USER MOD reduce.3.24.130724 H: found=0, std=0, add=449, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 452 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 150 THR OG1 : rot -140:sc= 0 USER MOD Set 1.2: A 164 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 128 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 136 GLN : amide:sc= -0.0765 K(o=-0.076,f=-0.93) USER MOD Single : A 141 SER OG : rot 180:sc= -0.0784 USER MOD Single : A 148 THR OG1 : rot 180:sc= 0 USER MOD Single : A 152 THR OG1 : rot -160:sc= 0.0335 USER MOD Single : A 155 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 160 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 162 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 166 THR OG1 : rot 180:sc= 0.0111 USER MOD Single : A 172 THR OG1 : rot -30:sc= 0.548 USER MOD Single : A 179 SER OG : rot 180:sc= 0 USER MOD Single : A 180 GLN : amide:sc= 0.637 K(o=0.64,f=0) USER MOD Single : A 183 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 127 0.330 -13.661 2.363 1.00 0.00 N ATOM 2 CA ALA A 127 0.799 -14.854 1.613 1.00 0.00 C ATOM 3 C ALA A 127 -0.246 -15.308 0.599 1.00 0.00 C ATOM 4 O ALA A 127 0.037 -15.409 -0.595 1.00 0.00 O ATOM 5 CB ALA A 127 1.125 -15.986 2.575 1.00 0.00 C ATOM 0 HA ALA A 127 1.703 -14.580 1.070 1.00 0.00 H new ATOM 0 HB1 ALA A 127 1.468 -16.854 2.012 1.00 0.00 H new ATOM 0 HB2 ALA A 127 1.909 -15.666 3.261 1.00 0.00 H new ATOM 0 HB3 ALA A 127 0.232 -16.250 3.142 1.00 0.00 H new ATOM 13 N GLN A 128 -1.453 -15.578 1.082 1.00 0.00 N ATOM 14 CA GLN A 128 -2.541 -16.020 0.216 1.00 0.00 C ATOM 15 C GLN A 128 -3.463 -14.857 -0.137 1.00 0.00 C ATOM 16 O GLN A 128 -4.662 -15.041 -0.346 1.00 0.00 O ATOM 17 CB GLN A 128 -3.339 -17.137 0.897 1.00 0.00 C ATOM 18 CG GLN A 128 -3.236 -18.476 0.186 1.00 0.00 C ATOM 19 CD GLN A 128 -3.839 -19.610 0.989 1.00 0.00 C ATOM 20 OE1 GLN A 128 -4.802 -19.418 1.732 1.00 0.00 O ATOM 21 NE2 GLN A 128 -3.272 -20.804 0.848 1.00 0.00 N ATOM 0 H GLN A 128 -1.704 -15.499 2.068 1.00 0.00 H new ATOM 0 HA GLN A 128 -2.107 -16.405 -0.707 1.00 0.00 H new ATOM 0 HB2 GLN A 128 -2.987 -17.251 1.922 1.00 0.00 H new ATOM 0 HB3 GLN A 128 -4.387 -16.843 0.951 1.00 0.00 H new ATOM 0 HG2 GLN A 128 -3.740 -18.411 -0.778 1.00 0.00 H new ATOM 0 HG3 GLN A 128 -2.188 -18.696 -0.016 1.00 0.00 H new ATOM 0 HE21 GLN A 128 -2.475 -20.920 0.221 1.00 0.00 H new ATOM 0 HE22 GLN A 128 -3.634 -21.605 1.366 1.00 0.00 H new ATOM 30 N VAL A 129 -2.895 -13.657 -0.202 1.00 0.00 N ATOM 31 CA VAL A 129 -3.665 -12.464 -0.532 1.00 0.00 C ATOM 32 C VAL A 129 -2.913 -11.578 -1.520 1.00 0.00 C ATOM 33 O VAL A 129 -1.683 -11.528 -1.513 1.00 0.00 O ATOM 34 CB VAL A 129 -3.992 -11.640 0.729 1.00 0.00 C ATOM 35 CG1 VAL A 129 -4.960 -10.515 0.396 1.00 0.00 C ATOM 36 CG2 VAL A 129 -4.560 -12.537 1.819 1.00 0.00 C ATOM 0 H VAL A 129 -1.904 -13.485 -0.030 1.00 0.00 H new ATOM 0 HA VAL A 129 -4.594 -12.805 -0.988 1.00 0.00 H new ATOM 0 HB VAL A 129 -3.069 -11.195 1.100 1.00 0.00 H new ATOM 0 HG11 VAL A 129 -5.179 -9.944 1.299 1.00 0.00 H new ATOM 0 HG12 VAL A 129 -4.512 -9.858 -0.349 1.00 0.00 H new ATOM 0 HG13 VAL A 129 -5.884 -10.936 -0.001 1.00 0.00 H new ATOM 0 HG21 VAL A 129 -4.785 -11.939 2.702 1.00 0.00 H new ATOM 0 HG22 VAL A 129 -5.473 -13.012 1.460 1.00 0.00 H new ATOM 0 HG23 VAL A 129 -3.829 -13.304 2.077 1.00 0.00 H new ATOM 46 N ALA A 130 -3.661 -10.883 -2.370 1.00 0.00 N ATOM 47 CA ALA A 130 -3.065 -10.000 -3.365 1.00 0.00 C ATOM 48 C ALA A 130 -2.235 -8.906 -2.702 1.00 0.00 C ATOM 49 O ALA A 130 -1.019 -8.839 -2.885 1.00 0.00 O ATOM 50 CB ALA A 130 -4.146 -9.386 -4.241 1.00 0.00 C ATOM 0 H ALA A 130 -4.680 -10.914 -2.390 1.00 0.00 H new ATOM 0 HA ALA A 130 -2.400 -10.596 -3.991 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -3.686 -8.729 -4.979 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -4.694 -10.178 -4.751 1.00 0.00 H new ATOM 0 HB3 ALA A 130 -4.833 -8.810 -3.621 1.00 0.00 H new ATOM 56 N PHE A 131 -2.900 -8.051 -1.932 1.00 0.00 N ATOM 57 CA PHE A 131 -2.222 -6.960 -1.242 1.00 0.00 C ATOM 58 C PHE A 131 -1.766 -7.396 0.147 1.00 0.00 C ATOM 59 O PHE A 131 -2.338 -8.307 0.743 1.00 0.00 O ATOM 60 CB PHE A 131 -3.150 -5.749 -1.130 1.00 0.00 C ATOM 61 CG PHE A 131 -2.418 -4.437 -1.077 1.00 0.00 C ATOM 62 CD1 PHE A 131 -2.007 -3.811 -2.243 1.00 0.00 C ATOM 63 CD2 PHE A 131 -2.143 -3.832 0.138 1.00 0.00 C ATOM 64 CE1 PHE A 131 -1.334 -2.605 -2.198 1.00 0.00 C ATOM 65 CE2 PHE A 131 -1.469 -2.625 0.190 1.00 0.00 C ATOM 66 CZ PHE A 131 -1.065 -2.011 -0.978 1.00 0.00 C ATOM 0 H PHE A 131 -3.906 -8.092 -1.770 1.00 0.00 H new ATOM 0 HA PHE A 131 -1.342 -6.684 -1.823 1.00 0.00 H new ATOM 0 HB2 PHE A 131 -3.831 -5.742 -1.981 1.00 0.00 H new ATOM 0 HB3 PHE A 131 -3.762 -5.851 -0.234 1.00 0.00 H new ATOM 0 HD1 PHE A 131 -2.215 -4.271 -3.198 1.00 0.00 H new ATOM 0 HD2 PHE A 131 -2.458 -4.308 1.055 1.00 0.00 H new ATOM 0 HE1 PHE A 131 -1.019 -2.127 -3.114 1.00 0.00 H new ATOM 0 HE2 PHE A 131 -1.259 -2.164 1.144 1.00 0.00 H new ATOM 0 HZ PHE A 131 -0.540 -1.068 -0.940 1.00 0.00 H new ATOM 76 N ARG A 132 -0.731 -6.736 0.657 1.00 0.00 N ATOM 77 CA ARG A 132 -0.197 -7.055 1.976 1.00 0.00 C ATOM 78 C ARG A 132 0.580 -5.874 2.548 1.00 0.00 C ATOM 79 O ARG A 132 1.047 -5.007 1.810 1.00 0.00 O ATOM 80 CB ARG A 132 0.710 -8.285 1.899 1.00 0.00 C ATOM 81 CG ARG A 132 1.832 -8.152 0.883 1.00 0.00 C ATOM 82 CD ARG A 132 3.162 -7.849 1.555 1.00 0.00 C ATOM 83 NE ARG A 132 4.106 -7.213 0.640 1.00 0.00 N ATOM 84 CZ ARG A 132 4.787 -7.868 -0.297 1.00 0.00 C ATOM 85 NH1 ARG A 132 4.633 -9.178 -0.446 1.00 0.00 N ATOM 86 NH2 ARG A 132 5.626 -7.213 -1.088 1.00 0.00 N ATOM 0 H ARG A 132 -0.246 -5.978 0.177 1.00 0.00 H new ATOM 0 HA ARG A 132 -1.036 -7.271 2.637 1.00 0.00 H new ATOM 0 HB2 ARG A 132 1.142 -8.469 2.883 1.00 0.00 H new ATOM 0 HB3 ARG A 132 0.105 -9.157 1.648 1.00 0.00 H new ATOM 0 HG2 ARG A 132 1.915 -9.075 0.309 1.00 0.00 H new ATOM 0 HG3 ARG A 132 1.591 -7.358 0.176 1.00 0.00 H new ATOM 0 HD2 ARG A 132 2.994 -7.198 2.413 1.00 0.00 H new ATOM 0 HD3 ARG A 132 3.594 -8.774 1.936 1.00 0.00 H new ATOM 0 HE ARG A 132 4.252 -6.207 0.724 1.00 0.00 H new ATOM 0 HH11 ARG A 132 3.990 -9.688 0.160 1.00 0.00 H new ATOM 0 HH12 ARG A 132 5.158 -9.675 -1.166 1.00 0.00 H new ATOM 0 HH21 ARG A 132 5.750 -6.206 -0.978 1.00 