USER MOD reduce.3.24.130724 H: found=0, std=0, add=453, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 451 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 14 ASN : amide:sc= -0.303 X(o=-0.3,f=-0.62) USER MOD Set 1.2: A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -145:sc= 1.03 (180deg=0.0917) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ -160:sc= 0.107 (180deg=0.0385) USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.415 X(o=-0.42,f=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.109 K(o=-0.11,f=-1.1) USER MOD Single : A 30 THR OG1 : rot 72:sc= 1.27 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 ASN : amide:sc= 0.65 K(o=0.65,f=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -0.188 K(o=-0.19,f=-3.2!) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 0.879 K(o=0.88,f=-0.32) USER MOD Single : A 61 GLN : amide:sc= -0.0911 K(o=-0.091,f=-3) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -27.335 -0.783 2.645 1.00 0.00 N ATOM 2 CA MET A 1 -26.388 -0.876 1.520 1.00 0.00 C ATOM 3 C MET A 1 -25.815 0.511 1.265 1.00 0.00 C ATOM 4 O MET A 1 -26.561 1.468 1.046 1.00 0.00 O ATOM 5 CB MET A 1 -26.998 -1.551 0.276 1.00 0.00 C ATOM 6 CG MET A 1 -28.074 -0.760 -0.480 1.00 0.00 C ATOM 7 SD MET A 1 -29.613 -0.475 0.431 1.00 0.00 S ATOM 8 CE MET A 1 -30.342 0.794 -0.639 1.00 0.00 C ATOM 0 H1 MET A 1 -27.289 -1.654 3.211 1.00 0.00 H new ATOM 0 H2 MET A 1 -27.086 0.031 3.242 1.00 0.00 H new ATOM 0 H3 MET A 1 -28.300 -0.660 2.277 1.00 0.00 H new ATOM 0 HA MET A 1 -25.566 -1.542 1.782 1.00 0.00 H new ATOM 0 HB2 MET A 1 -26.190 -1.776 -0.420 1.00 0.00 H new ATOM 0 HB3 MET A 1 -27.429 -2.504 0.583 1.00 0.00 H new ATOM 0 HG2 MET A 1 -27.657 0.206 -0.766 1.00 0.00 H new ATOM 0 HG3 MET A 1 -28.311 -1.291 -1.402 1.00 0.00 H new ATOM 0 HE1 MET A 1 -31.307 1.100 -0.235 1.00 0.00 H new ATOM 0 HE2 MET A 1 -29.678 1.657 -0.684 1.00 0.00 H new ATOM 0 HE3 MET A 1 -30.480 0.389 -1.642 1.00 0.00 H new ATOM 18 N GLU A 2 -24.495 0.650 1.319 1.00 0.00 N ATOM 19 CA GLU A 2 -23.777 1.890 1.140 1.00 0.00 C ATOM 20 C GLU A 2 -22.403 1.555 0.573 1.00 0.00 C ATOM 21 O GLU A 2 -21.819 0.512 0.888 1.00 0.00 O ATOM 22 CB GLU A 2 -23.672 2.602 2.501 1.00 0.00 C ATOM 23 CG GLU A 2 -22.807 1.810 3.509 1.00 0.00 C ATOM 24 CD GLU A 2 -23.076 2.116 4.980 1.00 0.00 C ATOM 25 OE1 GLU A 2 -24.160 2.650 5.316 1.00 0.00 O ATOM 26 OE2 GLU A 2 -22.259 1.683 5.826 1.00 0.00 O ATOM 0 H GLU A 2 -23.875 -0.140 1.497 1.00 0.00 H new ATOM 0 HA GLU A 2 -24.290 2.559 0.449 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -23.244 3.594 2.358 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -24.671 2.742 2.914 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -22.966 0.745 3.341 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -21.757 2.012 3.299 1.00 0.00 H new ATOM 33 N GLU A 3 -21.893 2.468 -0.234 1.00 0.00 N ATOM 34 CA GLU A 3 -20.612 2.393 -0.915 1.00 0.00 C ATOM 35 C GLU A 3 -19.732 3.580 -0.501 1.00 0.00 C ATOM 36 O GLU A 3 -20.230 4.589 0.017 1.00 0.00 O ATOM 37 CB GLU A 3 -20.825 2.378 -2.439 1.00 0.00 C ATOM 38 CG GLU A 3 -22.030 1.573 -2.963 1.00 0.00 C ATOM 39 CD GLU A 3 -23.402 2.208 -2.694 1.00 0.00 C ATOM 40 OE1 GLU A 3 -23.563 3.440 -2.889 1.00 0.00 O ATOM 41 OE2 GLU A 3 -24.344 1.479 -2.294 1.00 0.00 O ATOM 0 H GLU A 3 -22.391 3.333 -0.444 1.00 0.00 H new ATOM 0 HA GLU A 3 -20.106 1.470 -0.630 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -20.932 3.409 -2.778 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -19.923 1.981 -2.904 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -21.915 1.434 -4.038 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -22.010 0.582 -2.510 1.00 0.00 H new ATOM 48 N VAL A 4 -18.430 3.467 -0.755 1.00 0.00 N ATOM 49 CA VAL A 4 -17.380 4.437 -0.462 1.00 0.00 C ATOM 50 C VAL A 4 -16.287 4.317 -1.527 1.00 0.00 C ATOM 51 O VAL A 4 -16.346 3.439 -2.393 1.00 0.00 O ATOM 52 CB VAL A 4 -16.757 4.170 0.934 1.00 0.00 C ATOM 53 CG1 VAL A 4 -17.767 4.293 2.071 1.00 0.00 C ATOM 54 CG2 VAL A 4 -16.102 2.786 1.070 1.00 0.00 C ATOM 0 H VAL A 4 -18.055 2.632 -1.205 1.00 0.00 H new ATOM 0 HA VAL A 4 -17.813 5.437 -0.465 1.00 0.00 H new ATOM 0 HB VAL A 4 -15.994 4.945 1.013 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -17.271 4.095 3.021 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -18.182 5.301 2.081 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -18.570 3.571 1.924 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -15.690 2.675 2.073 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -16.849 2.011 0.897 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -15.302 2.688 0.336 1.00 0.00 H new ATOM 64 N THR A 5 -15.301 5.210 -1.462 1.00 0.00 N ATOM 65 CA THR A 5 -14.149 5.222 -2.339 1.00 0.00 C ATOM 66 C THR A 5 -12.956 5.276 -1.396 1.00 0.00 C ATOM 67 O THR A 5 -12.774 6.287 -0.712 1.00 0.00 O ATOM 68 CB THR A 5 -14.149 6.393 -3.330 1.00 0.00 C ATOM 69 OG1 THR A 5 -15.380 6.479 -4.024 1.00 0.00 O ATOM 70 CG2 THR A 5 -12.994 6.187 -4.321 1.00 0.00 C ATOM 0 H THR A 5 -15.289 5.964 -0.775 1.00 0.00 H new ATOM 0 HA THR A 5 -14.136 4.343 -2.983 1.00 0.00 H new ATOM 0 HB THR A 5 -14.018 7.327 -2.784 1.00 0.00 H new ATOM 0 HG1 THR A 5 -15.352 7.235 -4.647 1.00 0.00 H new ATOM 0 HG21 THR A 5 -12.976 7.010 -5.035 1.00 0.00 H new ATOM 0 HG22 THR A 5 -12.049 6.158 -3.778 1.00 0.00 H new ATOM 0 HG23 THR A 5 -13.135 5.247 -4.854 1.00 0.00 H new ATOM 78 N ILE A 6 -12.202 4.188 -1.275 1.00 0.00 N ATOM 79 CA ILE A 6 -11.032 4.144 -0.413 1.00 0.00 C ATOM 80 C ILE A 6 -9.842 4.500 -1.297 1.00 0.00 C ATOM 81 O ILE A 6 -9.674 3.936 -2.385 1.00 0.00 O ATOM 82 CB ILE A 6 -10.910 2.785 0.305 1.00 0.00 C ATOM 83 CG1 ILE A 6 -12.140 2.612 1.230 1.00 0.00 C ATOM 84 CG2 ILE A 6 -9.594 2.709 1.096 1.00 0.00 C ATOM 85 CD1 ILE A 6 -12.121 1.369 2.122 1.00 0.00 C ATOM 0 H ILE A 6 -12.386 3.316 -1.771 1.00 0.00 H new ATOM 0 HA ILE A 6 -11.096 4.860 0.406 1.00 0.00 H new ATOM 0 HB ILE A 6 -10.891 1.974 -0.423 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -12.222 3.493 1.866 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -13.037 2.581 0.611 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -9.525 1.743 1.596 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -8.752 2.825 0.414 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -9.570 3.505 1.840 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -13.026 1.343 2.729 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -12.076 0.475 1.500 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -11.248 1.402 2.774 1.00 0.00 H new ATOM 97 N LYS A 7 -9.078 5.509 -0.882 1.00 0.00 N ATOM 98 CA LYS A 7 -7.892 5.963 -1.590 1.00 0.00 C ATOM 99 C LYS A 7 -6.743 5.216 -0.924 1.00 0.00 C ATOM 100 O LYS A 7 -6.721 5.109 0.304 1.00 0.00 O ATOM 101 CB LYS A 7 -7.769 7.487 -1.489 1.00 0.00 C ATOM 102 CG LYS A 7 -6.855 7.994 -2.611 1.00 0.00 C ATOM 103 CD LYS A 7 -6.589 9.498 -2.521 1.00 0.00 C ATOM 104 CE LYS A 7 -7.793 10.402 -2.800 1.00 0.00 C ATOM 105 NZ LYS A 7 -8.268 10.343 -4.194 1.00 0.00 N ATOM 0 H LYS A 7 -9.272 6.039 -0.032 1.00 0.00 H new ATOM 0 HA LYS A 7 -7.912 5.755 -2.660 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -8.753 7.949 -1.568 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -7.362 7.768 -0.517 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -5.907 7.458 -2.571 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -7.310 7.767 -3.575 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -6.212 9.723 -1.523 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -5.797 9.751 -3.225 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -8.609 10.120 -2.135 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -7.527 11.431 -2.