USER MOD reduce.3.24.130724 H: found=0, std=0, add=620, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 623 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= -0.328 K(o=-0.24,f=-2.7) USER MOD Set 1.2: A 88 GLN : amide:sc= 0.0884 K(o=-0.24,f=-1.7) USER MOD Set 2.1: A 74 GLN : amide:sc= -3.45! C(o=-8.7!,f=-13!) USER MOD Set 2.2: A 77 MET CE :methyl -176:sc= -5.23! (180deg=-5.29!) USER MOD Set 3.1: A 44 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.173) USER MOD Set 3.2: A 54 MET CE :methyl -137:sc= -0.247 (180deg=-2.85!) USER MOD Set 4.1: A 18 ASN : amide:sc= -0.0201 X(o=-0.02,f=-0.18) USER MOD Set 4.2: A 20 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0449) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0.23) USER MOD Single : A 16 HIS : no HD1:sc= -0.361 X(o=-0.36,f=-0.019) USER MOD Single : A 24 GLN : amide:sc= -0.283 X(o=-0.28,f=-0.16) USER MOD Single : A 27 SER OG : rot 180:sc= -0.202 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS : no HE2:sc= 0.316 K(o=0.32,f=-1.1) USER MOD Single : A 37 THR OG1 : rot 100:sc= -1.18 USER MOD Single : A 40 SER OG : rot 180:sc= -0.212 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl 163:sc= -3 (180deg=-3.2!) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot -79:sc= 1 USER MOD Single : A 50 GLN : amide:sc= -0.358 K(o=-0.36,f=-3.2!) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 ASN : amide:sc= -0.0518 K(o=-0.052,f=-3!) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.565 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 14 -20.322 -0.042 3.546 1.00 0.00 N ATOM 2 CA ASN A 14 -19.680 -0.813 4.649 1.00 0.00 C ATOM 3 C ASN A 14 -18.824 -1.964 4.107 1.00 0.00 C ATOM 4 O ASN A 14 -18.877 -3.085 4.619 1.00 0.00 O ATOM 5 CB ASN A 14 -20.778 -1.358 5.574 1.00 0.00 C ATOM 6 CG ASN A 14 -20.315 -1.480 7.017 1.00 0.00 C ATOM 7 OD1 ASN A 14 -19.275 -2.076 7.298 1.00 0.00 O ATOM 8 ND2 ASN A 14 -21.087 -0.918 7.942 1.00 0.00 N ATOM 0 HA ASN A 14 -19.017 -0.149 5.203 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -21.646 -0.701 5.529 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -21.099 -2.336 5.215 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -20.825 -0.972 8.926 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -21.941 -0.433 7.667 1.00 0.00 H new ATOM 17 N ASP A 15 -18.030 -1.677 3.071 1.00 0.00 N ATOM 18 CA ASP A 15 -17.158 -2.681 2.465 1.00 0.00 C ATOM 19 C ASP A 15 -15.688 -2.322 2.687 1.00 0.00 C ATOM 20 O ASP A 15 -15.366 -1.186 3.044 1.00 0.00 O ATOM 21 CB ASP A 15 -17.450 -2.810 0.963 1.00 0.00 C ATOM 22 CG ASP A 15 -18.183 -4.095 0.618 1.00 0.00 C ATOM 23 OD1 ASP A 15 -17.758 -5.171 1.094 1.00 0.00 O ATOM 24 OD2 ASP A 15 -19.183 -4.025 -0.128 1.00 0.00 O ATOM 0 H ASP A 15 -17.975 -0.756 2.636 1.00 0.00 H new ATOM 0 HA ASP A 15 -17.357 -3.640 2.944 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -18.047 -1.958 0.638 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -16.512 -2.772 0.410 1.00 0.00 H new ATOM 29 N HIS A 16 -14.800 -3.296 2.479 1.00 0.00 N ATOM 30 CA HIS A 16 -13.367 -3.080 2.661 1.00 0.00 C ATOM 31 C HIS A 16 -12.563 -3.767 1.561 1.00 0.00 C ATOM 32 O HIS A 16 -12.758 -4.953 1.285 1.00 0.00 O ATOM 33 CB HIS A 16 -12.919 -3.596 4.032 1.00 0.00 C ATOM 34 CG HIS A 16 -13.132 -2.614 5.143 1.00 0.00 C ATOM 35 ND1 HIS A 16 -13.505 -2.989 6.416 1.00 0.00 N ATOM 36 CD2 HIS A 16 -13.020 -1.264 5.169 1.00 0.00 C ATOM 37 CE1 HIS A 16 -13.615 -1.914 7.176 1.00 0.00 C ATOM 38 NE2 HIS A 16 -13.327 -0.855 6.443 1.00 0.00 N ATOM 0 H HIS A 16 -15.049 -4.240 2.185 1.00 0.00 H new ATOM 0 HA HIS A 16 -13.181 -2.007 2.604 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -13.462 -4.513 4.260 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -11.861 -3.855 3.985 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -12.741 -0.628 4.342 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -13.893 -1.904 8.219 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -13.332 0.111 6.770 1.00 0.00 H new ATOM 47 N ILE A 17 -11.656 -3.013 0.940 1.00 0.00 N ATOM 48 CA ILE A 17 -10.817 -3.544 -0.130 1.00 0.00 C ATOM 49 C ILE A 17 -9.641 -4.341 0.436 1.00 0.00 C ATOM 50 O ILE A 17 -8.889 -3.849 1.279 1.00 0.00 O ATOM 51 CB ILE A 17 -10.292 -2.423 -1.058 1.00 0.00 C ATOM 52 CG1 ILE A 17 -9.379 -1.455 -0.294 1.00 0.00 C ATOM 53 CG2 ILE A 17 -11.459 -1.673 -1.689 1.00 0.00 C ATOM 54 CD1 ILE A 17 -8.910 -0.276 -1.122 1.00 0.00 C ATOM 0 H ILE A 17 -11.485 -2.032 1.161 1.00 0.00 H new ATOM 0 HA ILE A 17 -11.444 -4.211 -0.722 1.00 0.00 H new ATOM 0 HB ILE A 17 -9.701 -2.884 -1.850 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -9.911 -1.083 0.582 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -8.509 -2.001 0.069 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -11.077 -0.887 -2.340 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -12.063 -2.366 -2.274 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -12.073 -1.229 -0.905 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -8.269 0.363 -0.515 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -8.349 -0.637 -1.984 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -9.773 0.295 -1.464 1.00 0.00 H new ATOM 66 N ASN A 18 -9.497 -5.580 -0.029 1.00 0.00 N ATOM 67 CA ASN A 18 -8.424 -6.461 0.429 1.00 0.00 C ATOM 68 C ASN A 18 -7.139 -6.237 -0.372 1.00 0.00 C ATOM 69 O ASN A 18 -7.036 -6.647 -1.530 1.00 0.00 O ATOM 70 CB ASN A 18 -8.863 -7.923 0.316 1.00 0.00 C ATOM 71 CG ASN A 18 -7.851 -8.882 0.915 1.00 0.00 C ATOM 72 OD1 ASN A 18 -7.332 -9.760 0.227 1.00 0.00 O ATOM 73 ND2 ASN A 18 -7.560 -8.715 2.203 1.00 0.00 N ATOM 0 H ASN A 18 -10.113 -5.998 -0.726 1.00 0.00 H new ATOM 0 HA ASN A 18 -8.216 -6.225 1.473 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -9.822 -8.051 0.819 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -9.018 -8.172 -0.734 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -6.883 -9.328 2.657 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -8.014 -7.974 2.736 1.00 0.00 H new ATOM 80 N LEU A 19 -6.159 -5.588 0.257 1.00 0.00 N ATOM 81 CA LEU A 19 -4.881 -5.312 -0.393 1.00 0.00 C ATOM 82 C LEU A 19 -3.780 -6.229 0.131 1.00 0.00 C ATOM 83 O LEU A 19 -3.529 -6.290 1.337 1.00 0.00 O ATOM 84 CB LEU A 19 -4.482 -3.851 -0.177 1.00 0.00 C ATOM 85 CG LEU A 19 -4.662 -2.945 -1.396 1.00 0.00 C ATOM 86 CD1 LEU A 19 -5.030 -1.536 -0.960 1.00 0.00 C ATOM 87 CD2 LEU A 19 -3.396 -2.932 -2.241 1.00 0.00 C ATOM 0 H LEU A 19 -6.227 -5.244 1.215 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.004 -5.501 -1.459 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.070 -3.447 0.647 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.437 -3.817 0.131 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.476 -3.340 -2.004 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -5.154 -0.904 -1.839 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -5.963 -1.561 -0.396 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.237 -1.131 -0.331 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.541 -2.283 -3.104 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.564 -2.560 -1.643 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.175 -3.944 -2.581 1.00 0.00 H new ATOM 99 N LYS A 20 -3.117 -6.931 -0.790 1.00 0.00 N ATOM 100 CA LYS A 20 -2.029 -7.840 -0.439 1.00 0.00 C ATOM 101 C LYS A 20 -0.687 -7.114 -0.529 1.00 0.00 C ATOM 102 O LYS A 20 -0.055 -7.091 -1.588 1.00 0.00 O ATOM 103 CB LYS A 20 -2.033 -9.059 -1.369 1.00 0.00 C ATOM 104 CG LYS A 20 -2.824 -10.243 -0.830 1.00 0.00 C ATOM 105 CD LYS A 20 -4.322 -10.051 -1.023 1.00 0.00 C ATOM 106 CE LYS A 20 -4.747 -10.353 -2.453 1.00 0.00 C ATOM 107 NZ LYS A 20 -6.088 -9.786 -2.769 1.00 0.00 N ATOM 0 H LYS A 20 -3.317 -6.885 -1.789 1.00 0.00 H new ATOM 0 HA LYS A 20 -2.177 -8.182 0.585 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -2.448 -8.766 -2.334 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -1.004 -9.372 -1.546 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -2.505 -11.155 -1.336 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -2.607 -10.374 0.230 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -4.864 -10.702 -0.337 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -4.593 -9.026 -0.771 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -4.009 -9.945 -3.144 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -4.765 -11.432 -2.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -6.295 -9.926 -3.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -6.812 -10.267 -2.