USER MOD reduce.3.24.130724 H: found=0, std=0, add=522, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 524 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ -140:sc= 1.01 (180deg=-1.08!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 ASN : amide:sc= -0.422 K(o=-0.42,f=-1.6) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 107 HIS : no HD1:sc= -0.422 K(o=-0.42,f=-2.4) USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot 93:sc= 1.26 USER MOD Single : A 111 ASN : amide:sc= -0.116 X(o=-0.12,f=-0.54) USER MOD Single : A 115 LYS NZ :NH3+ -161:sc= -0.0944 (180deg=-0.547) USER MOD Single : A 117 THR OG1 : rot 180:sc= -0.175 USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 135 GLN : amide:sc= -6.97! C(o=-7!,f=-4.7!) USER MOD Single : A 137 ASN : amide:sc= -4.18! K(o=-4.2!,f=-1.6) USER MOD Single : A 138 TYR OH : rot -175:sc= 0.487 USER MOD Single : A 143 LYS NZ :NH3+ -150:sc= -0.165 (180deg=-0.86) USER MOD Single : A 145 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 146 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 148 LYS NZ :NH3+ -162:sc= -0.0329 (180deg=-0.383) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 80 -19.978 -2.422 0.164 1.00 0.00 N ATOM 2 CA ASP A 80 -19.933 -3.795 -0.417 1.00 0.00 C ATOM 3 C ASP A 80 -18.502 -4.118 -0.841 1.00 0.00 C ATOM 4 O ASP A 80 -17.602 -4.212 -0.002 1.00 0.00 O ATOM 5 CB ASP A 80 -20.871 -3.865 -1.624 1.00 0.00 C ATOM 6 CG ASP A 80 -20.545 -2.741 -2.602 1.00 0.00 C ATOM 7 OD1 ASP A 80 -20.358 -1.624 -2.149 1.00 0.00 O ATOM 8 OD2 ASP A 80 -20.487 -3.015 -3.789 1.00 0.00 O ATOM 0 HA ASP A 80 -20.256 -4.524 0.327 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -20.769 -4.831 -2.119 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -21.907 -3.784 -1.295 1.00 0.00 H new ATOM 15 N SER A 81 -18.290 -4.289 -2.144 1.00 0.00 N ATOM 16 CA SER A 81 -16.958 -4.602 -2.646 1.00 0.00 C ATOM 17 C SER A 81 -15.985 -3.491 -2.277 1.00 0.00 C ATOM 18 O SER A 81 -14.885 -3.751 -1.789 1.00 0.00 O ATOM 19 CB SER A 81 -16.998 -4.756 -4.166 1.00 0.00 C ATOM 20 OG SER A 81 -17.847 -5.844 -4.506 1.00 0.00 O ATOM 0 H SER A 81 -19.013 -4.217 -2.860 1.00 0.00 H new ATOM 0 HA SER A 81 -16.625 -5.536 -2.194 1.00 0.00 H new ATOM 0 HB2 SER A 81 -17.362 -3.838 -4.627 1.00 0.00 H new ATOM 0 HB3 SER A 81 -15.993 -4.929 -4.552 1.00 0.00 H new ATOM 0 HG SER A 81 -17.876 -5.944 -5.480 1.00 0.00 H new ATOM 26 N GLU A 82 -16.390 -2.251 -2.524 1.00 0.00 N ATOM 27 CA GLU A 82 -15.540 -1.108 -2.225 1.00 0.00 C ATOM 28 C GLU A 82 -15.186 -1.081 -0.742 1.00 0.00 C ATOM 29 O GLU A 82 -14.067 -0.729 -0.370 1.00 0.00 O ATOM 30 CB GLU A 82 -16.261 0.186 -2.603 1.00 0.00 C ATOM 31 CG GLU A 82 -15.267 1.347 -2.601 1.00 0.00 C ATOM 32 CD GLU A 82 -14.359 1.263 -3.824 1.00 0.00 C ATOM 33 OE1 GLU A 82 -14.728 0.585 -4.768 1.00 0.00 O ATOM 34 OE2 GLU A 82 -13.307 1.881 -3.798 1.00 0.00 O ATOM 0 H GLU A 82 -17.296 -2.013 -2.928 1.00 0.00 H new ATOM 0 HA GLU A 82 -14.621 -1.196 -2.805 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -16.716 0.086 -3.588 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -17.068 0.384 -1.897 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -15.804 2.296 -2.602 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -14.668 1.321 -1.691 1.00 0.00 H new ATOM 41 N GLU A 83 -16.143 -1.457 0.102 1.00 0.00 N ATOM 42 CA GLU A 83 -15.908 -1.473 1.539 1.00 0.00 C ATOM 43 C GLU A 83 -14.805 -2.475 1.874 1.00 0.00 C ATOM 44 O GLU A 83 -13.956 -2.221 2.730 1.00 0.00 O ATOM 45 CB GLU A 83 -17.197 -1.859 2.269 1.00 0.00 C ATOM 46 CG GLU A 83 -18.256 -0.775 2.051 1.00 0.00 C ATOM 47 CD GLU A 83 -17.828 0.526 2.722 1.00 0.00 C ATOM 48 OE1 GLU A 83 -17.508 0.486 3.898 1.00 0.00 O ATOM 49 OE2 GLU A 83 -17.827 1.544 2.048 1.00 0.00 O ATOM 0 H GLU A 83 -17.078 -1.751 -0.182 1.00 0.00 H new ATOM 0 HA GLU A 83 -15.596 -0.479 1.861 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -17.562 -2.818 1.900 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -17.001 -1.981 3.334 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -18.403 -0.610 0.984 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -19.212 -1.104 2.458 1.00 0.00 H new ATOM 56 N GLU A 84 -14.817 -3.607 1.179 1.00 0.00 N ATOM 57 CA GLU A 84 -13.810 -4.638 1.391 1.00 0.00 C ATOM 58 C GLU A 84 -12.435 -4.118 0.971 1.00 0.00 C ATOM 59 O GLU A 84 -11.452 -4.267 1.694 1.00 0.00 O ATOM 60 CB GLU A 84 -14.209 -5.888 0.581 1.00 0.00 C ATOM 61 CG GLU A 84 -12.981 -6.723 0.201 1.00 0.00 C ATOM 62 CD GLU A 84 -12.173 -7.062 1.448 1.00 0.00 C ATOM 63 OE1 GLU A 84 -12.753 -7.066 2.523 1.00 0.00 O ATOM 64 OE2 GLU A 84 -10.987 -7.307 1.313 1.00 0.00 O ATOM 0 H GLU A 84 -15.511 -3.833 0.466 1.00 0.00 H new ATOM 0 HA GLU A 84 -13.753 -4.903 2.447 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -14.899 -6.497 1.165 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -14.738 -5.585 -0.322 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -13.295 -7.639 -0.299 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -12.361 -6.171 -0.505 1.00 0.00 H new ATOM 71 N LEU A 85 -12.378 -3.515 -0.206 1.00 0.00 N ATOM 72 CA LEU A 85 -11.119 -2.983 -0.714 1.00 0.00 C ATOM 73 C LEU A 85 -10.547 -1.975 0.272 1.00 0.00 C ATOM 74 O LEU A 85 -9.358 -1.998 0.587 1.00 0.00 O ATOM 75 CB LEU A 85 -11.360 -2.301 -2.064 1.00 0.00 C ATOM 76 CG LEU A 85 -10.070 -1.675 -2.594 1.00 0.00 C ATOM 77 CD1 LEU A 85 -8.960 -2.734 -2.697 1.00 0.00 C ATOM 78 CD2 LEU A 85 -10.341 -1.083 -3.980 1.00 0.00 C ATOM 0 H LEU A 85 -13.179 -3.381 -0.824 1.00 0.00 H new ATOM 0 HA LEU A 85 -10.409 -3.801 -0.840 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -11.738 -3.029 -2.782 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -12.125 -1.532 -1.957 1.00 0.00 H new ATOM 0 HG LEU A 85 -9.742 -0.894 -1.908 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -8.049 -2.271 -3.076 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -8.769 -3.158 -1.711 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -9.274 -3.526 -3.377 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -9.427 -0.633 -4.369 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -10.672 -1.873 -4.655 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -11.117 -0.321 -3.905 1.00 0.00 H new ATOM 90 N LYS A 86 -11.412 -1.104 0.766 1.00 0.00 N ATOM 91 CA LYS A 86 -11.003 -0.093 1.733 1.00 0.00 C ATOM 92 C LYS A 86 -10.541 -0.747 3.030 1.00 0.00 C ATOM 93 O LYS A 86 -9.643 -0.241 3.699 1.00 0.00 O ATOM 94 CB LYS A 86 -12.152 0.880 1.990 1.00 0.00 C ATOM 95 CG LYS A 86 -12.311 1.782 0.765 1.00 0.00 C ATOM 96 CD LYS A 86 -13.512 2.711 0.948 1.00 0.00 C ATOM 97 CE LYS A 86 -13.579 3.695 -0.224 1.00 0.00 C ATOM 98 NZ LYS A 86 -12.543 4.752 -0.044 1.00 0.00 N ATOM 0 H LYS A 86 -12.400 -1.075 0.515 1.00 0.00 H new ATOM 0 HA LYS A 86 -10.162 0.467 1.323 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -13.076 0.333 2.179 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -11.949 1.479 2.877 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -11.406 2.371 0.617 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -12.445 1.173 -0.129 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -14.432 2.128 1.001 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -13.425 3.255 1.889 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -13.417 3.169 -1.165 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -14.570 4.147 -0.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -12.935 5.674 -0.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -12.254 4.788 0.