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -8.833 11.190 -4.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -7.452 10.303 -4.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -8.854 9.494 -4.325 1.00 0.00 H new ATOM 119 N ALA A 8 -5.843 4.631 -1.707 1.00 0.00 N ATOM 120 CA ALA A 8 -4.726 3.866 -1.179 1.00 0.00 C ATOM 121 C ALA A 8 -3.381 4.433 -1.643 1.00 0.00 C ATOM 122 O ALA A 8 -3.125 4.528 -2.844 1.00 0.00 O ATOM 123 CB ALA A 8 -4.943 2.392 -1.539 1.00 0.00 C ATOM 0 H ALA A 8 -5.870 4.676 -2.726 1.00 0.00 H new ATOM 0 HA ALA A 8 -4.687 3.944 -0.093 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -4.115 1.797 -1.152 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -5.877 2.044 -1.098 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -4.991 2.285 -2.623 1.00 0.00 H new ATOM 129 N ASN A 9 -2.548 4.866 -0.694 1.00 0.00 N ATOM 130 CA ASN A 9 -1.213 5.419 -0.908 1.00 0.00 C ATOM 131 C ASN A 9 -0.244 4.246 -0.966 1.00 0.00 C ATOM 132 O ASN A 9 -0.213 3.447 -0.027 1.00 0.00 O ATOM 133 CB ASN A 9 -0.767 6.292 0.276 1.00 0.00 C ATOM 134 CG ASN A 9 -1.452 7.639 0.322 1.00 0.00 C ATOM 135 OD1 ASN A 9 -1.175 8.499 -0.506 1.00 0.00 O ATOM 136 ND2 ASN A 9 -2.350 7.845 1.274 1.00 0.00 N ATOM 0 H ASN A 9 -2.801 4.838 0.294 1.00 0.00 H new ATOM 0 HA ASN A 9 -1.226 6.020 -1.817 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -0.967 5.759 1.206 1.00 0.00 H new ATOM 0 HB3 ASN A 9 0.311 6.443 0.220 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -2.834 8.741 1.333 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -2.557 7.108 1.948 1.00 0.00 H new ATOM 143 N LEU A 10 0.515 4.090 -2.046 1.00 0.00 N ATOM 144 CA LEU A 10 1.498 3.024 -2.232 1.00 0.00 C ATOM 145 C LEU A 10 2.866 3.686 -2.152 1.00 0.00 C ATOM 146 O LEU A 10 3.090 4.744 -2.753 1.00 0.00 O ATOM 147 CB LEU A 10 1.343 2.313 -3.592 1.00 0.00 C ATOM 148 CG LEU A 10 -0.006 1.599 -3.778 1.00 0.00 C ATOM 149 CD1 LEU A 10 -0.386 1.449 -5.251 1.00 0.00 C ATOM 150 CD2 LEU A 10 0.006 0.213 -3.119 1.00 0.00 C ATOM 0 H LEU A 10 0.462 4.723 -2.844 1.00 0.00 H new ATOM 0 HA LEU A 10 1.361 2.259 -1.468 1.00 0.00 H new ATOM 0 HB2 LEU A 10 1.467 3.046 -4.389 1.00 0.00 H new ATOM 0 HB3 LEU A 10 2.146 1.584 -3.702 1.00 0.00 H new ATOM 0 HG LEU A 10 -0.752 2.228 -3.293 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -1.346 0.939 -5.329 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -0.461 2.435 -5.710 1.00 0.00 H new ATOM 0 HD13 LEU A 10 0.377 0.866 -5.766 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -0.961 -0.268 -3.267 1.00 0.00 H new ATOM 0 HD22 LEU A 10 0.788 -0.398 -3.570 1.00 0.00 H new ATOM 0 HD23 LEU A 10 0.199 0.319 -2.052 1.00 0.00 H new ATOM 162 N ILE A 11 3.777 3.068 -1.413 1.00 0.00 N ATOM 163 CA ILE A 11 5.147 3.520 -1.208 1.00 0.00 C ATOM 164 C ILE A 11 5.974 2.254 -1.425 1.00 0.00 C ATOM 165 O ILE A 11 5.688 1.234 -0.796 1.00 0.00 O ATOM 166 CB ILE A 11 5.304 4.140 0.202 1.00 0.00 C ATOM 167 CG1 ILE A 11 4.282 5.273 0.482 1.00 0.00 C ATOM 168 CG2 ILE A 11 6.736 4.671 0.393 1.00 0.00 C ATOM 169 CD1 ILE A 11 4.192 5.669 1.957 1.00 0.00 C ATOM 0 H ILE A 11 3.573 2.200 -0.918 1.00 0.00 H new ATOM 0 HA ILE A 11 5.467 4.314 -1.883 1.00 0.00 H new ATOM 0 HB ILE A 11 5.103 3.343 0.918 1.00 0.00 H new ATOM 0 HG12 ILE A 11 4.555 6.150 -0.105 1.00 0.00 H new ATOM 0 HG13 ILE A 11 3.297 4.955 0.140 1.00 0.00 H new ATOM 0 HG21 ILE A 11 6.834 5.104 1.388 1.00 0.00 H new ATOM 0 HG22 ILE A 11 7.446 3.851 0.283 1.00 0.00 H new ATOM 0 HG23 ILE A 11 6.944 5.434 -0.357 1.00 0.00 H new ATOM 0 HD11 ILE A 11 3.458 6.466 2.076 1.00 0.00 H new ATOM 0 HD12 ILE A 11 3.888 4.805 2.548 1.00 0.00 H new ATOM 0 HD13 ILE A 11 5.166 6.019 2.300 1.00 0.00 H new ATOM 181 N PHE A 12 6.943 2.295 -2.340 1.00 0.00 N ATOM 182 CA PHE A 12 7.795 1.156 -2.674 1.00 0.00 C ATOM 183 C PHE A 12 9.214 1.357 -2.141 1.00 0.00 C ATOM 184 O PHE A 12 9.622 2.490 -1.881 1.00 0.00 O ATOM 185 CB PHE A 12 7.758 0.955 -4.197 1.00 0.00 C ATOM 186 CG PHE A 12 6.354 0.787 -4.763 1.00 0.00 C ATOM 187 CD1 PHE A 12 5.551 -0.296 -4.354 1.00 0.00 C ATOM 188 CD2 PHE A 12 5.837 1.720 -5.684 1.00 0.00 C ATOM 189 CE1 PHE A 12 4.259 -0.462 -4.883 1.00 0.00 C ATOM 190 CE2 PHE A 12 4.545 1.555 -6.213 1.00 0.00 C ATOM 191 CZ PHE A 12 3.758 0.458 -5.820 1.00 0.00 C ATOM 0 H PHE A 12 7.160 3.134 -2.878 1.00 0.00 H new ATOM 0 HA PHE A 12 7.423 0.251 -2.194 1.00 0.00 H new ATOM 0 HB2 PHE A 12 8.233 1.810 -4.678 1.00 0.00 H new ATOM 0 HB3 PHE A 12 8.350 0.076 -4.452 1.00 0.00 H new ATOM 0 HD1 PHE A 12 5.930 -1.002 -3.630 1.00 0.00 H new ATOM 0 HD2 PHE A 12 6.437 2.566 -5.985 1.00 0.00 H new ATOM 0 HE1 PHE A 12 3.651 -1.297 -4.569 1.00 0.00 H new ATOM 0 HE2 PHE A 12 4.157 2.271 -6.922 1.00 0.00 H new ATOM 0 HZ PHE A 12 2.771 0.323 -6.237 1.00 0.00 H new ATOM 201 N ALA A 13 9.981 0.274 -1.980 1.00 0.00 N ATOM 202 CA ALA A 13 11.365 0.267 -1.488 1.00 0.00 C ATOM 203 C ALA A 13 12.366 0.824 -2.516 1.00 0.00 C ATOM 204 O ALA A 13 13.572 0.877 -2.267 1.00 0.00 O ATOM 205 CB ALA A 13 11.745 -1.148 -1.053 1.00 0.00 C ATOM 0 H ALA A 13 9.641 -0.663 -2.198 1.00 0.00 H new ATOM 0 HA ALA A 13 11.417 0.936 -0.629 1.00 0.00 H new ATOM 0 HB1 ALA A 13 12.772 -1.153 -0.688 1.00 0.00 H new ATOM 0 HB2 ALA A 13 11.076 -1.476 -0.258 1.00 0.00 H new ATOM 0 HB3 ALA A 13 11.659 -1.825 -1.903 1.00 0.00 H new ATOM 211 N ASN A 14 11.862 1.198 -3.693 1.00 0.00 N ATOM 212 CA ASN A 14 12.601 1.796 -4.799 1.00 0.00 C ATOM 213 C ASN A 14 12.448 3.328 -4.697 1.00 0.00 C ATOM 214 O ASN A 14 12.840 4.065 -5.598 1.00 0.00 O ATOM 215 CB ASN A 14 12.041 1.257 -6.131 1.00 0.00 C ATOM 216 CG ASN A 14 12.774 1.797 -7.358 1.00 0.00 C ATOM 217 OD1 ASN A 14 13.984 1.991 -7.349 1.00 0.00 O ATOM 218 ND2 ASN A 14 12.073 2.072 -8.445 1.00 0.00 N ATOM 0 H ASN A 14 10.872 1.084 -3.909 1.00 0.00 H new ATOM 0 HA ASN A 14 13.660 1.541 -4.756 1.00 0.00 H new ATOM 0 HB2 ASN A 14 12.103 0.169 -6.129 1.00 0.00 H new ATOM 0 HB3 ASN A 14 10.985 1.516 -6.204 1.00 0.00 H new ATOM 0 HD21 ASN A 14 12.540 2.444 -9.272 1.00 0.00 H new ATOM 0 HD22 ASN A 14 11.066 1.912 -8.456 1.00 0.00 H new ATOM 225 N GLY A 15 11.799 