0.00 H new ATOM 0 HH22 ARG A 132 6.148 -7.716 -1.806 1.00 0.00 H new ATOM 100 N GLU A 133 0.714 -5.846 3.871 1.00 0.00 N ATOM 101 CA GLU A 133 1.434 -4.771 4.543 1.00 0.00 C ATOM 102 C GLU A 133 2.900 -4.749 4.119 1.00 0.00 C ATOM 103 O GLU A 133 3.550 -5.792 4.049 1.00 0.00 O ATOM 104 CB GLU A 133 1.333 -4.933 6.061 1.00 0.00 C ATOM 105 CG GLU A 133 1.810 -6.285 6.561 1.00 0.00 C ATOM 106 CD GLU A 133 2.309 -6.236 7.992 1.00 0.00 C ATOM 107 OE1 GLU A 133 1.697 -5.515 8.809 1.00 0.00 O ATOM 108 OE2 GLU A 133 3.312 -6.914 8.296 1.00 0.00 O ATOM 0 H GLU A 133 0.333 -6.555 4.498 1.00 0.00 H new ATOM 0 HA GLU A 133 0.977 -3.825 4.254 1.00 0.00 H new ATOM 0 HB2 GLU A 133 1.919 -4.150 6.541 1.00 0.00 H new ATOM 0 HB3 GLU A 133 0.297 -4.787 6.365 1.00 0.00 H new ATOM 0 HG2 GLU A 133 0.993 -7.003 6.490 1.00 0.00 H new ATOM 0 HG3 GLU A 133 2.609 -6.646 5.914 1.00 0.00 H new ATOM 115 N GLY A 134 3.412 -3.556 3.838 1.00 0.00 N ATOM 116 CA GLY A 134 4.795 -3.423 3.425 1.00 0.00 C ATOM 117 C GLY A 134 4.937 -3.148 1.940 1.00 0.00 C ATOM 118 O GLY A 134 5.941 -2.590 1.498 1.00 0.00 O ATOM 0 H GLY A 134 2.893 -2.679 3.889 1.00 0.00 H new ATOM 0 HA2 GLY A 134 5.262 -2.614 3.987 1.00 0.00 H new ATOM 0 HA3 GLY A 134 5.334 -4.337 3.675 1.00 0.00 H new ATOM 122 N ASP A 135 3.929 -3.542 1.166 1.00 0.00 N ATOM 123 CA ASP A 135 3.946 -3.336 -0.277 1.00 0.00 C ATOM 124 C ASP A 135 4.092 -1.855 -0.615 1.00 0.00 C ATOM 125 O ASP A 135 3.787 -0.988 0.204 1.00 0.00 O ATOM 126 CB ASP A 135 2.670 -3.892 -0.910 1.00 0.00 C ATOM 127 CG ASP A 135 2.929 -4.548 -2.252 1.00 0.00 C ATOM 128 OD1 ASP A 135 3.848 -4.095 -2.966 1.00 0.00 O ATOM 129 OD2 ASP A 135 2.212 -5.514 -2.588 1.00 0.00 O ATOM 0 H ASP A 135 3.090 -4.006 1.515 1.00 0.00 H new ATOM 0 HA ASP A 135 4.806 -3.869 -0.683 1.00 0.00 H new ATOM 0 HB2 ASP A 135 2.219 -4.619 -0.234 1.00 0.00 H new ATOM 0 HB3 ASP A 135 1.949 -3.085 -1.036 1.00 0.00 H new ATOM 134 N GLN A 136 4.562 -1.575 -1.827 1.00 0.00 N ATOM 135 CA GLN A 136 4.750 -0.200 -2.275 1.00 0.00 C ATOM 136 C GLN A 136 3.742 0.164 -3.360 1.00 0.00 C ATOM 137 O GLN A 136 3.463 -0.633 -4.256 1.00 0.00 O ATOM 138 CB GLN A 136 6.172 -0.003 -2.800 1.00 0.00 C ATOM 139 CG GLN A 136 7.249 -0.341 -1.781 1.00 0.00 C ATOM 140 CD GLN A 136 7.802 0.888 -1.088 1.00 0.00 C ATOM 141 OE1 GLN A 136 7.177 1.950 -1.089 1.00 0.00 O ATOM 142 NE2 GLN A 136 8.982 0.753 -0.495 1.00 0.00 N ATOM 0 H GLN A 136 4.819 -2.282 -2.516 1.00 0.00 H new ATOM 0 HA GLN A 136 4.590 0.457 -1.421 1.00 0.00 H new ATOM 0 HB2 GLN A 136 6.313 -0.624 -3.685 1.00 0.00 H new ATOM 0 HB3 GLN A 136 6.294 1.033 -3.115 1.00 0.00 H new ATOM 0 HG2 GLN A 136 6.837 -1.020 -1.034 1.00 0.00 H new ATOM 0 HG3 GLN A 136 8.062 -0.870 -2.279 1.00 0.00 H new ATOM 0 HE21 GLN A 136 9.465 -0.145 -0.519 1.00 0.00 H new ATOM 0 HE22 GLN A 136 9.406 1.547 -0.016 1.00 0.00 H new ATOM 151 N VAL A 137 3.198 1.373 -3.272 1.00 0.00 N ATOM 152 CA VAL A 137 2.221 1.847 -4.246 1.00 0.00 C ATOM 153 C VAL A 137 2.460 3.315 -4.587 1.00 0.00 C ATOM 154 O VAL A 137 2.662 4.141 -3.698 1.00 0.00 O ATOM 155 CB VAL A 137 0.782 1.683 -3.720 1.00 0.00 C ATOM 156 CG1 VAL A 137 0.415 0.211 -3.617 1.00 0.00 C ATOM 157 CG2 VAL A 137 0.623 2.376 -2.375 1.00 0.00 C ATOM 0 H VAL A 137 3.417 2.043 -2.535 1.00 0.00 H new ATOM 0 HA VAL A 137 2.344 1.241 -5.143 1.00 0.00 H new ATOM 0 HB VAL A 137 0.100 2.154 -4.428 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -0.605 0.115 -3.244 1.00 0.00 H new ATOM 0 HG12 VAL A 137 0.486 -0.251 -4.602 1.00 0.00 H new ATOM 0 HG13 VAL A 137 1.100 -0.288 -2.932 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -0.400 2.250 -2.019 1.00 0.00 H new ATOM 0 HG22 VAL A 137 1.314 1.937 -1.656 1.00 0.00 H new ATOM 0 HG23 VAL A 137 0.840 3.438 -2.485 1.00 0.00 H new ATOM 167 N ARG A 138 2.430 3.634 -5.877 1.00 0.00 N ATOM 168 CA ARG A 138 2.642 5.006 -6.324 1.00 0.00 C ATOM 169 C ARG A 138 1.372 5.831 -6.162 1.00 0.00 C ATOM 170 O ARG A 138 0.286 5.289 -5.951 1.00 0.00 O ATOM 171 CB ARG A 138 3.095 5.037 -7.787 1.00 0.00 C ATOM 172 CG ARG A 138 4.294 5.941 -8.041 1.00 0.00 C ATOM 173 CD ARG A 138 4.652 5.991 -9.516 1.00 0.00 C ATOM 174 NE ARG A 138 4.979 4.669 -10.048 1.00 0.00 N ATOM 175 CZ ARG A 138 5.542 4.467 -11.237 1.00 0.00 C ATOM 176 NH1 ARG A 138 5.845 5.496 -12.019 1.00 0.00 N ATOM 177 NH2 ARG A 138 5.805 3.233 -11.645 1.00 0.00 N ATOM 0 H ARG A 138 2.262 2.965 -6.628 1.00 0.00 H new ATOM 0 HA ARG A 138 3.425 5.440 -5.703 1.00 0.00 H new ATOM 0 HB2 ARG A 138 3.343 4.023 -8.102 1.00 0.00 H new ATOM 0 HB3 ARG A 138 2.263 5.370 -8.408 1.00 0.00 H new ATOM 0 HG2 ARG A 138 4.074 6.947 -7.685 1.00 0.00 H new ATOM 0 HG3 ARG A 138 5.150 5.581 -7.470 1.00 0.00 H new ATOM 0 HD2 ARG A 138 3.817 6.411 -10.077 1.00 0.00 H new ATOM 0 HD3 ARG A 138 5.501 6.659 -9.660 1.00 0.00 H new ATOM 0 HE ARG A 138 4.763 3.854 -9.474 1.00 0.00 H new ATOM 0 HH11 ARG A 138 5.646 6.447 -11.710 1.00 0.00 H new ATOM 0 HH12 ARG A 138 6.276 5.335 -12.929 1.00 0.00 H new ATOM 0 HH21 ARG A 138 5.576 2.439 -11.048 1.00 0.00 H new ATOM 0 HH22 ARG A 138 6.236 3.078 -12.556 1.00 0.00 H new ATOM 191 N VAL A 139 1.520 7.143 -6.261 1.00 0.00 N ATOM 192 CA VAL A 139 0.392 8.058 -6.129 1.00 0.00 C ATOM 193 C VAL A 139 -0.407 8.125 -7.429 1.00 0.00 C ATOM 194 O VAL A 139 0.024 7.605 -8.459 1.00 0.00 O ATOM 195 CB VAL A 139 0.868 9.474 -5.748 1.00 0.00 C ATOM 196 CG1 VAL A 139 -0.290 10.316 -5.233 1.00 0.00 C ATOM 197 CG2 VAL A 139 1.980 9.403 -4.711 1.00 0.00 C ATOM 0 H VAL A 139 2.414 7.602 -6.433 1.00 0.00 H new ATOM 0 HA VAL A 139 -0.248 7.675 -5.334 1.00 0.00 H new ATOM 0 HB VAL A 139 1.262 9.952 -6.645 1.00 0.00 H new ATOM 0 HG11 VAL A 139 0.071 11.310 -4.971 1.00 0.00 H new ATOM 0 HG12 VAL A 139 -1.052 10.400 -6.008 1.00 0.00 H new ATOM 0 HG13 VAL A 139 -0.720 9.842 -4.351 1.00 0.00 H new ATOM 0 HG21 VAL A 139 2.303 10.412 -4.454 1.00 0.00 H new ATOM 0 HG22 VAL A 139 1.612 8.901 -3.816 1.00 0.00 H new ATOM 0 HG23 VAL A 139 2.823 8.845 -5.119 1.00 0.00 H new ATOM 207 N VAL A 140 -1.576 8.757 -7.377 1.00 0.00 N ATOM 208 CA VAL A 140 -2.431 8.874 -8.556 1.00 0.00 C ATOM 209 C VAL A 140 -1.958 9.984 -9.493 1.00 0.00 C ATOM 210 O VAL A 140 -1.543 9.713 -10.620 1.00 0.00 O ATOM 211 CB VAL A 140 -3.912 9.125 -8.182 1.00 0.00 C ATOM 212 CG1 VAL A 140 -4.613 7.806 -7.895 