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -11.717 4.533 -0.636 1.00 0.00 H new ATOM 112 N GLU A 87 -11.121 -1.899 3.363 1.00 0.00 N ATOM 113 CA GLU A 87 -10.706 -2.606 4.554 1.00 0.00 C ATOM 114 C GLU A 87 -9.256 -3.034 4.364 1.00 0.00 C ATOM 115 O GLU A 87 -8.417 -2.866 5.251 1.00 0.00 O ATOM 116 CB GLU A 87 -11.593 -3.829 4.776 1.00 0.00 C ATOM 117 CG GLU A 87 -11.254 -4.434 6.125 1.00 0.00 C ATOM 118 CD GLU A 87 -12.135 -5.649 6.397 1.00 0.00 C ATOM 119 OE1 GLU A 87 -11.844 -6.700 5.851 1.00 0.00 O ATOM 120 OE2 GLU A 87 -13.085 -5.510 7.147 1.00 0.00 O ATOM 0 H GLU A 87 -11.865 -2.349 2.830 1.00 0.00 H new ATOM 0 HA GLU A 87 -10.797 -1.961 5.428 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -12.645 -3.545 4.742 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -11.435 -4.560 3.983 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -10.204 -4.726 6.147 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -11.395 -3.691 6.910 1.00 0.00 H new ATOM 127 N ALA A 88 -8.975 -3.566 3.178 1.00 0.00 N ATOM 128 CA ALA A 88 -7.626 -3.998 2.839 1.00 0.00 C ATOM 129 C ALA A 88 -6.681 -2.805 2.923 1.00 0.00 C ATOM 130 O ALA A 88 -5.575 -2.906 3.449 1.00 0.00 O ATOM 131 CB ALA A 88 -7.606 -4.578 1.424 1.00 0.00 C ATOM 0 H ALA A 88 -9.663 -3.707 2.438 1.00 0.00 H new ATOM 0 HA ALA A 88 -7.304 -4.768 3.540 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -6.594 -4.899 1.177 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -8.281 -5.432 1.371 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -7.929 -3.816 0.714 1.00 0.00 H new ATOM 137 N PHE A 89 -7.139 -1.670 2.416 1.00 0.00 N ATOM 138 CA PHE A 89 -6.345 -0.451 2.453 1.00 0.00 C ATOM 139 C PHE A 89 -6.032 -0.067 3.901 1.00 0.00 C ATOM 140 O PHE A 89 -4.894 0.265 4.233 1.00 0.00 O ATOM 141 CB PHE A 89 -7.107 0.667 1.754 1.00 0.00 C ATOM 142 CG PHE A 89 -6.389 1.970 1.966 1.00 0.00 C ATOM 143 CD1 PHE A 89 -5.303 2.310 1.157 1.00 0.00 C ATOM 144 CD2 PHE A 89 -6.808 2.825 2.985 1.00 0.00 C ATOM 145 CE1 PHE A 89 -4.629 3.514 1.373 1.00 0.00 C ATOM 146 CE2 PHE A 89 -6.137 4.031 3.200 1.00 0.00 C ATOM 147 CZ PHE A 89 -5.045 4.375 2.395 1.00 0.00 C ATOM 0 H PHE A 89 -8.053 -1.568 1.975 1.00 0.00 H new ATOM 0 HA PHE A 89 -5.400 -0.616 1.935 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -7.190 0.454 0.688 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -8.122 0.731 2.146 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -4.986 1.645 0.368 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -7.649 2.555 3.606 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -3.787 3.781 0.752 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -6.460 4.697 3.986 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.523 5.305 2.563 1.00 0.00 H new ATOM 157 N ARG A 90 -7.046 -0.130 4.758 1.00 0.00 N ATOM 158 CA ARG A 90 -6.882 0.195 6.159 1.00 0.00 C ATOM 159 C ARG A 90 -5.887 -0.754 6.822 1.00 0.00 C ATOM 160 O ARG A 90 -5.127 -0.357 7.706 1.00 0.00 O ATOM 161 CB ARG A 90 -8.233 0.101 6.844 1.00 0.00 C ATOM 162 CG ARG A 90 -9.110 1.286 6.433 1.00 0.00 C ATOM 163 CD ARG A 90 -10.506 1.104 7.023 1.00 0.00 C ATOM 164 NE ARG A 90 -10.424 1.049 8.480 1.00 0.00 N ATOM 165 CZ ARG A 90 -10.476 2.154 9.220 1.00 0.00 C ATOM 166 NH1 ARG A 90 -11.547 2.899 9.206 1.00 0.00 N ATOM 167 NH2 ARG A 90 -9.455 2.493 9.957 1.00 0.00 N ATOM 0 H ARG A 90 -7.993 -0.406 4.499 1.00 0.00 H new ATOM 0 HA ARG A 90 -6.490 1.208 6.251 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -8.722 -0.835 6.575 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -8.102 0.093 7.926 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -8.671 2.219 6.787 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -9.167 1.352 5.347 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -11.150 1.928 6.717 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -10.956 0.188 6.640 1.00 0.00 H new ATOM 0 HE ARG A 90 -10.325 0.144 8.940 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -12.345 2.635 8.628 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -11.587 3.746 9.773 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -8.617 1.911 9.966 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -9.494 3.340 10.524 1.00 0.00 H new ATOM 181 N VAL A 91 -5.875 -2.002 6.365 1.00 0.00 N ATOM 182 CA VAL A 91 -4.944 -2.994 6.897 1.00 0.00 C ATOM 183 C VAL A 91 -3.512 -2.611 6.521 1.00 0.00 C ATOM 184 O VAL A 91 -2.596 -2.693 7.339 1.00 0.00 O ATOM 185 CB VAL A 91 -5.274 -4.384 6.326 1.00 0.00 C ATOM 186 CG1 VAL A 91 -4.146 -5.371 6.648 1.00 0.00 C ATOM 187 CG2 VAL A 91 -6.581 -4.892 6.939 1.00 0.00 C ATOM 0 H VAL A 91 -6.494 -2.350 5.633 1.00 0.00 H new ATOM 0 HA VAL A 91 -5.038 -3.023 7.983 1.00 0.00 H new ATOM 0 HB VAL A 91 -5.380 -4.304 5.244 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.392 -6.351 6.238 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.215 -5.016 6.206 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -4.028 -5.449 7.729 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -6.814 -5.877 6.534 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -6.473 -4.961 8.021 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -7.389 -4.200 6.699 1.00 0.00 H new ATOM 197 N PHE A 92 -3.340 -2.207 5.266 1.00 0.00 N ATOM 198 CA PHE A 92 -2.027 -1.824 4.749 1.00 0.00 C ATOM 199 C PHE A 92 -1.461 -0.590 5.452 1.00 0.00 C ATOM 200 O PHE A 92 -0.256 -0.507 5.694 1.00 0.00 O ATOM 201 CB PHE A 92 -2.128 -1.517 3.246 1.00 0.00 C ATOM 202 CG PHE A 92 -2.193 -2.796 2.435 1.00 0.00 C ATOM 203 CD1 PHE A 92 -1.109 -3.682 2.436 1.00 0.00 C ATOM 204 CD2 PHE A 92 -3.327 -3.088 1.669 1.00 0.00 C ATOM 205 CE1 PHE A 92 -1.164 -4.855 1.675 1.00 0.00 C ATOM 206 CE2 PHE A 92 -3.383 -4.253 0.908 1.00 0.00 C ATOM 207 CZ PHE A 92 -2.302 -5.141 0.909 1.00 0.00 C ATOM 0 H PHE A 92 -4.096 -2.136 4.585 1.00 0.00 H new ATOM 0 HA PHE A 92 -1.358 -2.664 4.934 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -3.015 -0.914 3.053 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -1.267 -0.927 2.933 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -0.231 -3.460 3.024 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -4.164 -2.406 1.668 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -0.329 -5.540 1.678 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -4.261 -4.471 0.317 1.00 0.00 H new ATOM 0 HZ PHE A 92 -2.344 -6.045 0.320 1.00 0.00 H new ATOM 217 N ASP A 93 -2.318 0.383 5.736 1.00 0.00 N ATOM 218 CA ASP A 93 -1.865 1.629 6.362 1.00 0.00 C ATOM 219 C ASP A 93 -1.814 1.519 7.885 1.00 0.00 C ATOM 220 O ASP A 93 -2.765 1.888 8.576 1.00 0.00 O ATOM 221 CB ASP A 93 -2.806 2.772 5.957 1.00 0.00 C ATOM 222 CG ASP A 93 -2.134 4.129 6.170 1.00 0.00 C ATOM 223 OD1 ASP A 93 -0.927 4.158 6.356 1.00 0.00 O ATOM 224 OD2 ASP A 93 -2.839 5.125 6.135 1.00 0.00 O ATOM 0 H ASP A 93 -3.320 0.340 5.548 1.00 0.00 H new ATOM 0 HA ASP A 93 -0.852 1.831 6.013 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -3.090 2.662 4.910 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -3.723 2.719 6.543 1.00 0.00 H new ATOM 229 N LYS A 94 -0.693 1.020 8.400 1.00 0.00 N ATOM 230 CA LYS A 94 -0.525 0.883 9.846 1.00 0.00 C ATOM 231 C LYS A 94 -0.539 2.257 10.510 1.00 0.00 C ATOM 232 O LYS A 94 -1.225 2.468 11.510 1.00 0.00 O ATOM 233 CB LYS A 94 0.806 0.189 10.160 1.00 0.00 C ATOM 234 CG LYS A 94 0.762 -1.294 9.756 1.00 0.00 C ATOM 235 CD LYS A 94 0.100 -2.129 10.862 1.00 0.00 C ATOM 236 CE LYS A 94 0.101 -3.604 10.458 1.00 0.00 C ATOM 237 NZ LYS A 94 -0.540 -4.411 11.534 1.00 0.00 N ATOM 0 H LYS A 94 0.104 0.707 7.846 1.00 0.00 H new ATOM 0 HA LYS A 94 -1.349 0.283 10.233 1.00 0.00 H new ATOM 0 HB2 LYS A 94 1.616 0.690 9.630 1.00 0.00 H new ATOM 0 HB3 LYS A 94 1.022 0.273 11.225 1.00 0.00 H new ATOM 0 HG2 LYS A 94 0.208 -1.408 8.824 1.00 0.00 H new ATOM 0 HG3 LYS A 94 1.773 -1.658 9.572 1.00 0.00 H new ATOM 0 HD2 LYS A 94 0.637 -1.998 11.802 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -0.922 -1.787 11.028 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -0.437 -3.736 9.519 1.00 0.00 H new ATOM 0 HE3 LYS A 94 1.122 -3.946 10.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -0.541 -5.415 11.