USER MOD reduce.3.24.130724 H: found=0, std=0, add=649, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 650 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 56 GLN : amide:sc= -1.9! C(o=0.33!,f=-12!) USER MOD Set 1.2: A 58 LYS NZ :NH3+ -176:sc= 2.23 (180deg=2.35) USER MOD Set 2.1: A 41 THR OG1 : rot 180:sc= -0.0107 USER MOD Set 2.2: A 46 MET CE :methyl -157:sc= -1.75 (180deg=-2.99!) USER MOD Set 3.1: A 26 MET CE :methyl -161:sc= -2.77 (180deg=-3.66!) USER MOD Set 3.2: A 27 SER OG : rot 180:sc= 0.0167 USER MOD Set 4.1: A 11 THR OG1 : rot 180:sc= -0.114 USER MOD Set 4.2: A 14 THR OG1 : rot 180:sc= -0.472 USER MOD Set 5.1: A 10 THR OG1 : rot 106:sc= -0.235 USER MOD Set 5.2: A 49 GLN : amide:sc= -1.98 K(o=-3.5,f=-5.1!) USER MOD Set 5.3: A 80 HIS : no HD1:sc= -1.33 K(o=-3.5,f=-2) USER MOD Single : A 5 TYR OH : rot 30:sc= -1.12! USER MOD Single : A 12 ASN : amide:sc= 0.412 K(o=0.41,f=-8!) USER MOD Single : A 18 MET CE :methyl -127:sc= 0 (180deg=-2.04!) USER MOD Single : A 20 LYS NZ :NH3+ 171:sc= -0.0109 (180deg=-0.101) USER MOD Single : A 21 LYS NZ :NH3+ 143:sc= -0.831 (180deg=-2.34!) USER MOD Single : A 22 TYR OH : rot 180:sc= -0.0381 USER MOD Single : A 29 ASN : amide:sc= -0.682 K(o=-0.68,f=-2.7!) USER MOD Single : A 32 LYS NZ :NH3+ -172:sc= 0.973 (180deg=0.918) USER MOD Single : A 33 LYS NZ :NH3+ 153:sc= 0.551 (180deg=0.0679) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 108:sc= 0.00548 USER MOD Single : A 62 THR OG1 : rot -11:sc= 1.2 USER MOD Single : A 66 LYS NZ :NH3+ 172:sc= 1.21 (180deg=1.19) USER MOD Single : A 67 SER OG : rot 180:sc= 0.0463 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 32 N GLU A 3 -15.320 0.903 -5.257 1.00 0.00 N ATOM 33 CA GLU A 3 -14.427 -0.025 -5.855 1.00 0.00 C ATOM 34 C GLU A 3 -13.823 -0.852 -4.793 1.00 0.00 C ATOM 35 O GLU A 3 -13.665 -0.385 -3.682 1.00 0.00 O ATOM 36 CB GLU A 3 -13.321 0.663 -6.619 1.00 0.00 C ATOM 37 CG GLU A 3 -13.753 1.358 -7.878 1.00 0.00 C ATOM 38 CD GLU A 3 -14.560 2.621 -7.667 1.00 0.00 C ATOM 39 OE1 GLU A 3 -14.038 3.576 -7.048 1.00 0.00 O ATOM 40 OE2 GLU A 3 -15.714 2.692 -8.176 1.00 0.00 O ATOM 0 HA GLU A 3 -14.995 -0.633 -6.559 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -12.848 1.394 -5.963 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -12.562 -0.076 -6.873 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -12.866 1.605 -8.462 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -14.344 0.663 -8.475 1.00 0.00 H new ATOM 47 N VAL A 4 -13.489 -2.051 -5.103 1.00 0.00 N ATOM 48 CA VAL A 4 -12.875 -2.931 -4.156 1.00 0.00 C ATOM 49 C VAL A 4 -11.671 -3.601 -4.769 1.00 0.00 C ATOM 50 O VAL A 4 -11.680 -3.979 -5.944 1.00 0.00 O ATOM 51 CB VAL A 4 -13.853 -3.999 -3.576 1.00 0.00 C ATOM 52 CG1 VAL A 4 -14.946 -3.347 -2.745 1.00 0.00 C ATOM 53 CG2 VAL A 4 -14.471 -4.830 -4.686 1.00 0.00 C ATOM 0 H VAL A 4 -13.632 -2.460 -6.026 1.00 0.00 H new ATOM 0 HA VAL A 4 -12.564 -2.311 -3.315 1.00 0.00 H new ATOM 0 HB VAL A 4 -13.273 -4.657 -2.929 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -15.613 -4.115 -2.354 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -14.496 -2.801 -1.916 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -15.514 -2.657 -3.369 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -15.149 -5.567 -4.255 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -15.025 -4.179 -5.362 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -13.683 -5.341 -5.239 1.00 0.00 H new ATOM 63 N TYR A 5 -10.649 -3.703 -4.001 1.00 0.00 N ATOM 64 CA TYR A 5 -9.429 -4.330 -4.412 1.00 0.00 C ATOM 65 C TYR A 5 -9.100 -5.487 -3.507 1.00 0.00 C ATOM 66 O TYR A 5 -9.362 -5.439 -2.303 1.00 0.00 O ATOM 67 CB TYR A 5 -8.255 -3.311 -4.438 1.00 0.00 C ATOM 68 CG TYR A 5 -8.027 -2.545 -3.131 1.00 0.00 C ATOM 69 CD1 TYR A 5 -7.574 -3.180 -1.983 1.00 0.00 C ATOM 70 CD2 TYR A 5 -8.257 -1.190 -3.057 1.00 0.00 C ATOM 71 CE1 TYR A 5 -7.367 -2.497 -0.815 1.00 0.00 C ATOM 72 CE2 TYR A 5 -8.046 -0.503 -1.880 1.00 0.00 C ATOM 73 CZ TYR A 5 -7.607 -1.160 -0.771 1.00 0.00 C ATOM 74 OH TYR A 5 -7.415 -0.461 0.399 1.00 0.00 O ATOM 0 H TYR A 5 -10.628 -3.347 -3.045 1.00 0.00 H new ATOM 0 HA TYR A 5 -9.570 -4.707 -5.425 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -7.339 -3.843 -4.693 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -8.438 -2.591 -5.235 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -7.380 -4.242 -2.012 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -8.606 -0.659 -3.930 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -7.016 -3.016 0.064 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -8.230 0.560 -1.838 1.00 0.00 H new ATOM 0 HH TYR A 5 -6.704 -0.887 0.922 1.00 0.00 H new ATOM 84 N ASP A 6 -8.609 -6.532 -4.081 1.00 0.00 N ATOM 85 CA ASP A 6 -8.053 -7.608 -3.310 1.00 0.00 C ATOM 86 C ASP A 6 -6.588 -7.478 -3.392 1.00 0.00 C ATOM 87 O ASP A 6 -6.012 -7.416 -4.500 1.00 0.00 O ATOM 88 CB ASP A 6 -8.471 -8.986 -3.794 1.00 0.00 C ATOM 89 CG ASP A 6 -9.933 -9.277 -3.594 1.00 0.00 C ATOM 90 OD1 ASP A 6 -10.747 -8.941 -4.472 1.00 0.00 O ATOM 91 OD2 ASP A 6 -10.297 -9.863 -2.558 1.00 0.00 O ATOM 0 H ASP A 6 -8.578 -6.671 -5.091 1.00 0.00 H new ATOM 0 HA ASP A 6 -8.425 -7.530 -2.289 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -8.233 -9.077 -4.854 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -7.884 -9.740 -3.269 1.00 0.00 H new ATOM 96 N LEU A 7 -5.983 -7.387 -2.276 1.00 0.00 N ATOM 97 CA LEU A 7 -4.584 -7.225 -2.192 1.00 0.00 C ATOM 98 C LEU A 7 -3.988 -8.304 -1.377 1.00 0.00 C ATOM 99 O LEU A 7 -4.652 -8.898 -0.516 1.00 0.00 O ATOM 100 CB LEU A 7 -4.224 -5.883 -1.579 1.00 0.00 C ATOM 101 CG LEU A 7 -4.569 -4.634 -2.381 1.00 0.00 C ATOM 102 CD1 LEU A 7 -4.148 -3.395 -1.623 1.00 0.00 C ATOM 103 CD2 LEU A 7 -3.908 -4.662 -3.743 1.00 0.00 C ATOM 0 H LEU A 7 -6.454 -7.423 -1.372 1.00 0.00 H new ATOM 0 HA LEU A 7 -4.186 -7.269 -3.206 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -4.720 -5.810 -0.611 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -3.151 -5.876 -1.389 1.00 0.00 H new ATOM 0 HG LEU A 7 -5.649 -4.612 -2.528 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -4.400 -2.509 -2.206 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -4.668 -3.360 -0.666 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -3.072 -3.422 -1.450 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -4.171 -3.759 -4.294 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -2.826 -4.710 -3.621 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -4.250 -5.537 -4.296 1.00 0.00 H new ATOM 115 N GLU A 8 -2.752 -8.551 -1.626 1.00 0.00 N ATOM 116 CA GLU A 8 -2.019 -9.510 -0.899 1.00 0.00 C ATOM 117 C GLU A 8 -1.036 -8.749 -0.060 1.00 0.00 C ATOM 118 O GLU A 8 -0.145 -8.069 -0.564 1.00 0.00 O ATOM 119 CB GLU A 8 -1.341 -10.444 -1.878 1.00 0.00 C ATOM 120 CG GLU A 8 -0.583 -11.584 -1.264 1.00 0.00 C ATOM 121 CD GLU A 8 -0.036 -12.532 -2.302 1.00 0.00 C ATOM 122 OE1 GLU A 8 -0.819 -13.317 -2.864 1.00 0.00 O ATOM 123 OE2 GLU A 8 1.180 -12.522 -2.560 1.00 0.00 O ATOM 0 H GLU A 8 -2.216 -8.081 -2.356 1.00 0.00 H new ATOM 0 HA GLU A 8 -2.645 -10.123 -0.251 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -2.098 -10.853 -2.547 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -0.653 -9.862 -2.492 1.00 0.00 H new ATOM 0 HG2 GLU A 8 0.239 -11.191 -0.665 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -1.239 -12.130 -0.586 1.00 0.00 H new ATOM 130 N ILE A 9 -1.234 -8.828 1.201 1.00 0.00 N ATOM 131 CA ILE A 9 -0.477 -8.071 2.145 1.00 0.00 C ATOM 132 C ILE A 9 0.660 -8.905 2.670 1.00 0.00 C ATOM 133 O ILE A 9 0.478 -10.073 3.025 1.00 0.00 O ATOM 134 CB ILE A 9 -1.367 -7.622 3.344 1.00 0.00 C ATOM 135 CG1 ILE A 9 -2.646 -6.892 2.864 1.00 0.00 C ATOM 136 CG2 ILE A 9 -0.578 -6.741 4.314 1.00 0.00 C ATOM 137 CD1 ILE A 9 -2.399 -5.639 2.044 1.00 0.00 C ATOM 0 H ILE A 9 -1.940 -9.431 1.623 1.00 0.00 H new ATOM 0 HA ILE A 9 -0.093 -7.186 1.638 1.00 0.00 H new ATOM 0 HB ILE A 9 -1.677 -8.524 3.872 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -3.241 -7.586 2.270 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -3.243 -6.626 3.736 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -1.223 -6.442 5.141 1.00 0.00 H new ATOM 0 HG22 ILE A 9 0.274 -7.299 4.702 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -0.222 -5.853 3.792 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -3.354 -5.199 1.755 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -1.834 -4.921 2.638 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -1.832 -5.896 1.149 1.00 0.00 H new ATOM 149 N THR A 10 1.805 -8.320 2.702 1.00 0.00 N ATOM 150 CA THR A 10 2.976 -8.934 3.230 1.00 0.00 C ATOM 151 C THR A 10 3.538 -8.056 4.297 1.00 0.00 C ATOM 152 O THR A 10 3.225 -6.862 4.370 1.00 0.00 O ATOM 153 CB THR A 10 4.046 -9.161 2.153 1.00 0.00 C ATOM 154 OG1 THR A 10 4.279 -7.946 1.430 1.00 0.00 O ATOM 155 CG2 THR A 10 3.655 -10.266 1.212 1.00 0.00 C ATOM 0 H THR A 10 1.959 -7.374 2.352 1.00 0.00 H new ATOM 0 HA THR A 10 2.695 -9.909 3.629 1.00 0.00 H new ATOM 0 HB THR A 10 4.968 -9.463 2.651 1.00 0.00 H new ATOM 0 HG1 THR A 10 5.137 -7.561 1.705 1.00 0.00 H new ATOM 0 HG21 THR A 10 4.435 -10.399 0.463 1.00 0.00 H new ATOM 0 HG22 THR A 10 3.528 -11.193 1.772 1.00 0.00 H new ATOM 0 HG23 THR A 10 2.718 -10.009 0.718 1.00 0.00 H new ATOM 163 N THR A 11 4.339 -8.604 5.113 1.00 0.00 N ATOM 164 CA THR A 11 4.953 -7.891 6.155 1.00 0.00 C ATOM 165 C THR A 11 6.255 -8.598 6.416 1.00 0.00 C ATOM 166 O THR A 11 6.477 -9.702 5.931 1.00 0.00 O ATOM 167 CB THR A 11 4.085 -7.880 