1.00 0.00 C ATOM 213 CG2 VAL A 140 -4.039 10.075 -6.994 1.00 0.00 C ATOM 0 H VAL A 140 -1.952 9.194 -6.536 1.00 0.00 H new ATOM 0 HA VAL A 140 -2.358 7.916 -9.071 1.00 0.00 H new ATOM 0 HB VAL A 140 -4.396 9.603 -9.034 1.00 0.00 H new ATOM 0 HG11 VAL A 140 -5.654 7.997 -7.633 1.00 0.00 H new ATOM 0 HG12 VAL A 140 -4.572 7.172 -8.781 1.00 0.00 H new ATOM 0 HG13 VAL A 140 -4.116 7.303 -7.065 1.00 0.00 H new ATOM 0 HG21 VAL A 140 -5.093 10.227 -6.761 1.00 0.00 H new ATOM 0 HG22 VAL A 140 -3.534 9.645 -6.129 1.00 0.00 H new ATOM 0 HG23 VAL A 140 -3.581 11.032 -7.243 1.00 0.00 H new ATOM 223 N SER A 141 -2.025 11.231 -9.034 1.00 0.00 N ATOM 224 CA SER A 141 -1.605 12.362 -9.851 1.00 0.00 C ATOM 225 C SER A 141 -1.312 13.586 -8.985 1.00 0.00 C ATOM 226 O SER A 141 -1.221 13.486 -7.763 1.00 0.00 O ATOM 227 CB SER A 141 -2.682 12.699 -10.888 1.00 0.00 C ATOM 228 OG SER A 141 -3.854 11.929 -10.680 1.00 0.00 O ATOM 0 H SER A 141 -2.365 11.481 -8.105 1.00 0.00 H new ATOM 0 HA SER A 141 -0.688 12.081 -10.369 1.00 0.00 H new ATOM 0 HB2 SER A 141 -2.926 13.760 -10.831 1.00 0.00 H new ATOM 0 HB3 SER A 141 -2.296 12.514 -11.890 1.00 0.00 H new ATOM 0 HG SER A 141 -4.525 12.165 -11.354 1.00 0.00 H new ATOM 234 N GLY A 142 -1.165 14.738 -9.632 1.00 0.00 N ATOM 235 CA GLY A 142 -0.884 15.964 -8.909 1.00 0.00 C ATOM 236 C GLY A 142 0.593 16.134 -8.611 1.00 0.00 C ATOM 237 O GLY A 142 1.432 15.477 -9.229 1.00 0.00 O ATOM 0 H GLY A 142 -1.236 14.844 -10.644 1.00 0.00 H new ATOM 0 HA2 GLY A 142 -1.234 16.815 -9.493 1.00 0.00 H new ATOM 0 HA3 GLY A 142 -1.443 15.967 -7.973 1.00 0.00 H new ATOM 241 N PRO A 143 0.946 17.010 -7.657 1.00 0.00 N ATOM 242 CA PRO A 143 2.344 17.250 -7.285 1.00 0.00 C ATOM 243 C PRO A 143 3.002 16.012 -6.682 1.00 0.00 C ATOM 244 O PRO A 143 4.226 15.935 -6.580 1.00 0.00 O ATOM 245 CB PRO A 143 2.256 18.371 -6.243 1.00 0.00 C ATOM 246 CG PRO A 143 0.864 18.299 -5.717 1.00 0.00 C ATOM 247 CD PRO A 143 0.015 17.831 -6.865 1.00 0.00 C ATOM 0 HA PRO A 143 2.955 17.507 -8.150 1.00 0.00 H new ATOM 0 HB2 PRO A 143 2.987 18.228 -5.447 1.00 0.00 H new ATOM 0 HB3 PRO A 143 2.459 19.344 -6.691 1.00 0.00 H new ATOM 0 HG2 PRO A 143 0.799 17.609 -4.876 1.00 0.00 H new ATOM 0 HG3 PRO A 143 0.532 19.272 -5.356 1.00 0.00 H new ATOM 0 HD2 PRO A 143 -0.842 17.251 -6.522 1.00 0.00 H new ATOM 0 HD3 PRO A 143 -0.377 18.667 -7.444 1.00 0.00 H new ATOM 255 N PHE A 144 2.180 15.044 -6.284 1.00 0.00 N ATOM 256 CA PHE A 144 2.683 13.810 -5.691 1.00 0.00 C ATOM 257 C PHE A 144 2.607 12.652 -6.682 1.00 0.00 C ATOM 258 O PHE A 144 2.628 11.492 -6.283 1.00 0.00 O ATOM 259 CB PHE A 144 1.882 13.449 -4.436 1.00 0.00 C ATOM 260 CG PHE A 144 1.391 14.635 -3.657 1.00 0.00 C ATOM 261 CD1 PHE A 144 2.275 15.440 -2.958 1.00 0.00 C ATOM 262 CD2 PHE A 144 0.039 14.945 -3.626 1.00 0.00 C ATOM 263 CE1 PHE A 144 1.822 16.531 -2.240 1.00 0.00 C ATOM 264 CE2 PHE A 144 -0.419 16.034 -2.911 1.00 0.00 C ATOM 265 CZ PHE A 144 0.473 16.829 -2.218 1.00 0.00 C ATOM 0 H PHE A 144 1.164 15.091 -6.362 1.00 0.00 H new ATOM 0 HA PHE A 144 3.726 13.979 -5.422 1.00 0.00 H new ATOM 0 HB2 PHE A 144 1.026 12.840 -4.728 1.00 0.00 H new ATOM 0 HB3 PHE A 144 2.504 12.834 -3.786 1.00 0.00 H new ATOM 0 HD1 PHE A 144 3.331 15.213 -2.974 1.00 0.00 H new ATOM 0 HD2 PHE A 144 -0.663 14.328 -4.167 1.00 0.00 H new ATOM 0 HE1 PHE A 144 2.521 17.149 -1.697 1.00 0.00 H new ATOM 0 HE2 PHE A 144 -1.474 16.264 -2.894 1.00 0.00 H new ATOM 0 HZ PHE A 144 0.117 17.682 -1.660 1.00 0.00 H new ATOM 275 N ALA A 145 2.511 12.968 -7.971 1.00 0.00 N ATOM 276 CA ALA A 145 2.416 11.935 -9.002 1.00 0.00 C ATOM 277 C ALA A 145 3.779 11.345 -9.357 1.00 0.00 C ATOM 278 O ALA A 145 4.048 11.046 -10.521 1.00 0.00 O ATOM 279 CB ALA A 145 1.746 12.498 -10.246 1.00 0.00 C ATOM 0 H ALA A 145 2.497 13.924 -8.326 1.00 0.00 H new ATOM 0 HA ALA A 145 1.809 11.125 -8.597 1.00 0.00 H new ATOM 0 HB1 ALA A 145 1.680 11.721 -11.007 1.00 0.00 H new ATOM 0 HB2 ALA A 145 0.744 12.845 -9.994 1.00 0.00 H new ATOM 0 HB3 ALA A 145 2.333 13.333 -10.629 1.00 0.00 H new ATOM 285 N ASP A 146 4.630 11.168 -8.355 1.00 0.00 N ATOM 286 CA ASP A 146 5.954 10.597 -8.571 1.00 0.00 C ATOM 287 C ASP A 146 6.538 10.069 -7.270 1.00 0.00 C ATOM 288 O ASP A 146 7.751 10.103 -7.059 1.00 0.00 O ATOM 289 CB ASP A 146 6.893 11.633 -9.191 1.00 0.00 C ATOM 290 CG ASP A 146 8.110 10.998 -9.838 1.00 0.00 C ATOM 291 OD1 ASP A 146 8.014 10.597 -11.016 1.00 0.00 O ATOM 292 OD2 ASP A 146 9.158 10.902 -9.164 1.00 0.00 O ATOM 0 H ASP A 146 4.428 11.411 -7.385 1.00 0.00 H new ATOM 0 HA ASP A 146 5.850 9.762 -9.263 1.00 0.00 H new ATOM 0 HB2 ASP A 146 6.349 12.212 -9.937 1.00 0.00 H new ATOM 0 HB3 ASP A 146 7.218 12.332 -8.420 1.00 0.00 H new ATOM 297 N PHE A 147 5.666 9.582 -6.401 1.00 0.00 N ATOM 298 CA PHE A 147 6.083 9.041 -5.115 1.00 0.00 C ATOM 299 C PHE A 147 5.279 7.795 -4.769 1.00 0.00 C ATOM 300 O PHE A 147 4.205 7.564 -5.325 1.00 0.00 O ATOM 301 CB PHE A 147 5.914 10.090 -4.013 1.00 0.00 C ATOM 302 CG PHE A 147 6.473 11.438 -4.370 1.00 0.00 C ATOM 303 CD1 PHE A 147 7.791 11.572 -4.777 1.00 0.00 C ATOM 304 CD2 PHE A 147 5.680 12.572 -4.298 1.00 0.00 C ATOM 305 CE1 PHE A 147 8.307 12.811 -5.105 1.00 0.00 C ATOM 306 CE2 PHE A 147 6.190 13.814 -4.625 1.00 0.00 C ATOM 307 CZ PHE A 147 7.505 13.934 -5.029 1.00 0.00 C ATOM 0 H PHE A 147 4.660 9.550 -6.564 1.00 0.00 H new ATOM 0 HA PHE A 147 7.136 8.769 -5.188 1.00 0.00 H new ATOM 0 HB2 PHE A 147 4.854 10.196 -3.784 1.00 0.00 H new ATOM 0 HB3 PHE A 147 6.402 9.733 -3.106 1.00 0.00 H new ATOM 0 HD1 PHE A 147 8.422 10.698 -4.838 1.00 0.00 H new ATOM 0 HD2 PHE A 147 4.651 12.484 -3.982 1.00 0.00 H new ATOM 0 HE1 PHE A 147 9.336 12.902 -5.420 1.00 0.00 H new ATOM 0 HE2 PHE A 147 5.561 14.690 -4.565 1.00 0.00 H new ATOM 0 HZ PHE A 147 7.906 14.904 -5.285 1.00 0.00 H new ATOM 317 N THR A 148 5.801 6.997 -3.847 1.00 0.00 N ATOM 318 CA THR A 148 5.125 5.776 -3.428 1.00 0.00 C ATOM 319 C THR A 148 4.734 5.853 -1.955 1.00 0.00 C ATOM 320 O THR A 148 4.968 6.864 -1.294 1.00 0.00 O ATOM 321 CB THR A 148 6.021 4.560 -3.670 1.00 0.00 C ATOM 322 OG1 THR A 148 7.311 4.772 -3.124 1.00 0.00 O ATOM 323 CG2 THR A 148 6.193 4.226 -5.136 1.00 0.00 C ATOM 0 H THR A 148 6.688 7.172 -3.376 1.00 0.00 H new ATOM 0 HA THR A 148 4.218 5.669 -4.022 1.00 0.00 H new ATOM 