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -0.008 -4.293 12.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -1.519 -4.089 11.673 1.00 0.00 H new ATOM 251 N ASP A 95 0.229 3.189 9.951 1.00 0.00 N ATOM 252 CA ASP A 95 0.304 4.541 10.501 1.00 0.00 C ATOM 253 C ASP A 95 -1.063 5.217 10.411 1.00 0.00 C ATOM 254 O ASP A 95 -1.447 5.994 11.282 1.00 0.00 O ATOM 255 CB ASP A 95 1.337 5.361 9.727 1.00 0.00 C ATOM 256 CG ASP A 95 2.611 4.543 9.538 1.00 0.00 C ATOM 257 OD1 ASP A 95 3.005 3.870 10.476 1.00 0.00 O ATOM 258 OD2 ASP A 95 3.170 4.598 8.453 1.00 0.00 O ATOM 0 H ASP A 95 0.805 3.035 9.123 1.00 0.00 H new ATOM 0 HA ASP A 95 0.605 4.481 11.547 1.00 0.00 H new ATOM 0 HB2 ASP A 95 0.932 5.650 8.757 1.00 0.00 H new ATOM 0 HB3 ASP A 95 1.562 6.282 10.266 1.00 0.00 H new ATOM 263 N GLN A 96 -1.792 4.883 9.356 1.00 0.00 N ATOM 264 CA GLN A 96 -3.134 5.427 9.154 1.00 0.00 C ATOM 265 C GLN A 96 -3.085 6.915 8.792 1.00 0.00 C ATOM 266 O GLN A 96 -3.881 7.703 9.299 1.00 0.00 O ATOM 267 CB GLN A 96 -3.952 5.245 10.453 1.00 0.00 C ATOM 268 CG GLN A 96 -5.472 5.114 10.154 1.00 0.00 C ATOM 269 CD GLN A 96 -5.939 3.676 10.330 1.00 0.00 C ATOM 270 OE1 GLN A 96 -6.568 3.346 11.330 1.00 0.00 O ATOM 271 NE2 GLN A 96 -5.658 2.806 9.411 1.00 0.00 N ATOM 0 H GLN A 96 -1.481 4.241 8.627 1.00 0.00 H new ATOM 0 HA GLN A 96 -3.602 4.891 8.328 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -3.606 4.356 10.981 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -3.782 6.095 11.114 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -6.035 5.767 10.820 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -5.676 5.445 9.136 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -5.134 3.090 8.583 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -5.960 1.838 9.516 1.00 0.00 H new ATOM 280 N ASN A 97 -2.163 7.301 7.919 1.00 0.00 N ATOM 281 CA ASN A 97 -2.052 8.704 7.519 1.00 0.00 C ATOM 282 C ASN A 97 -2.828 8.936 6.230 1.00 0.00 C ATOM 283 O ASN A 97 -2.779 10.015 5.642 1.00 0.00 O ATOM 284 CB ASN A 97 -0.583 9.062 7.326 1.00 0.00 C ATOM 285 CG ASN A 97 0.182 8.710 8.596 1.00 0.00 C ATOM 286 OD1 ASN A 97 1.269 8.135 8.527 1.00 0.00 O ATOM 287 ND2 ASN A 97 -0.333 9.011 9.760 1.00 0.00 N ATOM 0 H ASN A 97 -1.489 6.675 7.478 1.00 0.00 H new ATOM 0 HA ASN A 97 -2.473 9.340 8.298 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -0.171 8.519 6.475 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -0.480 10.125 7.106 1.00 0.00 H new ATOM 0 HD21 ASN A 97 0.166 8.770 10.616 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -1.234 9.487 9.811 1.00 0.00 H new ATOM 294 N GLY A 98 -3.547 7.902 5.803 1.00 0.00 N ATOM 295 CA GLY A 98 -4.339 7.978 4.583 1.00 0.00 C ATOM 296 C GLY A 98 -3.494 7.581 3.385 1.00 0.00 C ATOM 297 O GLY A 98 -3.990 7.509 2.261 1.00 0.00 O ATOM 0 H GLY A 98 -3.597 7.004 6.284 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -5.205 7.320 4.661 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -4.719 8.991 4.450 1.00 0.00 H new ATOM 301 N PHE A 99 -2.205 7.335 3.633 1.00 0.00 N ATOM 302 CA PHE A 99 -1.275 6.949 2.571 1.00 0.00 C ATOM 303 C PHE A 99 -0.465 5.730 3.003 1.00 0.00 C ATOM 304 O PHE A 99 0.056 5.690 4.117 1.00 0.00 O ATOM 305 CB PHE A 99 -0.301 8.100 2.284 1.00 0.00 C ATOM 306 CG PHE A 99 -1.039 9.419 2.283 1.00 0.00 C ATOM 307 CD1 PHE A 99 -2.194 9.572 1.513 1.00 0.00 C ATOM 308 CD2 PHE A 99 -0.565 10.489 3.053 1.00 0.00 C ATOM 309 CE1 PHE A 99 -2.880 10.783 1.509 1.00 0.00 C ATOM 310 CE2 PHE A 99 -1.251 11.710 3.052 1.00 0.00 C ATOM 311 CZ PHE A 99 -2.413 11.858 2.279 1.00 0.00 C ATOM 0 H PHE A 99 -1.783 7.396 4.559 1.00 0.00 H new ATOM 0 HA PHE A 99 -1.852 6.715 1.676 1.00 0.00 H new ATOM 0 HB2 PHE A 99 0.487 8.116 3.037 1.00 0.00 H new ATOM 0 HB3 PHE A 99 0.183 7.945 1.320 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -2.557 8.747 0.918 1.00 0.00 H new ATOM 0 HD2 PHE A 99 0.329 10.372 3.647 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -3.773 10.895 0.912 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -0.887 12.536 3.645 1.00 0.00 H new ATOM 0 HZ PHE A 99 -2.946 12.797 2.277 1.00 0.00 H new ATOM 321 N ILE A 100 -0.329 4.755 2.111 1.00 0.00 N ATOM 322 CA ILE A 100 0.461 3.572 2.423 1.00 0.00 C ATOM 323 C ILE A 100 1.921 3.871 2.119 1.00 0.00 C ATOM 324 O ILE A 100 2.255 4.382 1.052 1.00 0.00 O ATOM 325 CB ILE A 100 -0.009 2.362 1.612 1.00 0.00 C ATOM 326 CG1 ILE A 100 -1.450 2.033 2.000 1.00 0.00 C ATOM 327 CG2 ILE A 100 0.884 1.159 1.924 1.00 0.00 C ATOM 328 CD1 ILE A 100 -2.042 1.048 0.991 1.00 0.00 C ATOM 0 H ILE A 100 -0.748 4.759 1.181 1.00 0.00 H new ATOM 0 HA ILE A 100 0.338 3.328 3.478 1.00 0.00 H new ATOM 0 HB ILE A 100 0.047 2.589 0.547 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -1.478 1.604 3.002 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -2.047 2.945 2.027 1.00 0.00 H new ATOM 0 HG21 ILE A 100 0.549 0.298 1.346 1.00 0.00 H new ATOM 0 HG22 ILE A 100 1.915 1.394 1.661 1.00 0.00 H new ATOM 0 HG23 ILE A 100 0.825 0.928 2.988 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -3.070 0.815 1.270 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -2.028 1.494 -0.004 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -1.451 0.132 0.987 1.00 0.00 H new ATOM 340 N SER A 101 2.781 3.563 3.076 1.00 0.00 N ATOM 341 CA SER A 101 4.214 3.813 2.927 1.00 0.00 C ATOM 342 C SER A 101 4.959 2.508 2.720 1.00 0.00 C ATOM 343 O SER A 101 4.510 1.451 3.163 1.00 0.00 O ATOM 344 CB SER A 101 4.751 4.511 4.175 1.00 0.00 C ATOM 345 OG SER A 101 6.099 4.903 3.950 1.00 0.00 O ATOM 0 H SER A 101 2.517 3.140 3.966 1.00 0.00 H new ATOM 0 HA SER A 101 4.367 4.452 2.057 1.00 0.00 H new ATOM 0 HB2 SER A 101 4.141 5.383 4.409 1.00 0.00 H new ATOM 0 HB3 SER A 101 4.693 3.842 5.033 1.00 0.00 H new ATOM 0 HG SER A 101 6.446 5.353 4.748 1.00 0.00 H new ATOM 351 N ALA A 102 6.111 2.582 2.061 1.00 0.00 N ATOM 352 CA ALA A 102 6.902 1.385 1.838 1.00 0.00 C ATOM 353 C ALA A 102 7.163 0.735 3.183 1.00 0.00 C ATOM 354 O ALA A 102 7.123 -0.488 3.322 1.00 0.00 O ATOM 355 CB ALA A 102 8.227 1.743 1.162 1.00 0.00 C ATOM 0 H ALA A 102 6.508 3.441 1.680 1.00 0.00 H new ATOM 0 HA ALA A 102 6.364 0.698 1.185 1.00 0.00 H new ATOM 0 HB1 ALA A 102 8.810 0.836 1.001 1.00 0.00 H new ATOM 0 HB2 ALA A 102 8.029 2.222 0.203 1.00 0.00 H new ATOM 0 HB3 ALA A 102 8.788 2.426 1.800 1.00 0.00 H new ATOM 361 N ALA A 103 7.402 1.578 4.182 1.00 0.00 N ATOM 362 CA ALA A 103 7.638 1.102 5.534 1.00 0.00 C ATOM 363 C ALA A 103 6.438 0.289 6.005 1.00 0.00 C ATOM 364 O ALA A 103 6.587 -0.825 6.504 1.00 0.00 O ATOM 365 CB ALA A 103 7.844 2.297 6.468 1.00 0.00 C ATOM 0 H ALA A 103 7.437 2.592 4.078 1.00 0.00 H new ATOM 0 HA ALA A 103 8.529 0.474 5.547 1.00 0.00 H new ATOM 0 HB1 ALA A 103 8.021 1.940 7.482 1.00 0.00 H new ATOM 0 HB2 ALA A 103 8.704 2.877 6.132 1.00 0.00 H new ATOM 0 HB3 ALA A 103 6.954 2.926 6.455 1.00 0.00 H new ATOM 371 N GLU A 104 5.246 0.851 5.821 1.00 0.00 N ATOM 372 CA GLU A 104 4.029 0.172 6.208 1.00 0.00 C ATOM 373 C GLU A 104 3.868 -1.100 5.390 1.00 0.00 C ATOM 374 O GLU A 104 3.488 -2.146 5.911 1.00 0.00 O ATOM 375 CB GLU A 104 2.836 1.092 5.967 1.00 0.00 C ATOM 376 CG GLU A 104 2.855 2.245 6.971 1.00 0.00 C ATOM 377 CD GLU A 104 1.699 3.197 6.686 1.00 0.00 C ATOM 378 OE1 GLU A 104 1.507 3.534 5.530 1.00 0.00 O ATOM 379 OE2 GLU A 104 1.023 3.576 7.629 1.00 0.00 O ATOM 0 H GLU A 104 5.105 1.772 5.407 1.00 0.00 H new ATOM 0 HA GLU A 104 4.080 -0.087 7.266 1.00 0.00 H new ATOM 0 HB2 GLU A 104 2.867 1.483 4.950 1.00 0.00 H new ATOM 0 HB3 GLU A 104 1.907 0.530 6.064 1.00 0.00 H new ATOM 0 HG2 GLU A 104 2.776 1.856 7.986 1.00 0.00 H new ATOM 0 HG3 GLU A 104 3.803 2.780 6.907 1.00 0.00 H new ATOM 386 N LEU A 105 4.172 -0.999 4.103 1.00 0.00 N ATOM 387 CA LEU A 105 4.072 -2.144 3.212 1.00 0.00 C ATOM 388 C LEU A 105 5.055 -3.227 3.657 1.00 0.00 C ATOM 389 O LEU A 105 4.749 -4.419 3.624 1.00 0.00 O ATOM 390 CB LEU A 105 4.380 -1.703 1.770 1.00 0.00 C ATOM 391 CG LEU A 105 3.743 -2.678 0.759 1.00 0.00 C ATOM 392 CD1 LEU A 105 2.269 -2.313 0.522 1.00 0.00 C ATOM 393 CD2 LEU A 105 4.494 -2.603 -0.575 1.00 0.00 C ATOM 0 H LEU A 105 4.489 -0.139 3.655 1.00 0.00 H new ATOM 0 HA LEU A 105 3.061 -2.549 3.249 1.00 0.00 H new ATOM 0 HB2 LEU A 105 3.999 -0.696 1.602 1.00 0.00 H new ATOM 0 HB3 LEU A 105 5.459 -1.665 1.618 1.00 0.00 H new ATOM 0 HG LEU A 105 3.805 -3.688 1.165 1.00 0.00 H new ATOM 0 HD11 LEU A 105 1.832 -3.010 -0.194 1.00 0.00 H new ATOM 0 HD12 LEU A 105 1.724 -2.371 1.464 1.00 0.00 H new ATOM 0 HD13 LEU A 105 2.204 -1.299 0.127 1.00 0.00 H new ATOM 0 HD21 LEU A 105 4.041 -3.293 -1.287 1.00 0.00 H new ATOM 0 HD22 LEU A 105 4.437 -1.588 -0.968 1.00 0.00 H new ATOM 0 HD23 LEU A 105 5.538 -2.875 -0.420 1.00 0.00 H new ATOM 405 N ARG A 106 6.236 -2.787 4.083 1.00 0.00 N ATOM 406 CA ARG A 106 7.268 -3.708 4.549 1.00 0.00 C ATOM 407 C ARG A 106 6.793 -4.447 5.800 1.00 0.00 C ATOM 408 O ARG A 106 6.956 -5.662 5.919 1.00 0.00 O ATOM 409 CB ARG A 106 8.557 -2.943 4.878 1.00 0.00 C ATOM 410 CG ARG A 106 9.728 -3.935 5.052 1.00 0.00 C ATOM 411 CD ARG A 106 10.411 -4.177 3.701 1.00 0.00 C ATOM 412 NE ARG A 106 11.307 -5.331 3.779 1.00 0.00 N ATOM 413 CZ ARG A 106 12.578 -5.204 4.150 1.00 0.00 C ATOM 414 NH1 ARG A 106 12.885 -4.500 5.206 1.00 0.00 N ATOM 415 NH2 ARG A 106 13.522 -5.784 3.459 1.00 0.00 N ATOM 0 H ARG A 106 6.501 -1.803 4.115 1.00 0.00 H new ATOM 0 HA ARG A 106 7.466 -4.427 3.754 1.00 0.00 H new ATOM 0 HB2 ARG A 106 8.784 -2.236 4.080 1.00 0.00 H new ATOM 0 HB3 ARG A 106 8.423 -2.362 5.790 1.00 0.00 H new ATOM 0 HG2 ARG A 106 10.448 -3.539 5.768 1.00 0.00 H new ATOM 0 HG3 ARG A 106 9.361 -4.878 5.458 1.00 0.00 H new ATOM 0 HD2 ARG A 106 9.658 -4.345 2.931 1.00 0.00 H new ATOM 0 HD3 ARG A 106 10.974 -3.291 3.408 1.00 0.00 H new ATOM 0 HE ARG A 106 10.948 -6.256 3.543 1.00 0.00 H new ATOM 0 HH11 ARG A 106 12.150 -4.046 5.748 1.00 0.00 H new ATOM 0 HH12 ARG A 106 13.860 -4.404 5.489 1.00 0.00 H new ATOM 0 HH21 ARG A 106 13.285 -6.335 2.634 1.00 0.00 H new ATOM 0 HH22 ARG A 106 14.496 -5.686 3.744 1.00 0.00 H new ATOM 429 N HIS A 107 6.211 -3.695 6.730 1.00 0.00 N ATOM 430 CA HIS A 107 5.717 -4.266 7.981 1.00 0.00 C ATOM 431 C HIS A 107 4.551 -5.220 7.728 1.00 0.00 C ATOM 432 O HIS A 107 4.479 -6.299 8.314 1.00 0.00 O ATOM 433 CB HIS A 107 5.266 -3.140 8.913 1.00 0.00 C ATOM 434 CG HIS A 107 4.838 -3.717 10.234 1.00 0.00 C ATOM 435 ND1 HIS A 107 3.558 -3.545 10.734 1.00 0.00 N ATOM 436 CD2 HIS A 107 5.512 -4.461 11.170 1.00 0.00 C ATOM 437 CE1 HIS A 107 3.501 -4.173 11.923 1.00 0.00 C ATOM 438 NE2 HIS A 107 4.665 -4.749 12.236 1.00 0.00 N ATOM 0 H HIS A 107 6.070 -2.689 6.642 1.00 0.00 H new ATOM 0 HA HIS A 107 6.526 -4.831 8.444 1.00 0.00 H new ATOM 0 HB2 HIS A 107 6.080 -2.430 9.062 1.00 0.00 H new ATOM 0 HB3 HIS A 107 4.441 -2.589 8.461 1.00 0.00 H new ATOM 0 HD2 HIS A 107 6.542 -4.775 11.091 1.00 0.00 H new ATOM 0 HE1 HIS A 107 2.621 -4.207 12.548 1.00 0.00 H new ATOM 0 HE2 HIS A 107 4.885 -5.285 13.076 1.00 0.00 H new ATOM 446 N VAL A 108 3.643 -4.811 6.853 1.00 0.00 N ATOM 447 CA VAL A 108 2.483 -5.632 6.523 1.00 0.00 C ATOM 448 C VAL A 108 2.938 -6.929 5.858 1.00 0.00 C ATOM 449 O VAL A 108 2.448 -8.014 6.178 1.00 0.00 O ATOM 450 CB VAL A 108 1.548 -4.840 5.601 1.00 0.00 C ATOM 451 CG1 VAL A 108 0.360 -5.716 5.180 1.00 0.00 C ATOM 452 CG2 VAL A 108 1.035 -3.584 6.339 1.00 0.00 C ATOM 0 H VAL A 108 3.685 -3.919 6.360 1.00 0.00 H new ATOM 0 HA VAL A 108 1.941 -5.890 7.433 1.00 0.00 H new ATOM 0 HB VAL A 108 2.098 -4.537 4.710 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -0.299 -5.145 4.525 1.00 0.00 H new ATOM 0 HG12 VAL A 108 0.726 -6.595 4.650 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -0.192 -6.030 6.066 1.00 0.00 H new ATOM 0 HG21 VAL A 108 0.371 -3.022 5.682 1.00 0.00 H new ATOM 0 HG22 VAL A 108 0.491 -3.885 7.234 1.00 0.00 H new ATOM 0 HG23 VAL A 108 1.881 -2.957 6.622 1.00 0.00 H new ATOM 462 N MET A 109 3.902 -6.809 4.950 1.00 0.00 N ATOM 463 CA MET A 109 4.450 -7.971 4.262 1.00 0.00 C ATOM 464 C MET A 109 5.199 -8.860 5.258 1.00 0.00 C ATOM 465 O MET A 109 5.233 -10.082 5.119 1.00 0.00 O ATOM 466 CB MET A 109 5.397 -7.514 3.142 1.00 0.00 C ATOM 467 CG MET A 109 4.582 -7.097 1.909 1.00 0.00 C ATOM 468 SD MET A 109 4.072 -8.572 0.992 1.00 0.00 S ATOM 469 CE MET A 109 2.815 -7.773 -0.036 1.00 0.00 C ATOM 0 H MET A 109 4.319 -5.920 4.675 1.00 0.00 H new ATOM 0 HA MET A 109 3.635 -8.545 3.822 1.00 0.00 H new ATOM 0 HB2 MET A 109 6.006 -6.678 3.487 1.00 0.00 H new ATOM 0 HB3 MET A 109 6.082 -8.321 2.881 1.00 0.00 H new ATOM 0 HG2 MET A 109 3.706 -6.526 2.216 1.00 0.00 H new ATOM 0 HG3 MET A 109 5.178 -6.447 1.269 1.00 0.00 H new ATOM 0 HE1 MET A 109 2.360 -8.513 -0.694 1.00 0.00 H new ATOM 0 HE2 MET A 109 2.048 -7.334 0.602 1.00 0.00 H new ATOM 0 HE3 MET A 109 3.279 -6.990 -0.636 1.00 0.00 H new ATOM 479 N THR A 110 5.780 -8.229 6.275 1.00 0.00 N ATOM 480 CA THR A 110 6.507 -8.964 7.311 1.00 0.00 C ATOM 481 C THR A 110 5.537 -9.816 8.130 1.00 0.00 C ATOM 482 O THR A 110 5.805 -10.981 8.419 1.00 0.00 O ATOM 483 CB THR A 110 7.257 -7.994 8.227 1.00 0.00 C ATOM 484 OG1 THR A 110 8.188 -7.249 7.456 1.00 0.00 O ATOM 485 CG2 THR A 110 8.002 -8.782 9.305 1.00 0.00 C ATOM 0 H THR A 110 5.763 -7.218 6.405 1.00 0.00 H new ATOM 0 HA THR A 110 7.233 -9.619 6.829 1.00 0.00 H new ATOM 0 HB THR A 110 6.548 -7.316 8.701 1.00 0.00 H new ATOM 0 HG1 THR A 110 7.774 -6.410 7.164 1.00 0.00 H new ATOM 0 HG21 THR A 110 8.536 -8.091 9.957 1.00 0.00 H new ATOM 0 HG22 THR A 110 7.288 -9.358 9.894 1.00 0.00 H new ATOM 0 HG23 THR A 110 8.714 -9.460 8.834 1.00 0.00 H new ATOM 493 N ASN A 111 4.399 -9.222 8.483 1.00 0.00 N ATOM 494 CA ASN A 111 3.370 -9.922 9.250 1.00 0.00 C ATOM 495 C ASN A 111 2.851 -11.097 8.437 1.00 0.00 C ATOM 496 O ASN A 111 2.498 -12.149 8.973 1.00 0.00 O ATOM 497 CB ASN A 111 2.212 -8.966 9.551 1.00 0.00 C ATOM 498 CG ASN A 111 1.074 -9.716 10.237 1.00 0.00 C ATOM 499 OD1 ASN A 111 0.247 -10.336 9.568 1.00 0.00 O ATOM 500 ND2 ASN A 111 0.982 -9.695 11.538 1.00 0.00 N ATOM 0 H ASN A 111 4.166 -8.257 8.250 1.00 0.00 H new ATOM 0 HA ASN A 111 3.797 -10.280 10.187 1.00 0.00 H new ATOM 0 HB2 ASN A 111 2.558 -8.153 10.189 1.00 0.00 H new ATOM 0 HB3 ASN A 111 1.854 -8.514 8.626 1.00 0.00 H new ATOM 0 HD21 ASN A 111 0.223 -10.193 12.004 1.00 0.00 H new ATOM 0 HD22 ASN A 111 1.669 -9.181 12.090 1.00 0.00 H new ATOM 507 N LEU A 112 2.807 -10.881 7.136 1.00 0.00 N ATOM 508 CA LEU A 112 2.330 -11.873 6.185 1.00 0.00 C ATOM 509 C LEU A 112 3.173 -13.148 6.281 1.00 0.00 C ATOM 510 O LEU A 112 2.661 -14.266 6.218 1.00 0.00 O ATOM 511 CB LEU A 112 2.501 -11.256 4.780 1.00 0.00 C ATOM 512 CG LEU A 112 1.475 -11.773 3.749 1.00 0.00 C ATOM 513 CD1 LEU A 112 1.204 -13.276 3.892 1.00 0.00 C ATOM 514 CD2 LEU A 112 0.166 -10.991 3.895 1.00 0.00 C ATOM 0 H LEU A 112 3.103 -10.006 6.704 1.00 0.00 H new ATOM 0 HA LEU A 112 1.292 -12.134 6.388 1.00 0.00 H new ATOM 0 HB2 LEU A 112 2.413 -10.172 4.855 1.00 0.00 H new ATOM 0 HB3 LEU A 112 3.507 -11.470 4.418 1.00 0.00 H new ATOM 0 HG LEU A 112 1.900 -11.617 2.757 1.00 0.00 H new ATOM 0 HD11 LEU A 112 0.476 -13.587 3.143 1.00 0.00 H new ATOM 0 HD12 LEU A 112 2.132 -13.829 3.747 1.00 0.00 H new ATOM 0 HD13 LEU A 112 0.811 -13.482 4.888 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -0.559 -11.356 3.167 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -0.230 -11.128 4.901 1.00 0.00 H new ATOM 0 HD23 LEU A 112 0.354 -9.932 3.721 1.00 0.00 H new ATOM 526 N GLY A 113 4.478 -12.948 6.393 1.00 0.00 N ATOM 527 CA GLY A 113 5.426 -14.055 6.439 1.00 0.00 C ATOM 528 C GLY A 113 6.038 -14.201 5.056 1.00 0.00 C ATOM 529 O GLY A 113 6.521 -15.265 4.668 1.00 