7.453 1.00 0.00 C ATOM 168 OG1 THR A 11 2.721 -7.593 7.132 1.00 0.00 O ATOM 169 CG2 THR A 11 4.553 -6.800 8.434 1.00 0.00 C ATOM 0 H THR A 11 4.595 -9.591 5.076 1.00 0.00 H new ATOM 0 HA THR A 11 5.090 -6.847 5.873 1.00 0.00 H new ATOM 0 HB THR A 11 4.186 -8.865 7.908 1.00 0.00 H new ATOM 0 HG1 THR A 11 2.185 -7.590 7.953 1.00 0.00 H new ATOM 0 HG21 THR A 11 3.926 -6.822 9.325 1.00 0.00 H new ATOM 0 HG22 THR A 11 5.589 -6.988 8.715 1.00 0.00 H new ATOM 0 HG23 THR A 11 4.477 -5.821 7.961 1.00 0.00 H new ATOM 177 N ASN A 12 7.077 -7.981 7.131 1.00 0.00 N ATOM 178 CA ASN A 12 8.385 -8.485 7.449 1.00 0.00 C ATOM 179 C ASN A 12 8.320 -9.475 8.610 1.00 0.00 C ATOM 180 O ASN A 12 9.279 -10.184 8.889 1.00 0.00 O ATOM 181 CB ASN A 12 9.310 -7.319 7.796 1.00 0.00 C ATOM 182 CG ASN A 12 8.902 -6.557 9.056 1.00 0.00 C ATOM 183 OD1 ASN A 12 7.732 -6.493 9.416 1.00 0.00 O ATOM 184 ND2 ASN A 12 9.855 -5.942 9.701 1.00 0.00 N ATOM 0 H ASN A 12 6.880 -7.069 7.544 1.00 0.00 H new ATOM 0 HA ASN A 12 8.779 -9.013 6.580 1.00 0.00 H new ATOM 0 HB2 ASN A 12 10.324 -7.699 7.925 1.00 0.00 H new ATOM 0 HB3 ASN A 12 9.334 -6.625 6.956 1.00 0.00 H new ATOM 0 HD21 ASN A 12 9.636 -5.389 10.529 1.00 0.00 H new ATOM 0 HD22 ASN A 12 10.819 -6.014 9.377 1.00 0.00 H new ATOM 191 N ALA A 13 7.186 -9.499 9.285 1.00 0.00 N ATOM 192 CA ALA A 13 6.971 -10.381 10.401 1.00 0.00 C ATOM 193 C ALA A 13 6.187 -11.619 9.987 1.00 0.00 C ATOM 194 O ALA A 13 6.226 -12.650 10.660 1.00 0.00 O ATOM 195 CB ALA A 13 6.239 -9.649 11.513 1.00 0.00 C ATOM 0 H ALA A 13 6.388 -8.902 9.068 1.00 0.00 H new ATOM 0 HA ALA A 13 7.946 -10.705 10.764 1.00 0.00 H new ATOM 0 HB1 ALA A 13 6.082 -10.326 12.352 1.00 0.00 H new ATOM 0 HB2 ALA A 13 6.834 -8.797 11.841 1.00 0.00 H new ATOM 0 HB3 ALA A 13 5.275 -9.298 11.145 1.00 0.00 H new ATOM 201 N THR A 14 5.486 -11.517 8.889 1.00 0.00 N ATOM 202 CA THR A 14 4.647 -12.585 8.416 1.00 0.00 C ATOM 203 C THR A 14 5.318 -13.341 7.276 1.00 0.00 C ATOM 204 O THR A 14 6.095 -12.759 6.500 1.00 0.00 O ATOM 205 CB THR A 14 3.300 -12.016 7.944 1.00 0.00 C ATOM 206 OG1 THR A 14 3.548 -10.940 7.027 1.00 0.00 O ATOM 207 CG2 THR A 14 2.481 -11.505 9.124 1.00 0.00 C ATOM 0 H THR A 14 5.481 -10.687 8.296 1.00 0.00 H new ATOM 0 HA THR A 14 4.481 -13.282 9.237 1.00 0.00 H new ATOM 0 HB THR A 14 2.733 -12.807 7.454 1.00 0.00 H new ATOM 0 HG1 THR A 14 2.695 -10.570 6.718 1.00 0.00 H new ATOM 0 HG21 THR A 14 1.532 -11.107 8.763 1.00 0.00 H new ATOM 0 HG22 THR A 14 2.291 -12.325 9.817 1.00 0.00 H new ATOM 0 HG23 THR A 14 3.033 -10.717 9.636 1.00 0.00 H new ATOM 215 N ASP A 15 5.046 -14.616 7.186 1.00 0.00 N ATOM 216 CA ASP A 15 5.600 -15.442 6.118 1.00 0.00 C ATOM 217 C ASP A 15 4.550 -15.724 5.087 1.00 0.00 C ATOM 218 O ASP A 15 4.831 -15.755 3.885 1.00 0.00 O ATOM 219 CB ASP A 15 6.160 -16.765 6.650 1.00 0.00 C ATOM 220 CG ASP A 15 7.338 -16.591 7.565 1.00 0.00 C ATOM 221 OD1 ASP A 15 8.472 -16.427 7.071 1.00 0.00 O ATOM 222 OD2 ASP A 15 7.154 -16.618 8.805 1.00 0.00 O ATOM 0 H ASP A 15 4.442 -15.118 7.837 1.00 0.00 H new ATOM 0 HA ASP A 15 6.421 -14.884 5.669 1.00 0.00 H new ATOM 0 HB2 ASP A 15 5.371 -17.296 7.183 1.00 0.00 H new ATOM 0 HB3 ASP A 15 6.454 -17.391 5.808 1.00 0.00 H new ATOM 227 N PHE A 16 3.343 -15.914 5.548 1.00 0.00 N ATOM 228 CA PHE A 16 2.244 -16.202 4.681 1.00 0.00 C ATOM 229 C PHE A 16 1.489 -14.907 4.383 1.00 0.00 C ATOM 230 O PHE A 16 0.998 -14.245 5.306 1.00 0.00 O ATOM 231 CB PHE A 16 1.320 -17.247 5.330 1.00 0.00 C ATOM 232 CG PHE A 16 0.178 -17.685 4.455 1.00 0.00 C ATOM 233 CD1 PHE A 16 0.409 -18.511 3.366 1.00 0.00 C ATOM 234 CD2 PHE A 16 -1.118 -17.271 4.712 1.00 0.00 C ATOM 235 CE1 PHE A 16 -0.627 -18.917 2.554 1.00 0.00 C ATOM 236 CE2 PHE A 16 -2.158 -17.675 3.900 1.00 0.00 C ATOM 237 CZ PHE A 16 -1.913 -18.499 2.821 1.00 0.00 C ATOM 0 H PHE A 16 3.099 -15.872 6.537 1.00 0.00 H new ATOM 0 HA PHE A 16 2.611 -16.618 3.743 1.00 0.00 H new ATOM 0 HB2 PHE A 16 1.912 -18.121 5.601 1.00 0.00 H new ATOM 0 HB3 PHE A 16 0.917 -16.835 6.255 1.00 0.00 H new ATOM 0 HD1 PHE A 16 1.415 -18.841 3.151 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -1.317 -16.626 5.555 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -0.432 -19.562 1.710 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -3.165 -17.346 4.109 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.727 -18.816 2.187 1.00 0.00 H new ATOM 247 N PRO A 17 1.415 -14.508 3.104 1.00 0.00 N ATOM 248 CA PRO A 17 0.730 -13.280 2.690 1.00 0.00 C ATOM 249 C PRO A 17 -0.769 -13.316 3.010 1.00 0.00 C ATOM 250 O PRO A 17 -1.431 -14.351 2.850 1.00 0.00 O ATOM 251 CB PRO A 17 0.951 -13.237 1.182 1.00 0.00 C ATOM 252 CG PRO A 17 2.100 -14.137 0.932 1.00 0.00 C ATOM 253 CD PRO A 17 1.997 -15.213 1.955 1.00 0.00 C ATOM 0 HA PRO A 17 1.114 -12.404 3.213 1.00 0.00 H new ATOM 0 HB2 PRO A 17 0.064 -13.572 0.644 1.00 0.00 H new ATOM 0 HB3 PRO A 17 1.164 -12.223 0.844 1.00 0.00 H new ATOM 0 HG2 PRO A 17 2.062 -14.550 -0.076 1.00 0.00 H new ATOM 0 HG3 PRO A 17 3.045 -13.601 1.021 1.00 0.00 H new ATOM 0 HD2 PRO A 17 1.362 -16.033 1.619 1.00 0.00 H new ATOM 0 HD3 PRO A 17 2.971 -15.641 2.193 1.00 0.00 H new ATOM 261 N MET A 18 -1.295 -12.192 3.431 1.00 0.00 N ATOM 262 CA MET A 18 -2.678 -12.095 3.853 1.00 0.00 C ATOM 263 C MET A 18 -3.469 -11.418 2.747 1.00 0.00 C ATOM 264 O MET A 18 -3.153 -10.309 2.358 1.00 0.00 O ATOM 265 CB MET A 18 -2.745 -11.257 5.139 1.00 0.00 C ATOM 266 CG MET A 18 -4.111 -11.187 5.804 1.00 0.00 C ATOM 267 SD MET A 18 -4.090 -10.112 7.264 1.00 0.00 S ATOM 268 CE MET A 18 -5.731 -10.380 7.923 1.00 0.00 C ATOM 0 H MET A 18 -0.778 -11.315 3.492 1.00 0.00 H new ATOM 0 HA MET A 18 -3.095 -13.083 4.048 1.00 0.00 H new ATOM 0 HB2 MET A 18 -2.032 -11.665 5.855 1.00 0.00 H new ATOM 0 HB3 MET A 18 -2.420 -10.242 4.908 1.00 0.00 H new ATOM 0 HG2 MET A 18 -4.845 -10.816 5.089 1.00 0.00 H new ATOM 0 HG3 MET A 18 -4.427 -12.189 6.094 1.00 0.00 H new ATOM 0 HE1 MET A 18 -6.227 -9.420 8.065 1.00 0.00 H new ATOM 0 HE2 MET A 18 -6.308 -10.987 7.226 1.00 0.00 H new ATOM 0 HE3 MET A 18 -5.659 -10.896 8.880 1.00 0.00 H new ATOM 278 N GLU A 19 -4.476 -12.072 2.248 1.00 0.00 N ATOM 279 CA GLU A 19 -5.252 -11.527 1.147 1.00 0.00 C ATOM 280 C GLU A 19 -6.619 -11.106 1.607 1.00 0.00 C ATOM 281 O GLU A 19 -7.397 -11.925 2.121 1.00 0.00 O ATOM 282 CB GLU A 19 -5.392 -12.547 0.056 1.00 0.00 C ATOM 283 CG GLU A 19 -4.077 -12.981 -0.547 1.00 0.00 C ATOM 284 CD GLU A 19 -4.244 -14.121 -1.494 1.00 0.00 C ATOM 285 OE1 GLU A 19 -4.678 -13.904 -2.637 1.00 0.00 O ATOM 286 OE2 GLU A 19 -3.940 -15.266 -1.097 1.00 0.00 O ATOM 0 H GLU A 19 -4.788 -12.985 2.578 1.00 0.00 H new ATOM 0 HA GLU A 19 -4.723 -10.653 0.767 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -5.905 -13.423 0.454 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -6.025 -12.138 -0.732 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -3.623 -12.139 -1.070 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -3.391 -13.269 0.249 1.00 0.00 H new ATOM 293 N LYS A 20 -6.908 -9.854 1.429 1.00 0.00 N ATOM 294 CA LYS A 20 -8.150 -9.280 1.785 1.00 0.00 C ATOM 295 C LYS A 20 -8.629 -8.271 0.776 1.00 0.00 C ATOM 296 O LYS A 20 -7.836 -7.709 0.008 1.00 0.00 O ATOM 297 CB LYS A 20 -8.099 -8.670 3.151 1.00 0.00 C ATOM 298 CG LYS A 20 -8.181 -9.696 4.254 1.00 0.00 C ATOM 299 CD LYS A 20 -8.194 -9.075 5.613 1.00 0.00 C ATOM 300 CE LYS A 20 -9.414 -8.184 5.849 1.00 0.00 C ATOM 301 NZ LYS A 20 -10.684 -8.925 5.766 1.00 0.00 N ATOM 0 H LYS A 20 -6.256 -9.187 1.016 1.00 0.00 H new ATOM 0 HA LYS A 20 -8.872 -10.096 1.797 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -7.174 -8.103 3.256 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -8.921 -7.962 3.258 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -9.083 -10.294 4.123 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -7.333 -10.376 4.177 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -8.174 -9.862 6.367 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -7.288 -8.484 5.745 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -9.334 -7.718 6.831 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -9.419 -7.379 5.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -11.464 -8.314 6.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -10.851 -9.219 4.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -10.635 -9.766 6.375 1.00 0.00 H new ATOM 315 N LYS A 21 -9.913 -8.052 0.791 1.00 0.00 N ATOM 316 CA LYS A 21 -10.590 -7.153 -0.105 1.00 0.00 C ATOM 317 C LYS A 21 -11.005 -5.885 0.647 1.00 0.00 C ATOM 318 O LYS A 21 -11.728 -5.962 1.649 1.00 0.00 O ATOM 319 CB LYS A 21 -11.834 -7.863 -0.651 1.00 0.00 C ATOM 320 CG LYS A 21 -12.664 -7.061 -1.644 1.00 0.00 C ATOM 321 CD LYS A 21 -13.945 -7.806 -2.093 1.00 0.00 C ATOM 322 CE LYS A 21 -13.710 -9.033 -3.018 1.00 0.00 C ATOM 323 NZ LYS A 21 -12.919 -10.140 -2.412 1.00 0.00 N ATOM 0 H LYS A 21 -10.541 -8.510 1.451 1.00 0.00 H new ATOM 0 HA LYS A 21 -9.928 -6.872 -0.924 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -11.520 -8.790 -1.131 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -12.471 -8.139 0.189 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -12.942 -6.109 -1.193 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -12.056 -6.833 -2.519 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -14.482 -8.139 -1.205 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -14.593 -7.100 -2.612 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -14.679 -9.426 -3.327 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -13.201 -8.695 -3.