0 HB THR A 148 5.516 3.727 -3.181 1.00 0.00 H new ATOM 0 HG1 THR A 148 7.869 3.983 -3.287 1.00 0.00 H new ATOM 0 HG21 THR A 148 6.839 3.354 -5.237 1.00 0.00 H new ATOM 0 HG22 THR A 148 5.220 4.009 -5.576 1.00 0.00 H new ATOM 0 HG23 THR A 148 6.644 5.074 -5.652 1.00 0.00 H new ATOM 331 N GLY A 149 4.137 4.780 -1.450 1.00 0.00 N ATOM 332 CA GLY A 149 3.724 4.751 -0.061 1.00 0.00 C ATOM 333 C GLY A 149 3.857 3.375 0.559 1.00 0.00 C ATOM 334 O GLY A 149 3.510 2.370 -0.061 1.00 0.00 O ATOM 0 H GLY A 149 3.932 3.931 -1.977 1.00 0.00 H new ATOM 0 HA2 GLY A 149 4.325 5.461 0.507 1.00 0.00 H new ATOM 0 HA3 GLY A 149 2.687 5.080 0.013 1.00 0.00 H new ATOM 338 N THR A 150 4.359 3.331 1.789 1.00 0.00 N ATOM 339 CA THR A 150 4.535 2.070 2.500 1.00 0.00 C ATOM 340 C THR A 150 3.313 1.761 3.358 1.00 0.00 C ATOM 341 O THR A 150 3.077 2.412 4.376 1.00 0.00 O ATOM 342 CB THR A 150 5.787 2.124 3.377 1.00 0.00 C ATOM 343 OG1 THR A 150 6.891 2.624 2.643 1.00 0.00 O ATOM 344 CG2 THR A 150 6.182 0.777 3.940 1.00 0.00 C ATOM 0 H THR A 150 4.651 4.155 2.314 1.00 0.00 H new ATOM 0 HA THR A 150 4.653 1.276 1.762 1.00 0.00 H new ATOM 0 HB THR A 150 5.531 2.784 4.206 1.00 0.00 H new ATOM 0 HG1 THR A 150 7.697 2.120 2.881 1.00 0.00 H new ATOM 0 HG21 THR A 150 7.077 0.887 4.552 1.00 0.00 H new ATOM 0 HG22 THR A 150 5.369 0.386 4.552 1.00 0.00 H new ATOM 0 HG23 THR A 150 6.384 0.086 3.122 1.00 0.00 H new ATOM 352 N VAL A 151 2.539 0.765 2.939 1.00 0.00 N ATOM 353 CA VAL A 151 1.340 0.372 3.669 1.00 0.00 C ATOM 354 C VAL A 151 1.694 -0.279 5.001 1.00 0.00 C ATOM 355 O VAL A 151 2.358 -1.316 5.041 1.00 0.00 O ATOM 356 CB VAL A 151 0.476 -0.603 2.847 1.00 0.00 C ATOM 357 CG1 VAL A 151 -0.864 -0.835 3.528 1.00 0.00 C ATOM 358 CG2 VAL A 151 0.280 -0.082 1.430 1.00 0.00 C ATOM 0 H VAL A 151 2.721 0.216 2.099 1.00 0.00 H new ATOM 0 HA VAL A 151 0.771 1.283 3.854 1.00 0.00 H new ATOM 0 HB VAL A 151 0.997 -1.558 2.788 1.00 0.00 H new ATOM 0 HG11 VAL A 151 -1.460 -1.526 2.932 1.00 0.00 H new ATOM 0 HG12 VAL A 151 -0.700 -1.258 4.519 1.00 0.00 H new ATOM 0 HG13 VAL A 151 -1.394 0.113 3.621 1.00 0.00 H new ATOM 0 HG21 VAL A 151 -0.333 -0.785 0.865 1.00 0.00 H new ATOM 0 HG22 VAL A 151 -0.218 0.887 1.464 1.00 0.00 H new ATOM 0 HG23 VAL A 151 1.250 0.025 0.944 1.00 0.00 H new ATOM 368 N THR A 152 1.246 0.335 6.092 1.00 0.00 N ATOM 369 CA THR A 152 1.514 -0.186 7.428 1.00 0.00 C ATOM 370 C THR A 152 0.277 -0.868 8.003 1.00 0.00 C ATOM 371 O THR A 152 0.381 -1.858 8.728 1.00 0.00 O ATOM 372 CB THR A 152 1.968 0.941 8.355 1.00 0.00 C ATOM 373 OG1 THR A 152 1.435 2.184 7.934 1.00 0.00 O ATOM 374 CG2 THR A 152 3.473 1.090 8.426 1.00 0.00 C ATOM 0 H THR A 152 0.696 1.194 6.077 1.00 0.00 H new ATOM 0 HA THR A 152 2.311 -0.926 7.351 1.00 0.00 H new ATOM 0 HB THR A 152 1.598 0.666 9.343 1.00 0.00 H new ATOM 0 HG1 THR A 152 1.965 2.914 8.318 1.00 0.00 H new ATOM 0 HG21 THR A 152 3.726 1.907 9.101 1.00 0.00 H new ATOM 0 HG22 THR A 152 3.913 0.164 8.796 1.00 0.00 H new ATOM 0 HG23 THR A 152 3.865 1.306 7.432 1.00 0.00 H new ATOM 382 N GLU A 153 -0.894 -0.331 7.676 1.00 0.00 N ATOM 383 CA GLU A 153 -2.153 -0.889 8.160 1.00 0.00 C ATOM 384 C GLU A 153 -3.283 -0.616 7.173 1.00 0.00 C ATOM 385 O GLU A 153 -3.189 0.287 6.341 1.00 0.00 O ATOM 386 CB GLU A 153 -2.500 -0.301 9.529 1.00 0.00 C ATOM 387 CG GLU A 153 -1.965 -1.118 10.694 1.00 0.00 C ATOM 388 CD GLU A 153 -2.884 -1.083 11.901 1.00 0.00 C ATOM 389 OE1 GLU A 153 -4.054 -1.496 11.768 1.00 0.00 O ATOM 390 OE2 GLU A 153 -2.431 -0.642 12.978 1.00 0.00 O ATOM 0 H GLU A 153 -0.998 0.489 7.078 1.00 0.00 H new ATOM 0 HA GLU A 153 -2.033 -1.968 8.256 1.00 0.00 H new ATOM 0 HB2 GLU A 153 -2.101 0.711 9.592 1.00 0.00 H new ATOM 0 HB3 GLU A 153 -3.584 -0.223 9.618 1.00 0.00 H new ATOM 0 HG2 GLU A 153 -1.828 -2.152 10.376 1.00 0.00 H new ATOM 0 HG3 GLU A 153 -0.983 -0.739 10.978 1.00 0.00 H new ATOM 397 N ILE A 154 -4.351 -1.400 7.272 1.00 0.00 N ATOM 398 CA ILE A 154 -5.499 -1.243 6.387 1.00 0.00 C ATOM 399 C ILE A 154 -6.808 -1.420 7.148 1.00 0.00 C ATOM 400 O ILE A 154 -6.919 -2.282 8.022 1.00 0.00 O ATOM 401 CB ILE A 154 -5.454 -2.252 5.224 1.00 0.00 C ATOM 402 CG1 ILE A 154 -4.086 -2.216 4.541 1.00 0.00 C ATOM 403 CG2 ILE A 154 -6.561 -1.956 4.221 1.00 0.00 C ATOM 404 CD1 ILE A 154 -3.114 -3.246 5.074 1.00 0.00 C ATOM 0 H ILE A 154 -4.445 -2.151 7.956 1.00 0.00 H new ATOM 0 HA ILE A 154 -5.451 -0.232 5.983 1.00 0.00 H new ATOM 0 HB ILE A 154 -5.613 -3.253 5.625 1.00 0.00 H new ATOM 0 HG12 ILE A 154 -4.220 -2.375 3.471 1.00 0.00 H new ATOM 0 HG13 ILE A 154 -3.654 -1.223 4.665 1.00 0.00 H new ATOM 0 HG21 ILE A 154 -6.516 -2.678 3.405 1.00 0.00 H new ATOM 0 HG22 ILE A 154 -7.529 -2.028 4.716 1.00 0.00 H new ATOM 0 HG23 ILE A 154 -6.432 -0.950 3.823 1.00 0.00 H new ATOM 0 HD11 ILE A 154 -2.166 -3.161 4.543 1.00 0.00 H new ATOM 0 HD12 ILE A 154 -2.950 -3.075 6.138 1.00 0.00 H new ATOM 0 HD13 ILE A 154 -3.525 -4.245 4.926 1.00 0.00 H new ATOM 416 N ASN A 155 -7.796 -0.598 6.814 1.00 0.00 N ATOM 417 CA ASN A 155 -9.100 -0.663 7.464 1.00 0.00 C ATOM 418 C ASN A 155 -10.127 -1.339 6.557 1.00 0.00 C ATOM 419 O ASN A 155 -10.773 -0.681 5.743 1.00 0.00 O ATOM 420 CB ASN A 155 -9.577 0.742 7.836 1.00 0.00 C ATOM 421 CG ASN A 155 -8.741 1.362 8.939 1.00 0.00 C ATOM 422 OD1 ASN A 155 -7.817 2.131 8.676 1.00 0.00 O ATOM 423 ND2 ASN A 155 -9.064 1.030 10.184 1.00 0.00 N ATOM 0 H ASN A 155 -7.719 0.122 6.096 1.00 0.00 H new ATOM 0 HA ASN A 155 -8.997 -1.257 8.372 1.00 0.00 H new ATOM 0 HB2 ASN A 155 -9.541 1.381 6.954 1.00 0.00 H new ATOM 0 HB3 ASN A 155 -10.618 0.697 8.155 1.00 0.00 H new ATOM 0 HD21 ASN A 155 -8.538 1.417 10.968 1.00 0.00 H new ATOM 0 HD22 ASN A 155 -9.838 0.388 10.356 1.00 0.00 H new ATOM 430 N PRO A 156 -10.291 -2.667 6.687 1.00 0.00 N ATOM 431 CA PRO A 156 -11.245 -3.428 5.872 1.00 0.00 C ATOM 432 C PRO A 156 -12.694 -3.105 6.226 1.00 0.00 C ATOM 433 O PRO A 156 -13.587 -3.218 5.386 1.00 0.00 O ATOM 434 CB PRO A 156 -10.924 -4.886 6.213 1.00 0.00 C ATOM 435 CG PRO A 156 -10.313 -4.832 7.569 1.00 0.00 C ATOM 436 CD PRO A 156 -9.560 -3.531 7.633 1.00 0.00 C ATOM 0 HA PRO A 156 -11.151 -3.195 4.811 1.00 0.00 H new ATOM 0 HB2 PRO A 156 -11.824 -5.501 6.209 1.00 0.00 H new ATOM 0 HB3 PRO A 156 -10.237 -5.321 5.486 1.00 0.00 H new ATOM 0 HG2 PRO A 156 -11.078 -4.878 8.344 1.00 0.00 H new ATOM 0 HG3 PRO A 156 -9.645 -5.678 7.730 1.00 0.00 H new ATOM 0 HD2 PRO A 156 -9.561 -3.115 8.641 1.00 0.00 H new ATOM 0 HD3 PRO A 156 -8.517 -3.655 7.341 1.00 0.00 H new ATOM 444 N GLU A 157 -12.920 -2.705 7.473 1.00 0.00 N ATOM 445 CA GLU A 157 -14.260 -2.367 7.936 1.00 0.00 C ATOM 446 C GLU A 157 -14.744 -1.068 7.298 1.00 0.00 C ATOM 447 O GLU A 157 -15.909 -0.948 6.919 1.00 0.00 O ATOM 448 CB GLU A 157 -14.279 -2.236 9.459 1.00 0.00 C ATOM 449 CG GLU A 157 -15.622 -2.579 10.082 1.00 0.00 C ATOM 450 CD GLU A 157 -15.498 -3.541 11.249 1.00 0.00 C ATOM 451 OE1 GLU A 157 -14.740 -4.526 11.128 1.00 0.00 O ATOM 452 OE2 GLU A 157 -16.158 -3.308 12.283 1.00 0.00 O ATOM 0 H GLU A 157 -12.192 -2.607 8.181 1.00 0.00 H new ATOM 0 HA GLU A 157 -14.933 -3.171 7.639 1.00 0.00 H new ATOM 0 HB2 GLU A 157 -13.515 -2.889 9.881 1.00 0.00 H new ATOM 0 HB3 GLU A 157 -14.012 -1.215 9.731 1.00 0.00 H new ATOM 0 HG2 GLU A 157 -16.105 -1.663 10.422 1.00 0.00 H new ATOM 0 HG3 GLU A 157 -16.269 -3.018 9.322 1.00 0.00 H new ATOM 459 N ARG A 158 -13.841 -0.100 7.184 1.00 0.00 N ATOM 460 CA ARG A 158 -14.175 1.192 6.593 1.00 0.00 C ATOM 461 C ARG A 158 -13.739 1.250 5.132 1.00 0.00 C ATOM 462 O ARG A 158 -14.566 1.397 4.232 1.00 0.00 O ATOM 463 CB ARG A 158 -13.512 2.322 7.380 1.00 0.00 C ATOM 464 CG ARG A 158 -14.352 2.826 8.542 1.00 0.00 C ATOM 465 CD ARG A 158 -15.591 3.559 8.056 1.00 0.00 C ATOM 466 NE ARG A 158 -16.732 3.360 8.949 1.00 0.00 N ATOM 467 CZ ARG A 158 -17.994 3.594 8.601 1.00 0.00 C ATOM 468 NH1 ARG A 158 -18.283 4.036 7.382 1.00 0.00 N ATOM 469 NH2 ARG A 158 -18.971 3.388 9.473 1.00 0.00 N ATOM 0 H ARG A 158 -12.873 -0.185 7.493 1.00 0.00 H new ATOM 0 HA ARG A 158 -15.257 1.315 6.636 1.00 0.00 H new ATOM 0 HB2 ARG A 158 -12.552 1.974 7.760 1.00 0.00 H new ATOM 0 HB3 ARG A 158 -13.306 3.152 6.704 1.00 0.00 H new ATOM 0 HG2 ARG A 158 -14.648 1.986 9.170 1.00 0.00 H new ATOM 0 HG3 ARG A 158 -13.754 3.493 9.163 1.00 0.00 H new ATOM 0 HD2 ARG A 158 -15.374 4.624 7.977 1.00 0.00 H new ATOM 0 HD3 ARG A 158 -15.849 3.211 7.056 1.00 0.00 H new ATOM 0 HE ARG A 158 -16.549 3.022 9.894 1.00 0.00 H new ATOM 0 HH11 ARG A 158 -17.535 4.198 6.707 1.00 0.00 H new ATOM 0 HH12 ARG A 158 -19.253 4.214 7.121 1.00 0.00 H new ATOM 0 HH21 ARG A 158 -18.755 3.050 10.411 1.00 0.00 H new ATOM 0 HH22 ARG A 158 -19.939 3.567 9.206 1.00 0.00 H new ATOM 483 N GLY A 159 -12.435 1.136 4.905 1.00 0.00 N ATOM 484 CA GLY A 159 -11.909 1.178 3.552 1.00 0.00 C ATOM 485 C GLY A 159 -10.833 2.232 3.381 1.00 0.00 C ATOM 486 O GLY A 159 -10.939 3.100 2.516 1.00 0.00 O ATOM 0 H GLY A 159 -11.732 1.015 5.634 1.00 0.00 H new ATOM 0 HA2 GLY A 159 -11.501 0.201 3.294 1.00 0.00 H new ATOM 0 HA3 GLY A 159 -12.723 1.378 2.855 1.00 0.00 H new ATOM 490 N LYS A 160 -9.798 2.156 4.210 1.00 0.00 N ATOM 491 CA LYS A 160 -8.698 3.113 4.148 1.00 0.00 C ATOM 492 C LYS A 160 -7.354 2.396 4.121 1.00 0.00 C ATOM 493 O LYS A 160 -7.270 1.199 4.396 1.00 0.00 O ATOM 494 CB LYS A 160 -8.756 4.066 5.343 1.00 0.00 C ATOM 495 CG LYS A 160 -9.718 5.227 5.151 1.00 0.00 C ATOM 496 CD LYS A 160 -9.140 6.526 5.690 1.00 0.00 C ATOM 497 CE LYS A 160 -10.194 7.620 5.761 1.00 0.00 C ATOM 498 NZ LYS A 160 -9.966 8.678 4.739 1.00 0.00 N ATOM 0 H LYS A 160 -9.697 1.443 4.932 1.00 0.00 H new ATOM 0 HA LYS A 160 -8.801 3.688 3.228 1.00 0.00 H new ATOM 0 HB2 LYS A 160 -9.050 3.505 6.230 1.00 0.00 H new ATOM 0 HB3 LYS A 160 -7.757 4.460 5.531 1.00 0.00 H new ATOM 0 HG2 LYS A 160 -9.945 5.341 4.091 1.00 0.00 H new ATOM 0 HG3 LYS A 160 -10.659 5.009 5.657 1.00 0.00 H new ATOM 0 HD2 LYS A 160 -8.724 6.356 6.683 1.00 0.00 H new ATOM 0 HD3 LYS A 160 -8.319 6.852 5.052 1.00 0.00 H new ATOM 0 HE2 LYS A 160 -11.182 7.182 5.616 1.00 0.00 H new ATOM 0 HE3 LYS A 160 -10.186 8.068 6.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 -10.706 9.405 4.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 -9.034 9.114 4.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 -9.999 8.256 3.789 1.00 0.00 H new ATOM 512 N VAL A 161 -6.301 3.136 3.788 1.00 0.00 N ATOM 513 CA VAL A 161 -4.957 2.572 3.728 1.00 0.00 C ATOM 514 C VAL A 161 -3.909 3.612 4.108 1.00 0.00 C ATOM 515 O VAL A 161 -3.750 4.625 3.430 1.00 0.00 O ATOM 516 CB VAL A 161 -4.635 2.029 2.323 1.00 0.00 C ATOM 517 CG1 VAL A 161 -5.310 0.685 2.102 1.00 0.00 C ATOM 518 CG2 VAL A 161 -5.049 3.027 1.252 1.00 0.00 C ATOM 0 H VAL A 161 -6.353 4.128 3.556 1.00 0.00 H new ATOM 0 HA VAL A 161 -4.928 1.749 4.442 1.00 0.00 H new ATOM 0 HB VAL A 161 -3.557 1.884 2.250 1.00 0.00 H new ATOM 0 HG11 VAL A 161 -5.071 0.317 1.104 1.00 0.00 H new ATOM 0 HG12 VAL A 161 -4.954 -0.028 2.846 1.00 0.00 H new ATOM 0 HG13 VAL A 161 -6.390 0.800 2.197 1.00 0.00 H new ATOM 0 HG21 VAL A 161 -4.812 2.623 0.268 1.00 0.00 H new ATOM 0 HG22 VAL A 161 -6.121 3.211 1.321 1.00 0.00 H new ATOM 0 HG23 VAL A 161 -4.510 3.963 1.399 1.00 0.00 H new ATOM 528 N LYS A 162 -3.194 3.351 5.198 1.00 0.00 N ATOM 529 CA LYS A 162 -2.159 4.262 5.668 1.00 0.00 C ATOM 530 C LYS A 162 -0.826 3.961 4.991 1.00 0.00 C ATOM 531 O LYS A 162 -0.308 2.848 5.089 1.00 0.00 O ATOM 532 CB LYS A 162 -2.008 4.160 7.186 1.00 0.00 C ATOM 533 CG LYS A 162 -1.059 5.195 7.770 1.00 0.00 C ATOM 534 CD LYS A 162 -1.153 5.241 9.287 1.00 0.00 C ATOM 535 CE LYS A 162 -0.086 4.375 9.937 1.00 0.00 C ATOM 536 NZ LYS A 162 0.071 4.678 11.386 1.00 0.00 N ATOM 0 H LYS A 162 -3.313 2.516 5.771 1.00 0.00 H new ATOM 0 HA LYS A 162 -2.459 5.278 5.410 1.00 0.00 H new ATOM 0 HB2 LYS A 162 -2.988 4.274 7.650 1.00 0.00 H new ATOM 0 HB3 LYS A 162 -1.649 3.163 7.442 1.00 0.00 H new ATOM 0 HG2 LYS A 162 -0.036 4.961 7.474 1.00 0.00 H new ATOM 0 HG3 LYS A 162 -1.292 6.177 7.360 1.00 0.00 H new ATOM 0 HD2 LYS A 162 -1.045 6.271 9.628 1.00 0.00 H new ATOM 0 HD3 LYS A 162 -2.140 4.902 9.602 1.00 0.00 H new ATOM 0 HE2 LYS A 162 -0.347 3.324 9.812 1.00 0.00 H new ATOM 0 HE3 LYS A 162 0.866 4.530 9.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 162 0.808 4.066 11.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 162 0.345 5.674 11.