0.00 O ATOM 0 H GLY A 113 4.908 -12.025 6.454 1.00 0.00 H new ATOM 0 HA2 GLY A 113 6.201 -13.864 7.181 1.00 0.00 H new ATOM 0 HA3 GLY A 113 4.923 -14.976 6.733 1.00 0.00 H new ATOM 533 N GLU A 114 6.044 -13.077 4.342 1.00 0.00 N ATOM 534 CA GLU A 114 6.626 -12.992 3.010 1.00 0.00 C ATOM 535 C GLU A 114 7.996 -12.339 3.125 1.00 0.00 C ATOM 536 O GLU A 114 8.185 -11.448 3.951 1.00 0.00 O ATOM 537 CB GLU A 114 5.730 -12.157 2.105 1.00 0.00 C ATOM 538 CG GLU A 114 4.430 -12.914 1.848 1.00 0.00 C ATOM 539 CD GLU A 114 4.697 -14.145 0.988 1.00 0.00 C ATOM 540 OE1 GLU A 114 5.711 -14.162 0.311 1.00 0.00 O ATOM 541 OE2 GLU A 114 3.879 -15.051 1.016 1.00 0.00 O ATOM 0 H GLU A 114 5.644 -12.200 4.674 1.00 0.00 H new ATOM 0 HA GLU A 114 6.721 -13.989 2.580 1.00 0.00 H new ATOM 0 HB2 GLU A 114 5.518 -11.195 2.571 1.00 0.00 H new ATOM 0 HB3 GLU A 114 6.237 -11.950 1.162 1.00 0.00 H new ATOM 0 HG2 GLU A 114 3.982 -13.214 2.795 1.00 0.00 H new ATOM 0 HG3 GLU A 114 3.714 -12.262 1.349 1.00 0.00 H new ATOM 548 N LYS A 115 8.951 -12.782 2.312 1.00 0.00 N ATOM 549 CA LYS A 115 10.307 -12.223 2.358 1.00 0.00 C ATOM 550 C LYS A 115 10.659 -11.517 1.056 1.00 0.00 C ATOM 551 O LYS A 115 11.346 -12.073 0.198 1.00 0.00 O ATOM 552 CB LYS A 115 11.319 -13.337 2.632 1.00 0.00 C ATOM 553 CG LYS A 115 11.170 -13.809 4.082 1.00 0.00 C ATOM 554 CD LYS A 115 12.171 -14.930 4.362 1.00 0.00 C ATOM 555 CE LYS A 115 11.975 -15.447 5.789 1.00 0.00 C ATOM 556 NZ LYS A 115 12.203 -14.336 6.757 1.00 0.00 N ATOM 0 H LYS A 115 8.818 -13.518 1.619 1.00 0.00 H new ATOM 0 HA LYS A 115 10.343 -11.489 3.163 1.00 0.00 H new ATOM 0 HB2 LYS A 115 11.155 -14.169 1.948 1.00 0.00 H new ATOM 0 HB3 LYS A 115 12.332 -12.975 2.457 1.00 0.00 H new ATOM 0 HG2 LYS A 115 11.340 -12.977 4.765 1.00 0.00 H new ATOM 0 HG3 LYS A 115 10.154 -14.163 4.257 1.00 0.00 H new ATOM 0 HD2 LYS A 115 12.033 -15.742 3.648 1.00 0.00 H new ATOM 0 HD3 LYS A 115 13.189 -14.563 4.234 1.00 0.00 H new ATOM 0 HE2 LYS A 115 10.967 -15.845 5.907 1.00 0.00 H new ATOM 0 HE3 LYS A 115 12.667 -16.265 5.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 12.390 -14.731 7.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 13.020 -13.771 6.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 11.358 -13.731 6.796 1.00 0.00 H new ATOM 570 N LEU A 116 10.199 -10.275 0.928 1.00 0.00 N ATOM 571 CA LEU A 116 10.480 -9.473 -0.257 1.00 0.00 C ATOM 572 C LEU A 116 11.793 -8.723 -0.075 1.00 0.00 C ATOM 573 O LEU A 116 12.315 -8.620 1.035 1.00 0.00 O ATOM 574 CB LEU A 116 9.356 -8.452 -0.494 1.00 0.00 C ATOM 575 CG LEU A 116 8.155 -9.124 -1.156 1.00 0.00 C ATOM 576 CD1 LEU A 116 7.591 -10.211 -0.234 1.00 0.00 C ATOM 577 CD2 LEU A 116 7.081 -8.065 -1.422 1.00 0.00 C ATOM 0 H LEU A 116 9.630 -9.803 1.631 1.00 0.00 H new ATOM 0 HA LEU A 116 10.548 -10.142 -1.115 1.00 0.00 H new ATOM 0 HB2 LEU A 116 9.054 -8.007 0.454 1.00 0.00 H new ATOM 0 HB3 LEU A 116 9.720 -7.641 -1.125 1.00 0.00 H new ATOM 0 HG LEU A 116 8.463 -9.584 -2.095 1.00 0.00 H new ATOM 0 HD11 LEU A 116 6.735 -10.686 -0.713 1.00 0.00 H new ATOM 0 HD12 LEU A 116 8.360 -10.959 -0.041 1.00 0.00 H new ATOM 0 HD13 LEU A 116 7.277 -9.762 0.708 1.00 0.00 H new ATOM 0 HD21 LEU A 116 6.218 -8.533 -1.895 1.00 0.00 H new ATOM 0 HD22 LEU A 116 6.776 -7.611 -0.479 1.00 0.00 H new ATOM 0 HD23 LEU A 116 7.484 -7.296 -2.082 1.00 0.00 H new ATOM 589 N THR A 117 12.309 -8.184 -1.173 1.00 0.00 N ATOM 590 CA THR A 117 13.552 -7.418 -1.145 1.00 0.00 C ATOM 591 C THR A 117 13.249 -5.939 -1.334 1.00 0.00 C ATOM 592 O THR A 117 12.115 -5.561 -1.627 1.00 0.00 O ATOM 593 CB THR A 117 14.492 -7.903 -2.248 1.00 0.00 C ATOM 594 OG1 THR A 117 15.765 -7.295 -2.085 1.00 0.00 O ATOM 595 CG2 THR A 117 13.921 -7.531 -3.611 1.00 0.00 C ATOM 0 H THR A 117 11.885 -8.263 -2.097 1.00 0.00 H new ATOM 0 HA THR A 117 14.037 -7.563 -0.180 1.00 0.00 H new ATOM 0 HB THR A 117 14.594 -8.986 -2.185 1.00 0.00 H new ATOM 0 HG1 THR A 117 16.369 -7.607 -2.791 1.00 0.00 H new ATOM 0 HG21 THR A 117 14.594 -7.879 -4.395 1.00 0.00 H new ATOM 0 HG22 THR A 117 12.945 -8.000 -3.737 1.00 0.00 H new ATOM 0 HG23 THR A 117 13.815 -6.448 -3.678 1.00 0.00 H new ATOM 603 N ASP A 118 14.263 -5.107 -1.168 1.00 0.00 N ATOM 604 CA ASP A 118 14.087 -3.673 -1.330 1.00 0.00 C ATOM 605 C ASP A 118 13.667 -3.355 -2.762 1.00 0.00 C ATOM 606 O ASP A 118 12.850 -2.464 -2.997 1.00 0.00 O ATOM 607 CB ASP A 118 15.398 -2.953 -1.004 1.00 0.00 C ATOM 608 CG ASP A 118 15.229 -1.448 -1.175 1.00 0.00 C ATOM 609 OD1 ASP A 118 14.447 -0.871 -0.440 1.00 0.00 O ATOM 610 OD2 ASP A 118 15.887 -0.894 -2.041 1.00 0.00 O ATOM 0 H ASP A 118 15.210 -5.396 -0.923 1.00 0.00 H new ATOM 0 HA ASP A 118 13.308 -3.332 -0.649 1.00 0.00 H new ATOM 0 HB2 ASP A 118 15.701 -3.178 0.019 1.00 0.00 H new ATOM 0 HB3 ASP A 118 16.192 -3.314 -1.658 1.00 0.00 H new ATOM 615 N GLU A 119 14.250 -4.078 -3.715 1.00 0.00 N ATOM 616 CA GLU A 119 13.958 -3.859 -5.128 1.00 0.00 C ATOM 617 C GLU A 119 12.507 -4.201 -5.478 1.00 0.00 C ATOM 618 O GLU A 119 11.857 -3.453 -6.208 1.00 0.00 O ATOM 619 CB GLU A 119 14.902 -4.708 -5.979 1.00 0.00 C ATOM 620 CG GLU A 119 14.722 -4.350 -7.454 1.00 0.00 C ATOM 621 CD GLU A 119 15.700 -5.153 -8.303 1.00 0.00 C ATOM 622 OE1 GLU A 119 16.290 -6.080 -7.775 1.00 0.00 O ATOM 623 OE2 GLU A 119 15.847 -4.827 -9.470 1.00 0.00 O ATOM 0 H GLU A 119 14.927 -4.820 -3.534 1.00 0.00 H new ATOM 0 HA GLU A 119 14.106 -2.799 -5.337 1.00 0.00 H new ATOM 0 HB2 GLU A 119 15.935 -4.537 -5.676 1.00 0.00 H new ATOM 0 HB3 GLU A 119 14.696 -5.767 -5.823 1.00 0.00 H new ATOM 0 HG2 GLU A 119 13.699 -4.559 -7.766 1.00 0.00 H new ATOM 0 HG3 GLU A 119 14.889 -3.283 -7.602 1.00 0.00 H new ATOM 630 N GLU A 120 11.985 -5.307 -4.948 1.00 0.00 N ATOM 631 CA GLU A 120 10.599 -5.668 -5.226 1.00 0.00 C ATOM 632 C GLU A 120 9.697 -4.636 -4.584 1.00 0.00 C ATOM 633 O GLU A 120 8.751 -4.142 -5.197 1.00 0.00 O ATOM 634 CB GLU A 120 10.274 -7.054 -4.665 1.00 0.00 C ATOM 635 CG GLU A 120 10.914 -8.123 -5.552 1.00 0.00 C ATOM 636 CD GLU A 120 10.139 -8.250 -6.860 1.00 0.00 C ATOM 637 OE1 GLU A 120 8.936 -8.440 -6.796 1.00 0.00 O ATOM 638 OE2 GLU A 120 10.762 -8.160 -7.905 1.00 0.00 O ATOM 0 H GLU A 120 12.487 -5.953 -4.339 1.00 0.00 H new ATOM 0 HA GLU A 120 10.443 -5.694 -6.305 1.00 0.00 H new ATOM 0 HB2 GLU A 120 10.646 -7.142 -3.644 1.00 0.00 H new ATOM 0 HB3 GLU A 120 9.194 -7.198 -4.624 1.00 0.00 H new ATOM 0 HG2 GLU A 120 11.952 -7.862 -5.759 1.00 0.00 H new ATOM 0 HG3 GLU A 120 10.924 -9.081 -5.031 1.00 0.00 H new ATOM 645 N VAL A 121 10.011 -4.315 -3.336 1.00 0.00 N ATOM 646 CA VAL A 121 9.240 -3.336 -2.588 1.00 0.00 C ATOM 647 C VAL A 121 9.276 -1.985 -3.304 1.00 0.00 C ATOM 648 O VAL A 121 8.240 -1.360 -3.521 1.00 0.00 O ATOM 649 CB VAL A 121 9.849 -3.206 -1.186 1.00 0.00 C ATOM 650 CG1 VAL A 121 9.242 -2.013 -0.445 1.00 0.00 C ATOM 651 CG2 VAL A 121 9.581 -4.489 -0.395 1.00 0.00 C ATOM 0 H VAL A 121 10.794 -4.719 -2.822 1.00 0.00 H new ATOM 0 HA VAL A 121 8.201 -3.658 -2.513 1.00 0.00 H new ATOM 0 HB VAL A 121 10.923 -3.047 -1.283 1.00 0.00 H new ATOM 0 HG11 VAL A 121 9.686 -1.937 0.547 1.00 0.00 H new ATOM 0 HG12 VAL A 121 9.442 -1.098 -1.003 1.00 0.00 H new ATOM 0 HG13 VAL A 121 8.165 -2.153 -0.351 1.00 0.00 H new ATOM 0 HG21 VAL A 121 10.013 -4.399 0.602 1.00 0.00 H new ATOM 0 HG22 VAL A 121 8.506 -4.647 -0.312 1.00 0.00 H new ATOM 0 HG23 VAL A 121 10.033 -5.336 -0.911 1.00 0.00 H new ATOM 661 N ASP A 122 10.472 -1.550 -3.676 1.00 0.00 N ATOM 662 CA ASP A 122 10.630 -0.281 -4.376 1.00 0.00 C ATOM 663 C ASP A 122 9.949 -0.326 -5.742 1.00 0.00 C ATOM 664 O ASP A 122 9.215 0.591 -6.109 1.00 0.00 O ATOM 665 CB ASP A 122 12.116 0.033 -4.553 1.00 0.00 C ATOM 666 CG ASP A 122 12.729 0.419 -3.210 1.00 0.00 C ATOM 667 OD1 ASP A 122 11.977 0.613 -2.270 1.00 0.00 O ATOM 668 OD2 ASP A 122 13.944 0.512 -3.143 1.00 0.00 O ATOM 0 H ASP A 122 