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -13.297 -11.054 -2.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -11.924 -10.055 -2.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -12.983 -10.086 -1.375 1.00 0.00 H new ATOM 337 N TYR A 22 -10.557 -4.744 0.179 1.00 0.00 N ATOM 338 CA TYR A 22 -10.913 -3.458 0.784 1.00 0.00 C ATOM 339 C TYR A 22 -11.344 -2.486 -0.325 1.00 0.00 C ATOM 340 O TYR A 22 -10.981 -2.687 -1.480 1.00 0.00 O ATOM 341 CB TYR A 22 -9.721 -2.842 1.544 1.00 0.00 C ATOM 342 CG TYR A 22 -9.136 -3.669 2.670 1.00 0.00 C ATOM 343 CD1 TYR A 22 -9.736 -3.705 3.916 1.00 0.00 C ATOM 344 CD2 TYR A 22 -7.957 -4.387 2.489 1.00 0.00 C ATOM 345 CE1 TYR A 22 -9.181 -4.429 4.952 1.00 0.00 C ATOM 346 CE2 TYR A 22 -7.401 -5.118 3.519 1.00 0.00 C ATOM 347 CZ TYR A 22 -8.017 -5.131 4.749 1.00 0.00 C ATOM 348 OH TYR A 22 -7.463 -5.851 5.784 1.00 0.00 O ATOM 0 H TYR A 22 -9.938 -4.668 -0.628 1.00 0.00 H new ATOM 0 HA TYR A 22 -11.724 -3.628 1.492 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -8.928 -2.636 0.825 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -10.037 -1.883 1.954 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -10.653 -3.158 4.081 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -7.469 -4.372 1.526 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -9.660 -4.444 5.920 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -6.490 -5.675 3.361 1.00 0.00 H new ATOM 0 HH TYR A 22 -6.643 -6.290 5.475 1.00 0.00 H new ATOM 358 N PRO A 23 -12.131 -1.435 -0.008 1.00 0.00 N ATOM 359 CA PRO A 23 -12.556 -0.438 -1.003 1.00 0.00 C ATOM 360 C PRO A 23 -11.391 0.437 -1.488 1.00 0.00 C ATOM 361 O PRO A 23 -10.530 0.817 -0.699 1.00 0.00 O ATOM 362 CB PRO A 23 -13.569 0.437 -0.244 1.00 0.00 C ATOM 363 CG PRO A 23 -13.906 -0.332 0.983 1.00 0.00 C ATOM 364 CD PRO A 23 -12.691 -1.139 1.318 1.00 0.00 C ATOM 0 HA PRO A 23 -12.962 -0.919 -1.893 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -13.142 1.408 0.005 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -14.457 0.625 -0.847 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -14.166 0.338 1.803 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -14.767 -0.978 0.813 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -11.991 -0.580 1.939 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -12.945 -2.048 1.863 1.00 0.00 H new ATOM 372 N ALA A 24 -11.378 0.765 -2.787 1.00 0.00 N ATOM 373 CA ALA A 24 -10.327 1.624 -3.371 1.00 0.00 C ATOM 374 C ALA A 24 -10.351 3.026 -2.791 1.00 0.00 C ATOM 375 O ALA A 24 -9.334 3.727 -2.767 1.00 0.00 O ATOM 376 CB ALA A 24 -10.419 1.661 -4.884 1.00 0.00 C ATOM 0 H ALA A 24 -12.081 0.451 -3.457 1.00 0.00 H new ATOM 0 HA ALA A 24 -9.369 1.178 -3.103 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -9.632 2.302 -5.281 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -10.301 0.653 -5.280 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -11.391 2.055 -5.180 1.00 0.00 H new ATOM 382 N GLY A 25 -11.506 3.407 -2.311 1.00 0.00 N ATOM 383 CA GLY A 25 -11.696 4.706 -1.706 1.00 0.00 C ATOM 384 C GLY A 25 -11.204 4.754 -0.267 1.00 0.00 C ATOM 385 O GLY A 25 -11.155 5.828 0.344 1.00 0.00 O ATOM 0 H GLY A 25 -12.345 2.827 -2.327 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -11.168 5.458 -2.293 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -12.754 4.965 -1.734 1.00 0.00 H new ATOM 389 N MET A 26 -10.825 3.609 0.270 1.00 0.00 N ATOM 390 CA MET A 26 -10.333 3.530 1.637 1.00 0.00 C ATOM 391 C MET A 26 -8.960 4.192 1.707 1.00 0.00 C ATOM 392 O MET A 26 -8.242 4.249 0.709 1.00 0.00 O ATOM 393 CB MET A 26 -10.235 2.062 2.075 1.00 0.00 C ATOM 394 CG MET A 26 -9.853 1.781 3.540 1.00 0.00 C ATOM 395 SD MET A 26 -11.208 1.984 4.755 1.00 0.00 S ATOM 396 CE MET A 26 -11.588 3.730 4.716 1.00 0.00 C ATOM 0 H MET A 26 -10.848 2.715 -0.221 1.00 0.00 H new ATOM 0 HA MET A 26 -11.022 4.045 2.307 1.00 0.00 H new ATOM 0 HB2 MET A 26 -11.197 1.588 1.882 1.00 0.00 H new ATOM 0 HB3 MET A 26 -9.503 1.569 1.436 1.00 0.00 H new ATOM 0 HG2 MET A 26 -9.474 0.761 3.610 1.00 0.00 H new ATOM 0 HG3 MET A 26 -9.035 2.445 3.819 1.00 0.00 H new ATOM 0 HE1 MET A 26 -12.129 4.005 5.621 1.00 0.00 H new ATOM 0 HE2 MET A 26 -10.662 4.303 4.659 1.00 0.00 H new ATOM 0 HE3 MET A 26 -12.204 3.949 3.844 1.00 0.00 H new ATOM 406 N SER A 27 -8.624 4.699 2.850 1.00 0.00 N ATOM 407 CA SER A 27 -7.363 5.356 3.070 1.00 0.00 C ATOM 408 C SER A 27 -6.288 4.345 3.387 1.00 0.00 C ATOM 409 O SER A 27 -6.566 3.280 3.964 1.00 0.00 O ATOM 410 CB SER A 27 -7.518 6.330 4.226 1.00 0.00 C ATOM 411 OG SER A 27 -8.057 5.679 5.363 1.00 0.00 O ATOM 0 H SER A 27 -9.224 4.671 3.674 1.00 0.00 H new ATOM 0 HA SER A 27 -7.069 5.892 2.167 1.00 0.00 H new ATOM 0 HB2 SER A 27 -6.549 6.764 4.475 1.00 0.00 H new ATOM 0 HB3 SER A 27 -8.169 7.153 3.930 1.00 0.00 H new ATOM 0 HG SER A 27 -8.147 6.323 6.096 1.00 0.00 H new ATOM 417 N LEU A 28 -5.059 4.657 3.006 1.00 0.00 N ATOM 418 CA LEU A 28 -3.932 3.790 3.337 1.00 0.00 C ATOM 419 C LEU A 28 -3.730 3.860 4.848 1.00 0.00 C ATOM 420 O LEU A 28 -3.255 2.924 5.467 1.00 0.00 O ATOM 421 CB LEU A 28 -2.693 4.278 2.583 1.00 0.00 C ATOM 422 CG LEU A 28 -1.441 3.349 2.449 1.00 0.00 C ATOM 423 CD1 LEU A 28 -0.733 3.107 3.765 1.00 0.00 C ATOM 424 CD2 LEU A 28 -1.809 2.030 1.794 1.00 0.00 C ATOM 0 H LEU A 28 -4.815 5.492 2.474 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.115 2.756 3.045 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.011 4.541 1.574 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.363 5.199 3.064 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.738 3.881 1.809 1.00 0.00 H new ATOM 0 HD11 LEU A 28 0.125 2.455 3.602 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.394 4.058 4.176 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.420 2.633 4.466 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.921 1.404 1.713 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.559 1.520 2.399 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.212 2.218 0.799 1.00 0.00 H new ATOM 436 N ASN A 29 -4.144 4.986 5.429 1.00 0.00 N ATOM 437 CA ASN A 29 -4.078 5.180 6.890 1.00 0.00 C ATOM 438 C ASN A 29 -4.890 4.153 7.631 1.00 0.00 C ATOM 439 O ASN A 29 -4.497 3.705 8.696 1.00 0.00 O ATOM 440 CB ASN A 29 -4.452 6.601 7.340 1.00 0.00 C ATOM 441 CG ASN A 29 -3.392 7.623 6.977 1.00 0.00 C ATOM 442 OD1 ASN A 29 -2.210 7.293 6.867 1.00 0.00 O ATOM 443 ND2 ASN A 29 -3.791 8.862 6.814 1.00 0.00 N ATOM 0 H ASN A 29 -4.529 5.780 4.918 1.00 0.00 H new ATOM 0 HA ASN A 29 -3.029 5.040 7.150 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -5.399 6.886 6.882 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -4.605 6.608 8.419 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -3.114 9.590 6.588 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -4.779 9.097 6.913 1.00 0.00 H new ATOM 450 N ASP A 30 -6.003 3.748 7.054 1.00 0.00 N ATOM 451 CA ASP A 30 -6.838 2.717 7.663 1.00 0.00 C ATOM 452 C ASP A 30 -6.129 1.382 7.603 1.00 0.00 C ATOM 453 O ASP A 30 -6.082 0.644 8.588 1.00 0.00 O ATOM 454 CB ASP A 30 -8.189 2.625 6.955 1.00 0.00 C ATOM 455 CG ASP A 30 -9.129 1.599 7.577 1.00 0.00 C ATOM 456 OD1 ASP A 30 -9.796 1.917 8.587 1.00 0.00 O ATOM 457 OD2 ASP A 30 -9.206 0.469 7.079 1.00 0.00 O ATOM 0 H ASP A 30 -6.354 4.111 6.168 1.00 0.00 H new ATOM 0 HA ASP A 30 -7.015 2.985 8.705 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -8.668 3.604 6.973 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -8.026 2.370 5.908 1.00 0.00 H new ATOM 462 N LEU A 31 -5.557 1.105 6.454 1.00 0.00 N ATOM 463 CA LEU A 31 -4.828 -0.145 6.204 1.00 0.00 C ATOM 464 C LEU A 31 -3.591 -0.236 7.077 1.00 0.00 C ATOM 465 O LEU A 31 -3.340 -1.262 7.689 1.00 0.00 O ATOM 466 CB LEU A 31 -4.424 -0.230 4.741 1.00 0.00 C ATOM 467 CG LEU A 31 -3.759 -1.543 4.282 1.00 0.00 C ATOM 468 CD1 LEU A 31 -4.686 -2.733 4.499 1.00 0.00 C ATOM 469 CD2 LEU A 31 -3.344 -1.450 2.824 1.00 0.00 C ATOM 0 H LEU A 31 -5.577 1.736 5.653 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.489 -0.976 6.449 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.314 -0.068 4.132 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.739 0.591 4.529 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.866 -1.697 4.888 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.191 -3.645 4.166 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.928 -2.817 5.558 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.603 -2.589 3.928 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.877 -2.386 2.518 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.223 -1.265 2.207 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.634 -0.632 2.699 1.00 0.00 H new ATOM 481 N LYS A 32 -2.817 0.830 7.131 1.00 0.00 N ATOM 482 CA LYS A 32 -1.623 0.830 7.989 1.00 0.00 C ATOM 483 C LYS A 32 -2.034 0.699 9.440 1.00 0.00 C ATOM 484 O LYS A 32 -1.367 0.063 10.178 1.00 0.00 O ATOM 485 CB LYS A 32 -0.702 2.074 7.818 1.00 0.00 C ATOM 486 CG LYS A 32 -1.343 3.374 8.247 1.00 0.00 C ATOM 487 CD LYS A 32 -0.387 4.578 8.253 1.00 0.00 C ATOM 488 CE LYS A 32 0.174 4.910 6.881 1.00 0.00 C ATOM 489 NZ LYS A 32 1.005 6.147 6.911 1.00 0.00 N ATOM 0 H LYS A 32 -2.977 1.692 6.610 1.00 0.00 H new ATOM 0 HA LYS A 32 -1.031 -0.027 7.670 1.00 0.00 H new ATOM 0 HB2 LYS A 32 0.209 1.921 8.396 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -0.406 2.154 6.772 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -2.178 3.591 7.581 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -1.757 3.249 9.247 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -0.914 5.449 8.642 1.00 0.00 H new ATOM 0 HD3 LYS A 32 0.438 4.374 8.935 1.00 0.00 H new ATOM 0 HE2 LYS A 32 0.776 4.075 6.522 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -0.645 5.039 6.