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -6.095 -8.769 -2.552 1.00 0.00 H new ATOM 121 N VAL A 21 -0.264 -6.514 0.582 1.00 0.00 N ATOM 122 CA VAL A 21 0.997 -5.779 0.624 1.00 0.00 C ATOM 123 C VAL A 21 2.180 -6.725 0.817 1.00 0.00 C ATOM 124 O VAL A 21 2.460 -7.170 1.933 1.00 0.00 O ATOM 125 CB VAL A 21 1.002 -4.716 1.745 1.00 0.00 C ATOM 126 CG1 VAL A 21 2.225 -3.818 1.625 1.00 0.00 C ATOM 127 CG2 VAL A 21 -0.279 -3.891 1.710 1.00 0.00 C ATOM 0 H VAL A 21 -0.776 -6.523 1.464 1.00 0.00 H new ATOM 0 HA VAL A 21 1.097 -5.272 -0.336 1.00 0.00 H new ATOM 0 HB VAL A 21 1.049 -5.230 2.705 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.211 -3.076 2.423 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.129 -4.422 1.707 1.00 0.00 H new ATOM 0 HG13 VAL A 21 2.212 -3.313 0.659 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.255 -3.148 2.507 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.361 -3.387 0.747 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.138 -4.547 1.850 1.00 0.00 H new ATOM 137 N ALA A 22 2.867 -7.031 -0.284 1.00 0.00 N ATOM 138 CA ALA A 22 4.019 -7.925 -0.253 1.00 0.00 C ATOM 139 C ALA A 22 5.326 -7.142 -0.319 1.00 0.00 C ATOM 140 O ALA A 22 5.648 -6.539 -1.344 1.00 0.00 O ATOM 141 CB ALA A 22 3.942 -8.924 -1.398 1.00 0.00 C ATOM 0 H ALA A 22 2.642 -6.670 -1.211 1.00 0.00 H new ATOM 0 HA ALA A 22 4.000 -8.468 0.692 1.00 0.00 H new ATOM 0 HB1 ALA A 22 4.808 -9.585 -1.363 1.00 0.00 H new ATOM 0 HB2 ALA A 22 3.031 -9.515 -1.305 1.00 0.00 H new ATOM 0 HB3 ALA A 22 3.932 -8.389 -2.348 1.00 0.00 H new ATOM 147 N GLY A 23 6.076 -7.161 0.779 1.00 0.00 N ATOM 148 CA GLY A 23 7.342 -6.455 0.830 1.00 0.00 C ATOM 149 C GLY A 23 8.463 -7.228 0.165 1.00 0.00 C ATOM 150 O GLY A 23 8.488 -8.460 0.209 1.00 0.00 O ATOM 0 H GLY A 23 5.828 -7.655 1.636 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.234 -5.486 0.343 1.00 0.00 H new ATOM 0 HA3 GLY A 23 7.605 -6.261 1.870 1.00 0.00 H new ATOM 154 N GLN A 24 9.392 -6.503 -0.452 1.00 0.00 N ATOM 155 CA GLN A 24 10.527 -7.120 -1.134 1.00 0.00 C ATOM 156 C GLN A 24 11.608 -7.542 -0.133 1.00 0.00 C ATOM 157 O GLN A 24 12.769 -7.143 -0.251 1.00 0.00 O ATOM 158 CB GLN A 24 11.100 -6.145 -2.168 1.00 0.00 C ATOM 159 CG GLN A 24 12.113 -6.766 -3.121 1.00 0.00 C ATOM 160 CD GLN A 24 13.494 -6.148 -2.988 1.00 0.00 C ATOM 161 OE1 GLN A 24 14.497 -6.856 -2.902 1.00 0.00 O ATOM 162 NE2 GLN A 24 13.554 -4.820 -2.970 1.00 0.00 N ATOM 0 H GLN A 24 9.381 -5.484 -0.494 1.00 0.00 H new ATOM 0 HA GLN A 24 10.180 -8.018 -1.645 1.00 0.00 H new ATOM 0 HB2 GLN A 24 10.279 -5.728 -2.751 1.00 0.00 H new ATOM 0 HB3 GLN A 24 11.573 -5.315 -1.644 1.00 0.00 H new ATOM 0 HG2 GLN A 24 12.178 -7.837 -2.929 1.00 0.00 H new ATOM 0 HG3 GLN A 24 11.763 -6.647 -4.146 1.00 0.00 H new ATOM 0 HE21 GLN A 24 12.698 -4.270 -3.044 1.00 0.00 H new ATOM 0 HE22 GLN A 24 14.456 -4.351 -2.882 1.00 0.00 H new ATOM 171 N ASP A 25 11.216 -8.359 0.848 1.00 0.00 N ATOM 172 CA ASP A 25 12.145 -8.850 1.867 1.00 0.00 C ATOM 173 C ASP A 25 11.446 -9.805 2.844 1.00 0.00 C ATOM 174 O ASP A 25 11.684 -9.758 4.053 1.00 0.00 O ATOM 175 CB ASP A 25 12.780 -7.680 2.630 1.00 0.00 C ATOM 176 CG ASP A 25 14.273 -7.865 2.821 1.00 0.00 C ATOM 177 OD1 ASP A 25 14.669 -8.489 3.828 1.00 0.00 O ATOM 178 OD2 ASP A 25 15.045 -7.392 1.961 1.00 0.00 O ATOM 0 H ASP A 25 10.259 -8.695 0.958 1.00 0.00 H new ATOM 0 HA ASP A 25 12.933 -9.404 1.357 1.00 0.00 H new ATOM 0 HB2 ASP A 25 12.597 -6.752 2.088 1.00 0.00 H new ATOM 0 HB3 ASP A 25 12.300 -7.580 3.604 1.00 0.00 H new ATOM 183 N GLY A 26 10.588 -10.678 2.308 1.00 0.00 N ATOM 184 CA GLY A 26 9.875 -11.637 3.138 1.00 0.00 C ATOM 185 C GLY A 26 8.878 -10.983 4.082 1.00 0.00 C ATOM 186 O GLY A 26 9.124 -10.906 5.288 1.00 0.00 O ATOM 0 H GLY A 26 10.376 -10.736 1.312 1.00 0.00 H new ATOM 0 HA2 GLY A 26 9.349 -12.344 2.496 1.00 0.00 H new ATOM 0 HA3 GLY A 26 10.596 -12.211 3.721 1.00 0.00 H new ATOM 190 N SER A 27 7.754 -10.512 3.537 1.00 0.00 N ATOM 191 CA SER A 27 6.721 -9.861 4.348 1.00 0.00 C ATOM 192 C SER A 27 5.411 -9.711 3.570 1.00 0.00 C ATOM 193 O SER A 27 5.304 -8.867 2.679 1.00 0.00 O ATOM 194 CB SER A 27 7.205 -8.484 4.823 1.00 0.00 C ATOM 195 OG SER A 27 7.804 -7.755 3.762 1.00 0.00 O ATOM 0 H SER A 27 7.536 -10.568 2.542 1.00 0.00 H new ATOM 0 HA SER A 27 6.532 -10.495 5.214 1.00 0.00 H new ATOM 0 HB2 SER A 27 6.364 -7.919 5.226 1.00 0.00 H new ATOM 0 HB3 SER A 27 7.923 -8.608 5.633 1.00 0.00 H new ATOM 0 HG SER A 27 8.101 -6.882 4.092 1.00 0.00 H new ATOM 201 N VAL A 28 4.415 -10.529 3.913 1.00 0.00 N ATOM 202 CA VAL A 28 3.114 -10.476 3.244 1.00 0.00 C ATOM 203 C VAL A 28 1.986 -10.221 4.243 1.00 0.00 C ATOM 204 O VAL A 28 1.639 -11.092 5.043 1.00 0.00 O ATOM 205 CB VAL A 28 2.821 -11.769 2.448 1.00 0.00 C ATOM 206 CG1 VAL A 28 3.636 -11.792 1.165 1.00 0.00 C ATOM 207 CG2 VAL A 28 3.095 -13.012 3.289 1.00 0.00 C ATOM 0 H VAL A 28 4.483 -11.234 4.647 1.00 0.00 H new ATOM 0 HA VAL A 28 3.160 -9.644 2.541 1.00 0.00 H new ATOM 0 HB VAL A 28 1.762 -11.776 2.188 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.421 -12.707 0.614 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.374 -10.929 0.552 1.00 0.00 H new ATOM 0 HG13 VAL A 28 4.698 -11.756 1.408 1.00 0.00 H new ATOM 0 HG21 VAL A 28 2.879 -13.904 2.701 1.00 0.00 H new ATOM 0 HG22 VAL A 28 4.142 -13.022 3.593 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.460 -12.999 4.175 1.00 0.00 H new ATOM 217 N VAL A 29 1.424 -9.011 4.192 1.00 0.00 N ATOM 218 CA VAL A 29 0.339 -8.619 5.091 1.00 0.00 C ATOM 219 C VAL A 29 -0.917 -8.221 4.308 1.00 0.00 C ATOM 220 O VAL A 29 -0.826 -7.720 3.184 1.00 0.00 O ATOM 221 CB VAL A 29 0.759 -7.439 5.996 1.00 0.00 C ATOM 222 CG1 VAL A 29 -0.283 -7.190 7.077 1.00 0.00 C ATOM 223 CG2 VAL A 29 2.127 -7.688 6.620 1.00 0.00 C ATOM 0 H VAL A 29 1.705 -8.284 3.534 1.00 0.00 H new ATOM 0 HA VAL A 29 0.116 -9.487 5.711 1.00 0.00 H new ATOM 0 HB VAL A 29 0.828 -6.548 5.372 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.034 -6.355 7.702 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -1.240 -6.953 6.612 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -0.390 -8.084 7.692 1.00 0.00 H new ATOM 0 HG21 VAL A 29 2.398 -6.842 7.252 1.00 0.00 H new ATOM 0 HG22 VAL A 29 2.092 -8.595 7.223 1.00 0.00 H new ATOM 0 HG23 VAL A 29 2.871 -7.805 5.832 1.00 0.00 H new ATOM 233 N GLN A 30 -2.087 -8.443 4.914 1.00 0.00 N ATOM 234 CA GLN A 30 -3.365 -8.105 4.282 1.00 0.00 C ATOM 235 C GLN A 30 -4.033 -6.919 4.985 1.00 0.00 C ATOM 236 O GLN A 30 -4.441 -7.026 6.145 1.00 0.00 O ATOM 237 CB GLN A 30 -4.305 -9.316 4.307 1.00 0.00 C ATOM 238 CG GLN A 30 -4.147 -10.245 3.113 1.00 0.00 C ATOM 239 CD GLN A 30 -4.350 -11.704 3.478 1.00 0.00 C ATOM 240 OE1 GLN A 30 -5.399 -12.084 4.000 1.00 0.00 O ATOM 241 NE2 GLN A 30 -3.347 -12.531 3.206 1.00 0.00 N ATOM 0 H GLN A 30 -2.175 -8.856 5.843 1.00 0.00 H new ATOM 0 HA GLN A 30 -3.163 -7.824 3.248 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -4.127 -9.882 5.221 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -5.335 -8.963 4.346 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -4.864 -9.964 2.341 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -3.152 -10.116 2.686 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -2.495 -12.174 2.773 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -3.429 -13.523 3.430 1.00 0.00 H new ATOM 250 N PHE A 31 -4.147 -5.794 4.274 1.00 0.00 N ATOM 251 CA PHE A 31 -4.772 -4.590 4.824 1.00 0.00 C ATOM 252 C PHE A 31 -6.175 -4.385 4.245 1.00 0.00 C ATOM 253 O PHE A 31 -6.453 -4.785 3.112 1.00 0.00 O ATOM 254 CB PHE A 31 -3.900 -3.359 4.542 1.00 0.00 C ATOM 255 CG PHE A 31 -3.417 -2.665 5.789 1.00 0.00 C ATOM 256 CD1 PHE A 31 -4.197 -1.698 6.407 1.00 0.00 C ATOM 257 CD2 PHE A 31 -2.186 -2.980 6.343 1.00 0.00 C ATOM 258 CE1 PHE A 31 -3.756 -1.060 7.552 1.00 0.00 C ATOM 259 CE2 PHE A 31 -1.741 -2.344 7.488 1.00 0.00 C ATOM 260 CZ PHE A 31 -2.528 -1.384 8.093 1.00 0.00 C ATOM 0 H PHE A 31 -3.814 -5.693 3.315 1.00 0.00 H new ATOM 0 HA PHE A 31 -4.863 -4.720 5.902 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -3.038 -3.663 3.948 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -4.469 -2.651 3.939 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -5.159 -1.441 5.989 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.567 -3.731 5.875 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -4.372 -0.308 8.023 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -0.779 -2.598 7.908 1.00 0.00 H new ATOM 0 HZ PHE A 31 -2.183 -0.887 8.988 1.00 0.00 H new ATOM 270 N LYS A 32 -7.055 -3.763 5.036 1.00 0.00 N ATOM 271 CA LYS A 32 -8.431 -3.508 4.610 1.00 0.00 C ATOM 272 C LYS A 32 -8.830 -2.051 4.853 1.00 0.00 C ATOM 273 O LYS A 32 -8.735 -1.554 5.978 1.00 0.00 O ATOM 274 CB LYS A 32 -9.394 -4.441 5.351 1.00 0.00 C ATOM 275 CG LYS A 32 -9.404 -5.862 4.808 1.00 0.00 C ATOM 276 CD LYS A 32 -10.804 -6.458 4.820 1.00 0.00 C ATOM 277 CE LYS A 32 -10.992 -7.465 3.693 1.00 0.00 C ATOM 278 NZ LYS A 32 -11.280 -8.836 4.204 1.00 0.00 N ATOM 0 H LYS A 32 -6.837 -3.428 5.974 1.00 0.00 H new ATOM 0 HA LYS A 32 -8.490 -3.702 3.539 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -9.122 -4.466 6.406 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -10.402 -4.031 5.291 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -9.016 -5.865 3.790 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -8.738 -6.485 5.405 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -10.985 -6.945 5.778 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -11.541 -5.661 4.723 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -11.810 -7.140 3.050 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -10.093 -7.490 3.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -11.400 -9.487 3.