11.343 -2.053 -3.506 1.00 0.00 H new ATOM 0 HA ASP A 122 10.160 0.501 -3.779 1.00 0.00 H new ATOM 0 HB2 ASP A 122 12.634 -0.834 -4.963 1.00 0.00 H new ATOM 0 HB3 ASP A 122 12.242 0.847 -5.267 1.00 0.00 H new ATOM 673 N GLU A 123 10.207 -1.391 -6.499 1.00 0.00 N ATOM 674 CA GLU A 123 9.627 -1.532 -7.831 1.00 0.00 C ATOM 675 C GLU A 123 8.107 -1.474 -7.764 1.00 0.00 C ATOM 676 O GLU A 123 7.466 -0.803 -8.573 1.00 0.00 O ATOM 677 CB GLU A 123 10.063 -2.865 -8.449 1.00 0.00 C ATOM 678 CG GLU A 123 9.536 -2.968 -9.883 1.00 0.00 C ATOM 679 CD GLU A 123 10.013 -4.270 -10.520 1.00 0.00 C ATOM 680 OE1 GLU A 123 10.905 -4.887 -9.961 1.00 0.00 O ATOM 681 OE2 GLU A 123 9.479 -4.632 -11.555 1.00 0.00 O ATOM 0 H GLU A 123 10.810 -2.163 -6.214 1.00 0.00 H new ATOM 0 HA GLU A 123 9.982 -0.709 -8.451 1.00 0.00 H new ATOM 0 HB2 GLU A 123 11.150 -2.940 -8.445 1.00 0.00 H new ATOM 0 HB3 GLU A 123 9.684 -3.695 -7.852 1.00 0.00 H new ATOM 0 HG2 GLU A 123 8.447 -2.931 -9.883 1.00 0.00 H new ATOM 0 HG3 GLU A 123 9.884 -2.117 -10.469 1.00 0.00 H new ATOM 688 N MET A 124 7.535 -2.162 -6.784 1.00 0.00 N ATOM 689 CA MET A 124 6.090 -2.163 -6.608 1.00 0.00 C ATOM 690 C MET A 124 5.605 -0.771 -6.222 1.00 0.00 C ATOM 691 O MET A 124 4.609 -0.271 -6.744 1.00 0.00 O ATOM 692 CB MET A 124 5.727 -3.163 -5.510 1.00 0.00 C ATOM 693 CG MET A 124 4.236 -3.082 -5.192 1.00 0.00 C ATOM 694 SD MET A 124 3.726 -4.605 -4.355 1.00 0.00 S ATOM 695 CE MET A 124 2.103 -4.038 -3.793 1.00 0.00 C ATOM 0 H MET A 124 8.047 -2.723 -6.103 1.00 0.00 H new ATOM 0 HA MET A 124 5.609 -2.449 -7.544 1.00 0.00 H new ATOM 0 HB2 MET A 124 5.983 -4.173 -5.829 1.00 0.00 H new ATOM 0 HB3 MET A 124 6.309 -2.955 -4.612 1.00 0.00 H new ATOM 0 HG2 MET A 124 4.033 -2.219 -4.559 1.00 0.00 H new ATOM 0 HG3 MET A 124 3.663 -2.947 -6.109 1.00 0.00 H new ATOM 0 HE1 MET A 124 1.608 -4.839 -3.244 1.00 0.00 H new ATOM 0 HE2 MET A 124 2.225 -3.173 -3.142 1.00 0.00 H new ATOM 0 HE3 MET A 124 1.496 -3.760 -4.655 1.00 0.00 H new ATOM 705 N ILE A 125 6.339 -0.162 -5.306 1.00 0.00 N ATOM 706 CA ILE A 125 6.027 1.182 -4.826 1.00 0.00 C ATOM 707 C ILE A 125 6.235 2.230 -5.927 1.00 0.00 C ATOM 708 O ILE A 125 5.397 3.111 -6.118 1.00 0.00 O ATOM 709 CB ILE A 125 6.910 1.477 -3.600 1.00 0.00 C ATOM 710 CG1 ILE A 125 6.380 0.695 -2.376 1.00 0.00 C ATOM 711 CG2 ILE A 125 6.959 2.978 -3.293 1.00 0.00 C ATOM 712 CD1 ILE A 125 4.960 1.150 -1.976 1.00 0.00 C ATOM 0 H ILE A 125 7.164 -0.578 -4.874 1.00 0.00 H new ATOM 0 HA ILE A 125 4.976 1.234 -4.541 1.00 0.00 H new ATOM 0 HB ILE A 125 7.926 1.153 -3.825 1.00 0.00 H new ATOM 0 HG12 ILE A 125 6.370 -0.371 -2.602 1.00 0.00 H new ATOM 0 HG13 ILE A 125 7.057 0.835 -1.534 1.00 0.00 H new ATOM 0 HG21 ILE A 125 7.591 3.151 -2.422 1.00 0.00 H new ATOM 0 HG22 ILE A 125 7.369 3.512 -4.150 1.00 0.00 H new ATOM 0 HG23 ILE A 125 5.952 3.341 -3.088 1.00 0.00 H new ATOM 0 HD11 ILE A 125 4.624 0.576 -1.112 1.00 0.00 H new ATOM 0 HD12 ILE A 125 4.975 2.210 -1.724 1.00 0.00 H new ATOM 0 HD13 ILE A 125 4.277 0.985 -2.809 1.00 0.00 H new ATOM 724 N ARG A 126 7.345 2.125 -6.651 1.00 0.00 N ATOM 725 CA ARG A 126 7.631 3.066 -7.732 1.00 0.00 C ATOM 726 C ARG A 126 6.625 2.883 -8.862 1.00 0.00 C ATOM 727 O ARG A 126 6.215 3.841 -9.512 1.00 0.00 O ATOM 728 CB ARG A 126 9.053 2.865 -8.267 1.00 0.00 C ATOM 729 CG ARG A 126 9.355 3.934 -9.323 1.00 0.00 C ATOM 730 CD ARG A 126 10.795 3.787 -9.816 1.00 0.00 C ATOM 731 NE ARG A 126 11.131 4.884 -10.720 1.00 0.00 N ATOM 732 CZ ARG A 126 11.584 6.047 -10.257 1.00 0.00 C ATOM 733 NH1 ARG A 126 12.627 6.077 -9.474 1.00 0.00 N ATOM 734 NH2 ARG A 126 10.982 7.159 -10.584 1.00 0.00 N ATOM 0 H ARG A 126 8.055 1.406 -6.512 1.00 0.00 H new ATOM 0 HA ARG A 126 7.550 4.078 -7.335 1.00 0.00 H new ATOM 0 HB2 ARG A 126 9.773 2.930 -7.451 1.00 0.00 H new ATOM 0 HB3 ARG A 126 9.153 1.870 -8.701 1.00 0.00 H new ATOM 0 HG2 ARG A 126 8.663 3.837 -10.160 1.00 0.00 H new ATOM 0 HG3 ARG A 126 9.206 4.928 -8.900 1.00 0.00 H new ATOM 0 HD2 ARG A 126 11.479 3.782 -8.968 1.00 0.00 H new ATOM 0 HD3 ARG A 126 10.916 2.833 -10.329 1.00 0.00 H new ATOM 0 HE ARG A 126 11.016 4.756 -11.725 1.00 0.00 H new ATOM 0 HH11 ARG A 126 13.096 5.209 -9.216 1.00 0.00 H new ATOM 0 HH12 ARG A 126 12.973 6.969 -9.120 1.00 0.00 H new ATOM 0 HH21 ARG A 126 10.165 7.136 -11.194 1.00 0.00 H new ATOM 0 HH22 ARG A 126 11.329 8.050 -10.229 1.00 0.00 H new ATOM 748 N GLU A 127 6.230 1.634 -9.076 1.00 0.00 N ATOM 749 CA GLU A 127 5.262 1.306 -10.114 1.00 0.00 C ATOM 750 C GLU A 127 3.864 1.782 -9.713 1.00 0.00 C ATOM 751 O GLU A 127 3.156 2.400 -10.509 1.00 0.00 O ATOM 752 CB GLU A 127 5.255 -0.207 -10.338 1.00 0.00 C ATOM 753 CG GLU A 127 4.296 -0.565 -11.474 1.00 0.00 C ATOM 754 CD GLU A 127 4.343 -2.067 -11.730 1.00 0.00 C ATOM 755 OE1 GLU A 127 4.919 -2.769 -10.915 1.00 0.00 O ATOM 756 OE2 GLU A 127 3.801 -2.496 -12.736 1.00 0.00 O ATOM 0 H GLU A 127 6.566 0.831 -8.544 1.00 0.00 H new ATOM 0 HA GLU A 127 5.545 1.811 -11.038 1.00 0.00 H new ATOM 0 HB2 GLU A 127 6.261 -0.552 -10.578 1.00 0.00 H new ATOM 0 HB3 GLU A 127 4.954 -0.717 -9.423 1.00 0.00 H new ATOM 0 HG2 GLU A 127 3.281 -0.262 -11.216 1.00 0.00 H new ATOM 0 HG3 GLU A 127 4.570 -0.023 -12.379 1.00 0.00 H new ATOM 763 N ALA A 128 3.480 1.492 -8.469 1.00 0.00 N ATOM 764 CA ALA A 128 2.165 1.896 -7.963 1.00 0.00 C ATOM 765 C ALA A 128 2.141 3.391 -7.688 1.00 0.00 C ATOM 766 O ALA A 128 1.083 4.020 -7.728 1.00 0.00 O ATOM 767 CB ALA A 128 1.814 1.121 -6.690 1.00 0.00 C ATOM 0 H ALA A 128 4.055 0.983 -7.797 1.00 0.00 H new ATOM 0 HA ALA A 128 1.420 1.666 -8.725 1.00 0.00 H new ATOM 0 HB1 ALA A 128 0.834 1.436 -6.331 1.00 0.00 H new ATOM 0 HB2 ALA A 128 1.795 0.053 -6.908 1.00 0.00 H new ATOM 0 HB3 ALA A 128 2.563 1.321 -5.924 1.00 0.00 H new ATOM 773 N ASP A 129 3.317 3.968 -7.471 1.00 0.00 N ATOM 774 CA ASP A 129 3.436 5.401 -7.261 1.00 0.00 C ATOM 775 C ASP A 129 3.808 6.028 -8.584 1.00 0.00 C ATOM 776 O ASP A 129 4.829 5.669 -9.169 1.00 0.00 O ATOM 777 CB ASP A 129 4.551 5.730 -6.257 1.00 0.00 C ATOM 778 CG ASP A 129 4.521 7.217 -5.904 1.00 0.00 C ATOM 779 OD1 ASP A 129 3.542 7.867 -6.229 1.00 0.00 O ATOM 780 OD2 ASP A 129 5.489 7.689 -5.324 1.00 0.00 O ATOM 0 H ASP A 129 4.202 3.462 -7.436 1.00 0.00 H new ATOM 0 HA ASP A 129 2.491 5.780 -6.872 1.00 0.00 H new ATOM 0 HB2 ASP A 129 4.426 5.132 -5.354 1.00 0.00 H new ATOM 0 HB3 ASP A 129 5.521 5.469 -6.681 1.00 0.00 H new ATOM 785 N VAL A 130 3.022 6.979 -9.033 1.00 0.00 N ATOM 786 CA VAL A 130 3.317 7.687 -10.260 1.00 0.00 C ATOM 787 C VAL A 130 3.176 9.199 -9.981 1.00 0.00 C ATOM 788 O VAL A 130 3.658 10.012 -10.771 1.00 0.00 O ATOM 789 CB VAL A 130 2.410 7.192 -11.392 1.00 0.00 C ATOM 790 CG1 VAL A 130 1.101 6.655 -10.765 1.00 0.00 C ATOM 791 CG2 VAL A 130 2.188 8.336 -12.405 1.00 0.00 C ATOM 0 H VAL A 130 2.168 7.282 -8.565 1.00 0.00 H new ATOM 0 HA VAL A 130 4.337 7.495 -10.594 1.00 0.00 H new ATOM 0 HB VAL A 130 2.865 6.373 -11.949 1.00 0.00 H new ATOM 0 HG11 VAL A 130 0.440 6.297 -11.554 1.00 0.00 H new ATOM 0 HG12 VAL A 130 1.333 5.835 -10.086 1.00 0.00 H new ATOM 0 HG13 VAL A 130 0.607 7.455 -10.213 1.00 0.00 H new ATOM 0 HG21 VAL A 130 1.543 7.988 -13.212 1.00 0.00 H new ATOM 0 HG22 VAL A 130 1.716 9.180 -11.903 1.00 0.00 H new ATOM 0 HG23 VAL A 130 3.148 8.649 -12.817 1.00 0.00 H new ATOM 801 N ASP A 131 2.601 9.554 -8.802 1.00 0.00 N ATOM 802 CA ASP A 131 2.529 10.981 -8.382 1.00 0.00 C ATOM 803 C ASP A 131 3.866 11.266 -7.721 1.00 0.00 C ATOM 804 O ASP A 131 4.203 12.402 -7.376 1.00 0.00 O ATOM 805 CB ASP A 131 1.421 11.311 -7.340 1.00 0.00 C ATOM 806 CG ASP A 131 0.024 11.041 -7.882 1.00 0.00 C ATOM 807 OD1 ASP A 131 -0.288 11.557 -8.942 1.00 0.00 O ATOM 808 OD2 ASP A 131 -0.721 10.342 -7.215 1.00 0.00 O ATOM 0 H ASP A 131 2.191 8.894 -8.141 1.00 0.00 H new ATOM 0 HA ASP A 131 2.297 11.579 -9.263 1.00 0.00 H new ATOM 0 HB2 ASP A 131 