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 1.259 6.418 5.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 0.466 6.917 7.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 1.871 5.970 7.458 1.00 0.00 H new ATOM 503 N LYS A 33 -3.178 1.284 9.823 1.00 0.00 N ATOM 504 CA LYS A 33 -3.658 1.218 11.191 1.00 0.00 C ATOM 505 C LYS A 33 -3.992 -0.248 11.532 1.00 0.00 C ATOM 506 O LYS A 33 -3.790 -0.703 12.660 1.00 0.00 O ATOM 507 CB LYS A 33 -4.931 2.070 11.304 1.00 0.00 C ATOM 508 CG LYS A 33 -5.318 2.504 12.704 1.00 0.00 C ATOM 509 CD LYS A 33 -4.575 3.778 13.136 1.00 0.00 C ATOM 510 CE LYS A 33 -3.082 3.657 13.002 1.00 0.00 C ATOM 511 NZ LYS A 33 -2.345 4.823 13.506 1.00 0.00 N ATOM 0 H LYS A 33 -3.784 1.809 9.192 1.00 0.00 H new ATOM 0 HA LYS A 33 -2.899 1.590 11.879 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -4.803 2.962 10.691 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.761 1.506 10.877 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -6.393 2.679 12.745 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.099 1.700 13.407 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -4.922 4.617 12.533 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -4.825 4.005 14.172 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -2.749 2.769 13.539 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -2.832 3.507 11.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -1.395 4.528 13.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -2.261 5.534 12.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -2.856 5.234 14.313 1.00 0.00 H new ATOM 525 N LYS A 34 -4.502 -0.956 10.538 1.00 0.00 N ATOM 526 CA LYS A 34 -4.794 -2.347 10.597 1.00 0.00 C ATOM 527 C LYS A 34 -3.496 -3.137 10.809 1.00 0.00 C ATOM 528 O LYS A 34 -3.432 -4.056 11.632 1.00 0.00 O ATOM 529 CB LYS A 34 -5.444 -2.694 9.259 1.00 0.00 C ATOM 530 CG LYS A 34 -6.922 -2.364 9.128 1.00 0.00 C ATOM 531 CD LYS A 34 -7.794 -3.334 9.912 1.00 0.00 C ATOM 532 CE LYS A 34 -7.698 -4.749 9.330 1.00 0.00 C ATOM 533 NZ LYS A 34 -8.543 -5.709 10.060 1.00 0.00 N ATOM 0 H LYS A 34 -4.728 -0.542 9.634 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.458 -2.597 11.424 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.904 -2.171 8.470 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -5.314 -3.761 9.081 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -7.100 -1.349 9.483 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -7.207 -2.389 8.076 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -7.484 -3.345 10.957 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -8.830 -2.997 9.890 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -7.995 -4.730 8.282 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -6.661 -5.083 9.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -8.447 -6.652 9.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -8.244 -5.748 11.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -9.537 -5.406 10.009 1.00 0.00 H new ATOM 547 N LEU A 35 -2.476 -2.742 10.085 1.00 0.00 N ATOM 548 CA LEU A 35 -1.164 -3.332 10.157 1.00 0.00 C ATOM 549 C LEU A 35 -0.506 -2.999 11.505 1.00 0.00 C ATOM 550 O LEU A 35 0.040 -3.876 12.183 1.00 0.00 O ATOM 551 CB LEU A 35 -0.349 -2.800 8.986 1.00 0.00 C ATOM 552 CG LEU A 35 -0.906 -3.135 7.596 1.00 0.00 C ATOM 553 CD1 LEU A 35 -0.059 -2.518 6.511 1.00 0.00 C ATOM 554 CD2 LEU A 35 -1.012 -4.639 7.397 1.00 0.00 C ATOM 0 H LEU A 35 -2.540 -1.979 9.411 1.00 0.00 H new ATOM 0 HA LEU A 35 -1.223 -4.418 10.092 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.275 -1.716 9.078 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.664 -3.196 9.059 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.908 -2.711 7.531 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.476 -2.771 5.536 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.047 -1.435 6.631 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.959 -2.902 6.581 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.410 -4.847 6.404 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.024 -5.089 7.494 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.678 -5.060 8.150 1.00 0.00 H new ATOM 566 N GLU A 36 -0.606 -1.736 11.892 1.00 0.00 N ATOM 567 CA GLU A 36 -0.139 -1.223 13.155 1.00 0.00 C ATOM 568 C GLU A 36 -0.769 -1.956 14.322 1.00 0.00 C ATOM 569 O GLU A 36 -0.156 -2.120 15.367 1.00 0.00 O ATOM 570 CB GLU A 36 -0.482 0.258 13.256 1.00 0.00 C ATOM 571 CG GLU A 36 0.384 1.192 12.441 1.00 0.00 C ATOM 572 CD GLU A 36 -0.008 2.637 12.625 1.00 0.00 C ATOM 573 OE1 GLU A 36 0.048 3.149 13.782 1.00 0.00 O ATOM 574 OE2 GLU A 36 -0.427 3.271 11.658 1.00 0.00 O ATOM 0 H GLU A 36 -1.033 -1.019 11.306 1.00 0.00 H new ATOM 0 HA GLU A 36 0.940 -1.371 13.200 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -1.519 0.393 12.948 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -0.419 0.555 14.303 1.00 0.00 H new ATOM 0 HG2 GLU A 36 1.427 1.061 12.728 1.00 0.00 H new ATOM 0 HG3 GLU A 36 0.308 0.928 11.386 1.00 0.00 H new ATOM 581 N LEU A 37 -1.984 -2.395 14.139 1.00 0.00 N ATOM 582 CA LEU A 37 -2.710 -3.090 15.177 1.00 0.00 C ATOM 583 C LEU A 37 -2.165 -4.511 15.356 1.00 0.00 C ATOM 584 O LEU A 37 -2.186 -5.068 16.456 1.00 0.00 O ATOM 585 CB LEU A 37 -4.198 -3.126 14.823 1.00 0.00 C ATOM 586 CG LEU A 37 -5.138 -3.697 15.880 1.00 0.00 C ATOM 587 CD1 LEU A 37 -5.062 -2.891 17.171 1.00 0.00 C ATOM 588 CD2 LEU A 37 -6.557 -3.718 15.355 1.00 0.00 C ATOM 0 H LEU A 37 -2.502 -2.283 13.268 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.580 -2.558 16.120 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -4.519 -2.109 14.595 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.317 -3.710 13.910 1.00 0.00 H new ATOM 0 HG LEU A 37 -4.826 -4.718 16.101 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.742 -3.319 17.908 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.043 -2.919 17.558 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.347 -1.858 16.972 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -7.221 -4.127 16.117 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -6.869 -2.703 15.109 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -6.605 -4.339 14.460 1.00 0.00 H new ATOM 600 N VAL A 38 -1.662 -5.077 14.286 1.00 0.00 N ATOM 601 CA VAL A 38 -1.146 -6.432 14.313 1.00 0.00 C ATOM 602 C VAL A 38 0.339 -6.453 14.690 1.00 0.00 C ATOM 603 O VAL A 38 0.778 -7.297 15.476 1.00 0.00 O ATOM 604 CB VAL A 38 -1.357 -7.145 12.944 1.00 0.00 C ATOM 605 CG1 VAL A 38 -0.808 -8.568 12.965 1.00 0.00 C ATOM 606 CG2 VAL A 38 -2.833 -7.158 12.569 1.00 0.00 C ATOM 0 H VAL A 38 -1.597 -4.619 13.377 1.00 0.00 H new ATOM 0 HA VAL A 38 -1.705 -6.974 15.075 1.00 0.00 H new ATOM 0 HB VAL A 38 -0.805 -6.582 12.191 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -0.972 -9.036 11.994 1.00 0.00 H new ATOM 0 HG12 VAL A 38 0.260 -8.543 13.180 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.319 -9.144 13.736 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -2.960 -7.660 11.610 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -3.398 -7.689 13.335 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -3.198 -6.134 12.494 1.00 0.00 H new ATOM 616 N VAL A 39 1.102 -5.522 14.151 1.00 0.00 N ATOM 617 CA VAL A 39 2.542 -5.498 14.394 1.00 0.00 C ATOM 618 C VAL A 39 2.891 -4.669 15.647 1.00 0.00 C ATOM 619 O VAL A 39 3.946 -4.848 16.251 1.00 0.00 O ATOM 620 CB VAL A 39 3.334 -4.992 13.143 1.00 0.00 C ATOM 621 CG1 VAL A 39 4.836 -5.192 13.320 1.00 0.00 C ATOM 622 CG2 VAL A 39 2.854 -5.692 11.875 1.00 0.00 C ATOM 0 H VAL A 39 0.758 -4.776 13.546 1.00 0.00 H new ATOM 0 HA VAL A 39 2.851 -6.526 14.581 1.00 0.00 H new ATOM 0 HB VAL A 39 3.142 -3.924 13.044 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.358 -4.831 12.434 1.00 0.00 H new ATOM 0 HG12 VAL A 39 5.177 -4.636 14.194 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.048 -6.252 13.459 1.00 0.00 H new ATOM 0 HG21 VAL A 39 3.420 -5.323 11.019 1.00 0.00 H new ATOM 0 HG22 VAL A 39 3.005 -6.767 11.974 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.794 -5.487 11.725 1.00 0.00 H new ATOM 632 N GLY A 40 2.000 -3.773 16.038 1.00 0.00 N ATOM 633 CA GLY A 40 2.239 -2.952 17.224 1.00 0.00 C ATOM 634 C GLY A 40 3.077 -1.734 16.903 1.00 0.00 C ATOM 635 O GLY A 40 3.445 -0.962 17.786 1.00 0.00 O ATOM 0 H GLY A 40 1.115 -3.593 15.563 1.00 0.00 H new ATOM 0 HA2 GLY A 40 1.285 -2.636 17.646 1.00 0.00 H new ATOM 0 HA3 GLY A 40 2.742 -3.549 17.985 1.00 0.00 H new ATOM 639 N THR A 41 3.372 -1.570 15.639 1.00 0.00 N ATOM 640 CA THR A 41 4.183 -0.470 15.165 1.00 0.00 C ATOM 641 C THR A 41 3.361 0.851 15.156 1.00 0.00 C ATOM 642 O THR A 41 2.144 0.834 15.352 1.00 0.00 O ATOM 643 CB THR A 41 4.648 -0.794 13.742 1.00 0.00 C ATOM 644 OG1 THR A 41 5.085 -2.145 13.719 1.00 0.00 O ATOM 645 CG2 THR A 41 5.823 0.063 13.336 1.00 0.00 C ATOM 0 H THR A 41 3.055 -2.199 14.901 1.00 0.00 H new ATOM 0 HA THR A 41 5.039 -0.336 15.827 1.00 0.00 H new ATOM 0 HB THR A 41 3.818 -0.611 13.059 1.00 0.00 H new ATOM 0 HG1 THR A 41 5.386 -2.376 12.816 1.00 0.00 H new ATOM 0 HG21 THR A 41 6.127 -0.193 12.321 1.00 0.00 H new ATOM 0 HG22 THR A 41 5.537 1.114 13.375 1.00 0.00 H new ATOM 0 HG23 THR A 41 6.654 -0.112 14.019 1.00 0.00 H new ATOM 653 N THR A 42 4.035 1.956 14.948 1.00 0.00 N ATOM 654 CA THR A 42 3.410 3.251 