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -10.489 -9.159 4.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -12.152 -8.819 4.770 1.00 0.00 H new ATOM 292 N ILE A 33 -9.280 -1.375 3.790 1.00 0.00 N ATOM 293 CA ILE A 33 -9.701 0.029 3.878 1.00 0.00 C ATOM 294 C ILE A 33 -10.864 0.324 2.927 1.00 0.00 C ATOM 295 O ILE A 33 -11.328 -0.561 2.206 1.00 0.00 O ATOM 296 CB ILE A 33 -8.536 0.997 3.563 1.00 0.00 C ATOM 297 CG1 ILE A 33 -7.968 0.721 2.167 1.00 0.00 C ATOM 298 CG2 ILE A 33 -7.447 0.882 4.619 1.00 0.00 C ATOM 299 CD1 ILE A 33 -7.510 1.968 1.438 1.00 0.00 C ATOM 0 H ILE A 33 -9.362 -1.778 2.857 1.00 0.00 H new ATOM 0 HA ILE A 33 -10.026 0.189 4.906 1.00 0.00 H new ATOM 0 HB ILE A 33 -8.922 2.016 3.578 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -7.127 0.033 2.256 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -8.728 0.219 1.568 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -6.636 1.570 4.381 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -7.860 1.132 5.596 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -7.064 -0.138 4.637 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -7.120 1.694 0.458 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -8.353 2.649 1.316 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -6.727 2.460 2.015 1.00 0.00 H new ATOM 311 N LYS A 34 -11.326 1.578 2.928 1.00 0.00 N ATOM 312 CA LYS A 34 -12.432 1.994 2.062 1.00 0.00 C ATOM 313 C LYS A 34 -11.959 2.191 0.620 1.00 0.00 C ATOM 314 O LYS A 34 -10.792 2.507 0.378 1.00 0.00 O ATOM 315 CB LYS A 34 -13.074 3.290 2.581 1.00 0.00 C ATOM 316 CG LYS A 34 -12.077 4.401 2.891 1.00 0.00 C ATOM 317 CD LYS A 34 -12.493 5.718 2.252 1.00 0.00 C ATOM 318 CE LYS A 34 -12.105 6.909 3.118 1.00 0.00 C ATOM 319 NZ LYS A 34 -13.294 7.690 3.564 1.00 0.00 N ATOM 0 H LYS A 34 -10.952 2.321 3.518 1.00 0.00 H new ATOM 0 HA LYS A 34 -13.178 1.199 2.077 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -13.785 3.652 1.839 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -13.642 3.065 3.484 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -11.997 4.529 3.971 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -11.089 4.116 2.529 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -12.024 5.812 1.272 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -13.571 5.720 2.091 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -11.554 6.558 3.991 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -11.433 7.560 2.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -12.983 8.491 4.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -13.806 8.048 2.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -13.923 7.077 4.121 1.00 0.00 H new ATOM 333 N ARG A 35 -12.873 2.007 -0.335 1.00 0.00 N ATOM 334 CA ARG A 35 -12.551 2.167 -1.752 1.00 0.00 C ATOM 335 C ARG A 35 -12.881 3.581 -2.234 1.00 0.00 C ATOM 336 O ARG A 35 -13.685 3.772 -3.151 1.00 0.00 O ATOM 337 CB ARG A 35 -13.302 1.127 -2.593 1.00 0.00 C ATOM 338 CG ARG A 35 -12.544 0.690 -3.840 1.00 0.00 C ATOM 339 CD ARG A 35 -12.975 1.476 -5.071 1.00 0.00 C ATOM 340 NE ARG A 35 -13.627 0.623 -6.065 1.00 0.00 N ATOM 341 CZ ARG A 35 -14.944 0.388 -6.105 1.00 0.00 C ATOM 342 NH1 ARG A 35 -15.761 0.942 -5.212 1.00 0.00 N ATOM 343 NH2 ARG A 35 -15.444 -0.407 -7.046 1.00 0.00 N ATOM 0 H ARG A 35 -13.842 1.747 -0.151 1.00 0.00 H new ATOM 0 HA ARG A 35 -11.480 2.009 -1.875 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -13.506 0.252 -1.976 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -14.266 1.539 -2.890 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -11.474 0.824 -3.680 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -12.710 -0.373 -4.012 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -13.657 2.272 -4.772 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -12.104 1.954 -5.519 1.00 0.00 H new ATOM 0 HE ARG A 35 -13.041 0.179 -6.772 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -15.385 1.553 -4.487 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -16.763 0.755 -5.253 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -14.824 -0.835 -7.734 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -16.447 -0.589 -7.080 1.00 0.00 H new ATOM 357 N HIS A 36 -12.247 4.569 -1.607 1.00 0.00 N ATOM 358 CA HIS A 36 -12.452 5.972 -1.959 1.00 0.00 C ATOM 359 C HIS A 36 -11.404 6.857 -1.283 1.00 0.00 C ATOM 360 O HIS A 36 -11.709 7.953 -0.805 1.00 0.00 O ATOM 361 CB HIS A 36 -13.866 6.421 -1.566 1.00 0.00 C ATOM 362 CG HIS A 36 -14.634 7.030 -2.698 1.00 0.00 C ATOM 363 ND1 HIS A 36 -14.989 6.325 -3.828 1.00 0.00 N ATOM 364 CD2 HIS A 36 -15.115 8.285 -2.873 1.00 0.00 C ATOM 365 CE1 HIS A 36 -15.650 7.119 -4.652 1.00 0.00 C ATOM 366 NE2 HIS A 36 -15.742 8.313 -4.095 1.00 0.00 N ATOM 0 H HIS A 36 -11.582 4.422 -0.847 1.00 0.00 H new ATOM 0 HA HIS A 36 -12.342 6.074 -3.039 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -14.418 5.563 -1.183 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -13.797 7.144 -0.753 1.00 0.00 H new ATOM 0 HD1 HIS A 36 -14.775 5.343 -4.001 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -15.023 9.109 -2.181 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -16.047 6.839 -5.617 1.00 0.00 H new ATOM 375 N THR A 37 -10.165 6.367 -1.241 1.00 0.00 N ATOM 376 CA THR A 37 -9.068 7.102 -0.621 1.00 0.00 C ATOM 377 C THR A 37 -7.729 6.745 -1.274 1.00 0.00 C ATOM 378 O THR A 37 -7.515 5.599 -1.678 1.00 0.00 O ATOM 379 CB THR A 37 -9.022 6.806 0.885 1.00 0.00 C ATOM 380 OG1 THR A 37 -7.901 7.430 1.489 1.00 0.00 O ATOM 381 CG2 THR A 37 -8.955 5.327 1.212 1.00 0.00 C ATOM 0 H THR A 37 -9.898 5.463 -1.630 1.00 0.00 H new ATOM 0 HA THR A 37 -9.242 8.168 -0.769 1.00 0.00 H new ATOM 0 HB THR A 37 -9.957 7.204 1.279 1.00 0.00 H new ATOM 0 HG1 THR A 37 -8.186 8.257 1.930 1.00 0.00 H new ATOM 0 HG21 THR A 37 -8.925 5.194 2.294 1.00 0.00 H new ATOM 0 HG22 THR A 37 -9.835 4.825 0.809 1.00 0.00 H new ATOM 0 HG23 THR A 37 -8.057 4.897 0.769 1.00 0.00 H new ATOM 389 N PRO A 38 -6.808 7.728 -1.385 1.00 0.00 N ATOM 390 CA PRO A 38 -5.481 7.519 -1.988 1.00 0.00 C ATOM 391 C PRO A 38 -4.622 6.537 -1.188 1.00 0.00 C ATOM 392 O PRO A 38 -4.919 6.241 -0.030 1.00 0.00 O ATOM 393 CB PRO A 38 -4.855 8.921 -1.971 1.00 0.00 C ATOM 394 CG PRO A 38 -5.588 9.657 -0.904 1.00 0.00 C ATOM 395 CD PRO A 38 -6.989 9.118 -0.927 1.00 0.00 C ATOM 0 HA PRO A 38 -5.553 7.082 -2.984 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -3.787 8.874 -1.756 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -4.964 9.414 -2.937 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -5.124 9.500 0.070 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -5.579 10.731 -1.092 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -7.453 9.160 0.059 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -7.628 9.685 -1.604 1.00 0.00 H new ATOM 403 N LEU A 39 -3.555 6.034 -1.817 1.00 0.00 N ATOM 404 CA LEU A 39 -2.649 5.080 -1.163 1.00 0.00 C ATOM 405 C LEU A 39 -2.070 5.638 0.140 1.00 0.00 C ATOM 406 O LEU A 39 -1.727 4.876 1.043 1.00 0.00 O ATOM 407 CB LEU A 39 -1.504 4.686 -2.107 1.00 0.00 C ATOM 408 CG LEU A 39 -1.772 3.461 -2.987 1.00 0.00 C ATOM 409 CD1 LEU A 39 -0.609 3.224 -3.939 1.00 0.00 C ATOM 410 CD2 LEU A 39 -2.017 2.229 -2.128 1.00 0.00 C ATOM 0 H LEU A 39 -3.297 6.270 -2.775 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.240 4.197 -0.919 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.280 5.535 -2.753 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.612 4.496 -1.510 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.668 3.652 -3.578 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.816 2.350 -4.556 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.478 4.097 -4.578 1.00 0.00 H new ATOM 0 HD13 LEU A 39 0.302 3.055 -3.365 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.206 1.369 -2.771 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.140 2.035 -1.511 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.882 2.399 -1.486 1.00 0.00 H new ATOM 422 N SER A 40 -1.960 6.965 0.231 1.00 0.00 N ATOM 423 CA SER A 40 -1.419 7.618 1.424 1.00 0.00 C ATOM 424 C SER A 40 -2.119 7.136 2.698 1.00 0.00 C ATOM 425 O SER A 40 -1.483 6.993 3.743 1.00 0.00 O ATOM 426 CB SER A 40 -1.551 9.138 1.301 1.00 0.00 C ATOM 427 OG SER A 40 -2.869 9.509 0.934 1.00 0.00 O ATOM 0 H SER A 40 -2.239 7.609 -0.509 1.00 0.00 H new ATOM 0 HA SER A 40 -0.365 7.350 1.497 1.00 0.00 H new ATOM 0 HB2 SER A 40 -1.289 9.607 2.250 1.00 0.00 H new ATOM 0 HB3 SER A 40 -0.845 9.508 0.557 1.00 0.00 H new ATOM 0 HG SER A 40 -2.927 10.485 0.864 1.00 0.00 H new ATOM 433 N LYS A 41 -3.427 6.883 2.606 1.00 0.00 N ATOM 434 CA LYS A 41 -4.198 6.416 3.756 1.00 0.00 C ATOM 435 C LYS A 41 -3.626 5.109 4.302 1.00 0.00 C ATOM 436 O LYS A 41 -3.148 5.060 5.437 1.00 0.00 O ATOM 437 CB LYS A 41 -5.671 6.229 3.380 1.00 0.00 C ATOM 438 CG LYS A 41 -6.635 6.691 4.460 1.00 0.00 C ATOM 439 CD LYS A 41 -6.607 8.203 4.630 1.00 0.00 C ATOM 440 CE LYS A 41 -6.839 8.604 6.080 1.00 0.00 C ATOM 441 NZ LYS A 41 -7.268 10.026 6.211 1.00 0.00 N ATOM 0 H LYS A 41 -3.971 6.994 1.750 1.00 0.00 H new ATOM 0 HA LYS A 41 -4.129 7.175 4.535 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -5.876 6.779 2.461 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -5.853 5.175 3.168 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -7.646 6.372 4.206 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -6.378 6.214 5.406 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -5.646 8.591 4.293 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -7.372 8.656 3.999 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -7.598 7.956 6.517 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -5.922 8.449 6.