3.843 -3.644 1.00 0.00 N ATOM 226 CA GLY A 15 11.563 5.263 -3.416 1.00 0.00 C ATOM 227 C GLY A 15 10.358 5.797 -4.197 1.00 0.00 C ATOM 228 O GLY A 15 9.895 6.915 -3.936 1.00 0.00 O ATOM 0 H GLY A 15 11.413 3.256 -2.905 1.00 0.00 H new ATOM 0 HA2 GLY A 15 11.405 5.434 -2.351 1.00 0.00 H new ATOM 0 HA3 GLY A 15 12.453 5.825 -3.700 1.00 0.00 H new ATOM 232 N SER A 16 9.847 5.029 -5.162 1.00 0.00 N ATOM 233 CA SER A 16 8.701 5.409 -5.968 1.00 0.00 C ATOM 234 C SER A 16 7.433 5.369 -5.113 1.00 0.00 C ATOM 235 O SER A 16 7.351 4.638 -4.121 1.00 0.00 O ATOM 236 CB SER A 16 8.581 4.472 -7.169 1.00 0.00 C ATOM 237 OG SER A 16 9.806 4.427 -7.876 1.00 0.00 O ATOM 0 H SER A 16 10.228 4.114 -5.403 1.00 0.00 H new ATOM 0 HA SER A 16 8.834 6.426 -6.338 1.00 0.00 H new ATOM 0 HB2 SER A 16 8.309 3.471 -6.833 1.00 0.00 H new ATOM 0 HB3 SER A 16 7.784 4.814 -7.829 1.00 0.00 H new ATOM 0 HG SER A 16 9.719 3.823 -8.643 1.00 0.00 H new ATOM 243 N THR A 17 6.426 6.125 -5.535 1.00 0.00 N ATOM 244 CA THR A 17 5.143 6.245 -4.866 1.00 0.00 C ATOM 245 C THR A 17 4.043 6.237 -5.927 1.00 0.00 C ATOM 246 O THR A 17 4.279 6.687 -7.053 1.00 0.00 O ATOM 247 CB THR A 17 5.159 7.535 -4.023 1.00 0.00 C ATOM 248 OG1 THR A 17 5.735 8.627 -4.731 1.00 0.00 O ATOM 249 CG2 THR A 17 5.945 7.340 -2.727 1.00 0.00 C ATOM 0 H THR A 17 6.486 6.690 -6.382 1.00 0.00 H new ATOM 0 HA THR A 17 4.949 5.412 -4.190 1.00 0.00 H new ATOM 0 HB THR A 17 4.117 7.761 -3.798 1.00 0.00 H new ATOM 0 HG1 THR A 17 5.725 9.426 -4.164 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.938 8.267 -2.154 1.00 0.00 H new ATOM 0 HG22 THR A 17 5.485 6.546 -2.138 1.00 0.00 H new ATOM 0 HG23 THR A 17 6.974 7.067 -2.963 1.00 0.00 H new ATOM 257 N GLN A 18 2.852 5.750 -5.590 1.00 0.00 N ATOM 258 CA GLN A 18 1.709 5.659 -6.498 1.00 0.00 C ATOM 259 C GLN A 18 0.420 5.729 -5.674 1.00 0.00 C ATOM 260 O GLN A 18 0.417 5.258 -4.539 1.00 0.00 O ATOM 261 CB GLN A 18 1.851 4.332 -7.268 1.00 0.00 C ATOM 262 CG GLN A 18 0.790 4.052 -8.336 1.00 0.00 C ATOM 263 CD GLN A 18 1.166 2.776 -9.089 1.00 0.00 C ATOM 264 OE1 GLN A 18 1.769 2.809 -10.157 1.00 0.00 O ATOM 265 NE2 GLN A 18 0.885 1.611 -8.535 1.00 0.00 N ATOM 0 H GLN A 18 2.648 5.398 -4.654 1.00 0.00 H new ATOM 0 HA GLN A 18 1.674 6.479 -7.215 1.00 0.00 H new ATOM 0 HB2 GLN A 18 2.830 4.317 -7.746 1.00 0.00 H new ATOM 0 HB3 GLN A 18 1.835 3.515 -6.547 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -0.190 3.941 -7.873 1.00 0.00 H new ATOM 0 HG3 GLN A 18 0.722 4.891 -9.028 1.00 0.00 H new ATOM 0 HE21 GLN A 18 0.384 1.576 -7.647 1.00 0.00 H new ATOM 0 HE22 GLN A 18 1.169 0.746 -8.995 1.00 0.00 H new ATOM 274 N THR A 19 -0.665 6.317 -6.179 1.00 0.00 N ATOM 275 CA THR A 19 -1.927 6.391 -5.442 1.00 0.00 C ATOM 276 C THR A 19 -3.019 5.680 -6.250 1.00 0.00 C ATOM 277 O THR A 19 -3.145 5.896 -7.460 1.00 0.00 O ATOM 278 CB THR A 19 -2.319 7.844 -5.102 1.00 0.00 C ATOM 279 OG1 THR A 19 -1.222 8.686 -4.803 1.00 0.00 O ATOM 280 CG2 THR A 19 -3.192 7.895 -3.844 1.00 0.00 C ATOM 0 H THR A 19 -0.695 6.752 -7.101 1.00 0.00 H new ATOM 0 HA THR A 19 -1.804 5.886 -4.484 1.00 0.00 H new ATOM 0 HB THR A 19 -2.828 8.191 -6.001 1.00 0.00 H new ATOM 0 HG1 THR A 19 -1.548 9.588 -4.600 1.00 0.00 H new ATOM 0 HG21 THR A 19 -3.455 8.930 -3.625 1.00 0.00 H new ATOM 0 HG22 THR A 19 -4.101 7.317 -4.008 1.00 0.00 H new ATOM 0 HG23 THR A 19 -2.642 7.475 -3.002 1.00 0.00 H new ATOM 288 N ALA A 20 -3.802 4.826 -5.590 1.00 0.00 N ATOM 289 CA ALA A 20 -4.909 4.064 -6.157 1.00 0.00 C ATOM 290 C ALA A 20 -6.231 4.507 -5.529 1.00 0.00 C ATOM 291 O ALA A 20 -6.233 5.193 -4.502 1.00 0.00 O ATOM 292 CB ALA A 20 -4.671 2.568 -5.924 1.00 0.00 C ATOM 0 H ALA A 20 -3.673 4.639 -4.596 1.00 0.00 H new ATOM 0 HA ALA A 20 -4.965 4.249 -7.230 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -5.498 1.998 -6.347 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -3.740 2.268 -6.405 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -4.606 2.372 -4.854 1.00 0.00 H new ATOM 298 N GLU A 21 -7.353 4.108 -6.127 1.00 0.00 N ATOM 299 CA GLU A 21 -8.715 4.400 -5.696 1.00 0.00 C ATOM 300 C GLU A 21 -9.558 3.167 -5.983 1.00 0.00 C ATOM 301 O GLU A 21 -9.575 2.700 -7.126 1.00 0.00 O ATOM 302 CB GLU A 21 -9.298 5.593 -6.474 1.00 0.00 C ATOM 303 CG GLU A 21 -8.786 6.896 -5.872 1.00 0.00 C ATOM 304 CD GLU A 21 -9.074 8.110 -6.741 1.00 0.00 C ATOM 305 OE1 GLU A 21 -8.473 8.236 -7.834 1.00 0.00 O ATOM 306 OE2 GLU A 21 -9.789 9.018 -6.263 1.00 0.00 O ATOM 0 H GLU A 21 -7.332 3.540 -6.974 1.00 0.00 H new ATOM 0 HA GLU A 21 -8.716 4.653 -4.636 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.013 5.529 -7.524 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.387 5.567 -6.437 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -9.243 7.041 -4.893 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -7.710 6.818 -5.713 1.00 0.00 H new ATOM 313 N PHE A 22 -10.258 2.653 -4.974 1.00 0.00 N ATOM 314 CA PHE A 22 -11.128 1.488 -5.076 1.00 0.00 C ATOM 315 C PHE A 22 -12.513 1.914 -4.608 1.00 0.00 C ATOM 316 O PHE A 22 -12.638 2.499 -3.530 1.00 0.00 O ATOM 317 CB PHE A 22 -10.589 0.336 -4.216 1.00 0.00 C ATOM 318 CG PHE A 22 -9.155 -0.039 -4.523 1.00 0.00 C ATOM 319 CD1 PHE A 22 -8.861 -0.930 -5.572 1.00 0.00 C ATOM 320 CD2 PHE A 22 -8.107 0.530 -3.777 1.00 0.00 C ATOM 321 CE1 PHE A 22 -7.526 -1.272 -5.856 1.00 0.00 C ATOM 322 CE2 PHE A 22 -6.775 0.211 -4.082 1.00 0.00 C ATOM 323 CZ PHE A 22 -6.481 -0.691 -5.118 1.00 0.00 C ATOM 0 H PHE A 22 -10.233 3.050 -4.035 1.00 0.00 H new ATOM 0 HA PHE A 22 -11.170 1.128 -6.104 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -10.665 0.614 -3.165 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -11.222 -0.539 -4.360 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -9.662 -1.352 -6.160 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -8.328 1.212 -2.969 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -7.305 -1.980 -6.641 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -5.972 0.661 -3.517 1.00 0.00 H new ATOM 0 HZ PHE A 22 -5.455 -0.937 -5.347 1.00 0.00 H new ATOM 333 N GLN A 23 -13.540 1.632 -5.406 1.00 0.00 N ATOM 334 CA GLN A 23 -14.930 1.959 -5.122 1.00 0.00 C ATOM 335 C GLN A 23 -15.646 0.645 -4.848 1.00 0.00 C ATOM 336 O GLN A 23 -15.386 -0.359 -5.517 1.00 0.00 O ATOM 337 CB GLN A 23 -15.586 2.652 -6.325 1.00 0.00 C ATOM 338 CG GLN A 23 -14.931 3.988 -6.699 1.00 0.00 C ATOM 339 CD GLN A 23 -15.454 4.570 -8.011 1.00 0.00 C ATOM 340 OE1 GLN A 23 -15.857 3.857 -8.932 1.00 0.00 O ATOM 341 NE2 GLN A 23 -15.407 5.879 -8.162 1.00 0.00 N ATOM 0 H GLN A 23 -13.420 1.153 -6.298 1.00 0.00 H new ATOM 0 HA GLN A 23 -14.991 2.638 -4.271 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -15.545 1.984 -7.185 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -16.640 2.823 -6.105 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -15.102 4.706 -5.897 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -13.853 