14.865 1.00 0.00 C ATOM 655 C THR A 42 3.337 3.700 13.395 1.00 0.00 C ATOM 656 O THR A 42 3.873 3.016 12.518 1.00 0.00 O ATOM 657 CB THR A 42 4.197 4.277 15.691 1.00 0.00 C ATOM 658 OG1 THR A 42 5.572 4.304 15.259 1.00 0.00 O ATOM 659 CG2 THR A 42 4.142 3.938 17.167 1.00 0.00 C ATOM 0 H THR A 42 5.048 1.980 14.830 1.00 0.00 H new ATOM 0 HA THR A 42 2.400 3.182 15.269 1.00 0.00 H new ATOM 0 HB THR A 42 3.743 5.256 15.539 1.00 0.00 H new ATOM 0 HG1 THR A 42 6.069 4.962 15.789 1.00 0.00 H new ATOM 0 HG21 THR A 42 4.707 4.679 17.732 1.00 0.00 H new ATOM 0 HG22 THR A 42 3.105 3.939 17.502 1.00 0.00 H new ATOM 0 HG23 THR A 42 4.575 2.951 17.330 1.00 0.00 H new ATOM 667 N VAL A 43 2.714 4.852 13.143 1.00 0.00 N ATOM 668 CA VAL A 43 2.491 5.358 11.776 1.00 0.00 C ATOM 669 C VAL A 43 3.801 5.578 11.012 1.00 0.00 C ATOM 670 O VAL A 43 3.948 5.131 9.873 1.00 0.00 O ATOM 671 CB VAL A 43 1.694 6.699 11.791 1.00 0.00 C ATOM 672 CG1 VAL A 43 1.463 7.225 10.381 1.00 0.00 C ATOM 673 CG2 VAL A 43 0.371 6.538 12.510 1.00 0.00 C ATOM 0 H VAL A 43 2.349 5.463 13.873 1.00 0.00 H new ATOM 0 HA VAL A 43 1.913 4.588 11.265 1.00 0.00 H new ATOM 0 HB VAL A 43 2.298 7.427 12.332 1.00 0.00 H new ATOM 0 HG11 VAL A 43 0.905 8.160 10.428 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.423 7.400 9.896 1.00 0.00 H new ATOM 0 HG13 VAL A 43 0.895 6.492 9.808 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.164 7.488 12.505 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -0.229 5.782 12.004 1.00 0.00 H new ATOM 0 HG23 VAL A 43 0.552 6.228 13.539 1.00 0.00 H new ATOM 683 N ASP A 44 4.749 6.233 11.642 1.00 0.00 N ATOM 684 CA ASP A 44 6.005 6.574 10.981 1.00 0.00 C ATOM 685 C ASP A 44 6.897 5.367 10.832 1.00 0.00 C ATOM 686 O ASP A 44 7.602 5.217 9.836 1.00 0.00 O ATOM 687 CB ASP A 44 6.738 7.675 11.732 1.00 0.00 C ATOM 688 CG ASP A 44 8.023 8.100 11.049 1.00 0.00 C ATOM 689 OD1 ASP A 44 7.966 8.928 10.102 1.00 0.00 O ATOM 690 OD2 ASP A 44 9.107 7.636 11.453 1.00 0.00 O ATOM 0 H ASP A 44 4.682 6.544 12.611 1.00 0.00 H new ATOM 0 HA ASP A 44 5.755 6.938 9.985 1.00 0.00 H new ATOM 0 HB2 ASP A 44 6.082 8.540 11.831 1.00 0.00 H new ATOM 0 HB3 ASP A 44 6.965 7.331 12.741 1.00 0.00 H new ATOM 695 N SER A 45 6.848 4.492 11.799 1.00 0.00 N ATOM 696 CA SER A 45 7.660 3.347 11.806 1.00 0.00 C ATOM 697 C SER A 45 7.088 2.216 10.957 1.00 0.00 C ATOM 698 O SER A 45 7.703 1.159 10.831 1.00 0.00 O ATOM 699 CB SER A 45 7.861 2.922 13.217 1.00 0.00 C ATOM 700 OG SER A 45 8.478 3.947 13.961 1.00 0.00 O ATOM 0 H SER A 45 6.229 4.572 12.606 1.00 0.00 H new ATOM 0 HA SER A 45 8.619 3.595 11.352 1.00 0.00 H new ATOM 0 HB2 SER A 45 6.901 2.667 13.666 1.00 0.00 H new ATOM 0 HB3 SER A 45 8.476 2.023 13.247 1.00 0.00 H new ATOM 0 HG SER A 45 7.824 4.348 14.570 1.00 0.00 H new ATOM 706 N MET A 46 5.930 2.422 10.410 1.00 0.00 N ATOM 707 CA MET A 46 5.348 1.449 9.514 1.00 0.00 C ATOM 708 C MET A 46 5.666 1.898 8.113 1.00 0.00 C ATOM 709 O MET A 46 5.152 2.916 7.652 1.00 0.00 O ATOM 710 CB MET A 46 3.820 1.389 9.675 1.00 0.00 C ATOM 711 CG MET A 46 3.109 0.290 8.859 1.00 0.00 C ATOM 712 SD MET A 46 3.066 -1.372 9.639 1.00 0.00 S ATOM 713 CE MET A 46 4.785 -1.818 9.800 1.00 0.00 C ATOM 0 H MET A 46 5.361 3.255 10.564 1.00 0.00 H new ATOM 0 HA MET A 46 5.751 0.460 9.733 1.00 0.00 H new ATOM 0 HB2 MET A 46 3.589 1.241 10.730 1.00 0.00 H new ATOM 0 HB3 MET A 46 3.404 2.355 9.390 1.00 0.00 H new ATOM 0 HG2 MET A 46 2.084 0.609 8.668 1.00 0.00 H new ATOM 0 HG3 MET A 46 3.602 0.205 7.891 1.00 0.00 H new ATOM 0 HE1 MET A 46 4.875 -2.902 9.862 1.00 0.00 H new ATOM 0 HE2 MET A 46 5.337 -1.457 8.932 1.00 0.00 H new ATOM 0 HE3 MET A 46 5.195 -1.368 10.704 1.00 0.00 H new ATOM 723 N ARG A 47 6.496 1.176 7.437 1.00 0.00 N ATOM 724 CA ARG A 47 6.865 1.568 6.110 1.00 0.00 C ATOM 725 C ARG A 47 6.080 0.701 5.129 1.00 0.00 C ATOM 726 O ARG A 47 5.946 -0.507 5.342 1.00 0.00 O ATOM 727 CB ARG A 47 8.370 1.411 5.924 1.00 0.00 C ATOM 728 CG ARG A 47 8.944 2.176 4.755 1.00 0.00 C ATOM 729 CD ARG A 47 8.827 3.672 4.974 1.00 0.00 C ATOM 730 NE ARG A 47 9.344 4.441 3.845 1.00 0.00 N ATOM 731 CZ ARG A 47 9.236 5.768 3.714 1.00 0.00 C ATOM 732 NH1 ARG A 47 8.676 6.490 4.672 1.00 0.00 N ATOM 733 NH2 ARG A 47 9.688 6.361 2.618 1.00 0.00 N ATOM 0 H ARG A 47 6.931 0.317 7.774 1.00 0.00 H new ATOM 0 HA ARG A 47 6.626 2.616 5.930 1.00 0.00 H new ATOM 0 HB2 ARG A 47 8.871 1.737 6.835 1.00 0.00 H new ATOM 0 HB3 ARG A 47 8.598 0.353 5.796 1.00 0.00 H new ATOM 0 HG2 ARG A 47 9.991 1.906 4.618 1.00 0.00 H new ATOM 0 HG3 ARG A 47 8.420 1.897 3.841 1.00 0.00 H new ATOM 0 HD2 ARG A 47 7.781 3.932 5.139 1.00 0.00 H new ATOM 0 HD3 ARG A 47 9.370 3.948 5.878 1.00 0.00 H new ATOM 0 HE ARG A 47 9.822 3.929 3.103 1.00 0.00 H new ATOM 0 HH11 ARG A 47 8.325 6.035 5.514 1.00 0.00 H new ATOM 0 HH12 ARG A 47 8.596 7.501 4.568 1.00 0.00 H new ATOM 0 HH21 ARG A 47 10.117 5.806 1.878 1.00 0.00 H new ATOM 0 HH22 ARG A 47 9.607 7.373 2.515 1.00 0.00 H new ATOM 747 N ILE A 48 5.550 1.315 4.077 1.00 0.00 N ATOM 748 CA ILE A 48 4.664 0.619 3.143 1.00 0.00 C ATOM 749 C ILE A 48 5.223 0.625 1.713 1.00 0.00 C ATOM 750 O ILE A 48 5.418 1.696 1.109 1.00 0.00 O ATOM 751 CB ILE A 48 3.249 1.285 3.143 1.00 0.00 C ATOM 752 CG1 ILE A 48 2.622 1.256 4.554 1.00 0.00 C ATOM 753 CG2 ILE A 48 2.318 0.626 2.123 1.00 0.00 C ATOM 754 CD1 ILE A 48 2.389 -0.133 5.112 1.00 0.00 C ATOM 0 H ILE A 48 5.717 2.295 3.847 1.00 0.00 H new ATOM 0 HA ILE A 48 4.590 -0.416 3.478 1.00 0.00 H new ATOM 0 HB ILE A 48 3.379 2.326 2.849 1.00 0.00 H new ATOM 0 HG12 ILE A 48 3.271 1.804 5.237 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.670 1.786 4.525 1.00 0.00 H new ATOM 0 HG21 ILE A 48 1.344 1.114 2.151 1.00 0.00 H new ATOM 0 HG22 ILE A 48 2.745 0.724 1.125 1.00 0.00 H new ATOM 0 HG23 ILE A 48 2.201 -0.430 2.366 1.00 0.00 H new ATOM 0 HD11 ILE A 48 1.947 -0.057 6.105 1.00 0.00 H new ATOM 0 HD12 ILE A 48 1.713 -0.680 4.455 1.00 0.00 H new ATOM 0 HD13 ILE A 48 3.339 -0.663 5.178 1.00 0.00 H new ATOM 766 N GLN A 49 5.452 -0.560 1.182 1.00 0.00 N ATOM 767 CA GLN A 49 5.947 -0.745 -0.167 1.00 0.00 C ATOM 768 C GLN A 49 4.889 -1.393 -1.052 1.00 0.00 C ATOM 769 O GLN A 49 4.071 -2.177 -0.577 1.00 0.00 O ATOM 770 CB GLN A 49 7.211 -1.616 -0.215 1.00 0.00 C ATOM 771 CG GLN A 49 8.467 -1.019 0.393 1.00 0.00 C ATOM 772 CD GLN A 49 8.430 -0.861 1.882 1.00 0.00 C ATOM 773 OE1 GLN A 49 7.779 -1.618 2.594 1.00 0.00 O ATOM 774 NE2 GLN A 49 9.119 0.112 2.362 1.00 0.00 N ATOM 0 H GLN A 49 5.297 -1.434 1.684 1.00 0.00 H new ATOM 0 HA GLN A 49 6.192 0.251 -0.535 1.00 0.00 H new ATOM 0 HB2 GLN A 49 6.998 -2.555 0.295 1.00 0.00 H new ATOM 0 HB3 GLN A 49 7.419 -1.859 -1.257 1.00 0.00 H new ATOM 0 HG2 GLN A 49 9.316 -1.649 0.130 1.00 0.00 H new ATOM 0 HG3 GLN A 49 8.643 -0.042 -0.058 1.00 0.00 H new ATOM 0 HE21 GLN A 49 9.648 0.720 1.736 1.00 0.00 H new ATOM 0 HE22 GLN A 49 9.137 0.276 3.369 1.00 0.00 H new ATOM 783 N LEU A 50 4.903 -1.059 -2.321 1.00 0.00 N ATOM 784 CA LEU A 50 3.990 -1.658 -3.291 1.00 0.00 C ATOM 785 C LEU A 50 4.787 -2.572 -4.229 1.00 0.00 C ATOM 786 O LEU A 50 5.750 -2.134 -4.895 1.00 0.00 O ATOM 787 CB LEU A 50 3.223 -0.530 -4.067 1.00 0.00 C ATOM 788 CG LEU A 50 2.082 -0.898 -5.088 1.00 0.00 C ATOM 789 CD1 LEU A 50 1.377 0.368 -5.528 1.00 0.00 C ATOM 790 CD2 LEU A 50 2.636 -1.579 -6.323 1.00 0.00 C ATOM 0 H LEU A 50 5.541 -0.369 -2.718 1.00 0.00 H new ATOM 0 HA LEU A 50 3.240 -2.267 -2.786 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.786 0.134 -3.321 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.968 0.050 -4.612 1.00 0.00 H new ATOM 0 HG LEU A 50 1.396 -1.580 -4.586 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.586 0.117 -6.235 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.943 0.864 -4.659 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.093 1.036 -6.007 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.819 -1.818 -7.004 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.341 -0.913 -6.821 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.147 -2.497 -6.034 1.00 0.00 H new ATOM 802 N PHE A 51 4.406 -3.825 -4.260 1.00 0.00 N ATOM 803 CA PHE A 51 5.017 -4.824 -5.112 1.00 0.00 C ATOM 804 C PHE A 51 4.011 -5.386 -6.092 1.00 0.00 C ATOM 805 O PHE A 51 2.800 -5.388 -5.839 1.00 0.00 O ATOM 806 CB PHE A 51 5.611 -5.987 -4.295 1.00 0.00 C ATOM 807 CG PHE A 51 6.877 -5.679 -3.551 1.00 0.00 C ATOM 808 CD1 PHE A 51 6.857 -5.023 -2.337 1.00 0.00 C ATOM 809 CD2 PHE A 51 8.095 -6.079 -4.069 1.00 0.00 C ATOM 810 CE1 PHE A 51 8.034 -4.765 -1.659 1.00 0.00 C ATOM 811 CE2 PHE A 51 9.269 -5.825 -3.399 1.00 0.00 C ATOM 812 CZ PHE A 51 9.238 -5.167 -2.191 1.00 0.00 C ATOM 0 H PHE A 51 3.648 -4.190 -3.684 1.00 0.00 H new ATOM 0 HA PHE A 51 5.821 -4.323 -5.652 1.00 0.00 H new ATOM 0 HB2 PHE A 51 4.862 -6.323 -3.578 1.00 0.00 H new ATOM 0 HB3 PHE A 51 5.802 -6.821 -4.970 1.00 0.00 H new ATOM 0 HD1 PHE A 51 5.915 -4.709 -1.913 1.00 0.00 H new ATOM 0 HD2 PHE A 51 8.125 -6.599 -5.015 1.00 0.00 H new ATOM 0 HE1 PHE A 51 8.009 -4.248 -0.711 1.00 0.00 H new ATOM 0 HE2 PHE A 51 10.212 -6.141 -3.820 1.00 0.00 H new ATOM 0 HZ PHE A 51 10.157 -4.966 -1.661 1.00 0.00 H new ATOM 822 N ASP A 52 4.514 -5.840 -7.207 1.00 0.00 N ATOM 823 CA ASP A 52 3.690 -6.504 -8.215 1.00 0.00 C ATOM 824 C ASP A 52 4.118 -7.971 -8.228 1.00 0.00 C ATOM 825 O ASP A 52 4.693 -8.464 -7.247 1.00 0.00 O ATOM 826 CB ASP A 52 3.924 -5.844 -9.602 1.00 0.00 C ATOM 827 CG ASP A 52 2.946 -6.258 -10.703 1.00 0.00 C ATOM 828 OD1 ASP A 52 3.213 -7.235 -11.415 1.00 0.00 O ATOM 829 OD2 ASP A 52 1.911 -5.597 -10.866 