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -7.414 10.253 7.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -6.533 10.648 5.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -8.157 10.170 5.691 1.00 0.00 H new ATOM 455 N LEU A 42 -3.665 4.054 3.484 1.00 0.00 N ATOM 456 CA LEU A 42 -3.137 2.753 3.891 1.00 0.00 C ATOM 457 C LEU A 42 -1.622 2.819 4.094 1.00 0.00 C ATOM 458 O LEU A 42 -1.072 2.084 4.913 1.00 0.00 O ATOM 459 CB LEU A 42 -3.492 1.666 2.868 1.00 0.00 C ATOM 460 CG LEU A 42 -3.085 1.955 1.420 1.00 0.00 C ATOM 461 CD1 LEU A 42 -1.695 1.405 1.129 1.00 0.00 C ATOM 462 CD2 LEU A 42 -4.111 1.365 0.462 1.00 0.00 C ATOM 0 H LEU A 42 -4.055 4.076 2.542 1.00 0.00 H new ATOM 0 HA LEU A 42 -3.602 2.490 4.841 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -3.021 0.733 3.179 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -4.570 1.504 2.897 1.00 0.00 H new ATOM 0 HG LEU A 42 -3.054 3.035 1.276 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.427 1.622 0.095 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.972 1.872 1.797 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -1.690 0.326 1.286 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -3.813 1.576 -0.565 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.168 0.287 0.609 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -5.087 1.810 0.655 1.00 0.00 H new ATOM 474 N MET A 43 -0.955 3.710 3.353 1.00 0.00 N ATOM 475 CA MET A 43 0.493 3.876 3.468 1.00 0.00 C ATOM 476 C MET A 43 0.878 4.264 4.893 1.00 0.00 C ATOM 477 O MET A 43 1.772 3.661 5.487 1.00 0.00 O ATOM 478 CB MET A 43 0.999 4.940 2.486 1.00 0.00 C ATOM 479 CG MET A 43 1.340 4.391 1.110 1.00 0.00 C ATOM 480 SD MET A 43 2.865 3.430 1.105 1.00 0.00 S ATOM 481 CE MET A 43 3.535 3.866 -0.498 1.00 0.00 C ATOM 0 H MET A 43 -1.396 4.325 2.669 1.00 0.00 H new ATOM 0 HA MET A 43 0.960 2.922 3.222 1.00 0.00 H new ATOM 0 HB2 MET A 43 0.239 5.714 2.380 1.00 0.00 H new ATOM 0 HB3 MET A 43 1.884 5.417 2.906 1.00 0.00 H new ATOM 0 HG2 MET A 43 0.519 3.765 0.759 1.00 0.00 H new ATOM 0 HG3 MET A 43 1.434 5.218 0.406 1.00 0.00 H new ATOM 0 HE1 MET A 43 4.593 3.606 -0.533 1.00 0.00 H new ATOM 0 HE2 MET A 43 3.001 3.320 -1.276 1.00 0.00 H new ATOM 0 HE3 MET A 43 3.419 4.937 -0.662 1.00 0.00 H new ATOM 491 N LYS A 44 0.191 5.267 5.441 1.00 0.00 N ATOM 492 CA LYS A 44 0.460 5.723 6.802 1.00 0.00 C ATOM 493 C LYS A 44 0.087 4.645 7.822 1.00 0.00 C ATOM 494 O LYS A 44 0.792 4.448 8.811 1.00 0.00 O ATOM 495 CB LYS A 44 -0.310 7.013 7.098 1.00 0.00 C ATOM 496 CG LYS A 44 0.501 8.274 6.835 1.00 0.00 C ATOM 497 CD LYS A 44 -0.347 9.531 6.966 1.00 0.00 C ATOM 498 CE LYS A 44 -0.141 10.204 8.317 1.00 0.00 C ATOM 499 NZ LYS A 44 -0.807 9.459 9.424 1.00 0.00 N ATOM 0 H LYS A 44 -0.553 5.777 4.964 1.00 0.00 H new ATOM 0 HA LYS A 44 1.528 5.923 6.885 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -1.213 7.037 6.488 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -0.629 7.006 8.140 1.00 0.00 H new ATOM 0 HG2 LYS A 44 1.334 8.323 7.537 1.00 0.00 H new ATOM 0 HG3 LYS A 44 0.930 8.228 5.834 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -0.092 10.228 6.168 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -1.399 9.276 6.842 1.00 0.00 H new ATOM 0 HE2 LYS A 44 0.926 10.281 8.524 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -0.532 11.221 8.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -0.802 10.041 10.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -1.789 9.244 9.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -0.295 8.572 9.602 1.00 0.00 H new ATOM 513 N ALA A 45 -1.025 3.949 7.572 1.00 0.00 N ATOM 514 CA ALA A 45 -1.487 2.891 8.468 1.00 0.00 C ATOM 515 C ALA A 45 -0.559 1.677 8.427 1.00 0.00 C ATOM 516 O ALA A 45 -0.196 1.133 9.468 1.00 0.00 O ATOM 517 CB ALA A 45 -2.911 2.481 8.118 1.00 0.00 C ATOM 0 H ALA A 45 -1.620 4.100 6.757 1.00 0.00 H new ATOM 0 HA ALA A 45 -1.473 3.287 9.483 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -3.239 1.692 8.795 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -3.572 3.342 8.216 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -2.942 2.115 7.092 1.00 0.00 H new ATOM 523 N TYR A 46 -0.180 1.256 7.218 1.00 0.00 N ATOM 524 CA TYR A 46 0.706 0.105 7.039 1.00 0.00 C ATOM 525 C TYR A 46 2.069 0.353 7.687 1.00 0.00 C ATOM 526 O TYR A 46 2.583 -0.504 8.408 1.00 0.00 O ATOM 527 CB TYR A 46 0.881 -0.208 5.547 1.00 0.00 C ATOM 528 CG TYR A 46 1.774 -1.401 5.267 1.00 0.00 C ATOM 529 CD1 TYR A 46 1.329 -2.697 5.499 1.00 0.00 C ATOM 530 CD2 TYR A 46 3.060 -1.230 4.767 1.00 0.00 C ATOM 531 CE1 TYR A 46 2.138 -3.787 5.243 1.00 0.00 C ATOM 532 CE2 TYR A 46 3.875 -2.317 4.507 1.00 0.00 C ATOM 533 CZ TYR A 46 3.409 -3.593 4.746 1.00 0.00 C ATOM 534 OH TYR A 46 4.218 -4.677 4.489 1.00 0.00 O ATOM 0 H TYR A 46 -0.474 1.697 6.347 1.00 0.00 H new ATOM 0 HA TYR A 46 0.246 -0.752 7.530 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -0.100 -0.390 5.107 1.00 0.00 H new ATOM 0 HB3 TYR A 46 1.296 0.668 5.049 1.00 0.00 H new ATOM 0 HD1 TYR A 46 0.333 -2.855 5.886 1.00 0.00 H new ATOM 0 HD2 TYR A 46 3.429 -0.232 4.579 1.00 0.00 H new ATOM 0 HE1 TYR A 46 1.776 -4.787 5.431 1.00 0.00 H new ATOM 0 HE2 TYR A 46 4.872 -2.167 4.119 1.00 0.00 H new ATOM 0 HH TYR A 46 5.080 -4.367 4.142 1.00 0.00 H new ATOM 544 N SER A 47 2.646 1.529 7.431 1.00 0.00 N ATOM 545 CA SER A 47 3.946 1.884 8.000 1.00 0.00 C ATOM 546 C SER A 47 3.876 1.925 9.527 1.00 0.00 C ATOM 547 O SER A 47 4.816 1.516 10.209 1.00 0.00 O ATOM 548 CB SER A 47 4.427 3.234 7.454 1.00 0.00 C ATOM 549 OG SER A 47 3.454 4.246 7.646 1.00 0.00 O ATOM 0 H SER A 47 2.235 2.248 6.836 1.00 0.00 H new ATOM 0 HA SER A 47 4.663 1.117 7.707 1.00 0.00 H new ATOM 0 HB2 SER A 47 5.354 3.520 7.951 1.00 0.00 H new ATOM 0 HB3 SER A 47 4.651 3.139 6.391 1.00 0.00 H new ATOM 0 HG SER A 47 2.761 4.169 6.957 1.00 0.00 H new ATOM 555 N GLU A 48 2.753 2.413 10.057 1.00 0.00 N ATOM 556 CA GLU A 48 2.558 2.499 11.504 1.00 0.00 C ATOM 557 C GLU A 48 2.245 1.126 12.109 1.00 0.00 C ATOM 558 O GLU A 48 2.713 0.804 13.202 1.00 0.00 O ATOM 559 CB GLU A 48 1.432 3.486 11.830 1.00 0.00 C ATOM 560 CG GLU A 48 1.679 4.299 13.091 1.00 0.00 C ATOM 561 CD GLU A 48 0.890 5.594 13.116 1.00 0.00 C ATOM 562 OE1 GLU A 48 -0.345 5.535 13.298 1.00 0.00 O ATOM 563 OE2 GLU A 48 1.506 6.667 12.951 1.00 0.00 O ATOM 0 H GLU A 48 1.966 2.754 9.506 1.00 0.00 H new ATOM 0 HA GLU A 48 3.488 2.858 11.945 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.303 4.167 10.989 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.498 2.935 11.941 1.00 0.00 H new ATOM 0 HG2 GLU A 48 1.414 3.700 13.962 1.00 0.00 H new ATOM 0 HG3 GLU A 48 2.742 4.525 13.171 1.00 0.00 H new ATOM 570 N ARG A 49 1.449 0.325 11.396 1.00 0.00 N ATOM 571 CA ARG A 49 1.065 -1.010 11.864 1.00 0.00 C ATOM 572 C ARG A 49 2.287 -1.898 12.117 1.00 0.00 C ATOM 573 O ARG A 49 2.423 -2.480 13.193 1.00 0.00 O ATOM 574 CB ARG A 49 0.137 -1.686 10.847 1.00 0.00 C ATOM 575 CG ARG A 49 -1.097 -2.330 11.462 1.00 0.00 C ATOM 576 CD ARG A 49 -0.733 -3.494 12.372 1.00 0.00 C ATOM 577 NE ARG A 49 -1.311 -3.347 13.708 1.00 0.00 N ATOM 578 CZ ARG A 49 -2.612 -3.494 13.984 1.00 0.00 C ATOM 579 NH1 ARG A 49 -3.477 -3.803 13.019 1.00 0.00 N ATOM 580 NH2 ARG A 49 -3.048 -3.330 15.227 1.00 0.00 N ATOM 0 H ARG A 49 1.057 0.579 10.489 1.00 0.00 H new ATOM 0 HA ARG A 49 0.539 -0.883 12.810 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -0.181 -0.945 10.113 1.00 0.00 H new ATOM 0 HB3 ARG A 49 0.700 -2.448 10.308 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -1.651 -1.583 12.031 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -1.757 -2.681 10.669 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -1.082 -4.425 11.926 1.00 0.00 H new ATOM 0 HD3 ARG A 49 0.352 -3.566 12.452 1.00 0.00 H new ATOM 0 HE ARG A 49 -0.682 -3.118 14.478 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -3.149 -3.929 12.061 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -4.467 -3.913 13.238 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -2.391 -3.092 15.971 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -4.040 -3.442 15.439 1.00 0.00 H new ATOM 594 N GLN A 50 3.165 -2.008 11.118 1.00 0.00 N ATOM 595 CA GLN A 50 4.363 -2.841 11.242 1.00 0.00 C ATOM 596 C GLN A 50 5.402 -2.195 12.155 1.00 0.00 C ATOM 597 O GLN A 50 5.654 -2.676 13.260 1.00 0.00 O ATOM 598 CB GLN A 50 4.980 -3.109 9.863 1.00 0.00 C ATOM 599 CG GLN A 50 4.515 -4.409 9.225 1.00 0.00 C ATOM 600 CD GLN A 50 5.066 -5.640 9.927 1.00 0.00 C ATOM 601 OE1 GLN A 50 5.543 -5.564 11.060 1.00 0.00 O ATOM 602 NE2 GLN A 