3.847 -6.776 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -15.073 6.469 -7.400 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -15.704 6.302 -9.041 1.00 0.00 H new ATOM 350 N GLY A 24 -16.576 0.659 -3.905 1.00 0.00 N ATOM 351 CA GLY A 24 -17.347 -0.502 -3.496 1.00 0.00 C ATOM 352 C GLY A 24 -17.748 -0.303 -2.046 1.00 0.00 C ATOM 353 O GLY A 24 -17.741 0.825 -1.550 1.00 0.00 O ATOM 0 H GLY A 24 -16.821 1.504 -3.389 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -18.230 -0.615 -4.125 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -16.757 -1.412 -3.608 1.00 0.00 H new ATOM 357 N THR A 25 -18.188 -1.362 -1.376 1.00 0.00 N ATOM 358 CA THR A 25 -18.548 -1.243 0.028 1.00 0.00 C ATOM 359 C THR A 25 -17.242 -1.052 0.808 1.00 0.00 C ATOM 360 O THR A 25 -16.152 -1.296 0.279 1.00 0.00 O ATOM 361 CB THR A 25 -19.364 -2.464 0.466 1.00 0.00 C ATOM 362 OG1 THR A 25 -18.632 -3.661 0.294 1.00 0.00 O ATOM 363 CG2 THR A 25 -20.640 -2.539 -0.372 1.00 0.00 C ATOM 0 H THR A 25 -18.302 -2.294 -1.774 1.00 0.00 H new ATOM 0 HA THR A 25 -19.193 -0.386 0.222 1.00 0.00 H new ATOM 0 HB THR A 25 -19.602 -2.354 1.524 1.00 0.00 H new ATOM 0 HG1 THR A 25 -19.177 -4.422 0.583 1.00 0.00 H new ATOM 0 HG21 THR A 25 -21.226 -3.406 -0.066 1.00 0.00 H new ATOM 0 HG22 THR A 25 -21.227 -1.633 -0.223 1.00 0.00 H new ATOM 0 HG23 THR A 25 -20.378 -2.632 -1.426 1.00 0.00 H new ATOM 371 N PHE A 26 -17.326 -0.620 2.066 1.00 0.00 N ATOM 372 CA PHE A 26 -16.140 -0.401 2.880 1.00 0.00 C ATOM 373 C PHE A 26 -15.309 -1.681 2.977 1.00 0.00 C ATOM 374 O PHE A 26 -14.103 -1.677 2.729 1.00 0.00 O ATOM 375 CB PHE A 26 -16.576 0.102 4.258 1.00 0.00 C ATOM 376 CG PHE A 26 -15.410 0.424 5.160 1.00 0.00 C ATOM 377 CD1 PHE A 26 -14.755 1.659 5.029 1.00 0.00 C ATOM 378 CD2 PHE A 26 -14.974 -0.505 6.124 1.00 0.00 C ATOM 379 CE1 PHE A 26 -13.671 1.966 5.864 1.00 0.00 C ATOM 380 CE2 PHE A 26 -13.892 -0.191 6.963 1.00 0.00 C ATOM 381 CZ PHE A 26 -13.241 1.046 6.835 1.00 0.00 C ATOM 0 H PHE A 26 -18.206 -0.416 2.540 1.00 0.00 H new ATOM 0 HA PHE A 26 -15.503 0.353 2.417 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -17.192 0.993 4.136 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -17.200 -0.654 4.735 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -15.085 2.371 4.287 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -15.471 -1.459 6.218 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -13.164 2.914 5.760 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -13.561 -0.901 7.706 1.00 0.00 H new ATOM 0 HZ PHE A 26 -12.411 1.290 7.482 1.00 0.00 H new ATOM 391 N GLU A 27 -15.973 -2.792 3.286 1.00 0.00 N ATOM 392 CA GLU A 27 -15.337 -4.095 3.430 1.00 0.00 C ATOM 393 C GLU A 27 -14.778 -4.624 2.100 1.00 0.00 C ATOM 394 O GLU A 27 -13.831 -5.417 2.123 1.00 0.00 O ATOM 395 CB GLU A 27 -16.350 -5.054 4.073 1.00 0.00 C ATOM 396 CG GLU A 27 -16.587 -4.669 5.546 1.00 0.00 C ATOM 397 CD GLU A 27 -18.044 -4.811 5.969 1.00 0.00 C ATOM 398 OE1 GLU A 27 -18.520 -5.945 6.220 1.00 0.00 O ATOM 399 OE2 GLU A 27 -18.712 -3.756 6.094 1.00 0.00 O ATOM 0 H GLU A 27 -16.980 -2.811 3.445 1.00 0.00 H new ATOM 0 HA GLU A 27 -14.466 -4.007 4.079 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -17.292 -5.021 3.525 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -15.982 -6.078 4.012 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -15.966 -5.297 6.185 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -16.267 -3.639 5.703 1.00 0.00 H new ATOM 406 N GLN A 28 -15.331 -4.213 0.952 1.00 0.00 N ATOM 407 CA GLN A 28 -14.856 -4.649 -0.358 1.00 0.00 C ATOM 408 C GLN A 28 -13.625 -3.833 -0.741 1.00 0.00 C ATOM 409 O GLN A 28 -12.572 -4.410 -1.001 1.00 0.00 O ATOM 410 CB GLN A 28 -15.965 -4.513 -1.419 1.00 0.00 C ATOM 411 CG GLN A 28 -15.580 -5.071 -2.802 1.00 0.00 C ATOM 412 CD GLN A 28 -15.575 -6.600 -2.829 1.00 0.00 C ATOM 413 OE1 GLN A 28 -14.739 -7.260 -2.211 1.00 0.00 O ATOM 414 NE2 GLN A 28 -16.547 -7.217 -3.475 1.00 0.00 N ATOM 0 H GLN A 28 -16.120 -3.569 0.910 1.00 0.00 H new ATOM 0 HA GLN A 28 -14.583 -5.703 -0.309 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -16.857 -5.030 -1.066 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -16.227 -3.460 -1.523 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -16.281 -4.699 -3.550 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -14.593 -4.702 -3.079 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -17.242 -6.675 -3.989 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -16.603 -8.235 -3.461 1.00 0.00 H new ATOM 423 N ALA A 29 -13.747 -2.501 -0.759 1.00 0.00 N ATOM 424 CA ALA A 29 -12.673 -1.584 -1.116 1.00 0.00 C ATOM 425 C ALA A 29 -11.434 -1.800 -0.238 1.00 0.00 C ATOM 426 O ALA A 29 -10.313 -1.717 -0.740 1.00 0.00 O ATOM 427 CB ALA A 29 -13.201 -0.147 -1.062 1.00 0.00 C ATOM 0 H ALA A 29 -14.617 -2.026 -0.519 1.00 0.00 H new ATOM 0 HA ALA A 29 -12.345 -1.785 -2.136 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -12.402 0.545 -1.328 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -14.026 -0.036 -1.765 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -13.551 0.074 -0.054 1.00 0.00 H new ATOM 433 N THR A 30 -11.616 -2.116 1.048 1.00 0.00 N ATOM 434 CA THR A 30 -10.496 -2.368 1.949 1.00 0.00 C ATOM 435 C THR A 30 -9.749 -3.621 1.459 1.00 0.00 C ATOM 436 O THR A 30 -8.524 -3.613 1.332 1.00 0.00 O ATOM 437 CB THR A 30 -11.020 -2.501 3.392 1.00 0.00 C ATOM 438 OG1 THR A 30 -11.660 -1.309 3.783 1.00 0.00 O ATOM 439 CG2 THR A 30 -9.910 -2.765 4.408 1.00 0.00 C ATOM 0 H THR A 30 -12.533 -2.203 1.486 1.00 0.00 H new ATOM 0 HA THR A 30 -9.788 -1.539 1.948 1.00 0.00 H new ATOM 0 HB THR A 30 -11.704 -3.350 3.385 1.00 0.00 H new ATOM 0 HG1 THR A 30 -12.516 -1.228 3.313 1.00 0.00 H new ATOM 0 HG21 THR A 30 -10.342 -2.849 5.405 1.00 0.00 H new ATOM 0 HG22 THR A 30 -9.398 -3.694 4.155 1.00 0.00 H new ATOM 0 HG23 THR A 30 -9.197 -1.941 4.390 1.00 0.00 H new ATOM 447 N SER A 31 -10.486 -4.694 1.145 1.00 0.00 N ATOM 448 CA SER A 31 -9.919 -5.945 0.663 1.00 0.00 C ATOM 449 C SER A 31 -9.235 -5.742 -0.695 1.00 0.00 C ATOM 450 O SER A 31 -8.181 -6.322 -0.944 1.00 0.00 O ATOM 451 CB SER A 31 -11.057 -6.966 0.550 1.00 0.00 C ATOM 452 OG SER A 31 -10.598 -8.301 0.601 1.00 0.00 O ATOM 0 H SER A 31 -11.503 -4.711 1.222 1.00 0.00 H new ATOM 0 HA SER A 31 -9.160 -6.305 1.358 1.00 0.00 H new ATOM 0 HB2 SER A 31 -11.770 -6.800 1.357 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.592 -6.805 -0.386 1.00 0.00 H new ATOM 0 HG SER A 31 -11.360 -8.912 0.527 1.00 0.00 H new ATOM 458 N GLU A 32 -9.783 -4.876 -1.554 1.00 0.00 N ATOM 459 CA GLU A 32 -9.214 -4.600 -2.864 1.00 0.00 C ATOM 460 C GLU A 32 -7.837 -3.954 -2.745 1.00 0.00 C ATOM 461 O GLU A 32 -6.970 -4.229 -3.579 1.00 0.00 O ATOM 462 CB GLU A 32 -10.128 -3.687 -3.683 1.00 0.00 C ATOM 463 CG GLU A 32 -11.169 -4.444 -4.510 1.00 0.00 C ATOM 464 CD GLU A 32 -11.440 -3.678 -5.803 1.00 0.00 C ATOM 465 OE1 GLU A 32 -10.597 -3.742 -6.732 1.00 0.00 O ATOM 466 OE2 GLU A 32 -12.473 -2.986 -5.898 1.00 0.00 O ATOM 0 H GLU A 32 -10.634 -4.350 -1.354 1.00 0.00 H new ATOM 0 HA GLU A 32 -9.115 -5.558 -3.375 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -10.641 -3.001 -3.009 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -9.517 -3.080 -4.351 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -10.810 -5.448 -4.737 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -12.091 -4.556 -3.940 1.00 0.00 H new ATOM 473 N ALA A 33 -7.626 -3.110 -1.733 1.00 0.00 N ATOM 474 CA ALA A 33 -6.338 -2.464 -1.534 1.00 0.00 C ATOM 475 C ALA A 33 -5.279 -3.532 -1.217 1.00 0.00 C ATOM 476 O ALA A 33 -4.178 -3.500 -1.772 1.00 0.00 O ATOM 477 CB ALA A 33 -6.466 -1.407 -0.437 1.00 0.00 C ATOM 0 H ALA A 33 -8.334 -2.861 -1.042 1.00 0.00 H new ATOM 0 HA ALA A 33 -6.016 -1.949 -2.439 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -5.502 -0.921 -0.286 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -7.205 -0.663 -0.733 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -6.782 -1.883 0.491 1.00 0.00 H new ATOM 483 N TYR A 34 -5.638 -4.526 -0.395 1.00 0.00 N ATOM 484 CA TYR A 34 -4.736 -5.610 -0.016 1.00 0.00 C ATOM 485 C TYR A 34 -4.534 -6.567 -1.196 1.00 0.00 C ATOM 486 O TYR A 34 -3.465 -7.167 -1.334 1.00 0.00 O ATOM 487 CB TYR A 34 -5.316 -6.387 1.178 1.00 0.00 C ATOM 488 CG TYR A 34 -5.689 -5.573 2.404 1.00 0.00 C ATOM 489 CD1 TYR A 34 -4.890 -4.495 2.823 1.00 0.00 C ATOM 490 CD2 TYR A 34 -6.839 -5.912 3.145 1.00 0.00 C ATOM 491 CE1 TYR A 34 -5.247 -3.748 3.953 1.00 0.00 C ATOM 492 CE2 TYR A 34 -7.202 -5.167 4.279 1.00 0.00 C ATOM 493 CZ TYR A 34 -6.413 -4.066 4.677 1.00 0.00 C ATOM 494 OH TYR A 34 -6.766 -3.313 5.755 1.00 0.00 O ATOM 0 H TYR A 34 -6.565 -4.597 0.024 1.00 0.00 H new ATOM 0 HA TYR A 34 -3.775 -5.179 0.266 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -6.205 -6.918 0.839 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -4.589 -7.142 1.479 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -3.997 -4.242 2.271 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -7.446 -6.751 2.838 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -4.625 -2.924 4.271 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -8.082 -5.436 4.845 1.00 0.00 H new ATOM 0 HH TYR A 34 -7.595 -3.664 6.142 1.00 0.00 H new ATOM 504 N ALA A 35 -5.536 -6.715 -2.067 1.00 0.00 N ATOM 505 CA ALA A 35 -5.471 -7.576 -3.241 1.00 0.00 C ATOM 506 C ALA A 35 -4.425 -7.018 -4.201 1.00 0.00 C ATOM 507 O ALA A 35 -3.506 -7.728 -4.614 1.00 0.00 O ATOM 508 CB ALA A 35 -6.837 -7.620 -3.933 1.00 0.00 C ATOM 0 H ALA A 35 -6.428 -6.230 -1.970 1.00 0.00 H new ATOM 0 HA ALA A 35 -5.198 -8.588 -2.941 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -6.780 -8.265 -4.809 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -7.583 -8.012 -3.241 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -7.121 -6.614 -4.241 1.00 0.00 H new ATOM 514 N TYR A 36 -4.559 -5.726 -4.512 1.00 0.00 N ATOM 515 CA TYR A 36 -3.679 -4.984 -5.397 1.00 0.00 C ATOM 516 C TYR A 36 -2.254 -5.037 -4.853 1.00 0.00 C ATOM 517 O TYR A 36 -1.307 -5.301 -5.591 1.00 0.00 O ATOM 518 CB TYR A 36 -4.199 -3.544 -5.482 1.00 0.00 C ATOM 519 CG TYR A 36 -3.633 -2.737 -6.628 1.00 0.00 C ATOM 520 CD1 TYR A 36 -4.312 -2.737 -7.858 1.00 0.00 C ATOM 521 CD2 TYR A 36 -2.472 -1.958 -6.465 1.00 0.00 C ATOM 522 CE1 TYR A 36 -3.855 -1.949 -8.922 1.00 0.00 C ATOM 523 CE2 TYR A 36 -2.013 -1.154 -7.524 1.00 0.00 C ATOM 524 CZ TYR A 36 -2.720 -1.130 -8.748 1.00 0.00 C ATOM 525 OH TYR A 36 -2.331 -0.285 -9.742 1.00 0.00 O ATOM 0 H TYR A 36 -5.315 -5.153 -4.136 1.00 0.00 H new ATOM 0 HA TYR A 36 -3.666 -5.416 -6.398 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -5.285 -3.569 -5.574 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -3.970 -3.033 -4.547 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -5.193 -3.349 -7.984 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -1.935 -1.978 -5.528 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -4.369 -1.968 -9.871 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -1.122 -0.556 -7.402 1.00 0.00 H new ATOM 0 HH TYR A 36 -1.532 0.207 -9.459 1.00 0.00 H new ATOM 535 N ALA A 37 -2.092 -4.822 -3.543 1.00 0.00 N ATOM 536 CA ALA A 37 -0.785 -4.858 -2.917 1.00 0.00 C ATOM 537 C ALA A 37 -0.160 -6.255 -3.016 1.00 0.00 C ATOM 538 O ALA A 37 1.059 -6.356 -3.136 1.00 0.00 O ATOM 539 CB ALA A 37 -0.898 -4.425 -1.459 1.00 0.00 C ATOM 0 H ALA A 37 -2.859 -4.621 -2.901 1.00 0.00 H new ATOM 0 HA ALA A 37 -0.131 -4.165 -3.446 1.00 0.00 H new ATOM 0 HB1 ALA A 37 0.087 -4.454 -0.993 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -1.293 -3.410 -1.410 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -1.569 -5.101 -0.930 1.00 0.00 H new ATOM 545 N ASP A 38 -0.949 -7.336 -2.946 1.00 0.00 N ATOM 546 CA ASP A 38 -0.399 -8.691 -3.049 1.00 0.00 C ATOM 547 C ASP A 38 0.118 -8.934 -4.462 1.00 0.00 C ATOM 548 O ASP A 38 1.197 -9.497 -4.627 1.00 0.00 O ATOM 549 CB ASP A 38 -1.412 -9.785 -2.702 1.00 0.00 C ATOM 550 CG ASP A 38 -0.703 -11.146 -2.753 1.00 0.00 C ATOM 551 OD1 ASP A 38 -0.091 -11.542 -1.731 1.00 0.00 O ATOM 552 OD2 ASP A 38 -0.710 -11.803 -3.818 1.00 0.00 O ATOM 0 H ASP A 38 -1.960 -7.298 -2.820 1.00 0.00 H new ATOM 0 HA ASP A 38 0.409 -8.749 -2.319 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -1.829 -9.613 -1.710 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -2.245 -9.766 -3.405 1.00 0.00 H new ATOM 557 N THR A 39 -0.575 -8.400 -5.472 1.00 0.00 N ATOM 558 CA THR A 39 -0.211 -8.532 -6.877 1.00 0.00 C ATOM 559 C THR A 39 1.133 -7.843 -7.187 1.00 0.00 C ATOM 560 O THR A 39 1.703 -8.065 -8.258 1.00 0.00 O ATOM 561 CB THR A 39 -1.418 -8.087 -7.742 1.00 0.00 C ATOM 562 OG1 THR A 39 -1.831 -9.155 -8.574 1.00 0.00 O ATOM 563 CG2 THR A 39 -1.233 -6.834 -8.600 1.00 0.00 C ATOM 0 H THR A 39 -1.423 -7.852 -5.327 1.00 0.00 H new ATOM 0 HA THR A 39 -0.013 -9.572 -7.136 1.00 0.00 H new ATOM 0 HB THR A 39 -2.174 -7.810 -7.007 1.00 0.00 H new ATOM 0 HG1 THR A 39 -2.595 -8.870 -9.117 1.00 0.00 H new ATOM 0 HG21 THR A 39 -2.150 -6.634 -9.154 1.00 0.00 H new ATOM 0 HG22 THR A 39 -1.004 -5.984 -7.958 1.00 0.00 H new ATOM 0 HG23 THR A 39 -0.413 -6.991 -9.301 1.00 0.00 H new ATOM 571 N LEU A 40 1.679 -7.061 -6.249 1.00 0.00 N ATOM 572 CA LEU A 40 2.946 -6.342 -6.345 1.00 0.00 C ATOM 573 C LEU A 40 3.936 -6.821 -5.275 1.00 0.00 C ATOM 574 O LEU A 40 5.107 -6.456 -5.327 1.00 0.00 O ATOM 575 CB LEU A 40 2.667 -4.837 -6.143 1.00 0.00 C ATOM 576 CG LEU A 40 1.980 -4.157 -7.341 1.00 0.00 C ATOM 577 CD1 LEU A 40 1.304 -2.854 -6.899 1.00 0.00 C ATOM 578 CD2 LEU A 40 2.988 -3.842 -8.450 1.00 0.00 C ATOM 0 H LEU A 40 1.218 -6.907 -5.352 1.00 0.00 H new ATOM 0 HA LEU A 40 3.388 -6.528 -7.324 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.041 -4.710 -5.260 