1.00 0.00 O ATOM 0 H ASP A 52 5.501 -5.767 -7.455 1.00 0.00 H new ATOM 0 HA ASP A 52 2.627 -6.418 -7.989 1.00 0.00 H new ATOM 0 HB2 ASP A 52 3.873 -4.762 -9.483 1.00 0.00 H new ATOM 0 HB3 ASP A 52 4.936 -6.081 -9.931 1.00 0.00 H new ATOM 834 N GLY A 53 3.877 -8.636 -9.300 1.00 0.00 N ATOM 835 CA GLY A 53 4.195 -10.029 -9.405 1.00 0.00 C ATOM 836 C GLY A 53 5.486 -10.264 -10.137 1.00 0.00 C ATOM 837 O GLY A 53 5.854 -11.413 -10.407 1.00 0.00 O ATOM 0 H GLY A 53 3.452 -8.235 -10.136 1.00 0.00 H new ATOM 0 HA2 GLY A 53 4.262 -10.461 -8.406 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.387 -10.546 -9.922 1.00 0.00 H new ATOM 841 N ASP A 54 6.171 -9.174 -10.478 1.00 0.00 N ATOM 842 CA ASP A 54 7.441 -9.247 -11.173 1.00 0.00 C ATOM 843 C ASP A 54 8.457 -9.908 -10.283 1.00 0.00 C ATOM 844 O ASP A 54 8.789 -11.082 -10.453 1.00 0.00 O ATOM 845 CB ASP A 54 7.998 -7.855 -11.499 1.00 0.00 C ATOM 846 CG ASP A 54 7.097 -6.947 -12.256 1.00 0.00 C ATOM 847 OD1 ASP A 54 6.987 -7.085 -13.486 1.00 0.00 O ATOM 848 OD2 ASP A 54 6.544 -6.026 -11.634 1.00 0.00 O ATOM 0 H ASP A 54 5.858 -8.224 -10.279 1.00 0.00 H new ATOM 0 HA ASP A 54 7.267 -9.803 -12.094 1.00 0.00 H new ATOM 0 HB2 ASP A 54 8.268 -7.367 -10.563 1.00 0.00 H new ATOM 0 HB3 ASP A 54 8.918 -7.980 -12.071 1.00 0.00 H new ATOM 853 N ASP A 55 8.897 -9.138 -9.290 1.00 0.00 N ATOM 854 CA ASP A 55 9.922 -9.512 -8.340 1.00 0.00 C ATOM 855 C ASP A 55 10.262 -8.314 -7.492 1.00 0.00 C ATOM 856 O ASP A 55 10.191 -8.359 -6.264 1.00 0.00 O ATOM 857 CB ASP A 55 11.203 -9.979 -9.045 1.00 0.00 C ATOM 858 CG ASP A 55 12.314 -10.303 -8.066 1.00 0.00 C ATOM 859 OD1 ASP A 55 12.331 -11.422 -7.521 1.00 0.00 O ATOM 860 OD2 ASP A 55 13.184 -9.437 -7.829 1.00 0.00 O ATOM 0 H ASP A 55 8.529 -8.201 -9.126 1.00 0.00 H new ATOM 0 HA ASP A 55 9.537 -10.332 -7.734 1.00 0.00 H new ATOM 0 HB2 ASP A 55 10.983 -10.861 -9.646 1.00 0.00 H new ATOM 0 HB3 ASP A 55 11.541 -9.202 -9.731 1.00 0.00 H new ATOM 865 N GLN A 56 10.612 -7.229 -8.154 1.00 0.00 N ATOM 866 CA GLN A 56 11.052 -6.048 -7.476 1.00 0.00 C ATOM 867 C GLN A 56 9.919 -5.056 -7.199 1.00 0.00 C ATOM 868 O GLN A 56 8.805 -5.157 -7.758 1.00 0.00 O ATOM 869 CB GLN A 56 12.240 -5.372 -8.199 1.00 0.00 C ATOM 870 CG GLN A 56 11.963 -4.758 -9.578 1.00 0.00 C ATOM 871 CD GLN A 56 11.465 -5.749 -10.599 1.00 0.00 C ATOM 872 OE1 GLN A 56 10.268 -5.945 -10.739 1.00 0.00 O ATOM 873 NE2 GLN A 56 12.360 -6.396 -11.280 1.00 0.00 N ATOM 0 H GLN A 56 10.596 -7.151 -9.171 1.00 0.00 H new ATOM 0 HA GLN A 56 11.410 -6.381 -6.502 1.00 0.00 H new ATOM 0 HB2 GLN A 56 12.627 -4.586 -7.551 1.00 0.00 H new ATOM 0 HB3 GLN A 56 13.033 -6.112 -8.311 1.00 0.00 H new ATOM 0 HG2 GLN A 56 11.226 -3.962 -9.469 1.00 0.00 H new ATOM 0 HG3 GLN A 56 12.878 -4.297 -9.950 1.00 0.00 H new ATOM 0 HE21 GLN A 56 13.351 -6.203 -11.133 1.00 0.00 H new ATOM 0 HE22 GLN A 56 12.073 -7.098 -11.962 1.00 0.00 H new ATOM 882 N LEU A 57 10.240 -4.118 -6.358 1.00 0.00 N ATOM 883 CA LEU A 57 9.360 -3.091 -5.826 1.00 0.00 C ATOM 884 C LEU A 57 8.980 -2.049 -6.899 1.00 0.00 C ATOM 885 O LEU A 57 9.803 -1.647 -7.713 1.00 0.00 O ATOM 886 CB LEU A 57 10.130 -2.496 -4.606 1.00 0.00 C ATOM 887 CG LEU A 57 9.499 -1.435 -3.696 1.00 0.00 C ATOM 888 CD1 LEU A 57 10.306 -1.378 -2.418 1.00 0.00 C ATOM 889 CD2 LEU A 57 9.561 -0.071 -4.321 1.00 0.00 C ATOM 0 H LEU A 57 11.189 -4.035 -5.993 1.00 0.00 H new ATOM 0 HA LEU A 57 8.395 -3.487 -5.510 1.00 0.00 H new ATOM 0 HB2 LEU A 57 10.408 -3.335 -3.968 1.00 0.00 H new ATOM 0 HB3 LEU A 57 11.055 -2.070 -4.994 1.00 0.00 H new ATOM 0 HG LEU A 57 8.457 -1.704 -3.522 1.00 0.00 H new ATOM 0 HD11 LEU A 57 9.878 -0.630 -1.751 1.00 0.00 H new ATOM 0 HD12 LEU A 57 10.285 -2.353 -1.931 1.00 0.00 H new ATOM 0 HD13 LEU A 57 11.337 -1.110 -2.650 1.00 0.00 H new ATOM 0 HD21 LEU A 57 9.105 0.658 -3.650 1.00 0.00 H new ATOM 0 HD22 LEU A 57 10.601 0.201 -4.499 1.00 0.00 H new ATOM 0 HD23 LEU A 57 9.021 -0.080 -5.268 1.00 0.00 H new ATOM 901 N LYS A 58 7.702 -1.670 -6.901 1.00 0.00 N ATOM 902 CA LYS A 58 7.142 -0.676 -7.840 1.00 0.00 C ATOM 903 C LYS A 58 7.238 0.722 -7.282 1.00 0.00 C ATOM 904 O LYS A 58 7.554 1.666 -8.006 1.00 0.00 O ATOM 905 CB LYS A 58 5.666 -0.990 -8.136 1.00 0.00 C ATOM 906 CG LYS A 58 5.319 -1.892 -9.349 1.00 0.00 C ATOM 907 CD LYS A 58 6.077 -3.214 -9.452 1.00 0.00 C ATOM 908 CE LYS A 58 7.450 -3.032 -10.066 1.00 0.00 C ATOM 909 NZ LYS A 58 8.116 -4.315 -10.295 1.00 0.00 N ATOM 0 H LYS A 58 7.013 -2.043 -6.248 1.00 0.00 H new ATOM 0 HA LYS A 58 7.726 -0.732 -8.758 1.00 0.00 H new ATOM 0 HB2 LYS A 58 5.244 -1.458 -7.246 1.00 0.00 H new ATOM 0 HB3 LYS A 58 5.148 -0.041 -8.273 1.00 0.00 H new ATOM 0 HG2 LYS A 58 4.252 -2.112 -9.317 1.00 0.00 H new ATOM 0 HG3 LYS A 58 5.500 -1.323 -10.261 1.00 0.00 H new ATOM 0 HD2 LYS A 58 6.179 -3.652 -8.459 1.00 0.00 H new ATOM 0 HD3 LYS A 58 5.501 -3.917 -10.053 1.00 0.00 H new ATOM 0 HE2 LYS A 58 7.358 -2.496 -11.011 1.00 0.00 H new ATOM 0 HE3 LYS A 58 8.064 -2.416 -9.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 9.078 -4.148 -10.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 8.166 -4.845 -9.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 7.578 -4.866 -10.994 1.00 0.00 H new ATOM 923 N GLY A 59 6.967 0.855 -6.016 1.00 0.00 N ATOM 924 CA GLY A 59 6.987 2.156 -5.400 1.00 0.00 C ATOM 925 C GLY A 59 6.797 2.072 -3.918 1.00 0.00 C ATOM 926 O GLY A 59 6.403 1.018 -3.397 1.00 0.00 O ATOM 0 H GLY A 59 6.730 0.085 -5.390 1.00 0.00 H new ATOM 0 HA2 GLY A 59 7.936 2.647 -5.618 1.00 0.00 H new ATOM 0 HA3 GLY A 59 6.201 2.775 -5.833 1.00 0.00 H new ATOM 930 N GLU A 60 7.074 3.147 -3.238 1.00 0.00 N ATOM 931 CA GLU A 60 6.938 3.204 -1.812 1.00 0.00 C ATOM 932 C GLU A 60 5.999 4.353 -1.472 1.00 0.00 C ATOM 933 O GLU A 60 6.297 5.524 -1.732 1.00 0.00 O ATOM 934 CB GLU A 60 8.314 3.357 -1.175 1.00 0.00 C ATOM 935 CG GLU A 60 8.331 3.346 0.331 1.00 0.00 C ATOM 936 CD GLU A 60 9.734 3.374 0.861 1.00 0.00 C ATOM 937 OE1 GLU A 60 10.345 4.452 0.893 1.00 0.00 O ATOM 938 OE2 GLU A 60 10.251 2.316 1.253 1.00 0.00 O ATOM 0 H GLU A 60 7.403 4.015 -3.661 1.00 0.00 H new ATOM 0 HA GLU A 60 6.509 2.285 -1.414 1.00 0.00 H new ATOM 0 HB2 GLU A 60 8.954 2.552 -1.535 1.00 0.00 H new ATOM 0 HB3 GLU A 60 8.754 4.293 -1.520 1.00 0.00 H new ATOM 0 HG2 GLU A 60 7.780 4.207 0.709 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.820 2.455 0.696 1.00 0.00 H new ATOM 945 N LEU A 61 4.873 4.007 -0.903 1.00 0.00 N ATOM 946 CA LEU A 61 3.774 4.947 -0.707 1.00 0.00 C ATOM 947 C LEU A 61 3.870 5.759 0.561 1.00 0.00 C ATOM 948 O LEU A 61 4.422 6.838 0.573 1.00 0.00 O ATOM 949 CB LEU A 61 2.394 4.238 -0.829 1.00 0.00 C ATOM 950 CG LEU A 61 2.002 3.654 -2.217 1.00 0.00 C ATOM 951 CD1 LEU A 61 2.973 2.599 -2.702 1.00 0.00 C ATOM 952 CD2 LEU A 61 0.616 3.071 -2.161 1.00 0.00 C ATOM 0 H LEU A 61 4.682 3.066 -0.558 1.00 0.00 H new ATOM 0 HA LEU A 61 3.864 5.671 -1.517 1.00 0.00 H new ATOM 0 HB2 LEU A 61 2.369 3.425 -0.104 1.00 0.00 H new ATOM 0 HB3 LEU A 61 1.623 4.951 -0.535 1.00 0.00 H new ATOM 0 HG LEU A 61 2.034 4.481 -2.927 1.00 0.00 H new ATOM 0 HD11 LEU A 61 2.650 2.227 -3.674 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.968 3.034 -2.792 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.001 1.775 -1.989 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.352 2.665 -3.138 1.00 0.00 H new ATOM 0 HD22 LEU A 61 0.586 2.275 -1.417 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -0.096 3.850 -1.888 1.00 0.00 H new ATOM 964 N THR A 62 3.284 5.216 1.572 1.00 0.00 N ATOM 965 CA THR A 62 3.201 5.712 2.967 1.00 0.00 C ATOM 966 C THR A 62 2.108 6.786 3.194 1.00 0.00 C ATOM 967 O THR A 62 1.832 7.160 4.342 1.00 0.00 O ATOM 968 CB THR A 62 4.575 6.143 3.617 1.00 0.00 C ATOM 969 OG1 THR A 62 5.172 7.283 2.957 1.00 0.00 O ATOM 970 CG2 THR A 62 5.560 4.983 3.610 1.00 0.00 C ATOM 0 H THR A 62 2.794 4.327 1.468 1.00 0.00 H new ATOM 0 HA THR A 62 2.890 4.819 3.508 1.00 0.00 H new ATOM 0 HB THR A 62 4.351 6.433 4.643 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.693 7.466 2.122 1.00 0.00 H new ATOM 0 HG21 THR A 62 6.500 5.301 4.062 1.00 0.00 H new ATOM 0 HG22 THR A 62 5.146 4.151 4.180 1.00 0.00 H new ATOM 0 HG23 THR A 62 5.741 4.665 2.583 1.00 0.00 H new ATOM 978 N ASP A 63 1.436 7.211 2.125 1.00 0.00 N ATOM 979 CA ASP A 63 0.388 8.236 2.251 1.00 0.00 C ATOM 980 C ASP A 63 -0.944 7.605 2.382 1.00 0.00 C ATOM 981 O ASP A 63 -1.321 6.786 1.561 1.00 0.00 O ATOM 982 CB ASP A 63 0.327 9.187 1.053 1.00 0.00 C ATOM 983 CG ASP A 63 1.562 10.023 0.860 1.00 0.00 C ATOM 984 OD1 ASP A 63 1.664 11.088 1.494 1.00 0.00 O ATOM 985 OD2 ASP A 63 2.427 9.660 0.050 1.00 0.00 O ATOM 0 H ASP A 63 1.591 6.872 1.176 1.00 0.00 H new ATOM 0 HA ASP A 63 0.648 8.809 3.141 1.00 0.00 H new ATOM 0 HB2 ASP A 63 0.154 8.603 0.149 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.530 9.849 1.174 1.00 0.00 H new ATOM 990 N GLY A 64 -1.661 7.984 3.395 1.00 0.00 N ATOM 991 CA GLY A 64 -2.977 7.466 3.581 1.00 0.00 C ATOM 992 C GLY A 64 -4.000 8.538 3.690 1.00 0.00 C ATOM 993 O GLY A 64 -5.151 8.259 3.972 1.00 0.00 O ATOM 0 H GLY A 64 -1.355 8.650 4.104 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.228 6.812 2.746 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -2.999 6.854 4.483 1.00 0.00 H new ATOM 997 N ALA A 65 -3.577 9.779 3.492 1.00 0.00 N ATOM 998 CA ALA A 65 -4.503 10.900 3.462 1.00 0.00 C ATOM 999 C ALA A 65 -5.346 10.789 2.209 1.00 0.00 C ATOM 1000 O ALA A 65 -6.438 11.350 2.105 1.00 0.00 O ATOM 1001 CB ALA A 65 -3.743 12.219 3.483 1.00 0.00 C ATOM 0 H ALA A 65 -2.600 10.034 3.350 