50 5.002 -6.783 9.256 1.00 0.00 N ATOM 0 H GLN A 50 3.070 -1.534 10.220 1.00 0.00 H new ATOM 0 HA GLN A 50 4.057 -3.787 11.688 1.00 0.00 H new ATOM 0 HB2 GLN A 50 4.735 -2.281 9.198 1.00 0.00 H new ATOM 0 HB3 GLN A 50 6.066 -3.130 9.959 1.00 0.00 H new ATOM 0 HG2 GLN A 50 3.426 -4.446 9.239 1.00 0.00 H new ATOM 0 HG3 GLN A 50 4.822 -4.425 8.179 1.00 0.00 H new ATOM 0 HE21 GLN A 50 4.599 -6.803 8.319 1.00 0.00 H new ATOM 0 HE22 GLN A 50 5.356 -7.642 9.677 1.00 0.00 H new ATOM 611 N GLY A 51 6.008 -1.110 11.678 1.00 0.00 N ATOM 612 CA GLY A 51 7.022 -0.417 12.452 1.00 0.00 C ATOM 613 C GLY A 51 7.966 0.380 11.571 1.00 0.00 C ATOM 614 O GLY A 51 9.184 0.324 11.744 1.00 0.00 O ATOM 0 H GLY A 51 5.813 -0.698 10.766 1.00 0.00 H new ATOM 0 HA2 GLY A 51 6.539 0.252 13.164 1.00 0.00 H new ATOM 0 HA3 GLY A 51 7.593 -1.142 13.032 1.00 0.00 H new ATOM 618 N LEU A 52 7.396 1.122 10.624 1.00 0.00 N ATOM 619 CA LEU A 52 8.174 1.940 9.704 1.00 0.00 C ATOM 620 C LEU A 52 7.788 3.413 9.857 1.00 0.00 C ATOM 621 O LEU A 52 7.228 3.810 10.880 1.00 0.00 O ATOM 622 CB LEU A 52 7.950 1.474 8.256 1.00 0.00 C ATOM 623 CG LEU A 52 7.990 -0.043 8.039 1.00 0.00 C ATOM 624 CD1 LEU A 52 6.997 -0.456 6.961 1.00 0.00 C ATOM 625 CD2 LEU A 52 9.398 -0.493 7.673 1.00 0.00 C ATOM 0 H LEU A 52 6.388 1.171 10.475 1.00 0.00 H new ATOM 0 HA LEU A 52 9.232 1.829 9.942 1.00 0.00 H new ATOM 0 HB2 LEU A 52 6.983 1.847 7.918 1.00 0.00 H new ATOM 0 HB3 LEU A 52 8.708 1.935 7.623 1.00 0.00 H new ATOM 0 HG LEU A 52 7.705 -0.531 8.971 1.00 0.00 H new ATOM 0 HD11 LEU A 52 7.040 -1.536 6.821 1.00 0.00 H new ATOM 0 HD12 LEU A 52 5.990 -0.169 7.265 1.00 0.00 H new ATOM 0 HD13 LEU A 52 7.249 0.041 6.024 1.00 0.00 H new ATOM 0 HD21 LEU A 52 9.407 -1.573 7.523 1.00 0.00 H new ATOM 0 HD22 LEU A 52 9.712 0.004 6.755 1.00 0.00 H new ATOM 0 HD23 LEU A 52 10.084 -0.233 8.479 1.00 0.00 H new ATOM 637 N SER A 53 8.087 4.217 8.839 1.00 0.00 N ATOM 638 CA SER A 53 7.768 5.643 8.866 1.00 0.00 C ATOM 639 C SER A 53 7.006 6.053 7.609 1.00 0.00 C ATOM 640 O SER A 53 7.041 5.351 6.597 1.00 0.00 O ATOM 641 CB SER A 53 9.049 6.474 8.991 1.00 0.00 C ATOM 642 OG SER A 53 10.113 5.896 8.252 1.00 0.00 O ATOM 0 H SER A 53 8.550 3.905 7.985 1.00 0.00 H new ATOM 0 HA SER A 53 7.135 5.831 9.733 1.00 0.00 H new ATOM 0 HB2 SER A 53 8.864 7.487 8.634 1.00 0.00 H new ATOM 0 HB3 SER A 53 9.333 6.553 10.040 1.00 0.00 H new ATOM 0 HG SER A 53 10.917 6.448 8.349 1.00 0.00 H new ATOM 648 N MET A 54 6.331 7.200 7.673 1.00 0.00 N ATOM 649 CA MET A 54 5.572 7.707 6.531 1.00 0.00 C ATOM 650 C MET A 54 6.396 8.724 5.726 1.00 0.00 C ATOM 651 O MET A 54 5.837 9.609 5.074 1.00 0.00 O ATOM 652 CB MET A 54 4.247 8.334 6.993 1.00 0.00 C ATOM 653 CG MET A 54 4.392 9.344 8.124 1.00 0.00 C ATOM 654 SD MET A 54 4.076 8.623 9.748 1.00 0.00 S ATOM 655 CE MET A 54 2.894 9.790 10.418 1.00 0.00 C ATOM 0 H MET A 54 6.294 7.794 8.501 1.00 0.00 H new ATOM 0 HA MET A 54 5.346 6.863 5.880 1.00 0.00 H new ATOM 0 HB2 MET A 54 3.774 8.824 6.142 1.00 0.00 H new ATOM 0 HB3 MET A 54 3.575 7.539 7.316 1.00 0.00 H new ATOM 0 HG2 MET A 54 5.399 9.761 8.106 1.00 0.00 H new ATOM 0 HG3 MET A 54 3.702 10.171 7.958 1.00 0.00 H new ATOM 0 HE1 MET A 54 3.142 10.003 11.458 1.00 0.00 H new ATOM 0 HE2 MET A 54 2.928 10.714 9.841 1.00 0.00 H new ATOM 0 HE3 MET A 54 1.892 9.365 10.364 1.00 0.00 H new ATOM 665 N ARG A 55 7.726 8.586 5.766 1.00 0.00 N ATOM 666 CA ARG A 55 8.618 9.485 5.034 1.00 0.00 C ATOM 667 C ARG A 55 9.667 8.712 4.219 1.00 0.00 C ATOM 668 O ARG A 55 10.582 9.313 3.653 1.00 0.00 O ATOM 669 CB ARG A 55 9.313 10.447 6.004 1.00 0.00 C ATOM 670 CG ARG A 55 8.614 11.793 6.138 1.00 0.00 C ATOM 671 CD ARG A 55 8.935 12.464 7.466 1.00 0.00 C ATOM 672 NE ARG A 55 9.476 13.814 7.289 1.00 0.00 N ATOM 673 CZ ARG A 55 9.505 14.741 8.250 1.00 0.00 C ATOM 674 NH1 ARG A 55 9.036 14.469 9.465 1.00 0.00 N ATOM 675 NH2 ARG A 55 10.012 15.943 7.998 1.00 0.00 N ATOM 0 H ARG A 55 8.206 7.860 6.298 1.00 0.00 H new ATOM 0 HA ARG A 55 8.007 10.054 4.334 1.00 0.00 H new ATOM 0 HB2 ARG A 55 9.372 9.979 6.987 1.00 0.00 H new ATOM 0 HB3 ARG A 55 10.337 10.611 5.668 1.00 0.00 H new ATOM 0 HG2 ARG A 55 8.918 12.444 5.318 1.00 0.00 H new ATOM 0 HG3 ARG A 55 7.536 11.654 6.052 1.00 0.00 H new ATOM 0 HD2 ARG A 55 8.031 12.514 8.074 1.00 0.00 H new ATOM 0 HD3 ARG A 55 9.654 11.855 8.014 1.00 0.00 H new ATOM 0 HE ARG A 55 9.854 14.061 6.375 1.00 0.00 H new ATOM 0 HH11 ARG A 55 8.651 13.547 9.668 1.00 0.00 H new ATOM 0 HH12 ARG A 55 9.062 15.183 10.193 1.00 0.00 H new ATOM 0 HH21 ARG A 55 10.379 16.158 7.071 1.00 0.00 H new ATOM 0 HH22 ARG A 55 10.034 16.651 8.732 1.00 0.00 H new ATOM 689 N GLN A 56 9.523 7.383 4.142 1.00 0.00 N ATOM 690 CA GLN A 56 10.446 6.554 3.379 1.00 0.00 C ATOM 691 C GLN A 56 9.799 5.209 3.057 1.00 0.00 C ATOM 692 O GLN A 56 10.090 4.192 3.689 1.00 0.00 O ATOM 693 CB GLN A 56 11.754 6.348 4.158 1.00 0.00 C ATOM 694 CG GLN A 56 12.985 6.249 3.269 1.00 0.00 C ATOM 695 CD GLN A 56 13.376 4.815 2.955 1.00 0.00 C ATOM 696 OE1 GLN A 56 13.202 4.345 1.831 1.00 0.00 O ATOM 697 NE2 GLN A 56 13.913 4.111 3.947 1.00 0.00 N ATOM 0 H GLN A 56 8.774 6.865 4.601 1.00 0.00 H new ATOM 0 HA GLN A 56 10.681 7.062 2.444 1.00 0.00 H new ATOM 0 HB2 GLN A 56 11.886 7.175 4.855 1.00 0.00 H new ATOM 0 HB3 GLN A 56 11.673 5.439 4.754 1.00 0.00 H new ATOM 0 HG2 GLN A 56 12.797 6.781 2.336 1.00 0.00 H new ATOM 0 HG3 GLN A 56 13.821 6.749 3.758 1.00 0.00 H new ATOM 0 HE21 GLN A 56 14.040 4.538 4.865 1.00 0.00 H new ATOM 0 HE22 GLN A 56 14.198 3.144 3.790 1.00 0.00 H new ATOM 706 N ILE A 57 8.918 5.227 2.059 1.00 0.00 N ATOM 707 CA ILE A 57 8.204 4.026 1.613 1.00 0.00 C ATOM 708 C ILE A 57 7.992 4.056 0.096 1.00 0.00 C ATOM 709 O ILE A 57 8.018 5.123 -0.521 1.00 0.00 O ATOM 710 CB ILE A 57 6.821 3.888 2.303 1.00 0.00 C ATOM 711 CG1 ILE A 57 6.932 4.102 3.817 1.00 0.00 C ATOM 712 CG2 ILE A 57 6.197 2.529 2.007 1.00 0.00 C ATOM 713 CD1 ILE A 57 7.602 2.960 4.556 1.00 0.00 C ATOM 0 H ILE A 57 8.678 6.069 1.537 1.00 0.00 H new ATOM 0 HA ILE A 57 8.823 3.172 1.888 1.00 0.00 H new ATOM 0 HB ILE A 57 6.173 4.663 1.895 1.00 0.00 H new ATOM 0 HG12 ILE A 57 7.491 5.019 4.004 1.00 0.00 H new ATOM 0 HG13 ILE A 57 5.933 4.249 4.227 1.00 0.00 H new ATOM 0 HG21 ILE A 57 5.229 2.458 2.502 1.00 0.00 H new ATOM 0 HG22 ILE A 57 6.064 2.416 0.931 1.00 0.00 H new ATOM 0 HG23 ILE A 57 6.852 1.740 2.376 1.00 0.00 H new ATOM 0 HD11 ILE A 57 7.641 3.189 5.621 1.00 0.00 H new ATOM 0 HD12 ILE A 57 7.032 2.043 4.403 1.00 0.00 H new ATOM 0 HD13 ILE A 57 8.615 2.825 4.176 1.00 0.00 H new ATOM 725 N ARG A 58 7.774 2.880 -0.495 1.00 0.00 N ATOM 726 CA ARG A 58 7.551 2.769 -1.937 1.00 0.00 C ATOM 727 C ARG A 58 6.634 1.586 -2.262 1.00 0.00 C ATOM 728 O ARG A 58 6.729 0.530 -1.637 1.00 0.00 O ATOM 729 CB ARG A 58 8.887 2.611 -2.670 1.00 0.00 C ATOM 730 CG ARG A 58 8.823 2.958 -4.150 1.00 0.00 C ATOM 731 CD ARG A 58 10.198 3.310 -4.702 1.00 0.00 C ATOM 732 NE ARG A 58 10.128 3.819 -6.073 1.00 0.00 N ATOM 733 CZ ARG A 58 9.755 5.063 -6.393 1.00 0.00 C ATOM 734 NH1 ARG A 58 9.420 5.934 -5.443 1.00 0.00 N ATOM 735 NH2 ARG A 58 9.720 5.437 -7.669 1.00 0.00 N ATOM 0 H ARG A 58 7.747 1.990 0.003 1.00 0.00 H new ATOM 0 HA ARG A 58 7.064 3.684 -2.274 1.00 0.00 H new ATOM 0 HB2 ARG A 58 9.631 3.246 -2.190 1.00 0.00 H new ATOM 0 HB3 ARG A 58 9.230 1.582 -2.563 1.00 0.00 H new ATOM 0 HG2 ARG A 58 8.412 2.114 -4.705 1.00 0.00 H new ATOM 0 HG3 ARG A 58 8.144 3.798 -4.299 1.00 0.00 H new ATOM 0 HD2 ARG A 58 10.664 4.058 -4.061 1.00 0.00 H new ATOM 0 HD3 ARG A 58 10.836 2.426 -4.676 1.00 0.00 H new ATOM 0 HE ARG A 58 10.379 3.185 -6.832 1.00 0.00 H new ATOM 0 HH11 ARG A 58 9.447 5.654 -4.462 1.00 0.00 H new ATOM 0 HH12 ARG A 58 9.137 6.881 -5.696 1.00 0.00 H new ATOM 0 HH21 ARG A 58 9.977 4.776 -8.402 1.00 0.00 H new ATOM 0 HH22 ARG A 58 9.436 6.385 -7.915 1.00 0.00 H new ATOM 749 N PHE A 59 5.750 1.773 -3.245 1.00 0.00 N ATOM 750 CA PHE A 59 4.815 0.724 -3.658 1.00 0.00 C ATOM 751 C PHE A 59 5.033 0.345 -5.125 1.00 0.00 C ATOM 752 O PHE A 59 5.632 1.108 -5.888 1.00 0.00 O ATOM 753 CB PHE A 59 3.368 1.189 -3.448 1.00 0.00 C ATOM 754 CG PHE A 59 2.730 0.656 -2.190 1.00 0.00 C ATOM 755 CD1 PHE A 59 3.411 0.685 -0.982 1.00 0.00 C ATOM 756 CD2 PHE A 59 1.446 0.128 -2.215 1.00 0.00 C ATOM 757 CE1 PHE A 59 2.828 0.198 0.173 1.00 0.00 C ATOM 758 CE2 PHE A 59 0.858 -0.360 -1.062 1.00 0.00 C ATOM 759 CZ PHE A 59 1.550 -0.325 0.133 1.00 0.00 C ATOM 0 H PHE A 59 5.662 2.643 -3.771 1.00 0.00 H new ATOM 0 HA PHE A 59 5.000 -0.156 -3.043 1.00 0.00 H new ATOM 0 HB2 PHE A 59 3.348 2.278 -3.420 1.00 0.00 H new ATOM 0 HB3 PHE A 59 2.770 0.881 -4.305 1.00 0.00 H new ATOM 0 HD1 PHE A 59 4.410 1.093 -0.943 1.00 0.00 H new ATOM 0 HD2 PHE A 59 0.900 0.098 -3.146 1.00 0.00 H new ATOM 0 HE1 PHE A 59 3.371 0.226 1.106 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -0.141 -0.768 -1.096 1.00 0.00 H new ATOM 0 HZ PHE A 59 1.093 -0.706 1.034 1.00 0.00 H new ATOM 769 N ARG A 60 4.545 -0.838 -5.512 1.00 0.00 N ATOM 770 CA ARG A 60 4.687 -1.316 -6.889 1.00 0.00 C ATOM 771 C ARG A 60 3.475 -2.145 -7.322 1.00 0.00 C ATOM 772 O ARG A 60 3.281 -3.268 -6.853 1.00 0.00 O ATOM 773 CB ARG A 60 5.962 -2.155 -7.039 1.00 0.00 C ATOM 774 CG ARG A 60 7.248 -1.374 -6.810 1.00 0.00 C ATOM 775 CD ARG A 60 8.409 -1.977 -7.585 1.00 0.00 C ATOM 776 NE ARG A 60 9.594 -1.119 -7.555 1.00 0.00 N ATOM 777 CZ ARG A 60 10.594 -1.191 -8.438 1.00 0.00 C ATOM 778 NH1 ARG A 60 10.573 -2.098 -9.412 1.00 0.00 N ATOM 779 NH2 ARG A 60 11.625 -0.359 -8.341 1.00 0.00 N ATOM 0 H ARG A 60 4.050 -1.480 -4.893 1.00 0.00 H new ATOM 0 HA ARG A 60 4.753 -0.439 -7.533 1.00 0.00 H new ATOM 0 HB2 ARG A 60 5.923 -2.985 -6.334 1.00 0.00 H new ATOM 0 HB3 ARG A 60 5.985 -2.587 -8.040 1.00 0.00 H new ATOM 0 HG2 ARG A 60 7.105 -0.337 -7.114 1.00 0.00 H new ATOM 0 HG3 ARG A 60 7.485 -1.364 -5.746 1.00 0.00 H new ATOM 0 HD2 ARG A 60 8.657 -2.952 -7.166 1.00 0.00 H new ATOM 0 HD3 ARG A 60 8.107 -2.142 -8.619 1.00 0.00 H new ATOM 0 HE ARG A 60 9.661 -0.422 -6.813 1.00 0.00 H new ATOM 0 HH11 ARG A 60 9.789 -2.746 -9.489 1.00 0.00 H new ATOM 0 HH12 ARG A 60 11.341 -2.145 -10.081 1.00 0.00 H new ATOM 0 HH21 ARG A 60 11.653 0.334 -7.593 1.00 0.00 H new ATOM 0 HH22 ARG A 60 12.389 -0.413 -9.015 1.00 0.00 H new ATOM 793 N PHE A 61 2.672 -1.590 -8.233 1.00 0.00 N ATOM 794 CA PHE A 61 1.491 -2.283 -8.747 1.00 0.00 C ATOM 795 C PHE A 61 1.863 -3.119 -9.968 1.00 0.00 C ATOM 796 O PHE A 61 2.032 -2.588 -11.068 1.00 0.00 O ATOM 797 CB PHE A 61 0.390 -1.278 -9.110 1.00 0.00 C ATOM 798 CG PHE A 61 -0.898 -1.921 -9.555 1.00 0.00 C ATOM 799 CD1 PHE A 61 -1.102 -2.250 -10.887 1.00 0.00 C ATOM 800 CD2 PHE A 61 -1.905 -2.193 -8.642 1.00 0.00 C ATOM 801 CE1 PHE A 61 -2.284 -2.837 -11.298 1.00 0.00 C ATOM 802 CE2 PHE A 61 -3.089 -2.780 -9.048 1.00 0.00 C ATOM 803 CZ PHE A 61 -3.279 -3.103 -10.377 1.00 0.00 C ATOM 0 H PHE A 61 2.819 -0.662 -8.629 1.00 0.00 H new ATOM 0 HA PHE A 61 1.112 -2.944 -7.968 1.00 0.00 H new ATOM 0 HB2 PHE A 61 0.189 -0.645 -8.246 1.00 0.00 H new ATOM 0 HB3 PHE A 61 0.753 -0.626 -9.905 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -0.328 -2.045 -11.612 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -1.763 -1.943 -7.601 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -2.430 -3.088 -12.338 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -3.865 -2.986 -8.326 1.00 0.00 H new ATOM 0 HZ PHE A 61 -4.203 -3.562 -10.696 1.00 0.00 H new ATOM 813 N ASP A 62 2.004 -4.429 -9.760 1.00 0.00 N ATOM 814 CA ASP A 62 2.373 -5.355 -10.832 1.00 0.00 C ATOM 815 C ASP A 62 3.647 -4.890 -11.544 1.00 0.00 C ATOM 816 O ASP A 62 3.751 -4.966 -12.771 1.00 0.00 O ATOM 817 CB ASP A 62 1.225 -5.509 -11.839 1.00 0.00 C ATOM 818 CG ASP A 62 1.058 -6.942 -12.315 1.00 0.00 C ATOM 819 OD1 ASP A 62 2.085 -7.619 -12.543 1.00 0.00 O ATOM 820 OD2 ASP A 62 -0.099 -7.389 -12.455 1.00 0.00 O ATOM 0 H ASP A 62 1.867 -4.875 -8.853 1.00 0.00 H new ATOM 0 HA ASP A 62 2.569 -6.327 -10.380 1.00 0.00 H new ATOM 0 HB2 ASP A 62 0.296 -5.171 -11.380 1.00 0.00 H new ATOM 0 HB3 ASP A 62 1.410 -4.863 -12.698 1.00 0.00 H new ATOM 825 N GLY A 63 4.613 -4.400 -10.764 1.00 0.00 N ATOM 826 CA GLY A 63 5.865 -3.925 -11.333 1.00 0.00 C ATOM 827 C GLY A 63 5.912 -2.412 -11.484 1.00 0.00 C ATOM 828 O GLY A 63 6.969 -1.803 -11.317 1.00 0.00 O ATOM 0 H GLY A 63 4.549 -4.324 -9.749 1.00 0.00 H new ATOM 0 HA2 GLY A 63 6.691 -4.247 -10.699 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.013 -4.387 -12.309 1.00 0.00 H new ATOM 832 N GLN A 64 4.766 -1.806 -11.801 1.00 0.00 N ATOM 833 CA GLN A 64 4.678 -0.358 -11.977 1.00 0.00 C ATOM 834 C GLN A 64 4.824 0.375 -10.638 1.00 0.00 C ATOM 835 O GLN A 64 3.958 0.269 -9.768 1.00 0.00 O ATOM 836 CB GLN A 64 3.343 0.003 -12.631 1.00 0.00 C ATOM 837 CG GLN A 64 3.207 1.476 -12.975 1.00 0.00 C ATOM 838 CD GLN A 64 1.759 1.902 -13.115 1.00 0.00 C ATOM 839 OE1 GLN A 64 1.113 2.273 -12.135 1.00 0.00 O ATOM 840 NE2 GLN A 64 1.239 1.846 -14.336 1.00 0.00 N ATOM 0 H GLN A 64 3.884 -2.299 -11.941 1.00 0.00 H new ATOM 0 HA GLN A 64 5.497 -0.042 -12.623 1.00 0.00 H new ATOM 0 HB2 GLN A 64 3.224 -0.585 -13.541 1.00 0.00 H new ATOM 0 HB3 GLN A 64 2.532 -0.280 -11.960 1.00 0.00 H new ATOM 0 HG2 GLN A 64 3.686 2.074 -12.200 1.00 0.00 H new ATOM 0 HG3 GLN A 64 3.735 1.680 -13.906 1.00 0.00 H new ATOM 0 HE21 GLN A 64 1.811 1.532 -15.120 1.00 0.00 H new ATOM 0 HE22 GLN A 64 0.268 2.117 -14.490 1.00 0.00 H new ATOM 849 N PRO A 65 5.930 1.130 -10.454 1.00 0.00 N ATOM 850 CA PRO A 65 6.185 1.878 -9.214 1.00 0.00 C ATOM 851 C PRO A 65 5.293 3.112 -9.070 1.00 0.00 C ATOM 852 O PRO A 65 4.981 3.783 -10.057 1.00 0.00 O ATOM 853 CB PRO A 65 7.651 2.296 -9.352 1.00 0.00 C ATOM 854 CG PRO A 65 7.884 2.377 -10.821 1.00 0.00 C ATOM 855 CD PRO A 65 7.022 1.308 -11.437 1.00 0.00 C ATOM 0 HA PRO A 65 5.973 1.276 -8.330 1.00 0.00 H new ATOM 0 HB2 PRO A 65 7.837 3.255 -8.868 1.00 0.00 H new ATOM 0 HB3 PRO A 65 8.316 1.569 -8.885 1.00 0.00 H new ATOM 0 HG2 PRO A 65 7.618 3.362 -11.205 1.00 0.00 H new ATOM 0 HG3 PRO A 65 8.935 2.216 -11.059 1.00 0.00 H new ATOM 0 HD2 PRO A 65 6.639 1.614 -12.411 1.00 0.00 H new ATOM 0 HD3 PRO A 65 7.578 0.383 -11.590 1.00 0.00 H new ATOM 863 N ILE A 66 4.895 3.409 -7.831 1.00 0.00 N ATOM 864 CA ILE A 66 4.046 4.567 -7.546 1.00 0.00 C ATOM 865 C ILE A 66 4.402 5.201 -6.200 1.00 0.00 C ATOM 866 O ILE A 66 5.224 4.670 -5.449 1.00 0.00 O ATOM 867 CB ILE A 66 2.538 4.203 -7.547 1.00 0.00 C ATOM 868 CG1 ILE A 66 2.236 3.067 -6.555 1.00 0.00 C ATOM 869 CG2 ILE A 66 2.078 3.832 -8.951 1.00 0.00 C ATOM 870 CD1 ILE A 66 2.672 1.695 -7.028 1.00 0.00 C ATOM 0 H ILE A 66 5.148 2.862 -7.008 1.00 0.00 H new ATOM 0 HA ILE A 66 4.233 5.282 -8.347 1.00 0.00 H new ATOM 0 HB ILE A 66 1.981 5.082 -7.222 1.00 0.00 H new ATOM 0 HG12 ILE A 66 2.730 3.286 -5.608 1.00 0.00 H new ATOM 0 HG13 ILE A 66 1.164 3.047 -6.358 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.018 3.580 -8.932 1.00 0.00 H new ATOM 0 HG22 ILE A 66 2.238 4.676 -9.621 1.00 0.00 H new ATOM 0 HG23 ILE A 66 2.649 2.974 -9.306 1.00 0.00 H new ATOM 0 HD11 ILE A 66 2.422 0.952 -6.270 1.00 0.00 H new ATOM 0 HD12 ILE A 66 2.159 1.451 -7.958 1.00 0.00 H new ATOM 0 HD13 ILE A 66 3.749 1.693 -7.196 1.00 0.00 H new ATOM 882 N ASN A 67 3.772 6.337 -5.907 1.00 0.00 N ATOM 883 CA ASN A 67 4.005 7.052 -4.655 1.00 0.00 C ATOM 884 C ASN A 67 2.785 6.939 -3.740 1.00 0.00 C ATOM 885 O ASN A 67 1.773 6.340 -4.111 1.00 0.00 O ATOM 886 CB ASN A 67 4.313 8.530 -4.935 1.00 0.00 C ATOM 887 CG ASN A 67 5.672 8.736 -5.586 1.00 0.00 C ATOM 888 OD1 ASN A 67 6.130 7.908 -6.374 1.00 0.00 O ATOM 889 ND2 ASN A 67 6.323 9.849 -5.263 1.00 0.00 N ATOM 0 H ASN A 67 3.093 6.783 -6.524 1.00 0.00 H new ATOM 0 HA ASN A 67 4.862 6.600 -4.155 1.00 0.00 H new ATOM 0 HB2 ASN A 67 3.539 8.941 -5.583 1.00 0.00 H new ATOM 0 HB3 ASN A 67 4.275 9.088 -3.999 1.00 0.00 H new ATOM 0 HD21 ASN A 67 7.237 10.042 -5.672 1.00 0.00 H new ATOM 0 HD22 ASN A 67 5.909 10.510 -4.606 1.00 0.00 H new ATOM 896 N GLU A 68 2.882 7.526 -2.547 1.00 0.00 N ATOM 897 CA GLU A 68 1.780 7.497 -1.584 1.00 0.00 C ATOM 898 C GLU A 68 0.590 8.344 -2.066 1.00 0.00 C ATOM 899 O GLU A 68 -0.503 8.256 -1.507 1.00 0.00 O ATOM 900 CB GLU A 68 2.248 8.000 -0.213 1.00 0.00 C ATOM 901 CG GLU A 68 3.436 7.241 0.362 1.00 0.00 C ATOM 902 CD GLU A 68 4.364 8.136 1.161 1.00 0.00 C ATOM 903 OE1 GLU A 68 4.064 8.395 2.346 1.00 0.00 O ATOM 904 OE2 GLU A 68 5.387 8.582 0.600 1.00 0.00 O ATOM 0 H GLU A 68 3.710 8.026 -2.224 1.00 0.00 H new ATOM 0 HA GLU A 68 1.452 6.461 -1.495 1.00 0.00 H new ATOM 0 HB2 GLU A 68 2.512 9.054 -0.297 1.00 0.00 H new ATOM 0 HB3 GLU A 68 1.416 7.934 0.488 1.00 0.00 H new ATOM 0 HG2 GLU A 68 3.074 6.435 1.001 1.00 0.00 H new ATOM 0 HG3 GLU A 68 3.995 6.777 -0.451 1.00 0.00 H new ATOM 911 N THR A 69 0.803 9.168 -3.100 1.00 0.00 N ATOM 912 CA THR A 69 -0.262 10.023 -3.638 1.00 0.00 C ATOM 913 C THR A 69 -1.054 9.317 -4.746 1.00 0.00 C ATOM 914 O THR A 69 -1.597 9.972 -5.641 1.00 0.00 O ATOM 915 CB THR A 69 0.329 11.335 -4.175 1.00 0.00 C ATOM 916 OG1 THR A 69 1.046 11.120 -5.383 1.00 0.00 O ATOM 917 CG2 THR A 69 1.265 12.015 -3.199 1.00 0.00 C ATOM 0 H THR A 69 1.699 9.260 -3.579 1.00 0.00 H new ATOM 0 HA THR A 69 -0.950 10.241 -2.821 1.00 0.00 H new ATOM 0 HB THR A 69 -0.531 11.983 -4.343 1.00 0.00 H new ATOM 0 HG1 THR A 69 1.410 11.972 -5.703 1.00 0.00 H new ATOM 0 HG21 THR A 69 1.646 12.935 -3.642 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.726 12.250 -2.281 1.00 0.00 H new ATOM 0 HG23 THR A 69 2.098 11.350 -2.970 1.00 0.00 H new ATOM 925 N ASP A 70 -1.123 7.983 -4.687 1.00 0.00 N ATOM 926 CA ASP A 70 -1.852 7.213 -5.691 1.00 0.00 C ATOM 927 C ASP A 70 -3.362 7.304 -5.468 1.00 0.00 C ATOM 928 O ASP A 70 -3.815 7.792 -4.433 1.00 0.00 O ATOM 929 CB ASP A 70 -1.399 5.748 -5.675 1.00 0.00 C ATOM 930 CG ASP A 70 -1.531 5.070 -7.030 1.00 0.00 C ATOM 931 OD1 ASP A 70 -1.451 5.769 -8.063 1.00 0.00 O ATOM 932 OD2 ASP A 70 -1.716 3.836 -7.057 1.00 0.00 O ATOM 0 H ASP A 70 -0.685 7.420 -3.958 1.00 0.00 H new ATOM 0 HA ASP A 70 -1.629 7.640 -6.669 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -0.360 5.698 -5.350 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -1.989 5.199 -4.941 1.00 0.00 H new ATOM 937 N THR A 71 -4.133 6.830 -6.451 1.00 0.00 N ATOM 938 CA THR A 71 -5.596 6.856 -6.377 1.00 0.00 C ATOM 939 C THR