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 162 -0.830 4.506 11.876 1.00 0.00 H new ATOM 550 N VAL A 163 -0.277 4.955 4.304 1.00 0.00 N ATOM 551 CA VAL A 163 0.994 4.791 3.611 1.00 0.00 C ATOM 552 C VAL A 163 1.909 5.988 3.844 1.00 0.00 C ATOM 553 O VAL A 163 1.444 7.119 3.985 1.00 0.00 O ATOM 554 CB VAL A 163 0.788 4.604 2.096 1.00 0.00 C ATOM 555 CG1 VAL A 163 -0.011 3.340 1.818 1.00 0.00 C ATOM 556 CG2 VAL A 163 0.098 5.821 1.494 1.00 0.00 C ATOM 0 H VAL A 163 -0.692 5.882 4.212 1.00 0.00 H new ATOM 0 HA VAL A 163 1.462 3.896 4.020 1.00 0.00 H new ATOM 0 HB VAL A 163 1.766 4.500 1.626 1.00 0.00 H new ATOM 0 HG11 VAL A 163 -0.147 3.224 0.743 1.00 0.00 H new ATOM 0 HG12 VAL A 163 0.526 2.476 2.211 1.00 0.00 H new ATOM 0 HG13 VAL A 163 -0.986 3.412 2.301 1.00 0.00 H new ATOM 0 HG21 VAL A 163 -0.038 5.669 0.423 1.00 0.00 H new ATOM 0 HG22 VAL A 163 -0.874 5.960 1.968 1.00 0.00 H new ATOM 0 HG23 VAL A 163 0.712 6.706 1.660 1.00 0.00 H new ATOM 566 N MET A 164 3.213 5.730 3.888 1.00 0.00 N ATOM 567 CA MET A 164 4.193 6.788 4.106 1.00 0.00 C ATOM 568 C MET A 164 4.870 7.187 2.796 1.00 0.00 C ATOM 569 O MET A 164 5.525 6.368 2.151 1.00 0.00 O ATOM 570 CB MET A 164 5.242 6.338 5.129 1.00 0.00 C ATOM 571 CG MET A 164 6.259 5.351 4.578 1.00 0.00 C ATOM 572 SD MET A 164 7.013 4.337 5.866 1.00 0.00 S ATOM 573 CE MET A 164 8.673 4.148 5.221 1.00 0.00 C ATOM 0 H MET A 164 3.614 4.799 3.776 1.00 0.00 H new ATOM 0 HA MET A 164 3.669 7.660 4.497 1.00 0.00 H new ATOM 0 HB2 MET A 164 5.769 7.215 5.504 1.00 0.00 H new ATOM 0 HB3 MET A 164 4.734 5.884 5.980 1.00 0.00 H new ATOM 0 HG2 MET A 164 5.772 4.703 3.849 1.00 0.00 H new ATOM 0 HG3 MET A 164 7.039 5.897 4.048 1.00 0.00 H new ATOM 0 HE1 MET A 164 9.264 3.542 5.908 1.00 0.00 H new ATOM 0 HE2 MET A 164 8.632 3.657 4.249 1.00 0.00 H new ATOM 0 HE3 MET A 164 9.135 5.129 5.113 1.00 0.00 H new ATOM 583 N VAL A 165 4.705 8.448 2.409 1.00 0.00 N ATOM 584 CA VAL A 165 5.302 8.952 1.179 1.00 0.00 C ATOM 585 C VAL A 165 6.492 9.859 1.477 1.00 0.00 C ATOM 586 O VAL A 165 6.609 10.402 2.575 1.00 0.00 O ATOM 587 CB VAL A 165 4.279 9.731 0.328 1.00 0.00 C ATOM 588 CG1 VAL A 165 4.816 9.961 -1.075 1.00 0.00 C ATOM 589 CG2 VAL A 165 2.948 8.995 0.282 1.00 0.00 C ATOM 0 H VAL A 165 4.163 9.138 2.929 1.00 0.00 H new ATOM 0 HA VAL A 165 5.640 8.082 0.616 1.00 0.00 H new ATOM 0 HB VAL A 165 4.114 10.703 0.794 1.00 0.00 H new ATOM 0 HG11 VAL A 165 4.080 10.512 -1.660 1.00 0.00 H new ATOM 0 HG12 VAL A 165 5.741 10.535 -1.021 1.00 0.00 H new ATOM 0 HG13 VAL A 165 5.013 9.001 -1.551 1.00 0.00 H new ATOM 0 HG21 VAL A 165 2.240 9.561 -0.323 1.00 0.00 H new ATOM 0 HG22 VAL A 165 3.093 8.008 -0.157 1.00 0.00 H new ATOM 0 HG23 VAL A 165 2.556 8.888 1.294 1.00 0.00 H new ATOM 599 N THR A 166 7.370 10.018 0.493 1.00 0.00 N ATOM 600 CA THR A 166 8.550 10.861 0.654 1.00 0.00 C ATOM 601 C THR A 166 8.437 12.125 -0.193 1.00 0.00 C ATOM 602 O THR A 166 8.783 12.125 -1.375 1.00 0.00 O ATOM 603 CB THR A 166 9.811 10.085 0.269 1.00 0.00 C ATOM 604 OG1 THR A 166 9.503 9.046 -0.644 1.00 0.00 O ATOM 605 CG2 THR A 166 10.517 9.461 1.454 1.00 0.00 C ATOM 0 H THR A 166 7.288 9.576 -0.422 1.00 0.00 H new ATOM 0 HA THR A 166 8.617 11.154 1.702 1.00 0.00 H new ATOM 0 HB THR A 166 10.476 10.822 -0.182 1.00 0.00 H new ATOM 0 HG1 THR A 166 10.323 8.563 -0.879 1.00 0.00 H new ATOM 0 HG21 THR A 166 11.402 8.926 1.110 1.00 0.00 H new ATOM 0 HG22 THR A 166 10.814 10.243 2.153 1.00 0.00 H new ATOM 0 HG23 THR A 166 9.844 8.764 1.953 1.00 0.00 H new ATOM 613 N ILE A 167 7.956 13.200 0.420 1.00 0.00 N ATOM 614 CA ILE A 167 7.802 14.471 -0.277 1.00 0.00 C ATOM 615 C ILE A 167 8.774 15.514 0.268 1.00 0.00 C ATOM 616 O ILE A 167 8.955 15.636 1.479 1.00 0.00 O ATOM 617 CB ILE A 167 6.360 15.008 -0.160 1.00 0.00 C ATOM 618 CG1 ILE A 167 6.187 16.270 -1.008 1.00 0.00 C ATOM 619 CG2 ILE A 167 6.010 15.286 1.295 1.00 0.00 C ATOM 620 CD1 ILE A 167 5.626 16.001 -2.387 1.00 0.00 C ATOM 0 H ILE A 167 7.666 13.217 1.398 1.00 0.00 H new ATOM 0 HA ILE A 167 8.024 14.287 -1.328 1.00 0.00 H new ATOM 0 HB ILE A 167 5.677 14.247 -0.536 1.00 0.00 H new ATOM 0 HG12 ILE A 167 5.527 16.961 -0.485 1.00 0.00 H new ATOM 0 HG13 ILE A 167 7.153 16.766 -1.108 1.00 0.00 H new ATOM 0 HG21 ILE A 167 4.990 15.664 1.358 1.00 0.00 H new ATOM 0 HG22 ILE A 167 6.092 14.364 1.871 1.00 0.00 H new ATOM 0 HG23 ILE A 167 6.698 16.029 1.699 1.00 0.00 H new ATOM 0 HD11 ILE A 167 5.531 16.941 -2.931 1.00 0.00 H new ATOM 0 HD12 ILE A 167 6.297 15.335 -2.929 1.00 0.00 H new ATOM 0 HD13 ILE A 167 4.646 15.534 -2.296 1.00 0.00 H new ATOM 632 N PHE A 168 9.396 16.265 -0.636 1.00 0.00 N ATOM 633 CA PHE A 168 10.351 17.297 -0.247 1.00 0.00 C ATOM 634 C PHE A 168 11.535 16.690 0.500 1.00 0.00 C ATOM 635 O PHE A 168 12.139 17.337 1.356 1.00 0.00 O ATOM 636 CB PHE A 168 9.665 18.350 0.626 1.00 0.00 C ATOM 637 CG PHE A 168 10.052 19.760 0.281 1.00 0.00 C ATOM 638 CD1 PHE A 168 9.824 20.264 -0.990 1.00 0.00 C ATOM 639 CD2 PHE A 168 10.644 20.581 1.227 1.00 0.00 C ATOM 640 CE1 PHE A 168 10.179 21.560 -1.309 1.00 0.00 C ATOM 641 CE2 PHE A 168 11.002 21.879 0.913 1.00 0.00 C ATOM 642 CZ PHE A 168 10.768 22.369 -0.357 1.00 0.00 C ATOM 0 H PHE A 168 9.256 16.178 -1.643 1.00 0.00 H new ATOM 0 HA PHE A 168 10.725 17.773 -1.153 1.00 0.00 H new ATOM 0 HB2 PHE A 168 8.585 18.244 0.528 1.00 0.00 H new ATOM 0 HB3 PHE A 168 9.910 18.160 1.671 1.00 0.00 H new ATOM 0 HD1 PHE A 168 9.364 19.636 -1.739 1.00 0.00 H new ATOM 0 HD2 PHE A 168 10.828 20.203 2.222 1.00 0.00 H new ATOM 0 HE1 PHE A 168 9.996 21.941 -2.303 1.00 0.00 H new ATOM 0 HE2 PHE A 168 11.464 22.509 1.659 1.00 0.00 H new ATOM 0 HZ PHE A 168 11.045 23.383 -0.605 1.00 0.00 H new ATOM 652 N GLY A 169 11.863 15.446 0.168 1.00 0.00 N ATOM 653 CA GLY A 169 12.975 14.774 0.816 1.00 0.00 C ATOM 654 C GLY A 169 12.707 14.481 2.280 1.00 0.00 C ATOM 655 O GLY A 169 13.594 14.621 3.120 1.00 0.00 O ATOM 0 H GLY A 169 11.379 14.891 -0.538 1.00 0.00 H new ATOM 0 HA2 GLY A 169 13.184 13.840 0.295 1.00 0.00 H new ATOM 0 HA3 GLY A 169 13.868 15.393 0.731 1.00 0.00 H new ATOM 659 N ARG A 170 11.478 14.073 2.584 1.00 0.00 N ATOM 660 CA ARG A 170 11.097 13.758 3.956 1.00 0.00 C ATOM 661 C ARG A 170 9.857 12.871 3.988 1.00 0.00 C ATOM 662 O ARG A 170 8.925 13.062 3.206 1.00 0.00 O ATOM 663 CB ARG A 170 10.837 15.043 4.744 1.00 0.00 C ATOM 664 CG ARG A 170 10.816 14.840 6.250 1.00 0.00 C ATOM 665 CD ARG A 170 9.758 15.704 6.918 1.00 0.00 C ATOM 666 NE ARG A 170 8.999 14.962 7.921 1.00 0.00 N ATOM 667 CZ ARG A 170 