1.00 0.00 H new ATOM 0 HA ALA A 65 -5.146 10.875 4.342 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -4.451 13.047 3.460 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -3.144 12.279 4.391 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.089 12.276 2.613 1.00 0.00 H new ATOM 1007 N LYS A 66 -4.823 10.043 1.265 1.00 0.00 N ATOM 1008 CA LYS A 66 -5.484 9.768 0.036 1.00 0.00 C ATOM 1009 C LYS A 66 -5.852 8.289 -0.003 1.00 0.00 C ATOM 1010 O LYS A 66 -5.387 7.498 0.841 1.00 0.00 O ATOM 1011 CB LYS A 66 -4.580 10.134 -1.140 1.00 0.00 C ATOM 1012 CG LYS A 66 -3.217 9.453 -1.116 1.00 0.00 C ATOM 1013 CD LYS A 66 -2.423 9.743 -2.379 1.00 0.00 C ATOM 1014 CE LYS A 66 -2.102 11.215 -2.563 1.00 0.00 C ATOM 1015 NZ LYS A 66 -1.484 11.447 -3.879 1.00 0.00 N ATOM 0 H LYS A 66 -3.905 9.606 1.343 1.00 0.00 H new ATOM 0 HA LYS A 66 -6.392 10.366 -0.041 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -5.088 9.873 -2.069 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -4.434 11.214 -1.149 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -2.655 9.794 -0.246 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -3.350 8.376 -1.008 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -1.492 9.176 -2.353 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -2.987 9.391 -3.243 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -3.013 11.806 -2.473 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -1.427 11.548 -1.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -1.395 12.470 -4.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -0.541 11.009 -3.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -2.079 11.026 -4.621 1.00 0.00 H new ATOM 1029 N SER A 67 -6.655 7.912 -0.955 1.00 0.00 N ATOM 1030 CA SER A 67 -7.085 6.574 -1.078 1.00 0.00 C ATOM 1031 C SER A 67 -6.163 5.781 -1.941 1.00 0.00 C ATOM 1032 O SER A 67 -5.307 6.336 -2.641 1.00 0.00 O ATOM 1033 CB SER A 67 -8.475 6.554 -1.654 1.00 0.00 C ATOM 1034 OG SER A 67 -8.569 7.418 -2.785 1.00 0.00 O ATOM 0 H SER A 67 -7.026 8.540 -1.668 1.00 0.00 H new ATOM 0 HA SER A 67 -7.084 6.117 -0.088 1.00 0.00 H new ATOM 0 HB2 SER A 67 -8.738 5.537 -1.945 1.00 0.00 H new ATOM 0 HB3 SER A 67 -9.193 6.863 -0.894 1.00 0.00 H new ATOM 0 HG SER A 67 -9.480 7.388 -3.145 1.00 0.00 H new ATOM 1040 N LEU A 68 -6.345 4.491 -1.910 1.00 0.00 N ATOM 1041 CA LEU A 68 -5.596 3.571 -2.706 1.00 0.00 C ATOM 1042 C LEU A 68 -5.841 3.821 -4.182 1.00 0.00 C ATOM 1043 O LEU A 68 -4.974 3.574 -5.022 1.00 0.00 O ATOM 1044 CB LEU A 68 -6.010 2.182 -2.322 1.00 0.00 C ATOM 1045 CG LEU A 68 -5.510 1.619 -0.971 1.00 0.00 C ATOM 1046 CD1 LEU A 68 -4.055 1.234 -1.035 1.00 0.00 C ATOM 1047 CD2 LEU A 68 -5.722 2.559 0.207 1.00 0.00 C ATOM 0 H LEU A 68 -7.039 4.042 -1.312 1.00 0.00 H new ATOM 0 HA LEU A 68 -4.528 3.702 -2.529 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -7.099 2.149 -2.314 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.677 1.505 -3.109 1.00 0.00 H new ATOM 0 HG LEU A 68 -6.123 0.735 -0.798 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.739 0.843 -0.068 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.914 0.470 -1.799 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.457 2.111 -1.284 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -5.346 2.092 1.117 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -5.187 3.492 0.029 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -6.786 2.767 0.319 1.00 0.00 H new ATOM 1059 N LYS A 69 -7.017 4.343 -4.485 1.00 0.00 N ATOM 1060 CA LYS A 69 -7.379 4.692 -5.839 1.00 0.00 C ATOM 1061 C LYS A 69 -6.477 5.833 -6.312 1.00 0.00 C ATOM 1062 O LYS A 69 -5.995 5.829 -7.439 1.00 0.00 O ATOM 1063 CB LYS A 69 -8.895 5.059 -5.892 1.00 0.00 C ATOM 1064 CG LYS A 69 -9.502 5.384 -7.278 1.00 0.00 C ATOM 1065 CD LYS A 69 -9.062 6.739 -7.823 1.00 0.00 C ATOM 1066 CE LYS A 69 -9.698 7.035 -9.168 1.00 0.00 C ATOM 1067 NZ LYS A 69 -9.319 8.373 -9.666 1.00 0.00 N ATOM 0 H LYS A 69 -7.744 4.535 -3.796 1.00 0.00 H new ATOM 0 HA LYS A 69 -7.230 3.850 -6.515 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -9.457 4.229 -5.464 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -9.056 5.920 -5.244 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -9.216 4.605 -7.985 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -10.589 5.364 -7.205 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -9.330 7.521 -7.113 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -7.977 6.757 -7.922 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -9.393 6.278 -9.890 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -10.783 6.973 -9.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -9.772 8.542 -10.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -9.632 9.097 -8.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -8.286 8.424 -9.774 1.00 0.00 H new ATOM 1081 N ASP A 70 -6.216 6.779 -5.426 1.00 0.00 N ATOM 1082 CA ASP A 70 -5.366 7.936 -5.749 1.00 0.00 C ATOM 1083 C ASP A 70 -3.908 7.483 -5.784 1.00 0.00 C ATOM 1084 O ASP A 70 -3.110 7.942 -6.599 1.00 0.00 O ATOM 1085 CB ASP A 70 -5.527 9.008 -4.675 1.00 0.00 C ATOM 1086 CG ASP A 70 -4.912 10.355 -5.050 1.00 0.00 C ATOM 1087 OD1 ASP A 70 -3.674 10.458 -5.196 1.00 0.00 O ATOM 1088 OD2 ASP A 70 -5.672 11.340 -5.167 1.00 0.00 O ATOM 0 H ASP A 70 -6.577 6.778 -4.472 1.00 0.00 H new ATOM 0 HA ASP A 70 -5.658 8.345 -6.716 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -6.589 9.148 -4.471 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -5.069 8.655 -3.751 1.00 0.00 H new ATOM 1093 N LEU A 71 -3.605 6.523 -4.930 1.00 0.00 N ATOM 1094 CA LEU A 71 -2.254 5.961 -4.781 1.00 0.00 C ATOM 1095 C LEU A 71 -1.871 5.077 -5.964 1.00 0.00 C ATOM 1096 O LEU A 71 -0.703 4.719 -6.125 1.00 0.00 O ATOM 1097 CB LEU A 71 -2.174 5.139 -3.482 1.00 0.00 C ATOM 1098 CG LEU A 71 -2.216 5.918 -2.158 1.00 0.00 C ATOM 1099 CD1 LEU A 71 -2.418 4.976 -0.988 1.00 0.00 C ATOM 1100 CD2 LEU A 71 -0.917 6.685 -1.973 1.00 0.00 C ATOM 0 H LEU A 71 -4.292 6.099 -4.307 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.553 6.794 -4.744 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.998 4.426 -3.481 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.251 4.559 -3.505 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.053 6.615 -2.194 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.445 5.548 -0.061 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.359 4.440 -1.111 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.596 4.262 -0.950 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -0.951 7.236 -1.033 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -0.081 5.986 -1.954 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.786 7.384 -2.799 1.00 0.00 H new ATOM 1112 N GLY A 72 -2.845 4.728 -6.780 1.00 0.00 N ATOM 1113 CA GLY A 72 -2.570 3.935 -7.949 1.00 0.00 C ATOM 1114 C GLY A 72 -2.514 2.468 -7.633 1.00 0.00 C ATOM 1115 O GLY A 72 -1.906 1.686 -8.355 1.00 0.00 O ATOM 0 H GLY A 72 -3.825 4.981 -6.652 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -3.340 4.115 -8.699 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -1.621 4.248 -8.385 1.00 0.00 H new ATOM 1119 N VAL A 73 -3.153 2.088 -6.568 1.00 0.00 N ATOM 1120 CA VAL A 73 -3.176 0.718 -6.175 1.00 0.00 C ATOM 1121 C VAL A 73 -4.419 0.066 -6.745 1.00 0.00 C ATOM 1122 O VAL A 73 -5.546 0.465 -6.434 1.00 0.00 O ATOM 1123 CB VAL A 73 -3.176 0.567 -4.636 1.00 0.00 C ATOM 1124 CG1 VAL A 73 -3.145 -0.902 -4.240 1.00 0.00 C ATOM 1125 CG2 VAL A 73 -1.998 1.305 -4.030 1.00 0.00 C ATOM 0 H VAL A 73 -3.669 2.717 -5.953 1.00 0.00 H new ATOM 0 HA VAL A 73 -2.278 0.234 -6.558 1.00 0.00 H new ATOM 0 HB VAL A 73 -4.095 1.006 -4.249 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -3.145 -0.986 -3.153 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -4.023 -1.406 -4.643 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -2.244 -1.368 -4.639 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -2.014 1.188 -2.946 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -1.069 0.895 -4.426 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -2.063 2.364 -4.282 1.00 0.00 H new ATOM 1135 N ARG A 74 -4.215 -0.879 -7.617 1.00 0.00 N ATOM 1136 CA ARG A 74 -5.303 -1.648 -8.171 1.00 0.00 C ATOM 1137 C ARG A 74 -5.311 -3.004 -7.487 1.00 0.00 C ATOM 1138 O ARG A 74 -4.506 -3.243 -6.588 1.00 0.00 O ATOM 1139 CB ARG A 74 -5.179 -1.830 -9.712 1.00 0.00 C ATOM 1140 CG ARG A 74 -5.338 -0.560 -10.578 1.00 0.00 C ATOM 1141 CD ARG A 74 -4.212 0.458 -10.408 1.00 0.00 C ATOM 1142 NE ARG A 74 -4.437 1.658 -11.236 1.00 0.00 N ATOM 1143 CZ ARG A 74 -3.524 2.613 -11.500 1.00 0.00 C ATOM 1144 NH1 ARG A 74 -2.285 2.505 -11.046 1.00 0.00 N ATOM 1145 NH2 ARG A 74 -3.858 3.665 -12.232 1.00 0.00 N ATOM 0 H ARG A 74 -3.293 -1.141 -7.966 1.00 0.00 H new ATOM 0 HA ARG A 74 -6.235 -1.111 -7.996 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -4.203 -2.267 -9.925 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -5.929 -2.554 -10.030 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -5.393 -0.853 -11.626 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -6.286 -0.082 -10.331 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -4.137 0.747 -9.360 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -3.262 -0.000 -10.681 1.00 0.00 H new ATOM 0 HE ARG A 74 -5.364 1.775 -11.644 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -2.014 1.693 -10.491 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -1.601 3.233 -11.251 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -4.807 3.752 -12.596 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -3.166 4.388 -12.432 1.00 0.00 H new ATOM 1159 N ASP A 75 -6.192 -3.882 -7.893 1.00 0.00 N ATOM 1160 CA ASP A 75 -6.245 -5.215 -7.304 1.00 0.00 C ATOM 1161 C ASP A 75 -5.154 -6.080 -7.882 1.00 0.00 C ATOM 1162 O ASP A 75 -4.600 -5.777 -8.944 1.00 0.00 O ATOM 1163 CB ASP A 75 -7.605 -5.887 -7.528 1.00 0.00 C ATOM 1164 CG ASP A 75 -7.932 -6.107 -8.992 1.00 0.00 C ATOM 1165 OD1 ASP A 75 -8.429 -5.168 -9.644 1.00 0.00 O ATOM 1166 OD2 ASP A 75 -7.692 -7.218 -9.512 1.00 0.00 O ATOM 0 H ASP A 75 -6.882 -3.709 -8.624 1.00 0.00 H new ATOM 0 HA ASP A 75 -6.099 -5.102 -6.230 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -7.617 -6.847 -7.012 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -8.384 -5.273 -7.077 1.00 0.00 H new ATOM 1171 N GLY A 76 -4.844 -7.143 -7.193 1.00 0.00 N ATOM 1172 CA GLY A 76 -3.800 -8.049 -7.663 1.00 0.00 C ATOM 1173 C GLY A 76 -2.400 -7.544 -7.338 1.00 0.00 C ATOM 1174 O GLY A 76 -1.404 -7.988 -7.928 1.00 0.00 O ATOM 0 H GLY A 76 -5.285 -7.412 -6.314 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -3.943 -9.030 -7.210 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -3.895 -8.179 -8.741 1.00 0.00 H new ATOM 1178 N TYR A 77 -2.325 -6.603 -6.432 1.00 0.00 N ATOM 1179 CA TYR A 77 -1.060 -6.052 -6.004 1.00 0.00 C ATOM 1180 C TYR A 77 -0.687 -6.508 -4.622 1.00 0.00 C ATOM 1181 O TYR A 77 -1.545 -6.890 -3.814 1.00 0.00 O ATOM 1182 CB TYR A 77 -1.042 -4.527 -6.109 1.00 0.00 C ATOM 1183 CG TYR A 77 -0.876 -4.020 -7.522 1.00 0.00 C ATOM 1184 CD1 TYR A 77 -1.942 -3.930 -8.404 1.00 0.00 C ATOM 1185 CD2 TYR A 77 0.369 -3.628 -7.968 1.00 0.00 C ATOM 1186 CE1 TYR A 77 -1.760 -3.463 -9.693 1.00 0.00 C ATOM 1187 CE2 TYR A 77 0.560 -3.163 -9.243 1.00 0.00 C ATOM 1188 CZ TYR A 77 -0.503 -3.082 -10.103 1.00 0.00 C ATOM 1189 OH TYR A 77 -0.306 -2.611 -11.382 1.00 0.00 O ATOM 0 H TYR A 77 -3.137 -6.196 -5.969 1.00 0.00 H new ATOM 0 HA TYR A 77 -0.303 -6.437 -6.687 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -1.970 -4.132 -5.697 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -0.230 -4.138 -5.495 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -2.928 -4.229 -8.080 1.00 0.00 H new ATOM 0 HD2 TYR A 77 1.213 -3.689 -7.297 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -2.597 -3.398 -10.372 1.00 0.00 H new ATOM 0 HE2 TYR A 77 1.545 -2.862 -9.568 1.00 0.00 H new ATOM 0 HH TYR A 77 0.640 -2.386 -11.506 1.00 0.00 H new ATOM 1199 N ARG A 78 0.585 -6.482 -4.356 1.00 0.00 N ATOM 1200 CA ARG A 78 1.104 -6.890 -3.093 1.00 0.00 C ATOM 1201 C ARG A 78 1.567 -5.691 -2.315 1.00 0.00 C ATOM 1202 O ARG A 78 2.417 -4.931 -2.771 1.00 0.00 O ATOM 1203 CB ARG A 78 2.250 -7.888 -3.284 1.00 0.00 C ATOM 1204 CG ARG A 78 1.803 -9.207 -3.877 1.00 0.00 C ATOM 1205 CD ARG A 78 2.968 -10.123 -4.170 1.00 0.00 C ATOM 1206 NE ARG A 78 2.501 -11.436 -4.626 1.00 0.00 N ATOM 1207 CZ ARG A 78 2.897 -12.055 -5.736 1.00 0.00 C ATOM 1208 NH1 ARG A 78 3.762 -11.473 -6.549 1.00 0.00 N ATOM 1209 NH2 ARG A 78 2.421 -13.262 -6.036 1.00 0.00 N ATOM 0 H ARG A 78 1.296 -6.173 -5.019 1.00 0.00 H new ATOM 0 HA ARG A 78 0.313 -7.385 -2.529 1.00 0.00 H new ATOM 0 HB2 ARG A 78 3.005 -7.444 -3.932 1.00 0.00 H new ATOM 0 HB3 ARG A 78 2.726 -8.073 -2.321 1.00 0.00 H new ATOM 0 HG2 ARG A 78 1.119 -9.701 -3.187 1.00 0.00 H new ATOM 0 HG3 ARG A 78 1.249 -9.021 -4.797 1.00 0.00 H new ATOM 0 HD2 ARG A 78 3.605 -9.675 -4.932 1.00 0.00 H new ATOM 0 HD3 ARG A 78 3.577 -10.241 -3.274 1.00 0.00 H new ATOM 0 HE ARG A 78 1.815 -11.916 -4.043 1.00 0.00 H new ATOM 0 HH11 ARG A 78 4.128 -10.547 -6.326 1.00 0.00 H new ATOM 0 HH12 ARG A 78 4.064 -11.950 -7.399 1.00 0.00 H new ATOM 0 HH21 ARG A 78 1.751 -13.715 -5.414 1.00 0.00 H new ATOM 0 HH22 ARG A 78 2.726 -13.734 -6.887 1.00 0.00 H new ATOM 1223 N ILE A 79 1.008 -5.511 -1.164 1.00 0.00 N ATOM 1224 CA ILE A 79 1.388 -4.423 -0.310 1.00 0.00 C ATOM 1225 C ILE A 79 2.282 -4.965 0.759 1.00 0.00 C ATOM 1226 O ILE A 79 1.940 -5.928 1.443 1.00 0.00 O ATOM 1227 CB ILE A 79 0.163 -3.703 0.317 1.00 0.00 C ATOM 1228 CG1 ILE A 79 -0.729 -3.096 -0.778 1.00 0.00 C ATOM 1229 CG2 ILE A 79 0.593 -2.628 1.317 1.00 0.00 C ATOM 1230 CD1 ILE A 79 -0.039 -2.062 -1.658 1.00 0.00 C ATOM 0 H ILE A 79 0.275 -6.111 -0.785 1.00 0.00 H new ATOM 0 HA ILE A 79 1.908 -3.673 -0.907 1.00 0.00 H new ATOM 0 HB ILE A 79 -0.414 -4.450 0.862 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -1.103 -3.901 -1.411 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -1.596 -2.632 -0.307 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -0.291 -2.146 1.735 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.170 -3.088 2.120 1.00 0.00 H new ATOM 0 HG23 ILE A 79 1.207 -1.884 0.810 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -0.743 -1.688 -2.401 1.00 0.00 H new ATOM 0 HD12 ILE A 79 0.310 -1.234 -1.041 1.00 0.00 H new ATOM 0 HD13 ILE A 79 0.811 -2.522 -2.162 1.00 0.00 H new ATOM 1242 N HIS A 80 3.419 -4.394 0.879 1.00 0.00 N ATOM 1243 CA HIS A 80 4.388 -4.837 1.813 1.00 0.00 C ATOM 1244 C HIS A 80 4.532 -3.854 2.948 1.00 0.00 C ATOM 1245 O HIS A 80 4.710 -2.670 2.727 1.00 0.00 O ATOM 1246 CB HIS A 80 5.732 -5.068 1.102 1.00 0.00 C ATOM 1247 CG HIS A 80 6.847 -5.420 2.021 1.00 0.00 C ATOM 1248 ND1 HIS A 80 7.003 -6.669 2.555 1.00 0.00 N ATOM 1249 CD2 HIS A 80 7.825 -4.656 2.539 1.00 0.00 C ATOM 1250 CE1 HIS A 80 8.021 -6.670 3.380 1.00 0.00 C ATOM 1251 NE2 HIS A 80 8.552 -5.456 3.390 1.00 0.00 N ATOM 0 H HIS A 80 3.711 -3.591 0.322 1.00 0.00 H new ATOM 0 HA HIS A 80 4.056 -5.783 2.242 1.00 0.00 H new ATOM 0 HB2 HIS A 80 5.612 -5.866 0.370 1.00 0.00 H new ATOM 0 HB3 HIS A 80 6.000 -4.167 0.550 1.00 0.00 H new ATOM 0 HD2 HIS A 80 8.005 -3.612 2.327 1.00 0.00 H new ATOM 0 HE1 HIS A 80 8.368 -7.516 3.954 1.00 0.00 H new ATOM 0 HE2 HIS A 80 9.362 -5.164 3.936 1.00 0.00 H new ATOM 1260 N ALA A 81 4.436 -4.348 4.143 1.00 0.00 N ATOM 1261 CA ALA A 81 4.640 -3.545 5.305 1.00 0.00 C ATOM 1262 C ALA A 81 5.892 -3.999 6.005 1.00 0.00 C ATOM 1263 O ALA A 81 6.197 -5.195 6.034 1.00 0.00 O ATOM 1264 CB ALA A 81 3.449 -3.647 6.227 1.00 0.00 C ATOM 0 H ALA A 81 4.213 -5.324 4.339 1.00 0.00 H new ATOM 0 HA ALA A 81 4.752 -2.501 5.012 1.00 0.00 H new ATOM 0 HB1 ALA A 81 3.618 -3.030 7.109 1.00 0.00 H new ATOM 0 HB2 ALA A 81 2.556 -3.300 5.707 1.00 0.00 H new ATOM 0 HB3 ALA A 81 3.312 -4.685 6.531 1.00 0.00 H new ATOM 1270 N VAL A 82 6.627 -3.076 6.521 1.00 0.00 N ATOM 1271 CA VAL A 82 7.823 -3.382 7.235 1.00 0.00 C ATOM 1272 C VAL A 82 7.973 -2.410 8.382 1.00 0.00 C ATOM 1273 O VAL A 82 7.726 -1.205 8.221 1.00 0.00 O ATOM 1274 CB VAL A 82 9.071 -3.351 6.290 1.00 0.00 C ATOM 1275 CG1 VAL A 82 9.303 -1.980 5.677 1.00 0.00 C ATOM 1276 CG2 VAL A 82 10.322 -3.863 6.977 1.00 0.00 C ATOM 0 H VAL A 82 6.416 -2.080 6.460 1.00 0.00 H new ATOM 0 HA VAL A 82 7.756 -4.395 7.633 1.00 0.00 H new ATOM 0 HB VAL A 82 8.845 -4.034 5.471 1.00 0.00 H new ATOM 0 HG11 VAL A 82 10.180 -2.014 5.031 1.00 0.00 H new ATOM 0 HG12 VAL A 82 8.431 -1.692 5.090 1.00 0.00 H new ATOM 0 HG13 VAL A 82 9.465 -1.250 6.470 1.00 0.00 H new ATOM 0 HG21 VAL A 82 11.161 -3.822 6.282 1.00 0.00 H new ATOM 0 HG22 VAL A 82 10.540 -3.242 7.846 1.00 0.00 H new ATOM 0 HG23 VAL A 82 10.166 -4.893 7.297 1.00 0.00 H new ATOM 1286 N ASP A 83 8.292 -2.911 9.546 1.00 0.00 N ATOM 1287 CA ASP A 83 8.459 -2.078 10.656 1.00 0.00 C ATOM 1288 C ASP A 83 9.865 -1.542 10.663 1.00 0.00 C ATOM 1289 O ASP A 83 10.833 -2.247 10.332 1.00 0.00 O ATOM 1290 CB ASP A 83 8.175 -2.817 11.952 1.00 0.00 C ATOM 1291 CG ASP A 83 9.310 -3.695 12.437 1.00 0.00 C ATOM 1292 OD1 ASP A 83 9.359 -4.866 12.055 1.00 0.00 O ATOM 1293 OD2 ASP A 83 10.164 -3.205 13.231 1.00 0.00 O ATOM 0 H ASP A 83 8.438 -3.904 9.728 1.00 0.00 H new ATOM 0 HA ASP A 83 7.748 -1.255 10.584 1.00 0.00 H new ATOM 0 HB2 ASP A 83 7.940 -2.088 12.727 1.00 0.00 H new ATOM 0 HB3 ASP A 83 7.287 -3.435 11.816 1.00 0.00 H new ATOM 1298 N VAL A 84 9.976 -0.308 10.983 1.00 0.00 N ATOM 1299 CA VAL A 84 11.245 0.341 11.069 1.00 0.00 C ATOM 1300 C VAL A 84 11.503 0.665 12.554 1.00 0.00 C ATOM 1301 O VAL A 84 12.472 1.326 12.917 1.00 0.00 O ATOM 1302 CB VAL A 84 11.236 1.650 10.217 1.00 0.00 C ATOM 1303 CG1 VAL A 84 12.627 2.219 10.041 1.00 0.00 C ATOM 1304 CG2 VAL A 84 10.577 1.428 8.861 1.00 0.00 C ATOM 0 H VAL A 84 9.182 0.295 11.197 1.00 0.00 H new ATOM 0 HA VAL A 84 12.034 -0.303 10.681 1.00 0.00 H new ATOM 0 HB VAL A 84 10.645 2.380 10.770 1.00 0.00 H new ATOM 0 HG11 VAL A 84 12.575 3.129 9.443 1.00 0.00 H new ATOM 0 HG12 VAL A 84 13.051 2.451 11.018 1.00 0.00 H new ATOM 0 HG13 VAL A 84 13.258 1.488 9.536 1.00 0.00 H new ATOM 0 HG21 VAL A 84 10.588 2.359 8.294 1.00 0.00 H new ATOM 0 HG22 VAL A 84 11.124 0.662 8.311 1.00 0.00 H new ATOM 0 HG23 VAL A 84 9.547 1.104 9.006 1.00 0.00 H new ATOM 1314 N THR A 85 10.634 0.138 13.421 1.00 0.00 N ATOM 1315 CA THR A 85 10.716 0.433 14.842 1.00 0.00 C ATOM 1316 C THR A 85 11.696 -0.488 15.534 1.00 0.00 C ATOM 1317 O THR A 85 12.383 -0.087 16.469 1.00 0.00 O ATOM 1318 CB THR A 85 9.314 0.339 15.529 1.00 0.00 C ATOM 1319 OG1 THR A 85 9.397 0.647 16.924 1.00 0.00 O ATOM 1320 CG2 THR A 85 8.696 -1.045 15.360 1.00 0.00 C ATOM 0 H THR A 85 9.873 -0.490 13.160 1.00 0.00 H new ATOM 0 HA THR A 85 11.074 1.458 14.937 1.00 0.00 H new ATOM 0 HB THR A 85 8.677 1.073 15.036 1.00 0.00 H new ATOM 0 HG1 THR A 85 8.506 0.582 17.327 1.00 0.00 H new ATOM 0 HG21 THR A 85 7.723 -1.071 15.851 1.00 0.00 H new ATOM 0 HG22 THR A 85 8.573 -1.262 14.299 1.00 0.00 H new ATOM 0 HG23 THR A 85 9.349 -1.793 15.810 1.00 0.00 H new