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.610 -4.328 -5.942 1.00 0.00 H new ATOM 0 HG LEU A 40 1.232 -4.849 -7.727 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.823 -2.385 -7.757 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.555 -3.073 -6.137 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.053 -2.177 -6.488 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.474 -3.362 -9.283 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.757 -3.173 -8.064 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.452 -4.767 -8.794 1.00 0.00 H new ATOM 590 N LYS A 41 3.517 -7.645 -4.311 1.00 0.00 N ATOM 591 CA LYS A 41 4.340 -8.142 -3.212 1.00 0.00 C ATOM 592 C LYS A 41 5.553 -8.955 -3.650 1.00 0.00 C ATOM 593 O LYS A 41 6.526 -9.013 -2.898 1.00 0.00 O ATOM 594 CB LYS A 41 3.443 -8.938 -2.247 1.00 0.00 C ATOM 595 CG LYS A 41 3.968 -8.930 -0.807 1.00 0.00 C ATOM 596 CD LYS A 41 3.069 -9.677 0.179 1.00 0.00 C ATOM 597 CE LYS A 41 3.270 -11.181 0.035 1.00 0.00 C ATOM 598 NZ LYS A 41 2.471 -11.951 1.009 1.00 0.00 N ATOM 0 H LYS A 41 2.560 -7.996 -4.276 1.00 0.00 H new ATOM 0 HA LYS A 41 4.768 -7.275 -2.708 1.00 0.00 H new ATOM 0 HB2 LYS A 41 2.437 -8.520 -2.265 1.00 0.00 H new ATOM 0 HB3 LYS A 41 3.366 -9.968 -2.595 1.00 0.00 H new ATOM 0 HG2 LYS A 41 4.962 -9.377 -0.789 1.00 0.00 H new ATOM 0 HG3 LYS A 41 4.077 -7.898 -0.475 1.00 0.00 H new ATOM 0 HD2 LYS A 41 3.298 -9.368 1.199 1.00 0.00 H new ATOM 0 HD3 LYS A 41 2.025 -9.423 -0.004 1.00 0.00 H new ATOM 0 HE2 LYS A 41 2.999 -11.486 -0.976 1.00 0.00 H new ATOM 0 HE3 LYS A 41 4.326 -11.418 0.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 2.642 -12.968 0.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 2.747 -11.681 1.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 1.461 -11.747 0.868 1.00 0.00 H new ATOM 612 N GLN A 42 5.523 -9.589 -4.821 1.00 0.00 N ATOM 613 CA GLN A 42 6.661 -10.369 -5.274 1.00 0.00 C ATOM 614 C GLN A 42 7.809 -9.431 -5.648 1.00 0.00 C ATOM 615 O GLN A 42 8.880 -9.501 -5.047 1.00 0.00 O ATOM 616 CB GLN A 42 6.256 -11.275 -6.446 1.00 0.00 C ATOM 617 CG GLN A 42 7.398 -12.192 -6.926 1.00 0.00 C ATOM 618 CD GLN A 42 7.672 -12.022 -8.414 1.00 0.00 C ATOM 619 OE1 GLN A 42 7.026 -12.654 -9.248 1.00 0.00 O ATOM 620 NE2 GLN A 42 8.630 -11.196 -8.796 1.00 0.00 N ATOM 0 H GLN A 42 4.731 -9.576 -5.463 1.00 0.00 H new ATOM 0 HA GLN A 42 7.004 -11.018 -4.468 1.00 0.00 H new ATOM 0 HB2 GLN A 42 5.407 -11.889 -6.146 1.00 0.00 H new ATOM 0 HB3 GLN A 42 5.922 -10.655 -7.278 1.00 0.00 H new ATOM 0 HG2 GLN A 42 8.304 -11.970 -6.362 1.00 0.00 H new ATOM 0 HG3 GLN A 42 7.141 -13.231 -6.720 1.00 0.00 H new ATOM 0 HE21 GLN A 42 9.162 -10.675 -8.099 1.00 0.00 H new ATOM 0 HE22 GLN A 42 8.838 -11.080 -9.788 1.00 0.00 H new ATOM 629 N ASP A 43 7.585 -8.562 -6.633 1.00 0.00 N ATOM 630 CA ASP A 43 8.576 -7.620 -7.144 1.00 0.00 C ATOM 631 C ASP A 43 8.840 -6.405 -6.261 1.00 0.00 C ATOM 632 O ASP A 43 9.910 -5.817 -6.372 1.00 0.00 O ATOM 633 CB ASP A 43 8.106 -7.141 -8.519 1.00 0.00 C ATOM 634 CG ASP A 43 9.143 -6.289 -9.242 1.00 0.00 C ATOM 635 OD1 ASP A 43 10.300 -6.752 -9.384 1.00 0.00 O ATOM 636 OD2 ASP A 43 8.750 -5.249 -9.826 1.00 0.00 O ATOM 0 H ASP A 43 6.685 -8.493 -7.109 1.00 0.00 H new ATOM 0 HA ASP A 43 9.522 -8.160 -7.179 1.00 0.00 H new ATOM 0 HB2 ASP A 43 7.862 -8.007 -9.135 1.00 0.00 H new ATOM 0 HB3 ASP A 43 7.188 -6.564 -8.402 1.00 0.00 H new ATOM 641 N ASN A 44 7.912 -6.040 -5.369 1.00 0.00 N ATOM 642 CA ASN A 44 8.062 -4.868 -4.496 1.00 0.00 C ATOM 643 C ASN A 44 8.333 -5.248 -3.041 1.00 0.00 C ATOM 644 O ASN A 44 8.680 -4.376 -2.244 1.00 0.00 O ATOM 645 CB ASN A 44 6.878 -3.893 -4.623 1.00 0.00 C ATOM 646 CG ASN A 44 6.671 -3.417 -6.055 1.00 0.00 C ATOM 647 OD1 ASN A 44 7.083 -2.330 -6.449 1.00 0.00 O ATOM 648 ND2 ASN A 44 6.015 -4.228 -6.868 1.00 0.00 N ATOM 0 H ASN A 44 7.038 -6.547 -5.231 1.00 0.00 H new ATOM 0 HA ASN A 44 8.949 -4.341 -4.848 1.00 0.00 H new ATOM 0 HB2 ASN A 44 5.969 -4.381 -4.270 1.00 0.00 H new ATOM 0 HB3 ASN A 44 7.049 -3.032 -3.977 1.00 0.00 H new ATOM 0 HD21 ASN A 44 5.846 -3.953 -7.836 1.00 0.00 H new ATOM 0 HD22 ASN A 44 5.678 -5.129 -6.527 1.00 0.00 H new ATOM 655 N GLY A 45 8.201 -6.522 -2.674 1.00 0.00 N ATOM 656 CA GLY A 45 8.475 -7.001 -1.329 1.00 0.00 C ATOM 657 C GLY A 45 7.299 -6.989 -0.371 1.00 0.00 C ATOM 658 O GLY A 45 6.160 -6.765 -0.770 1.00 0.00 O ATOM 0 H GLY A 45 7.897 -7.256 -3.314 1.00 0.00 H new ATOM 0 HA2 GLY A 45 8.853 -8.021 -1.397 1.00 0.00 H new ATOM 0 HA3 GLY A 45 9.273 -6.393 -0.903 1.00 0.00 H new ATOM 662 N GLU A 46 7.561 -7.377 0.882 1.00 0.00 N ATOM 663 CA GLU A 46 6.541 -7.418 1.931 1.00 0.00 C ATOM 664 C GLU A 46 5.996 -6.017 2.195 1.00 0.00 C ATOM 665 O GLU A 46 6.605 -5.026 1.798 1.00 0.00 O ATOM 666 CB GLU A 46 7.102 -7.999 3.238 1.00 0.00 C ATOM 667 CG GLU A 46 7.362 -9.504 3.147 1.00 0.00 C ATOM 668 CD GLU A 46 7.313 -10.141 4.539 1.00 0.00 C ATOM 669 OE1 GLU A 46 8.301 -10.055 5.299 1.00 0.00 O ATOM 670 OE2 GLU A 46 6.244 -10.707 4.890 1.00 0.00 O ATOM 0 H GLU A 46 8.486 -7.671 1.195 1.00 0.00 H new ATOM 0 HA GLU A 46 5.737 -8.066 1.581 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.031 -7.488 3.490 1.00 0.00 H new ATOM 0 HB3 GLU A 46 6.401 -7.803 4.049 1.00 0.00 H new ATOM 0 HG2 GLU A 46 6.618 -9.969 2.501 1.00 0.00 H new ATOM 0 HG3 GLU A 46 8.336 -9.684 2.692 1.00 0.00 H new ATOM 677 N TRP A 47 4.860 -5.931 2.886 1.00 0.00 N ATOM 678 CA TRP A 47 4.221 -4.664 3.207 1.00 0.00 C ATOM 679 C TRP A 47 3.449 -4.735 4.519 1.00 0.00 C ATOM 680 O TRP A 47 3.204 -5.817 5.062 1.00 0.00 O ATOM 681 CB TRP A 47 3.275 -4.274 2.051 1.00 0.00 C ATOM 682 CG TRP A 47 2.268 -5.298 1.592 1.00 0.00 C ATOM 683 CD1 TRP A 47 2.330 -5.956 0.414 1.00 0.00 C ATOM 684 CD2 TRP A 47 1.017 -5.732 2.215 1.00 0.00 C ATOM 685 NE1 TRP A 47 1.229 -6.777 0.269 1.00 0.00 N ATOM 686 CE2 TRP A 47 0.368 -6.656 1.339 1.00 0.00 C ATOM 687 CE3 TRP A 47 0.327 -5.399 3.402 1.00 0.00 C ATOM 688 CZ2 TRP A 47 -0.896 -7.200 1.628 1.00 0.00 C ATOM 689 CZ3 TRP A 47 -0.946 -5.924 3.702 1.00 0.00 C ATOM 690 CH2 TRP A 47 -1.562 -6.821 2.809 1.00 0.00 C ATOM 0 H TRP A 47 4.358 -6.745 3.239 1.00 0.00 H new ATOM 0 HA TRP A 47 4.995 -3.907 3.331 1.00 0.00 H new ATOM 0 HB2 TRP A 47 2.730 -3.379 2.351 1.00 0.00 H new ATOM 0 HB3 TRP A 47 3.889 -4.000 1.193 1.00 0.00 H new ATOM 0 HD1 TRP A 47 3.125 -5.855 -0.310 1.00 0.00 H new ATOM 0 HE1 TRP A 47 1.073 -7.394 -0.528 1.00 0.00 H new ATOM 0 HE3 TRP A 47 0.790 -4.720 4.102 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -1.353 -7.904 0.948 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -1.448 -5.639 4.615 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -2.542 -7.217 3.029 1.00 0.00 H new ATOM 701 N THR A 48 3.070 -3.570 5.030 1.00 0.00 N ATOM 702 CA THR A 48 2.279 -3.357 6.237 1.00 0.00 C ATOM 703 C THR A 48 1.324 -2.211 5.898 1.00 0.00 C ATOM 704 O THR A 48 1.581 -1.455 4.951 1.00 