8.276 15.538 8.880 1.00 0.00 C ATOM 668 NH1 ARG A 170 8.212 16.862 8.968 1.00 0.00 N ATOM 669 NH2 ARG A 170 7.615 14.790 9.751 1.00 0.00 N ATOM 0 H ARG A 170 10.731 13.953 1.900 1.00 0.00 H new ATOM 0 HA ARG A 170 11.922 13.216 4.418 1.00 0.00 H new ATOM 0 HB2 ARG A 170 11.606 15.774 4.495 1.00 0.00 H new ATOM 0 HB3 ARG A 170 9.883 15.465 4.429 1.00 0.00 H new ATOM 0 HG2 ARG A 170 10.623 13.791 6.473 1.00 0.00 H new ATOM 0 HG3 ARG A 170 11.796 15.079 6.663 1.00 0.00 H new ATOM 0 HD2 ARG A 170 10.236 16.564 7.388 1.00 0.00 H new ATOM 0 HD3 ARG A 170 9.076 16.092 6.161 1.00 0.00 H new ATOM 0 HE ARG A 170 9.024 13.943 7.885 1.00 0.00 H new ATOM 0 HH11 ARG A 170 8.718 17.443 8.299 1.00 0.00 H new ATOM 0 HH12 ARG A 170 7.657 17.298 9.704 1.00 0.00 H new ATOM 0 HH21 ARG A 170 7.660 13.773 9.687 1.00 0.00 H new ATOM 0 HH22 ARG A 170 7.061 15.231 10.485 1.00 0.00 H new ATOM 683 N GLU A 171 9.851 11.901 4.896 1.00 0.00 N ATOM 684 CA GLU A 171 8.726 10.983 5.028 1.00 0.00 C ATOM 685 C GLU A 171 7.468 11.728 5.468 1.00 0.00 C ATOM 686 O GLU A 171 7.546 12.749 6.153 1.00 0.00 O ATOM 687 CB GLU A 171 9.057 9.875 6.030 1.00 0.00 C ATOM 688 CG GLU A 171 9.190 8.502 5.394 1.00 0.00 C ATOM 689 CD GLU A 171 10.268 7.658 6.047 1.00 0.00 C ATOM 690 OE1 GLU A 171 9.949 6.937 7.017 1.00 0.00 O ATOM 691 OE2 GLU A 171 11.429 7.719 5.591 1.00 0.00 O ATOM 0 H GLU A 171 10.613 11.730 5.552 1.00 0.00 H new ATOM 0 HA GLU A 171 8.538 10.533 4.053 1.00 0.00 H new ATOM 0 HB2 GLU A 171 9.989 10.123 6.539 1.00 0.00 H new ATOM 0 HB3 GLU A 171 8.278 9.840 6.791 1.00 0.00 H new ATOM 0 HG2 GLU A 171 8.235 7.981 5.461 1.00 0.00 H new ATOM 0 HG3 GLU A 171 9.416 8.617 4.334 1.00 0.00 H new ATOM 698 N THR A 172 6.311 11.211 5.069 1.00 0.00 N ATOM 699 CA THR A 172 5.037 11.826 5.422 1.00 0.00 C ATOM 700 C THR A 172 3.916 10.789 5.448 1.00 0.00 C ATOM 701 O THR A 172 3.304 10.503 4.419 1.00 0.00 O ATOM 702 CB THR A 172 4.692 12.936 4.426 1.00 0.00 C ATOM 703 OG1 THR A 172 4.902 12.498 3.095 1.00 0.00 O ATOM 704 CG2 THR A 172 5.505 14.196 4.629 1.00 0.00 C ATOM 0 H THR A 172 6.229 10.368 4.501 1.00 0.00 H new ATOM 0 HA THR A 172 5.135 12.254 6.420 1.00 0.00 H new ATOM 0 HB THR A 172 3.642 13.168 4.604 1.00 0.00 H new ATOM 0 HG1 THR A 172 5.627 11.839 3.078 1.00 0.00 H new ATOM 0 HG21 THR A 172 5.211 14.942 3.891 1.00 0.00 H new ATOM 0 HG22 THR A 172 5.326 14.587 5.631 1.00 0.00 H new ATOM 0 HG23 THR A 172 6.564 13.968 4.512 1.00 0.00 H new ATOM 712 N PRO A 173 3.629 10.209 6.627 1.00 0.00 N ATOM 713 CA PRO A 173 2.573 9.203 6.772 1.00 0.00 C ATOM 714 C PRO A 173 1.186 9.792 6.540 1.00 0.00 C ATOM 715 O PRO A 173 0.517 10.222 7.479 1.00 0.00 O ATOM 716 CB PRO A 173 2.718 8.730 8.222 1.00 0.00 C ATOM 717 CG PRO A 173 3.397 9.856 8.923 1.00 0.00 C ATOM 718 CD PRO A 173 4.304 10.491 7.908 1.00 0.00 C ATOM 0 HA PRO A 173 2.672 8.400 6.041 1.00 0.00 H new ATOM 0 HB2 PRO A 173 1.747 8.515 8.667 1.00 0.00 H new ATOM 0 HB3 PRO A 173 3.306 7.814 8.283 1.00 0.00 H new ATOM 0 HG2 PRO A 173 2.670 10.575 9.300 1.00 0.00 H new ATOM 0 HG3 PRO A 173 3.964 9.496 9.781 1.00 0.00 H new ATOM 0 HD2 PRO A 173 4.412 11.562 8.079 1.00 0.00 H new ATOM 0 HD3 PRO A 173 5.305 10.061 7.938 1.00 0.00 H new ATOM 726 N VAL A 174 0.763 9.814 5.280 1.00 0.00 N ATOM 727 CA VAL A 174 -0.541 10.355 4.920 1.00 0.00 C ATOM 728 C VAL A 174 -1.555 9.243 4.677 1.00 0.00 C ATOM 729 O VAL A 174 -1.257 8.254 4.007 1.00 0.00 O ATOM 730 CB VAL A 174 -0.452 11.237 3.659 1.00 0.00 C ATOM 731 CG1 VAL A 174 -1.786 11.909 3.376 1.00 0.00 C ATOM 732 CG2 VAL A 174 0.654 12.273 3.808 1.00 0.00 C ATOM 0 H VAL A 174 1.306 9.463 4.491 1.00 0.00 H new ATOM 0 HA VAL A 174 -0.872 10.964 5.761 1.00 0.00 H new ATOM 0 HB VAL A 174 -0.209 10.597 2.811 1.00 0.00 H new ATOM 0 HG11 VAL A 174 -1.700 12.526 2.482 1.00 0.00 H new ATOM 0 HG12 VAL A 174 -2.551 11.148 3.219 1.00 0.00 H new ATOM 0 HG13 VAL A 174 -2.065 12.535 4.224 1.00 0.00 H new ATOM 0 HG21 VAL A 174 0.702 12.886 2.908 1.00 0.00 H new ATOM 0 HG22 VAL A 174 0.444 12.908 4.669 1.00 0.00 H new ATOM 0 HG23 VAL A 174 1.609 11.768 3.954 1.00 0.00 H new ATOM 742 N GLU A 175 -2.756 9.414 5.222 1.00 0.00 N ATOM 743 CA GLU A 175 -3.816 8.427 5.058 1.00 0.00 C ATOM 744 C GLU A 175 -4.521 8.615 3.719 1.00 0.00 C ATOM 745 O GLU A 175 -5.015 9.700 3.413 1.00 0.00 O ATOM 746 CB GLU A 175 -4.825 8.533 6.203 1.00 0.00 C ATOM 747 CG GLU A 175 -5.306 9.952 6.461 1.00 0.00 C ATOM 748 CD GLU A 175 -4.562 10.621 7.600 1.00 0.00 C ATOM 749 OE1 GLU A 175 -3.372 10.300 7.802 1.00 0.00 O ATOM 750 OE2 GLU A 175 -5.170 11.467 8.289 1.00 0.00 O ATOM 0 H GLU A 175 -3.018 10.226 5.780 1.00 0.00 H new ATOM 0 HA GLU A 175 -3.366 7.435 5.078 1.00 0.00 H new ATOM 0 HB2 GLU A 175 -5.685 7.902 5.978 1.00 0.00 H new ATOM 0 HB3 GLU A 175 -4.371 8.141 7.113 1.00 0.00 H new ATOM 0 HG2 GLU A 175 -5.183 10.544 5.554 1.00 0.00 H new ATOM 0 HG3 GLU A 175 -6.372 9.935 6.688 1.00 0.00 H new ATOM 757 N LEU A 176 -4.558 7.553 2.920 1.00 0.00 N ATOM 758 CA LEU A 176 -5.196 7.606 1.608 1.00 0.00 C ATOM 759 C LEU A 176 -6.115 6.418 1.395 1.00 0.00 C ATOM 760 O LEU A 176 -6.509 5.735 2.341 1.00 0.00 O ATOM 761 CB LEU A 176 -4.148 7.598 0.493 1.00 0.00 C ATOM 762 CG LEU A 176 -2.727 7.977 0.915 1.00 0.00 C ATOM 763 CD1 LEU A 176 -1.729 7.588 -0.166 1.00 0.00 C ATOM 764 CD2 LEU A 176 -2.640 9.466 1.211 1.00 0.00 C ATOM 0 H LEU A 176 -4.155 6.647 3.157 1.00 0.00 H new ATOM 0 HA LEU A 176 -5.774 8.530 1.575 1.00 0.00 H new ATOM 0 HB2 LEU A 176 -4.122 6.602 0.051 1.00 0.00 H new ATOM 0 HB3 LEU A 176 -4.471 8.286 -0.289 1.00 0.00 H new ATOM 0 HG LEU A 176 -2.479 7.430 1.825 1.00 0.00 H new ATOM 0 HD11 LEU A 176 -0.723 7.865 0.151 1.00 0.00 H new ATOM 0 HD12 LEU A 176 -1.774 6.512 -0.332 1.00 0.00 H new ATOM 0 HD13 LEU A 176 -1.974 8.109 -1.092 1.00 0.00 H new ATOM 0 HD21 LEU A 176 -1.623 9.719 1.510 1.00 0.00 H new ATOM 0 HD22 LEU A 176 -2.907 10.031 0.318 1.00 0.00 H new ATOM 0 HD23 LEU A 176 -3.328 9.717 2.018 1.00 0.00 H new ATOM 776 N ASP A 177 -6.423 6.162 0.129 1.00 0.00 N ATOM 777 CA ASP A 177 -7.258 5.046 -0.241 1.00 0.00 C ATOM 778 C ASP A 177 -6.873 4.538 -1.624 1.00 0.00 C ATOM 779 O ASP A 177 -6.313 5.275 -2.434 1.00 0.00 O ATOM 780 CB ASP A 177 -8.739 5.431 -0.208 1.00 0.00 C ATOM 781 CG ASP A 177 -9.085 6.317 0.974 1.00 0.00 C ATOM 782 OD1 ASP