A 71 -6.229 6.062 -7.530 1.00 0.00 C ATOM 940 O THR A 71 -7.030 5.163 -7.286 1.00 0.00 O ATOM 941 CB THR A 71 -6.135 8.298 -6.374 1.00 0.00 C ATOM 942 OG1 THR A 71 -5.086 9.259 -6.388 1.00 0.00 O ATOM 943 CG2 THR A 71 -7.012 8.592 -5.171 1.00 0.00 C ATOM 0 H THR A 71 -3.766 6.422 -7.311 1.00 0.00 H new ATOM 0 HA THR A 71 -5.875 6.382 -5.436 1.00 0.00 H new ATOM 0 HB THR A 71 -6.729 8.377 -7.285 1.00 0.00 H new ATOM 0 HG1 THR A 71 -5.469 10.161 -6.387 1.00 0.00 H new ATOM 0 HG21 THR A 71 -7.364 9.622 -5.221 1.00 0.00 H new ATOM 0 HG22 THR A 71 -7.867 7.916 -5.170 1.00 0.00 H new ATOM 0 HG23 THR A 71 -6.436 8.449 -4.257 1.00 0.00 H new ATOM 951 N PRO A 72 -5.886 6.378 -8.805 1.00 0.00 N ATOM 952 CA PRO A 72 -6.439 5.674 -9.975 1.00 0.00 C ATOM 953 C PRO A 72 -6.435 4.150 -9.821 1.00 0.00 C ATOM 954 O PRO A 72 -7.474 3.508 -9.977 1.00 0.00 O ATOM 955 CB PRO A 72 -5.508 6.099 -11.108 1.00 0.00 C ATOM 956 CG PRO A 72 -5.042 7.455 -10.716 1.00 0.00 C ATOM 957 CD PRO A 72 -4.946 7.446 -9.212 1.00 0.00 C ATOM 0 HA PRO A 72 -7.487 5.927 -10.137 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -4.672 5.408 -11.216 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -6.030 6.120 -12.065 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -4.075 7.680 -11.167 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -5.739 8.220 -11.057 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -3.931 7.234 -8.877 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -5.227 8.410 -8.787 1.00 0.00 H new ATOM 965 N ALA A 73 -5.271 3.577 -9.504 1.00 0.00 N ATOM 966 CA ALA A 73 -5.154 2.128 -9.316 1.00 0.00 C ATOM 967 C ALA A 73 -6.045 1.660 -8.165 1.00 0.00 C ATOM 968 O ALA A 73 -6.621 0.569 -8.207 1.00 0.00 O ATOM 969 CB ALA A 73 -3.706 1.749 -9.049 1.00 0.00 C ATOM 0 H ALA A 73 -4.400 4.091 -9.373 1.00 0.00 H new ATOM 0 HA ALA A 73 -5.485 1.634 -10.229 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -3.632 0.670 -8.911 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -3.089 2.050 -9.896 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -3.358 2.255 -8.148 1.00 0.00 H new ATOM 975 N GLN A 74 -6.153 2.505 -7.143 1.00 0.00 N ATOM 976 CA GLN A 74 -6.972 2.210 -5.974 1.00 0.00 C ATOM 977 C GLN A 74 -8.469 2.333 -6.291 1.00 0.00 C ATOM 978 O GLN A 74 -9.300 1.695 -5.642 1.00 0.00 O ATOM 979 CB GLN A 74 -6.599 3.152 -4.829 1.00 0.00 C ATOM 980 CG GLN A 74 -7.207 2.753 -3.495 1.00 0.00 C ATOM 981 CD GLN A 74 -6.161 2.383 -2.462 1.00 0.00 C ATOM 982 OE1 GLN A 74 -6.210 1.304 -1.872 1.00 0.00 O ATOM 983 NE2 GLN A 74 -5.207 3.277 -2.238 1.00 0.00 N ATOM 0 H GLN A 74 -5.678 3.407 -7.103 1.00 0.00 H new ATOM 0 HA GLN A 74 -6.778 1.180 -5.676 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -5.514 3.180 -4.731 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -6.923 4.162 -5.080 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -7.811 3.577 -3.115 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -7.879 1.908 -3.645 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -5.205 4.159 -2.750 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -4.476 3.082 -1.554 1.00 0.00 H new ATOM 992 N LEU A 75 -8.806 3.156 -7.287 1.00 0.00 N ATOM 993 CA LEU A 75 -10.196 3.362 -7.689 1.00 0.00 C ATOM 994 C LEU A 75 -10.639 2.297 -8.695 1.00 0.00 C ATOM 995 O LEU A 75 -11.785 1.844 -8.666 1.00 0.00 O ATOM 996 CB LEU A 75 -10.363 4.759 -8.301 1.00 0.00 C ATOM 997 CG LEU A 75 -11.710 5.445 -8.042 1.00 0.00 C ATOM 998 CD1 LEU A 75 -12.839 4.706 -8.748 1.00 0.00 C ATOM 999 CD2 LEU A 75 -11.986 5.547 -6.548 1.00 0.00 C ATOM 0 H LEU A 75 -8.130 3.692 -7.831 1.00 0.00 H new ATOM 0 HA LEU A 75 -10.824 3.278 -6.802 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -9.570 5.401 -7.916 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -10.217 4.683 -9.378 1.00 0.00 H new ATOM 0 HG LEU A 75 -11.658 6.455 -8.449 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -13.784 5.211 -8.550 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -12.651 4.695 -9.822 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -12.890 3.682 -8.379 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -12.946 6.037 -6.388 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -12.012 4.548 -6.114 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -11.198 6.130 -6.071 1.00 0.00 H new ATOM 1011 N GLU A 76 -9.722 1.898 -9.583 1.00 0.00 N ATOM 1012 CA GLU A 76 -10.023 0.884 -10.598 1.00 0.00 C ATOM 1013 C GLU A 76 -10.284 -0.477 -9.952 1.00 0.00 C ATOM 1014 O GLU A 76 -11.116 -1.250 -10.431 1.00 0.00 O ATOM 1015 CB GLU A 76 -8.884 0.775 -11.623 1.00 0.00 C ATOM 1016 CG GLU A 76 -7.565 0.289 -11.037 1.00 0.00 C ATOM 1017 CD GLU A 76 -6.491 0.078 -12.088 1.00 0.00 C ATOM 1018 OE1 GLU A 76 -6.166 1.046 -12.810 1.00 0.00 O ATOM 1019 OE2 GLU A 76 -5.968 -1.053 -12.185 1.00 0.00 O ATOM 0 H GLU A 76 -8.769 2.260 -9.619 1.00 0.00 H new ATOM 0 HA GLU A 76 -10.927 1.198 -11.120 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -9.189 0.094 -12.418 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -8.728 1.751 -12.082 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -7.211 1.014 -10.304 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -7.733 -0.647 -10.505 1.00 0.00 H new ATOM 1026 N MET A 77 -9.573 -0.761 -8.857 1.00 0.00 N ATOM 1027 CA MET A 77 -9.735 -2.024 -8.144 1.00 0.00 C ATOM 1028 C MET A 77 -11.100 -2.087 -7.451 1.00 0.00 C ATOM 1029 O MET A 77 -11.884 -1.136 -7.512 1.00 0.00 O ATOM 1030 CB MET A 77 -8.604 -2.213 -7.124 1.00 0.00 C ATOM 1031 CG MET A 77 -8.573 -1.158 -6.027 1.00 0.00 C ATOM 1032 SD MET A 77 -8.362 -1.866 -4.382 1.00 0.00 S ATOM 1033 CE MET A 77 -6.848 -1.063 -3.862 1.00 0.00 C ATOM 0 H MET A 77 -8.882 -0.132 -8.448 1.00 0.00 H new ATOM 0 HA MET A 77 -9.685 -2.835 -8.871 1.00 0.00 H new ATOM 0 HB2 MET A 77 -8.704 -3.196 -6.665 1.00 0.00 H new ATOM 0 HB3 MET A 77 -7.649 -2.203 -7.650 1.00 0.00 H new ATOM 0 HG2 MET A 77 -7.760 -0.460 -6.224 1.00 0.00 H new ATOM 0 HG3 MET A 77 -9.499 -0.584 -6.055 1.00 0.00 H new ATOM 0 HE1 MET A 77 -6.546 -1.451 -2.889 1.00 0.00 H new ATOM 0 HE2 MET A 77 -6.062 -1.260 -4.592 1.00 0.00 H new ATOM 0 HE3 MET A 77 -7.013 0.012 -3.788 1.00 0.00 H new ATOM 1043 N GLU A 78 -11.379 -3.214 -6.796 1.00 0.00 N ATOM 1044 CA GLU A 78 -12.650 -3.402 -6.099 1.00 0.00 C ATOM 1045 C GLU A 78 -12.435 -4.040 -4.727 1.00 0.00 C ATOM 1046 O GLU A 78 -12.713 -3.422 -3.699 1.00 0.00 O ATOM 1047 CB GLU A 78 -13.597 -4.264 -6.945 1.00 0.00 C ATOM 1048 CG GLU A 78 -15.072 -4.023 -6.657 1.00 0.00 C ATOM 1049 CD GLU A 78 -15.979 -5.007 -7.375 1.00 0.00 C ATOM 1050 OE1 GLU A 78 -15.874 -5.116 -8.615 1.00 0.00 O ATOM 1051 OE2 GLU A 78 -16.797 -5.665 -6.698 1.00 0.00 O ATOM 0 H GLU A 78 -10.743 -4.009 -6.734 1.00 0.00 H new ATOM 0 HA GLU A 78 -13.103 -2.422 -5.949 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -13.406 -4.068 -8.000 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -13.370 -5.316 -6.770 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -15.244 -4.094 -5.583 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -15.335 -3.008 -6.956 1.00 0.00 H new ATOM 1058 N ASP A 79 -11.942 -5.279 -4.720 1.00 0.00 N ATOM 1059 CA ASP A 79 -11.694 -6.001 -3.473 1.00 0.00 C ATOM 1060 C ASP A 79 -10.325 -6.680 -3.487 1.00 0.00 C ATOM 1061 O ASP A 79 -9.565 -6.567 -2.528 1.00 0.00 O ATOM 1062 CB ASP A 79 -12.790 -7.041 -3.235 1.00 0.00 C ATOM 1063 CG ASP A 79 -14.174 -6.422 -3.190 1.00 0.00 C ATOM 1064 OD1 ASP A 79 -14.554 -5.895 -2.122 1.00 0.00 O ATOM 1065 OD2 ASP A 79 -14.874 -6.459 -4.222 1.00 0.00 O ATOM 0 H ASP A 79 -11.707 -5.803 -5.563 1.00 0.00 H new ATOM 0 HA ASP A 79 -11.705 -5.275 -2.660 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -12.755 -7.789 -4.027 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -12.597 -7.561 -2.297 1.00 0.00 H new ATOM 1070 N GLU A 80 -10.021 -7.392 -4.572 1.00 0.00 N ATOM 1071 CA GLU A 80 -8.745 -8.093 -4.695 1.00 0.00 C ATOM 1072 C GLU A 80 -7.699 -7.229 -5.400 1.00 0.00 C ATOM 1073 O GLU A 80 -7.838 -6.913 -6.582 1.00 0.00 O ATOM 1074 CB GLU A 80 -8.936 -9.406 -5.458 1.00 0.00 C ATOM 1075 CG GLU A 80 -9.167 -10.612 -4.561 1.00 0.00 C ATOM 1076 CD GLU A 80 -9.605 -11.836 -5.342 1.00 0.00 C ATOM 1077 OE1 GLU A 80 -8.788 -12.364 -6.126 1.00 0.00 O ATOM 1078 OE2 GLU A 80 -10.765 -12.262 -5.172 1.00 0.00 O ATOM 0 H GLU A 80 -10.640 -7.498 -5.376 1.00 0.00 H new ATOM 0 HA GLU A 80 -8.384 -8.308 -3.689 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -9.784 -9.301 -6.135 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -8.056 -9.588 -6.075 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -8.249 -10.839 -4.019 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -9.925 -10.368 -3.817 1.00 0.00 H new ATOM 1085 N ASP A 81 -6.650 -6.856 -4.664 1.00 0.00 N ATOM 1086 CA ASP A 81 -5.573 -6.036 -5.214 1.00 0.00 C ATOM 1087 C ASP A 81 -4.211 -6.535 -4.726 1.00 0.00 C ATOM 1088 O ASP A 81 -4.051 -6.887 -3.554 1.00 0.00 O ATOM 1089 CB ASP A 81 -5.776 -4.565 -4.832 1.00 0.00 C ATOM 1090 CG ASP A 81 -4.938 -3.622 -5.677 1.00 0.00 C ATOM 1091 OD1 ASP A 81 -3.702 -3.589 -5.489 1.00 0.00 O ATOM 1092 OD2 ASP A 81 -5.518 -2.913 -6.525 1.00 