0.00 O ATOM 705 CB THR A 48 3.137 -3.109 7.493 1.00 0.00 C ATOM 706 OG1 THR A 48 4.274 -2.301 7.239 1.00 0.00 O ATOM 707 CG2 THR A 48 3.628 -4.432 8.077 1.00 0.00 C ATOM 0 H THR A 48 3.324 -2.689 4.582 1.00 0.00 H new ATOM 0 HA THR A 48 1.722 -4.253 6.511 1.00 0.00 H new ATOM 0 HB THR A 48 2.487 -2.585 8.194 1.00 0.00 H new ATOM 0 HG1 THR A 48 4.779 -2.176 8.070 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.232 -4.237 8.963 1.00 0.00 H new ATOM 0 HG22 THR A 48 2.772 -5.049 8.350 1.00 0.00 H new ATOM 0 HG23 THR A 48 4.231 -4.956 7.335 1.00 0.00 H new ATOM 715 N VAL A 49 0.225 -2.068 6.645 1.00 0.00 N ATOM 716 CA VAL A 49 -0.757 -1.028 6.375 1.00 0.00 C ATOM 717 C VAL A 49 -1.088 -0.244 7.642 1.00 0.00 C ATOM 718 O VAL A 49 -0.964 -0.751 8.758 1.00 0.00 O ATOM 719 CB VAL A 49 -1.990 -1.659 5.671 1.00 0.00 C ATOM 720 CG1 VAL A 49 -3.058 -0.605 5.315 1.00 0.00 C ATOM 721 CG2 VAL A 49 -1.554 -2.372 4.386 1.00 0.00 C ATOM 0 H VAL A 49 -0.002 -2.663 7.441 1.00 0.00 H new ATOM 0 HA VAL A 49 -0.347 -0.287 5.688 1.00 0.00 H new ATOM 0 HB VAL A 49 -2.429 -2.369 6.372 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -3.901 -1.092 4.825 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -3.402 -0.114 6.225 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -2.627 0.137 4.643 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -2.425 -2.811 3.900 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -1.086 -1.654 3.712 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.840 -3.159 4.631 1.00 0.00 H new ATOM 731 N ASP A 50 -1.444 1.024 7.453 1.00 0.00 N ATOM 732 CA ASP A 50 -1.847 2.004 8.457 1.00 0.00 C ATOM 733 C ASP A 50 -3.185 2.540 7.946 1.00 0.00 C ATOM 734 O ASP A 50 -3.312 2.821 6.747 1.00 0.00 O ATOM 735 CB ASP A 50 -0.810 3.128 8.604 1.00 0.00 C ATOM 736 CG ASP A 50 -1.349 4.275 9.444 1.00 0.00 C ATOM 737 OD1 ASP A 50 -1.544 4.079 10.660 1.00 0.00 O ATOM 738 OD2 ASP A 50 -1.552 5.381 8.897 1.00 0.00 O ATOM 0 H ASP A 50 -1.459 1.425 6.515 1.00 0.00 H new ATOM 0 HA ASP A 50 -1.929 1.563 9.451 1.00 0.00 H new ATOM 0 HB2 ASP A 50 0.095 2.732 9.065 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -0.530 3.498 7.618 1.00 0.00 H new ATOM 743 N VAL A 51 -4.195 2.612 8.812 1.00 0.00 N ATOM 744 CA VAL A 51 -5.530 3.085 8.464 1.00 0.00 C ATOM 745 C VAL A 51 -5.639 4.577 8.788 1.00 0.00 C ATOM 746 O VAL A 51 -5.185 5.014 9.849 1.00 0.00 O ATOM 747 CB VAL A 51 -6.582 2.179 9.144 1.00 0.00 C ATOM 748 CG1 VAL A 51 -6.594 2.235 10.676 1.00 0.00 C ATOM 749 CG2 VAL A 51 -7.989 2.458 8.610 1.00 0.00 C ATOM 0 H VAL A 51 -4.105 2.338 9.790 1.00 0.00 H new ATOM 0 HA VAL A 51 -5.727 3.008 7.395 1.00 0.00 H new ATOM 0 HB VAL A 51 -6.272 1.168 8.880 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -7.365 1.566 11.059 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.622 1.925 11.059 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -6.804 3.254 11.001 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -8.704 1.804 9.109 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -8.252 3.498 8.803 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -8.014 2.271 7.536 1.00 0.00 H new ATOM 759 N ALA A 52 -6.182 5.373 7.865 1.00 0.00 N ATOM 760 CA ALA A 52 -6.365 6.808 8.008 1.00 0.00 C ATOM 761 C ALA A 52 -7.775 7.194 7.547 1.00 0.00 C ATOM 762 O ALA A 52 -8.456 6.430 6.861 1.00 0.00 O ATOM 763 CB ALA A 52 -5.280 7.536 7.206 1.00 0.00 C ATOM 0 H ALA A 52 -6.516 5.019 6.969 1.00 0.00 H new ATOM 0 HA ALA A 52 -6.267 7.103 9.053 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -5.412 8.613 7.309 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -4.297 7.253 7.583 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -5.358 7.260 6.154 1.00 0.00 H new ATOM 769 N ASP A 53 -8.209 8.408 7.899 1.00 0.00 N ATOM 770 CA ASP A 53 -9.522 8.982 7.577 1.00 0.00 C ATOM 771 C ASP A 53 -10.643 7.959 7.836 1.00 0.00 C ATOM 772 O ASP A 53 -11.512 7.739 7.001 1.00 0.00 O ATOM 773 CB ASP A 53 -9.531 9.586 6.152 1.00 0.00 C ATOM 774 CG ASP A 53 -9.033 11.031 6.067 1.00 0.00 C ATOM 775 OD1 ASP A 53 -8.294 11.505 6.962 1.00 0.00 O ATOM 776 OD2 ASP A 53 -9.448 11.736 5.113 1.00 0.00 O ATOM 0 H ASP A 53 -7.629 9.048 8.441 1.00 0.00 H new ATOM 0 HA ASP A 53 -9.723 9.818 8.247 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -8.913 8.964 5.505 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -10.547 9.543 5.760 1.00 0.00 H new ATOM 781 N GLN A 54 -10.632 7.326 9.017 1.00 0.00 N ATOM 782 CA GLN A 54 -11.589 6.307 9.485 1.00 0.00 C ATOM 783 C GLN A 54 -11.605 5.012 8.653 1.00 0.00 C ATOM 784 O GLN A 54 -12.330 4.067 8.998 1.00 0.00 O ATOM 785 CB GLN A 54 -13.013 6.877 9.655 1.00 0.00 C ATOM 786 CG GLN A 54 -13.107 8.085 10.592 1.00 0.00 C ATOM 787 CD GLN A 54 -13.004 7.733 12.077 1.00 0.00 C ATOM 788 OE1 GLN A 54 -12.144 6.970 12.496 1.00 0.00 O ATOM 789 NE2 GLN A 54 -13.841 8.298 12.926 1.00 0.00 N ATOM 0 H GLN A 54 -9.914 7.521 9.714 1.00 0.00 H new ATOM 0 HA GLN A 54 -11.216 6.019 10.468 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -13.395 7.163 8.675 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -13.663 6.088 10.033 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -12.314 8.789 10.341 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -14.054 8.595 10.415 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -14.561 8.935 12.585 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -13.768 8.098 13.923 1.00 0.00 H new ATOM 798 N GLY A 55 -10.784 4.953 7.607 1.00 0.00 N ATOM 799 CA GLY A 55 -10.628 3.867 6.667 1.00 0.00 C ATOM 800 C GLY A 55 -10.774 4.354 5.227 1.00 0.00 C ATOM 801 O GLY A 55 -10.459 3.593 4.317 1.00 0.00 O ATOM 0 H GLY A 55 -10.164 5.732 7.385 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -9.649 3.406 6.800 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -11.373 3.098 6.870 1.00 0.00 H new ATOM 805 N TYR A 56 -11.212 5.599 4.982 1.00 0.00 N ATOM 806 CA TYR A 56 -11.344 6.115 3.621 1.00 0.00 C ATOM 807 C TYR A 56 -9.961 6.293 2.972 1.00 0.00 C ATOM 808 O TYR A 56 -9.882 6.474 1.753 1.00 0.00 O ATOM 809 CB TYR A 56 -12.120 7.447 3.579 1.00 0.00 C ATOM 810 CG TYR A 56 -13.506 7.475 4.213 1.00 0.00 C ATOM 811 CD1 TYR A 56 -14.511 6.569 3.815 1.00 0.00 C ATOM 812 CD2 TYR A 56 -13.798 8.432 5.205 1.00 0.00 C ATOM 813 CE1 TYR A 56 -15.777 6.597 4.436 1.00 0.00 C ATOM 814 CE2 TYR A 56 -15.049 8.455 5.842 1.00 0.00 C ATOM 815 CZ TYR A 56 -16.045 7.533 5.462 1.00 0.00 C ATOM 816 OH TYR A 56 -17.238 7.526 6.118 1.00 0.00 O ATOM 0 H TYR A 56 -11.479 6.261 5.710 1.00 0.00 H new ATOM 0 HA TYR A 56 -11.915 5.379 3.055 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -11.511 8.207 4.069 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -12.222 7.744 2.535 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -14.311 5.852 3.033 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -13.048 9.159 5.480 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -16.544 