1.581 10.716 -6.441 1.00 0.00 H new ATOM 0 HB3 ASP A 131 1.500 12.358 -7.048 1.00 0.00 H new ATOM 813 N GLY A 132 4.608 10.170 -7.558 1.00 0.00 N ATOM 814 CA GLY A 132 5.937 10.182 -6.957 1.00 0.00 C ATOM 815 C GLY A 132 5.913 10.619 -5.497 1.00 0.00 C ATOM 816 O GLY A 132 6.951 10.676 -4.838 1.00 0.00 O ATOM 0 H GLY A 132 4.298 9.241 -7.843 1.00 0.00 H new ATOM 0 HA2 GLY A 132 6.373 9.186 -7.028 1.00 0.00 H new ATOM 0 HA3 GLY A 132 6.582 10.853 -7.523 1.00 0.00 H new ATOM 820 N ASP A 133 4.728 10.935 -5.000 1.00 0.00 N ATOM 821 CA ASP A 133 4.582 11.374 -3.617 1.00 0.00 C ATOM 822 C ASP A 133 5.419 10.506 -2.676 1.00 0.00 C ATOM 823 O ASP A 133 5.817 10.953 -1.600 1.00 0.00 O ATOM 824 CB ASP A 133 3.111 11.321 -3.206 1.00 0.00 C ATOM 825 CG ASP A 133 2.560 9.916 -3.421 1.00 0.00 C ATOM 826 OD1 ASP A 133 3.281 9.094 -3.962 1.00 0.00 O ATOM 827 OD2 ASP A 133 1.424 9.684 -3.044 1.00 0.00 O ATOM 0 H ASP A 133 3.856 10.897 -5.528 1.00 0.00 H new ATOM 0 HA ASP A 133 4.940 12.401 -3.544 1.00 0.00 H new ATOM 0 HB2 ASP A 133 3.007 11.605 -2.159 1.00 0.00 H new ATOM 0 HB3 ASP A 133 2.536 12.039 -3.790 1.00 0.00 H new ATOM 832 N GLY A 134 5.687 9.267 -3.088 1.00 0.00 N ATOM 833 CA GLY A 134 6.481 8.340 -2.274 1.00 0.00 C ATOM 834 C GLY A 134 5.576 7.442 -1.441 1.00 0.00 C ATOM 835 O GLY A 134 6.047 6.583 -0.695 1.00 0.00 O ATOM 0 H GLY A 134 5.368 8.881 -3.977 1.00 0.00 H new ATOM 0 HA2 GLY A 134 7.112 7.730 -2.920 1.00 0.00 H new ATOM 0 HA3 GLY A 134 7.146 8.902 -1.619 1.00 0.00 H new ATOM 839 N GLN A 135 4.273 7.638 -1.593 1.00 0.00 N ATOM 840 CA GLN A 135 3.281 6.842 -0.879 1.00 0.00 C ATOM 841 C GLN A 135 2.119 6.533 -1.805 1.00 0.00 C ATOM 842 O GLN A 135 1.868 7.263 -2.764 1.00 0.00 O ATOM 843 CB GLN A 135 2.751 7.602 0.340 1.00 0.00 C ATOM 844 CG GLN A 135 3.911 8.210 1.126 1.00 0.00 C ATOM 845 CD GLN A 135 4.403 9.481 0.444 1.00 0.00 C ATOM 846 OE1 GLN A 135 5.608 9.723 0.386 1.00 0.00 O ATOM 847 NE2 GLN A 135 3.540 10.310 -0.075 1.00 0.00 N ATOM 0 H GLN A 135 3.875 8.347 -2.209 1.00 0.00 H new ATOM 0 HA GLN A 135 3.756 5.920 -0.545 1.00 0.00 H new ATOM 0 HB2 GLN A 135 2.068 8.388 0.019 1.00 0.00 H new ATOM 0 HB3 GLN A 135 2.182 6.927 0.980 1.00 0.00 H new ATOM 0 HG2 GLN A 135 3.591 8.435 2.143 1.00 0.00 H new ATOM 0 HG3 GLN A 135 4.726 7.490 1.200 1.00 0.00 H new ATOM 0 HE21 GLN A 135 2.542 10.105 -0.025 1.00 0.00 H new ATOM 0 HE22 GLN A 135 3.863 11.163 -0.531 1.00 0.00 H new ATOM 856 N ILE A 136 1.399 5.461 -1.506 1.00 0.00 N ATOM 857 CA ILE A 136 0.248 5.082 -2.310 1.00 0.00 C ATOM 858 C ILE A 136 -1.013 5.582 -1.623 1.00 0.00 C ATOM 859 O ILE A 136 -1.363 5.129 -0.535 1.00 0.00 O ATOM 860 CB ILE A 136 0.218 3.544 -2.482 1.00 0.00 C ATOM 861 CG1 ILE A 136 1.068 3.136 -3.693 1.00 0.00 C ATOM 862 CG2 ILE A 136 -1.215 3.042 -2.685 1.00 0.00 C ATOM 863 CD1 ILE A 136 2.508 3.613 -3.493 1.00 0.00 C ATOM 0 H ILE A 136 1.590 4.843 -0.718 1.00 0.00 H new ATOM 0 HA ILE A 136 0.311 5.530 -3.301 1.00 0.00 H new ATOM 0 HB ILE A 136 0.623 3.096 -1.575 1.00 0.00 H new ATOM 0 HG12 ILE A 136 1.047 2.053 -3.817 1.00 0.00 H new ATOM 0 HG13 ILE A 136 0.654 3.569 -4.603 1.00 0.00 H new ATOM 0 HG21 ILE A 136 -1.208 1.958 -2.803 1.00 0.00 H new ATOM 0 HG22 ILE A 136 -1.820 3.308 -1.818 1.00 0.00 H new ATOM 0 HG23 ILE A 136 -1.638 3.502 -3.578 1.00 0.00 H new ATOM 0 HD11 ILE A 136 3.110 3.323 -4.354 1.00 0.00 H new ATOM 0 HD12 ILE A 136 2.521 4.698 -3.391 1.00 0.00 H new ATOM 0 HD13 ILE A 136 2.920 3.159 -2.592 1.00 0.00 H new ATOM 875 N ASN A 137 -1.712 6.495 -2.286 1.00 0.00 N ATOM 876 CA ASN A 137 -2.951 7.017 -1.746 1.00 0.00 C ATOM 877 C ASN A 137 -4.039 5.995 -2.027 1.00 0.00 C ATOM 878 O ASN A 137 -3.877 5.148 -2.906 1.00 0.00 O ATOM 879 CB ASN A 137 -3.293 8.356 -2.401 1.00 0.00 C ATOM 880 CG ASN A 137 -2.188 9.374 -2.127 1.00 0.00 C ATOM 881 OD1 ASN A 137 -2.053 10.357 -2.854 1.00 0.00 O ATOM 882 ND2 ASN A 137 -1.382 9.195 -1.116 1.00 0.00 N ATOM 0 H ASN A 137 -1.442 6.883 -3.190 1.00 0.00 H new ATOM 0 HA ASN A 137 -2.859 7.188 -0.674 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -3.416 8.223 -3.476 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -4.243 8.726 -2.015 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -0.641 9.870 -0.929 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -1.494 8.380 -0.513 1.00 0.00 H new ATOM 889 N TYR A 138 -5.129 6.039 -1.282 1.00 0.00 N ATOM 890 CA TYR A 138 -6.185 5.063 -1.495 1.00 0.00 C ATOM 891 C TYR A 138 -6.585 5.009 -2.969 1.00 0.00 C ATOM 892 O TYR A 138 -6.715 3.927 -3.539 1.00 0.00 O ATOM 893 CB TYR A 138 -7.407 5.403 -0.642 1.00 0.00 C ATOM 894 CG TYR A 138 -8.517 4.456 -1.019 1.00 0.00 C ATOM 895 CD1 TYR A 138 -8.380 3.096 -0.739 1.00 0.00 C ATOM 896 CD2 TYR A 138 -9.654 4.926 -1.680 1.00 0.00 C ATOM 897 CE1 TYR A 138 -9.379 2.203 -1.118 1.00 0.00 C ATOM 898 CE2 TYR A 138 -10.662 4.032 -2.055 1.00 0.00 C ATOM 899 CZ TYR A 138 -10.523 2.668 -1.776 1.00 0.00 C ATOM 900 OH TYR A 138 -11.510 1.783 -2.158 1.00 0.00 O ATOM 0 H TYR A 138 -5.305 6.720 -0.543 1.00 0.00 H new ATOM 0 HA TYR A 138 -5.804 4.086 -1.199 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -7.170 5.309 0.418 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -7.714 6.435 -0.810 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -7.499 2.736 -0.228 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -9.755 5.978 -1.901 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -9.271 1.150 -0.904 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -11.546 4.394 -2.559 1.00 0.00 H new ATOM 0 HH TYR A 138 -12.193 2.258 -2.677 1.00 0.00 H new ATOM 910 N GLU A 139 -6.785 6.167 -3.578 1.00 0.00 N ATOM 911 CA GLU A 139 -7.180 6.209 -4.980 1.00 0.00 C ATOM 912 C GLU A 139 -6.146 5.503 -5.852 1.00 0.00 C ATOM 913 O GLU A 139 -6.496 4.749 -6.759 1.00 0.00 O ATOM 914 CB GLU A 139 -7.341 7.661 -5.432 1.00 0.00 C ATOM 915 CG GLU A 139 -6.002 8.391 -5.308 1.00 0.00 C ATOM 916 CD GLU A 139 -6.210 9.889 -5.494 1.00 0.00 C ATOM 917 OE1 GLU A 139 -7.049 10.255 -6.302 1.00 0.00 O ATOM 918 OE2 GLU A 139 -5.531 10.648 -4.824 1.00 0.00 O ATOM 0 H GLU A 139 -6.683 7.079 -3.133 1.00 0.00 H new ATOM 0 HA GLU A 139 -8.133 5.691 -5.087 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -7.690 7.694 -6.464 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -8.096 8.160 -4.824 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -5.560 8.195 -4.331 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -5.303 8.016 -6.056 1.00 0.00 H new ATOM 925 N GLU A 140 -4.875 5.752 -5.578 1.00 0.00 N ATOM 926 CA GLU A 140 -3.808 5.135 -6.349 1.00 0.00 C ATOM 927 C GLU A 140 -3.816 3.628 -6.130 1.00 0.00 C ATOM 928 O GLU A 140 -3.604 2.853 -7.063 1.00 0.00 O ATOM 929 CB GLU A 140 -2.467 5.725 -5.919 1.00 0.00 C ATOM 930 CG GLU A 140 -1.368 5.276 -6.879 1.00 0.00 C ATOM 931 CD GLU A 140 -0.089 6.051 -6.583 1.00 0.00 C ATOM 932 OE1 GLU A 140 0.550 5.739 -5.594 1.00 0.00 O ATOM 933 OE2 GLU A 140 0.231 6.946 -7.348 1.00 0.00 O ATOM 0 H GLU A 140 -4.559 6.373 -4.833 1.00 0.00 H new ATOM 0 HA GLU A 140 -3.962 5.333 -7.410 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -2.527 6.813 -5.905 1.00 0.00 H new ATOM 0 HB3 GLU A 140 -2.228 5.406 -4.905 1.00 0.00 H new ATOM 0 HG2 GLU A 140 -1.191 4.206 -6.771 1.00 0.00 H new ATOM 0 HG3 GLU A 140 -1.679 5.446 -7.910 1.00 0.00 H new ATOM 940 N PHE A 141 -4.088 3.219 -4.894 1.00 0.00 N ATOM 941 CA PHE A 141 -4.152 1.799 -4.571 1.00 0.00 C ATOM 942 C PHE A 141 -5.260 1.157 -5.382 1.00 0.00 C ATOM 943 O PHE A 141 -5.089 0.083 -5.955 1.00 0.00 O ATOM 944 CB PHE A 141 -4.430 1.594 -3.078 1.00 0.00 C ATOM 945 CG PHE A 141 -4.332 0.121 -2.722 1.00 0.00 C ATOM 946 CD1 PHE A 141 -3.115 -0.560 -2.876 1.00 0.00 C ATOM 947 CD2 PHE A 141 -5.453 -0.570 -2.224 1.00 0.00 C ATOM 948 CE1 PHE A 141 -3.020 -1.912 -2.537 1.00 0.00 C ATOM 949 CE2 PHE A 141 -5.352 -1.918 -1.886 1.00 