0.00 O ATOM 0 H ASP A 81 -6.525 -7.110 -3.684 1.00 0.00 H new ATOM 0 HA ASP A 81 -5.597 -6.119 -6.301 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -6.829 -4.307 -4.942 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -5.522 -4.428 -3.781 1.00 0.00 H new ATOM 1097 N THR A 82 -3.237 -6.575 -5.639 1.00 0.00 N ATOM 1098 CA THR A 82 -1.890 -7.043 -5.313 1.00 0.00 C ATOM 1099 C THR A 82 -0.836 -5.985 -5.638 1.00 0.00 C ATOM 1100 O THR A 82 -0.811 -5.439 -6.744 1.00 0.00 O ATOM 1101 CB THR A 82 -1.573 -8.335 -6.076 1.00 0.00 C ATOM 1102 OG1 THR A 82 -2.254 -8.373 -7.319 1.00 0.00 O ATOM 1103 CG2 THR A 82 -1.945 -9.588 -5.315 1.00 0.00 C ATOM 0 H THR A 82 -3.358 -6.288 -6.610 1.00 0.00 H new ATOM 0 HA THR A 82 -1.862 -7.238 -4.241 1.00 0.00 H new ATOM 0 HB THR A 82 -0.493 -8.320 -6.220 1.00 0.00 H new ATOM 0 HG1 THR A 82 -2.034 -9.205 -7.787 1.00 0.00 H new ATOM 0 HG21 THR A 82 -1.694 -10.465 -5.912 1.00 0.00 H new ATOM 0 HG22 THR A 82 -1.394 -9.620 -4.375 1.00 0.00 H new ATOM 0 HG23 THR A 82 -3.015 -9.584 -5.109 1.00 0.00 H new ATOM 1111 N ILE A 83 0.037 -5.709 -4.667 1.00 0.00 N ATOM 1112 CA ILE A 83 1.107 -4.724 -4.842 1.00 0.00 C ATOM 1113 C ILE A 83 2.351 -5.112 -4.040 1.00 0.00 C ATOM 1114 O ILE A 83 2.253 -5.789 -3.014 1.00 0.00 O ATOM 1115 CB ILE A 83 0.662 -3.300 -4.423 1.00 0.00 C ATOM 1116 CG1 ILE A 83 -0.440 -3.355 -3.358 1.00 0.00 C ATOM 1117 CG2 ILE A 83 0.189 -2.511 -5.635 1.00 0.00 C ATOM 1118 CD1 ILE A 83 0.060 -3.757 -1.988 1.00 0.00 C ATOM 0 H ILE A 83 0.024 -6.155 -3.750 1.00 0.00 H new ATOM 0 HA ILE A 83 1.345 -4.716 -5.906 1.00 0.00 H new ATOM 0 HB ILE A 83 1.524 -2.793 -3.990 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -0.916 -2.377 -3.289 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -1.207 -4.061 -3.677 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -0.120 -1.514 -5.322 1.00 0.00 H new ATOM 0 HG22 ILE A 83 1.002 -2.430 -6.356 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -0.655 -3.024 -6.096 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -0.774 -3.774 -1.287 1.00 0.00 H new ATOM 0 HD12 ILE A 83 0.510 -4.748 -2.041 1.00 0.00 H new ATOM 0 HD13 ILE A 83 0.805 -3.038 -1.647 1.00 0.00 H new ATOM 1130 N ASP A 84 3.520 -4.678 -4.516 1.00 0.00 N ATOM 1131 CA ASP A 84 4.786 -4.980 -3.849 1.00 0.00 C ATOM 1132 C ASP A 84 5.400 -3.722 -3.238 1.00 0.00 C ATOM 1133 O ASP A 84 5.839 -2.823 -3.959 1.00 0.00 O ATOM 1134 CB ASP A 84 5.769 -5.611 -4.838 1.00 0.00 C ATOM 1135 CG ASP A 84 6.208 -6.999 -4.412 1.00 0.00 C ATOM 1136 OD1 ASP A 84 5.364 -7.920 -4.427 1.00 0.00 O ATOM 1137 OD2 ASP A 84 7.396 -7.165 -4.064 1.00 0.00 O ATOM 0 H ASP A 84 3.615 -4.116 -5.362 1.00 0.00 H new ATOM 0 HA ASP A 84 4.582 -5.687 -3.045 1.00 0.00 H new ATOM 0 HB2 ASP A 84 5.304 -5.666 -5.822 1.00 0.00 H new ATOM 0 HB3 ASP A 84 6.645 -4.970 -4.934 1.00 0.00 H new ATOM 1142 N VAL A 85 5.431 -3.665 -1.907 1.00 0.00 N ATOM 1143 CA VAL A 85 5.994 -2.514 -1.206 1.00 0.00 C ATOM 1144 C VAL A 85 7.519 -2.615 -1.102 1.00 0.00 C ATOM 1145 O VAL A 85 8.057 -3.477 -0.403 1.00 0.00 O ATOM 1146 CB VAL A 85 5.373 -2.336 0.201 1.00 0.00 C ATOM 1147 CG1 VAL A 85 5.654 -3.541 1.090 1.00 0.00 C ATOM 1148 CG2 VAL A 85 5.878 -1.056 0.852 1.00 0.00 C ATOM 0 H VAL A 85 5.074 -4.399 -1.296 1.00 0.00 H new ATOM 0 HA VAL A 85 5.745 -1.633 -1.798 1.00 0.00 H new ATOM 0 HB VAL A 85 4.292 -2.259 0.080 1.00 0.00 H new ATOM 0 HG11 VAL A 85 5.204 -3.383 2.070 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.229 -4.436 0.635 1.00 0.00 H new ATOM 0 HG13 VAL A 85 6.731 -3.668 1.201 1.00 0.00 H new ATOM 0 HG21 VAL A 85 5.430 -0.949 1.840 1.00 0.00 H new ATOM 0 HG22 VAL A 85 6.963 -1.100 0.948 1.00 0.00 H new ATOM 0 HG23 VAL A 85 5.603 -0.201 0.235 1.00 0.00 H new ATOM 1158 N PHE A 86 8.205 -1.724 -1.814 1.00 0.00 N ATOM 1159 CA PHE A 86 9.665 -1.693 -1.825 1.00 0.00 C ATOM 1160 C PHE A 86 10.199 -0.639 -0.852 1.00 0.00 C ATOM 1161 O PHE A 86 9.529 0.359 -0.578 1.00 0.00 O ATOM 1162 CB PHE A 86 10.169 -1.390 -3.240 1.00 0.00 C ATOM 1163 CG PHE A 86 10.309 -2.604 -4.121 1.00 0.00 C ATOM 1164 CD1 PHE A 86 9.284 -3.535 -4.227 1.00 0.00 C ATOM 1165 CD2 PHE A 86 11.469 -2.809 -4.848 1.00 0.00 C ATOM 1166 CE1 PHE A 86 9.419 -4.643 -5.042 1.00 0.00 C ATOM 1167 CE2 PHE A 86 11.610 -3.915 -5.663 1.00 0.00 C ATOM 1168 CZ PHE A 86 10.583 -4.833 -5.761 1.00 0.00 C ATOM 0 H PHE A 86 7.768 -1.008 -2.395 1.00 0.00 H new ATOM 0 HA PHE A 86 10.029 -2.671 -1.508 1.00 0.00 H new ATOM 0 HB2 PHE A 86 9.483 -0.688 -3.715 1.00 0.00 H new ATOM 0 HB3 PHE A 86 11.136 -0.893 -3.170 1.00 0.00 H new ATOM 0 HD1 PHE A 86 8.372 -3.392 -3.667 1.00 0.00 H new ATOM 0 HD2 PHE A 86 12.275 -2.094 -4.777 1.00 0.00 H new ATOM 0 HE1 PHE A 86 8.615 -5.360 -5.117 1.00 0.00 H new ATOM 0 HE2 PHE A 86 12.522 -4.062 -6.223 1.00 0.00 H new ATOM 0 HZ PHE A 86 10.690 -5.698 -6.399 1.00 0.00 H new ATOM 1178 N GLN A 87 11.408 -0.866 -0.336 1.00 0.00 N ATOM 1179 CA GLN A 87 12.033 0.065 0.605 1.00 0.00 C ATOM 1180 C GLN A 87 13.452 0.431 0.157 1.00 0.00 C ATOM 1181 O GLN A 87 14.304 -0.444 -0.012 1.00 0.00 O ATOM 1182 CB GLN A 87 12.058 -0.546 2.010 1.00 0.00 C ATOM 1183 CG GLN A 87 10.694 -0.557 2.690 1.00 0.00 C ATOM 1184 CD GLN A 87 10.474 -1.785 3.556 1.00 0.00 C ATOM 1185 OE1 GLN A 87 9.598 -2.604 3.277 1.00 0.00 O ATOM 1186 NE2 GLN A 87 11.265 -1.918 4.616 1.00 0.00 N ATOM 0 H GLN A 87 11.974 -1.686 -0.554 1.00 0.00 H new ATOM 0 HA GLN A 87 11.441 0.980 0.626 1.00 0.00 H new ATOM 0 HB2 GLN A 87 12.433 -1.568 1.947 1.00 0.00 H new ATOM 0 HB3 GLN A 87 12.760 0.013 2.629 1.00 0.00 H new ATOM 0 HG2 GLN A 87 10.593 0.337 3.305 1.00 0.00 H new ATOM 0 HG3 GLN A 87 9.914 -0.511 1.930 1.00 0.00 H new ATOM 0 HE21 GLN A 87 11.979 -1.216 4.811 1.00 0.00 H new ATOM 0 HE22 GLN A 87 11.158 -2.722 5.234 1.00 0.00 H new ATOM 1195 N GLN A 88 13.692 1.731 -0.040 1.00 0.00 N ATOM 1196 CA GLN A 88 15.003 2.221 -0.478 1.00 0.00 C ATOM 1197 C GLN A 88 16.062 2.045 0.611 1.00 0.00 C ATOM 1198 O GLN A 88 15.738 1.956 1.799 1.00 0.00 O ATOM 1199 CB GLN A 88 14.920 3.700 -0.882 1.00 0.00 C ATOM 1200 CG GLN A 88 13.843 3.999 -1.914 1.00 0.00 C ATOM 1201 CD GLN A 88 12.624 4.673 -1.310 1.00 0.00 C ATOM 1202 OE1 GLN A 88 11.707 4.005 -0.831 1.00 0.00 O ATOM 1203 NE2 GLN A 88 12.606 6.003 -1.330 1.00 0.00 N ATOM 0 H GLN A 88 12.995 2.463 0.097 1.00 0.00 H new ATOM 0 HA GLN A 88 15.298 1.627 -1.343 1.00 0.00 H new ATOM 0 HB2 GLN A 88 14.732 4.300 0.009 1.00 0.00 H new ATOM 0 HB3 GLN A 88 15.886 4.013 -1.279 1.00 0.00 H new ATOM 0 HG2 GLN A 88 14.259 4.639 -2.692 1.00 0.00 H new ATOM 0 HG3 GLN A 88 13.538 3.070 -2.395 1.00 0.00 H new ATOM 0 HE21 GLN A 88 13.387 6.518 -1.737 1.00 0.00 H new ATOM 0 HE22 GLN A 88 11.811 6.508 -0.938 1.00 0.00 H new ATOM 1212 N GLN A 89 17.330 1.998 0.195 1.00 0.00 N ATOM 1213 CA GLN A 89 18.445 1.834 1.125 1.00 0.00 C ATOM 1214 C GLN A 89 19.319 3.093 1.180 1.00 0.00 C ATOM 1215 O GLN A 89 19.068 4.068 0.466 1.00 0.00 O ATOM 1216 CB GLN A 89 19.291 0.621 0.722 1.00 0.00 C ATOM 1217 CG GLN A 89 19.497 -0.381 1.849 1.00 0.00 C ATOM 1218 CD GLN A 89 18.326 -1.334 2.006 1.00 0.00 C ATOM 1219 OE1 GLN A 89 17.290 -0.975 2.564 1.00 0.00 O ATOM 1220 NE2 GLN A 89 18.485 -2.560 1.515 1.00 0.00 N ATOM 0 H GLN A 89 17.608 2.072 -0.783 1.00 0.00 H new ATOM 0 HA GLN A 89 18.032 1.671 2.120 1.00 0.00 H new ATOM 0 HB2 GLN A 89 18.812 0.117 -0.117 1.00 0.00 H new ATOM 0 HB3 GLN A 89 20.264 0.967 0.373 1.00 0.00 H new ATOM 0 HG2 GLN A 89 20.404 -0.955 1.659 1.00 0.00 H new ATOM 0 HG3 GLN A 89 19.651 0.157 2.785 1.00 0.00 H new ATOM 0 HE21 GLN A 89 19.361 -2.817 1.059 1.00 0.00 H new ATOM 0 HE22 GLN A 89 17.731 -3.243 1.594 1.00 0.00 H new ATOM 1229 N THR A 90 20.342 3.054 2.041 1.00 0.00 N ATOM 1230 CA THR A 90 21.278 4.171 2.227 1.00 0.00 C ATOM 1231 C THR A 90 20.647 5.301 3.048 1.00 0.00 C ATOM 1232 O THR A 90 21.098 5.589 4.158 1.00 0.00 O ATOM 1233 CB THR A 90 21.782 4.711 0.881 1.00 0.00 C ATOM 1234 OG1 THR A 90 22.237 3.657 0.050 1.00 0.00 O ATOM 1235 CG2 THR A 90 22.918 5.703 1.024 1.00 0.00 C ATOM 0 H THR A 90 20.545 2.246 2.630 1.00 0.00 H new ATOM 0 HA THR A 90 22.132 3.781 2.781 1.00 0.00 H new ATOM 0 HB THR A 90 20.926 5.219 0.437 1.00 0.00 H new ATOM 0 HG1 THR A 90 22.552 4.025 -0.802 1.00 0.00 H new ATOM 0 HG21 THR A 90 23.228 6.046 0.037 1.00 0.00 H new ATOM 0 HG22 THR A 90 22.585 6.555 1.616 1.00 0.00 H new ATOM 0 HG23 THR A 90 23.760 5.222 1.522 1.00 0.00 H new ATOM 1243 N GLY A 91 19.605 5.934 2.502 1.00 0.00 N ATOM 1244 CA GLY A 91 18.938 7.017 3.206 1.00 0.00 C ATOM 1245 C GLY A 91 19.407 8.389 2.754 1.00 0.00 C ATOM 1246 O GLY A 91 20.530 8.799 3.058 1.00 0.00 O ATOM 0 H GLY A 91 19.214 5.714 1.586 1.00 0.00 H new ATOM 0 HA2 GLY A 91 17.862 6.937 3.051 1.00 0.00 H new ATOM 0 HA3 GLY A 91 19.115 6.912 4.276 1.00 0.00 H new ATOM 1250 N GLY A 92 18.540 9.099 2.033 1.00 0.00 N ATOM 1251 CA GLY A 92 18.878 10.428 1.555 1.00 0.00 C ATOM 1252 C GLY A 92 18.642 11.500 2.603 1.00 0.00 C ATOM 1253 O GLY A 92 17.707 11.343 3.417 1.00 0.00 O ATOM 0 H GLY A 92 17.609 8.775 1.772 1.00 0.00 H new ATOM 0 HA2 GLY A 92 19.925 10.446 1.251 1.00 0.00 H new ATOM 0 HA3 GLY A 92 18.285 10.654 0.669 1.00 0.00 H new TER 1257 GLY A 92