5.902 4.127 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -15.247 9.177 6.621 1.00 0.00 H new ATOM 0 HH TYR A 56 -17.245 8.238 6.791 1.00 0.00 H new ATOM 826 N THR A 57 -8.876 6.230 3.747 1.00 0.00 N ATOM 827 CA THR A 57 -7.514 6.370 3.272 1.00 0.00 C ATOM 828 C THR A 57 -6.701 5.219 3.855 1.00 0.00 C ATOM 829 O THR A 57 -6.740 4.953 5.057 1.00 0.00 O ATOM 830 CB THR A 57 -6.983 7.758 3.653 1.00 0.00 C ATOM 831 OG1 THR A 57 -7.799 8.726 3.019 1.00 0.00 O ATOM 832 CG2 THR A 57 -5.525 7.971 3.235 1.00 0.00 C ATOM 0 H THR A 57 -8.932 6.075 4.754 1.00 0.00 H new ATOM 0 HA THR A 57 -7.445 6.310 2.186 1.00 0.00 H new ATOM 0 HB THR A 57 -7.016 7.850 4.739 1.00 0.00 H new ATOM 0 HG1 THR A 57 -7.480 9.624 3.249 1.00 0.00 H new ATOM 0 HG21 THR A 57 -5.204 8.970 3.530 1.00 0.00 H new ATOM 0 HG22 THR A 57 -4.894 7.228 3.723 1.00 0.00 H new ATOM 0 HG23 THR A 57 -5.438 7.867 2.154 1.00 0.00 H new ATOM 840 N LEU A 58 -5.959 4.522 2.997 1.00 0.00 N ATOM 841 CA LEU A 58 -5.113 3.396 3.368 1.00 0.00 C ATOM 842 C LEU A 58 -3.683 3.717 2.985 1.00 0.00 C ATOM 843 O LEU A 58 -3.415 4.198 1.886 1.00 0.00 O ATOM 844 CB LEU A 58 -5.598 2.085 2.730 1.00 0.00 C ATOM 845 CG LEU A 58 -6.921 1.568 3.330 1.00 0.00 C ATOM 846 CD1 LEU A 58 -7.306 0.246 2.660 1.00 0.00 C ATOM 847 CD2 LEU A 58 -6.841 1.355 4.846 1.00 0.00 C ATOM 0 H LEU A 58 -5.931 4.732 1.999 1.00 0.00 H new ATOM 0 HA LEU A 58 -5.168 3.242 4.446 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -5.728 2.237 1.658 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.829 1.323 2.853 1.00 0.00 H new ATOM 0 HG LEU A 58 -7.676 2.332 3.144 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -8.241 -0.118 3.085 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -7.431 0.404 1.589 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -6.520 -0.490 2.829 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -7.800 0.991 5.213 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -6.065 0.623 5.070 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -6.601 2.300 5.334 1.00 0.00 H new ATOM 859 N ASN A 59 -2.760 3.498 3.912 1.00 0.00 N ATOM 860 CA ASN A 59 -1.339 3.746 3.728 1.00 0.00 C ATOM 861 C ASN A 59 -0.656 2.393 3.637 1.00 0.00 C ATOM 862 O ASN A 59 -0.553 1.717 4.658 1.00 0.00 O ATOM 863 CB ASN A 59 -0.803 4.505 4.935 1.00 0.00 C ATOM 864 CG ASN A 59 -1.272 5.939 5.048 1.00 0.00 C ATOM 865 OD1 ASN A 59 -1.279 6.686 4.068 1.00 0.00 O ATOM 866 ND2 ASN A 59 -1.620 6.348 6.256 1.00 0.00 N ATOM 0 H ASN A 59 -2.987 3.133 4.837 1.00 0.00 H new ATOM 0 HA ASN A 59 -1.155 4.335 2.830 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -1.094 3.971 5.840 1.00 0.00 H new ATOM 0 HB3 ASN A 59 0.286 4.497 4.896 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -1.909 7.315 6.404 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -1.600 5.696 7.040 1.00 0.00 H new ATOM 873 N ILE A 60 -0.218 1.982 2.448 1.00 0.00 N ATOM 874 CA ILE A 60 0.438 0.700 2.210 1.00 0.00 C ATOM 875 C ILE A 60 1.904 0.985 1.888 1.00 0.00 C ATOM 876 O ILE A 60 2.221 1.549 0.836 1.00 0.00 O ATOM 877 CB ILE A 60 -0.292 -0.090 1.096 1.00 0.00 C ATOM 878 CG1 ILE A 60 -1.817 -0.171 1.374 1.00 0.00 C ATOM 879 CG2 ILE A 60 0.348 -1.483 0.939 1.00 0.00 C ATOM 880 CD1 ILE A 60 -2.648 -0.996 0.385 1.00 0.00 C ATOM 0 H ILE A 60 -0.312 2.546 1.604 1.00 0.00 H new ATOM 0 HA ILE A 60 0.393 0.062 3.093 1.00 0.00 H new ATOM 0 HB ILE A 60 -0.178 0.440 0.150 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.961 -0.587 2.371 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.215 0.843 1.392 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.169 -2.035 0.154 1.00 0.00 H new ATOM 0 HG22 ILE A 60 1.399 -1.373 0.673 1.00 0.00 H new ATOM 0 HG23 ILE A 60 0.267 -2.028 1.879 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -3.696 -0.977 0.685 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -2.549 -0.573 -0.615 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -2.291 -2.026 0.380 1.00 0.00 H new ATOM 892 N GLN A 61 2.788 0.642 2.823 1.00 0.00 N ATOM 893 CA GLN A 61 4.228 0.824 2.697 1.00 0.00 C ATOM 894 C GLN A 61 4.830 -0.563 2.476 1.00 0.00 C ATOM 895 O GLN A 61 4.409 -1.516 3.138 1.00 0.00 O ATOM 896 CB GLN A 61 4.765 1.507 3.969 1.00 0.00 C ATOM 897 CG GLN A 61 5.970 2.430 3.731 1.00 0.00 C ATOM 898 CD GLN A 61 7.135 1.743 3.033 1.00 0.00 C ATOM 899 OE1 GLN A 61 7.263 1.826 1.814 1.00 0.00 O ATOM 900 NE2 GLN A 61 7.974 1.038 3.767 1.00 0.00 N ATOM 0 H GLN A 61 2.513 0.220 3.710 1.00 0.00 H new ATOM 0 HA GLN A 61 4.496 1.467 1.859 1.00 0.00 H new ATOM 0 HB2 GLN A 61 3.962 2.088 4.422 1.00 0.00 H new ATOM 0 HB3 GLN A 61 5.048 0.738 4.688 1.00 0.00 H new ATOM 0 HG2 GLN A 61 5.651 3.283 3.133 1.00 0.00 H new ATOM 0 HG3 GLN A 61 6.311 2.822 4.689 1.00 0.00 H new ATOM 0 HE21 GLN A 61 7.847 0.984 4.778 1.00 0.00 H new ATOM 0 HE22 GLN A 61 8.750 0.546 3.324 1.00 0.00 H new ATOM 909 N PHE A 62 5.763 -0.683 1.532 1.00 0.00 N ATOM 910 CA PHE A 62 6.444 -1.921 1.189 1.00 0.00 C ATOM 911 C PHE A 62 7.859 -1.885 1.771 1.00 0.00 C ATOM 912 O PHE A 62 8.625 -0.959 1.501 1.00 0.00 O ATOM 913 CB PHE A 62 6.486 -2.121 -0.333 1.00 0.00 C ATOM 914 CG PHE A 62 5.175 -2.516 -1.001 1.00 0.00 C ATOM 915 CD1 PHE A 62 4.076 -1.634 -1.045 1.00 0.00 C ATOM 916 CD2 PHE A 62 5.066 -3.772 -1.625 1.00 0.00 C ATOM 917 CE1 PHE A 62 2.892 -2.004 -1.705 1.00 0.00 C ATOM 918 CE2 PHE A 62 3.886 -4.141 -2.293 1.00 0.00 C ATOM 919 CZ PHE A 62 2.797 -3.256 -2.335 1.00 0.00 C ATOM 0 H PHE A 62 6.073 0.109 0.969 1.00 0.00 H new ATOM 0 HA PHE A 62 5.897 -2.763 1.613 1.00 0.00 H new ATOM 0 HB2 PHE A 62 6.837 -1.195 -0.790 1.00 0.00 H new ATOM 0 HB3 PHE A 62 7.228 -2.888 -0.556 1.00 0.00 H new ATOM 0 HD1 PHE A 62 4.145 -0.667 -0.568 1.00 0.00 H new ATOM 0 HD2 PHE A 62 5.898 -4.460 -1.590 1.00 0.00 H new ATOM 0 HE1 PHE A 62 2.053 -1.324 -1.728 1.00 0.00 H new ATOM 0 HE2 PHE A 62 3.817 -5.105 -2.774 1.00 0.00 H new ATOM 0 HZ PHE A 62 1.890 -3.537 -2.850 1.00 0.00 H new ATOM 929 N ALA A 63 8.198 -2.889 2.580 1.00 0.00 N ATOM 930 CA ALA A 63 9.496 -3.041 3.225 1.00 0.00 C ATOM 931 C ALA A 63 10.608 -3.382 2.234 1.00 0.00 C ATOM 932 O ALA A 63 11.772 -3.116 2.529 1.00 0.00 O ATOM 933 CB ALA A 63 9.430 -4.203 4.225 1.00 0.00 C ATOM 0 H ALA A 63 7.551 -3.644 2.810 1.00 0.00 H new ATOM 0 HA ALA A 63 9.720 -2.087 3.703 1.00 0.00 H new ATOM 0 HB1 ALA A 63 10.399 -4.321 4.710 1.00 0.00 H new ATOM 0 HB2 ALA A 63 8.670 -3.993 4.978 1.00 0.00 H new ATOM 0 HB3 ALA A 63 9.174 -5.122 3.698 1.00 0.00 H new ATOM 939 N GLY A 64 10.258 -3.943 1.075 1.00 0.00 N ATOM 940 CA GLY A 64 11.219 -4.353 0.064 1.00 0.00 C ATOM 941 C GLY A 64 11.608 -5.810 0.308 1.00 0.00 C ATOM 942 O GLY A 64 11.122 -6.449 1.246 1.00 0.00 O ATOM 0 H GLY A 64 9.289 -4.125 0.815 1.00 0.00 H new ATOM 0 HA2 GLY A 64 10.789 -4.240 -0.931 1.00 0.00 H new ATOM 0 HA3 GLY A 64 12.102 -3.716 0.104 1.00 0.00 H new TER 946 GLY A 64