0.00 C ATOM 950 CZ PHE A 141 -4.135 -2.590 -2.042 1.00 0.00 C ATOM 0 H PHE A 141 -4.266 3.844 -4.108 1.00 0.00 H new ATOM 0 HA PHE A 141 -3.193 1.339 -4.811 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -3.716 2.167 -2.486 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -5.423 1.970 -2.831 1.00 0.00 H new ATOM 0 HD1 PHE A 141 -2.250 -0.038 -3.257 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -6.394 -0.054 -2.104 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -2.082 -2.433 -2.658 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -6.214 -2.444 -1.503 1.00 0.00 H new ATOM 0 HZ PHE A 141 -4.058 -3.635 -1.779 1.00 0.00 H new ATOM 960 N VAL A 142 -6.394 1.842 -5.432 1.00 0.00 N ATOM 961 CA VAL A 142 -7.545 1.363 -6.176 1.00 0.00 C ATOM 962 C VAL A 142 -7.157 1.168 -7.635 1.00 0.00 C ATOM 963 O VAL A 142 -7.512 0.167 -8.254 1.00 0.00 O ATOM 964 CB VAL A 142 -8.690 2.380 -6.055 1.00 0.00 C ATOM 965 CG1 VAL A 142 -9.843 1.989 -6.984 1.00 0.00 C ATOM 966 CG2 VAL A 142 -9.192 2.426 -4.600 1.00 0.00 C ATOM 0 H VAL A 142 -6.539 2.736 -4.963 1.00 0.00 H new ATOM 0 HA VAL A 142 -7.879 0.408 -5.770 1.00 0.00 H new ATOM 0 HB VAL A 142 -8.320 3.364 -6.343 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -10.649 2.717 -6.890 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -9.489 1.970 -8.015 1.00 0.00 H new ATOM 0 HG13 VAL A 142 -10.213 1.001 -6.709 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -10.004 3.148 -4.518 1.00 0.00 H new ATOM 0 HG22 VAL A 142 -9.553 1.440 -4.308 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -8.375 2.722 -3.942 1.00 0.00 H new ATOM 976 N LYS A 143 -6.415 2.128 -8.175 1.00 0.00 N ATOM 977 CA LYS A 143 -5.973 2.052 -9.562 1.00 0.00 C ATOM 978 C LYS A 143 -5.111 0.803 -9.777 1.00 0.00 C ATOM 979 O LYS A 143 -5.311 0.064 -10.743 1.00 0.00 O ATOM 980 CB LYS A 143 -5.164 3.311 -9.906 1.00 0.00 C ATOM 981 CG LYS A 143 -4.771 3.333 -11.395 1.00 0.00 C ATOM 982 CD LYS A 143 -6.000 3.611 -12.275 1.00 0.00 C ATOM 983 CE LYS A 143 -5.542 4.062 -13.665 1.00 0.00 C ATOM 984 NZ LYS A 143 -4.857 5.381 -13.559 1.00 0.00 N ATOM 0 H LYS A 143 -6.108 2.964 -7.677 1.00 0.00 H new ATOM 0 HA LYS A 143 -6.845 1.989 -10.213 1.00 0.00 H new ATOM 0 HB2 LYS A 143 -5.750 4.199 -9.669 1.00 0.00 H new ATOM 0 HB3 LYS A 143 -4.266 3.348 -9.290 1.00 0.00 H new ATOM 0 HG2 LYS A 143 -4.014 4.099 -11.566 1.00 0.00 H new ATOM 0 HG3 LYS A 143 -4.326 2.378 -11.673 1.00 0.00 H new ATOM 0 HD2 LYS A 143 -6.613 2.713 -12.356 1.00 0.00 H new ATOM 0 HD3 LYS A 143 -6.621 4.381 -11.818 1.00 0.00 H new ATOM 0 HE2 LYS A 143 -4.866 3.323 -14.094 1.00 0.00 H new ATOM 0 HE3 LYS A 143 -6.398 4.138 -14.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 143 -4.995 5.916 -14.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 143 -5.257 5.917 -12.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 143 -3.840 5.232 -13.400 1.00 0.00 H new ATOM 998 N VAL A 144 -4.156 0.565 -8.874 1.00 0.00 N ATOM 999 CA VAL A 144 -3.285 -0.601 -8.983 1.00 0.00 C ATOM 1000 C VAL A 144 -4.052 -1.900 -8.723 1.00 0.00 C ATOM 1001 O VAL A 144 -3.913 -2.872 -9.467 1.00 0.00 O ATOM 1002 CB VAL A 144 -2.148 -0.475 -7.972 1.00 0.00 C ATOM 1003 CG1 VAL A 144 -1.271 -1.729 -8.016 1.00 0.00 C ATOM 1004 CG2 VAL A 144 -1.303 0.758 -8.306 1.00 0.00 C ATOM 0 H VAL A 144 -3.970 1.160 -8.067 1.00 0.00 H new ATOM 0 HA VAL A 144 -2.890 -0.638 -9.998 1.00 0.00 H new ATOM 0 HB VAL A 144 -2.566 -0.369 -6.971 1.00 0.00 H new ATOM 0 HG11 VAL A 144 -0.462 -1.633 -7.292 1.00 0.00 H new ATOM 0 HG12 VAL A 144 -1.874 -2.603 -7.772 1.00 0.00 H new ATOM 0 HG13 VAL A 144 -0.852 -1.845 -9.016 1.00 0.00 H new ATOM 0 HG21 VAL A 144 -0.491 0.849 -7.585 1.00 0.00 H new ATOM 0 HG22 VAL A 144 -0.888 0.654 -9.308 1.00 0.00 H new ATOM 0 HG23 VAL A 144 -1.928 1.650 -8.263 1.00 0.00 H new ATOM 1014 N MET A 145 -4.849 -1.910 -7.658 1.00 0.00 N ATOM 1015 CA MET A 145 -5.622 -3.098 -7.302 1.00 0.00 C ATOM 1016 C MET A 145 -6.723 -3.359 -8.331 1.00 0.00 C ATOM 1017 O MET A 145 -6.928 -4.495 -8.757 1.00 0.00 O ATOM 1018 CB MET A 145 -6.217 -2.929 -5.878 1.00 0.00 C ATOM 1019 CG MET A 145 -5.368 -3.680 -4.843 1.00 0.00 C ATOM 1020 SD MET A 145 -5.425 -5.459 -5.175 1.00 0.00 S ATOM 1021 CE MET A 145 -3.809 -5.866 -4.469 1.00 0.00 C ATOM 0 H MET A 145 -4.977 -1.116 -7.030 1.00 0.00 H new ATOM 0 HA MET A 145 -4.960 -3.964 -7.303 1.00 0.00 H new ATOM 0 HB2 MET A 145 -6.262 -1.871 -5.620 1.00 0.00 H new ATOM 0 HB3 MET A 145 -7.240 -3.305 -5.859 1.00 0.00 H new ATOM 0 HG2 MET A 145 -4.337 -3.327 -4.880 1.00 0.00 H new ATOM 0 HG3 MET A 145 -5.739 -3.476 -3.838 1.00 0.00 H new ATOM 0 HE1 MET A 145 -3.629 -6.937 -4.566 1.00 0.00 H new ATOM 0 HE2 MET A 145 -3.031 -5.318 -5.000 1.00 0.00 H new ATOM 0 HE3 MET A 145 -3.792 -5.589 -3.415 1.00 0.00 H new ATOM 1031 N MET A 146 -7.434 -2.307 -8.719 1.00 0.00 N ATOM 1032 CA MET A 146 -8.514 -2.445 -9.689 1.00 0.00 C ATOM 1033 C MET A 146 -7.964 -2.929 -11.029 1.00 0.00 C ATOM 1034 O MET A 146 -8.587 -3.749 -11.706 1.00 0.00 O ATOM 1035 CB MET A 146 -9.226 -1.102 -9.870 1.00 0.00 C ATOM 1036 CG MET A 146 -10.419 -1.269 -10.814 1.00 0.00 C ATOM 1037 SD MET A 146 -11.264 0.321 -10.999 1.00 0.00 S ATOM 1038 CE MET A 146 -12.391 0.148 -9.594 1.00 0.00 C ATOM 0 H MET A 146 -7.284 -1.357 -8.380 1.00 0.00 H new ATOM 0 HA MET A 146 -9.228 -3.181 -9.318 1.00 0.00 H new ATOM 0 HB2 MET A 146 -9.565 -0.727 -8.904 1.00 0.00 H new ATOM 0 HB3 MET A 146 -8.532 -0.364 -10.273 1.00 0.00 H new ATOM 0 HG2 MET A 146 -10.081 -1.629 -11.786 1.00 0.00 H new ATOM 0 HG3 MET A 146 -11.108 -2.016 -10.419 1.00 0.00 H new ATOM 0 HE1 MET A 146 -13.019 1.036 -9.520 1.00 0.00 H new ATOM 0 HE2 MET A 146 -13.020 -0.730 -9.738 1.00 0.00 H new ATOM 0 HE3 MET A 146 -11.814 0.034 -8.676 1.00 0.00 H new ATOM 1048 N ALA A 147 -6.798 -2.416 -11.408 1.00 0.00 N ATOM 1049 CA ALA A 147 -6.175 -2.800 -12.671 1.00 0.00 C ATOM 1050 C ALA A 147 -5.502 -4.164 -12.549 1.00 0.00 C ATOM 1051 O ALA A 147 -4.874 -4.642 -13.495 1.00 0.00 O ATOM 1052 CB ALA A 147 -5.137 -1.753 -13.078 1.00 0.00 C ATOM 0 H ALA A 147 -6.267 -1.737 -10.862 1.00 0.00 H new ATOM 0 HA ALA A 147 -6.952 -2.860 -13.433 1.00 0.00 H new ATOM 0 HB1 ALA A 147 -4.676 -2.045 -14.021 1.00 0.00 H new ATOM 0 HB2 ALA A 147 -5.624 -0.785 -13.197 1.00 0.00 H new ATOM 0 HB3 ALA A 147 -4.371 -1.681 -12.306 1.00 0.00 H new ATOM 1058 N LYS A 148 -5.634 -4.786 -11.378 1.00 0.00 N ATOM 1059 CA LYS A 148 -5.034 -6.101 -11.136 1.00 0.00 C ATOM 1060 C LYS A 148 -5.978 -6.978 -10.319 1.00 0.00 C ATOM 1061 O LYS A 148 -5.513 -7.599 -9.377 1.00 0.00 O ATOM 1062 CB LYS A 148 -3.713 -5.937 -10.382 1.00 0.00 C ATOM 1063 CG LYS A 148 -2.682 -5.274 -11.299 1.00 0.00 C ATOM 1064 CD LYS A 148 -1.376 -5.061 -10.531 1.00 0.00 C ATOM 1065 CE LYS A 148 -0.359 -4.369 -11.439 1.00 0.00 C ATOM 1066 NZ LYS A 148 0.021 -5.288 -12.548 1.00 0.00 N ATOM 1067 OXT LYS A 148 -7.152 -7.015 -10.649 1.00 0.00 O ATOM 0 H LYS A 148 -6.148 -4.404 -10.584 1.00 0.00 H new ATOM 0 HA LYS A 148 -4.851 -6.580 -12.098 1.00 0.00 H new ATOM 0 HB2 LYS A 148 -3.864 -5.331 -9.489 1.00 0.00 H new ATOM 0 HB3 LYS A 148 -3.348 -6.909 -10.050 1.00 0.00 H new ATOM 0 HG2 LYS A 148 -2.504 -5.899 -12.174 1.00 0.00 H new ATOM 0 HG3 LYS A 148 -3.063 -4.319 -11.661 1.00 0.00 H new ATOM 0 HD2 LYS A 148 -1.558 -4.456 -9.643 1.00 0.00 H new ATOM 0 HD3 LYS A 148 -0.982 -6.018 -10.189 1.00 0.00 H new ATOM 0 HE2 LYS A 148 -0.782 -3.449 -11.843 1.00 0.00 H new ATOM 0 HE3 LYS A 148 0.525 -4.088 -10.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 148 0.909 -4.962 -12.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 148 0.150 -6.249 -12.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 148 -0.731 -5.295 -13.266 1.00 0.00 H new TER 1081 LYS A 148 HETATM 1082 CA CA A 221 1.473 6.037 6.326 1.00 0.00 CA HETATM 1083 CA CA A 234 0.893 8.583 -5.288 1.00 0.00 CA