.00 C ATOM 1158 C ARG A 85 -7.678 0.617 10.739 1.00 0.00 C ATOM 1159 O ARG A 85 -8.555 0.944 11.539 1.00 0.00 O ATOM 1160 CB ARG A 85 -6.635 -1.651 10.772 1.00 0.00 C ATOM 1161 CG ARG A 85 -6.671 -3.093 10.303 1.00 0.00 C ATOM 1162 CD ARG A 85 -5.586 -3.924 10.963 1.00 0.00 C ATOM 1163 NE ARG A 85 -5.670 -3.887 12.424 1.00 0.00 N ATOM 1164 CZ ARG A 85 -6.291 -4.803 13.170 1.00 0.00 C ATOM 1165 NH1 ARG A 85 -6.943 -5.810 12.590 1.00 0.00 N ATOM 1166 NH2 ARG A 85 -6.261 -4.705 14.496 1.00 0.00 N ATOM 0 H ARG A 85 -6.518 -1.038 8.381 1.00 0.00 H new ATOM 0 HA ARG A 85 -8.654 -1.222 10.234 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -5.643 -1.242 10.582 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -6.789 -1.626 11.851 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -7.647 -3.524 10.527 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -6.548 -3.127 9.221 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -5.665 -4.957 10.623 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -4.609 -3.558 10.648 1.00 0.00 H new ATOM 0 HE ARG A 85 -5.223 -3.107 12.905 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -6.969 -5.882 11.573 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -7.417 -6.508 13.163 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -5.765 -3.932 14.939 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -6.734 -5.403 15.070 1.00 0.00 H new ATOM 1180 N ALA A 86 -6.685 1.424 10.371 1.00 0.00 N ATOM 1181 CA ALA A 86 -6.584 2.793 10.844 1.00 0.00 C ATOM 1182 C ALA A 86 -7.786 3.617 10.394 1.00 0.00 C ATOM 1183 O ALA A 86 -8.234 4.515 11.111 1.00 0.00 O ATOM 1184 CB ALA A 86 -5.292 3.430 10.352 1.00 0.00 C ATOM 0 H ALA A 86 -5.934 1.144 9.740 1.00 0.00 H new ATOM 0 HA ALA A 86 -6.574 2.775 11.934 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -5.231 4.456 10.715 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -4.441 2.862 10.726 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -5.278 3.429 9.262 1.00 0.00 H new ATOM 1190 N ILE A 87 -8.290 3.318 9.201 1.00 0.00 N ATOM 1191 CA ILE A 87 -9.464 4.001 8.663 1.00 0.00 C ATOM 1192 C ILE A 87 -10.708 3.650 9.475 1.00 0.00 C ATOM 1193 O ILE A 87 -11.443 4.542 9.904 1.00 0.00 O ATOM 1194 CB ILE A 87 -9.704 3.642 7.169 1.00 0.00 C ATOM 1195 CG1 ILE A 87 -8.558 4.171 6.301 1.00 0.00 C ATOM 1196 CG2 ILE A 87 -11.043 4.197 6.685 1.00 0.00 C ATOM 1197 CD1 ILE A 87 -8.678 3.804 4.836 1.00 0.00 C ATOM 0 H ILE A 87 -7.902 2.604 8.585 1.00 0.00 H new ATOM 0 HA ILE A 87 -9.273 5.072 8.733 1.00 0.00 H new ATOM 0 HB ILE A 87 -9.734 2.556 7.080 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -8.518 5.256 6.391 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -7.615 3.784 6.686 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -11.189 3.933 5.637 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -11.850 3.772 7.282 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -11.046 5.282 6.790 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -7.830 4.214 4.288 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -8.687 2.719 4.732 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -9.604 4.214 4.433 1.00 0.00 H new ATOM 1209 N GLY A 88 -10.902 2.339 9.707 1.00 0.00 N ATOM 1210 CA GLY A 88 -12.058 1.836 10.448 1.00 0.00 C ATOM 1211 C GLY A 88 -13.357 2.537 10.101 1.00 0.00 C ATOM 1212 O GLY A 88 -13.960 3.189 10.960 1.00 0.00 O ATOM 0 H GLY A 88 -10.265 1.610 9.387 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -12.168 0.769 10.252 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -11.870 1.946 11.516 1.00 0.00 H new