A 177 -8.986 5.839 2.124 1.00 0.00 O ATOM 783 OD2 ASP A 177 -9.453 7.488 0.749 1.00 0.00 O ATOM 0 H ASP A 177 -6.099 6.723 -0.659 1.00 0.00 H new ATOM 0 HA ASP A 177 -7.101 4.248 0.485 1.00 0.00 H new ATOM 0 HB2 ASP A 177 -8.997 5.948 -1.132 1.00 0.00 H new ATOM 0 HB3 ASP A 177 -9.345 4.526 -0.169 1.00 0.00 H new ATOM 788 N PHE A 178 -7.164 3.272 -1.881 1.00 0.00 N ATOM 789 CA PHE A 178 -6.844 2.643 -3.163 1.00 0.00 C ATOM 790 C PHE A 178 -7.246 3.527 -4.343 1.00 0.00 C ATOM 791 O PHE A 178 -6.632 3.468 -5.410 1.00 0.00 O ATOM 792 CB PHE A 178 -7.543 1.287 -3.272 1.00 0.00 C ATOM 793 CG PHE A 178 -6.861 0.197 -2.499 1.00 0.00 C ATOM 794 CD1 PHE A 178 -7.020 0.097 -1.127 1.00 0.00 C ATOM 795 CD2 PHE A 178 -6.060 -0.731 -3.146 1.00 0.00 C ATOM 796 CE1 PHE A 178 -6.394 -0.906 -0.413 1.00 0.00 C ATOM 797 CE2 PHE A 178 -5.430 -1.738 -2.437 1.00 0.00 C ATOM 798 CZ PHE A 178 -5.598 -1.825 -1.069 1.00 0.00 C ATOM 0 H PHE A 178 -7.625 2.652 -1.216 1.00 0.00 H new ATOM 0 HA PHE A 178 -5.764 2.503 -3.201 1.00 0.00 H new ATOM 0 HB2 PHE A 178 -8.569 1.386 -2.916 1.00 0.00 H new ATOM 0 HB3 PHE A 178 -7.596 0.998 -4.322 1.00 0.00 H new ATOM 0 HD1 PHE A 178 -7.641 0.812 -0.609 1.00 0.00 H new ATOM 0 HD2 PHE A 178 -5.926 -0.667 -4.216 1.00 0.00 H new ATOM 0 HE1 PHE A 178 -6.527 -0.972 0.657 1.00 0.00 H new ATOM 0 HE2 PHE A 178 -4.808 -2.455 -2.952 1.00 0.00 H new ATOM 0 HZ PHE A 178 -5.108 -2.610 -0.513 1.00 0.00 H new ATOM 808 N SER A 179 -8.277 4.344 -4.150 1.00 0.00 N ATOM 809 CA SER A 179 -8.758 5.233 -5.205 1.00 0.00 C ATOM 810 C SER A 179 -7.820 6.424 -5.414 1.00 0.00 C ATOM 811 O SER A 179 -8.016 7.221 -6.331 1.00 0.00 O ATOM 812 CB SER A 179 -10.165 5.734 -4.872 1.00 0.00 C ATOM 813 OG SER A 179 -11.140 4.750 -5.170 1.00 0.00 O ATOM 0 H SER A 179 -8.796 4.410 -3.274 1.00 0.00 H new ATOM 0 HA SER A 179 -8.784 4.659 -6.132 1.00 0.00 H new ATOM 0 HB2 SER A 179 -10.220 5.997 -3.816 1.00 0.00 H new ATOM 0 HB3 SER A 179 -10.375 6.642 -5.438 1.00 0.00 H new ATOM 0 HG SER A 179 -12.030 5.094 -4.947 1.00 0.00 H new ATOM 819 N GLN A 180 -6.806 6.545 -4.562 1.00 0.00 N ATOM 820 CA GLN A 180 -5.849 7.643 -4.661 1.00 0.00 C ATOM 821 C GLN A 180 -4.422 7.130 -4.859 1.00 0.00 C ATOM 822 O GLN A 180 -3.493 7.919 -5.045 1.00 0.00 O ATOM 823 CB GLN A 180 -5.916 8.513 -3.404 1.00 0.00 C ATOM 824 CG GLN A 180 -7.299 9.079 -3.128 1.00 0.00 C ATOM 825 CD GLN A 180 -7.643 10.247 -4.032 1.00 0.00 C ATOM 826 OE1 GLN A 180 -7.502 11.408 -3.646 1.00 0.00 O ATOM 827 NE2 GLN A 180 -8.096 9.945 -5.243 1.00 0.00 N ATOM 0 H GLN A 180 -6.626 5.897 -3.796 1.00 0.00 H new ATOM 0 HA GLN A 180 -6.117 8.239 -5.533 1.00 0.00 H new ATOM 0 HB2 GLN A 180 -5.597 7.922 -2.546 1.00 0.00 H new ATOM 0 HB3 GLN A 180 -5.209 9.337 -3.504 1.00 0.00 H new ATOM 0 HG2 GLN A 180 -8.042 8.292 -3.259 1.00 0.00 H new ATOM 0 HG3 GLN A 180 -7.355 9.401 -2.088 1.00 0.00 H new ATOM 0 HE21 GLN A 180 -8.197 8.969 -5.521 1.00 0.00 H new ATOM 0 HE22 GLN A 180 -8.343 10.689 -5.895 1.00 0.00 H new ATOM 836 N VAL A 181 -4.244 5.812 -4.820 1.00 0.00 N ATOM 837 CA VAL A 181 -2.923 5.216 -4.995 1.00 0.00 C ATOM 838 C VAL A 181 -2.912 4.229 -6.159 1.00 0.00 C ATOM 839 O VAL A 181 -3.939 3.992 -6.796 1.00 0.00 O ATOM 840 CB VAL A 181 -2.459 4.488 -3.721 1.00 0.00 C ATOM 841 CG1 VAL A 181 -2.056 5.490 -2.649 1.00 0.00 C ATOM 842 CG2 VAL A 181 -3.547 3.558 -3.209 1.00 0.00 C ATOM 0 H VAL A 181 -4.995 5.139 -4.669 1.00 0.00 H new ATOM 0 HA VAL A 181 -2.236 6.035 -5.208 1.00 0.00 H new ATOM 0 HB VAL A 181 -1.586 3.885 -3.969 1.00 0.00 H new ATOM 0 HG11 VAL A 181 -1.731 4.956 -1.756 1.00 0.00 H new ATOM 0 HG12 VAL A 181 -1.239 6.110 -3.019 1.00 0.00 H new ATOM 0 HG13 VAL A 181 -2.909 6.123 -2.403 1.00 0.00 H new ATOM 0 HG21 VAL A 181 -3.199 3.053 -2.308 1.00 0.00 H new ATOM 0 HG22 VAL A 181 -4.441 4.137 -2.978 1.00 0.00 H new ATOM 0 HG23 VAL A 181 -3.781 2.817 -3.973 1.00 0.00 H new ATOM 852 N VAL A 182 -1.743 3.659 -6.430 1.00 0.00 N ATOM 853 CA VAL A 182 -1.593 2.697 -7.516 1.00 0.00 C ATOM 854 C VAL A 182 -0.462 1.716 -7.229 1.00 0.00 C ATOM 855 O VAL A 182 0.537 2.071 -6.603 1.00 0.00 O ATOM 856 CB VAL A 182 -1.316 3.403 -8.858 1.00 0.00 C ATOM 857 CG1 VAL A 182 -2.502 4.263 -9.262 1.00 0.00 C ATOM 858 CG2 VAL A 182 -0.048 4.239 -8.770 1.00 0.00 C ATOM 0 H VAL A 182 -0.885 3.847 -5.912 1.00 0.00 H new ATOM 0 HA VAL A 182 -2.534 2.152 -7.588 1.00 0.00 H new ATOM 0 HB VAL A 182 -1.169 2.642 -9.625 1.00 0.00 H new ATOM 0 HG11 VAL A 182 -2.289 4.754 -10.212 1.00 0.00 H new ATOM 0 HG12 VAL A 182 -3.387 3.636 -9.368 1.00 0.00 H new ATOM 0 HG13 VAL A 182 -2.682 5.017 -8.496 1.00 0.00 H new ATOM 0 HG21 VAL A 182 0.131 4.730 -9.727 1.00 0.00 H new ATOM 0 HG22 VAL A 182 -0.163 4.993 -7.991 1.00 0.00 H new ATOM 0 HG23 VAL A 182 0.797 3.594 -8.529 1.00 0.00 H new ATOM 868 N LYS A 183 -0.623 0.480 -7.690 1.00 0.00 N ATOM 869 CA LYS A 183 0.389 -0.549 -7.479 1.00 0.00 C ATOM 870 C LYS A 183 1.661 -0.230 -8.258 1.00 0.00 C ATOM 871 O LYS A 183 1.624 -0.027 -9.471 1.00 0.00 O ATOM 872 CB LYS A 183 -0.151 -1.919 -7.900 1.00 0.00 C ATOM 873 CG LYS A 183 0.567 -3.084 -7.241 1.00 0.00 C ATOM 874 CD LYS A 183 0.140 -4.413 -7.843 1.00 0.00 C ATOM 875 CE LYS A 183 -0.905 -5.106 -6.981 1.00 0.00 C ATOM 876 NZ LYS A 183 -0.318 -6.223 -6.190 1.00 0.00 N ATOM 0 H LYS A 183 -1.442 0.167 -8.211 1.00 0.00 H new ATOM 0 HA LYS A 183 0.632 -0.572 -6.417 1.00 0.00 H new ATOM 0 HB2 LYS A 183 -1.212 -1.972 -7.657 1.00 0.00 H new ATOM 0 HB3 LYS A 183 -0.067 -2.016 -8.982 1.00 0.00 H new ATOM 0 HG2 LYS A 183 1.644 -2.961 -7.355 1.00 0.00 H new ATOM 0 HG3 LYS A 183 0.358 -3.084 -6.171 1.00 0.00 H new ATOM 0 HD2 LYS A 183 -0.263 -4.248 -8.842 1.00 0.00 H new ATOM 0 HD3 LYS A 183 1.010 -5.060 -7.953 1.00 0.00 H new ATOM 0 HE2 LYS A 183 -1.357 -4.381 -6.305 1.00 0.00 H new ATOM 0 HE3 LYS A 183 -1.703 -5.491 -7.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 183 -1.061 -6.670 -5.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 183 0.092 -6.928 -6.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 183 0.426 -5.852 -5.565 1.00 0.00 H new ATOM 890 N ALA A 184 2.786 -0.186 -7.551 1.00 0.00 N ATOM 891 CA ALA A 184 4.070 0.109 -8.177 1.00 0.00 C ATOM 892 C ALA A 184 4.947 -1.137 -8.245 1.00 0.00 C ATOM 893 O ALA A 184 5.416 -1.468 -9.354 1.00 0.00 O ATOM 894 CB ALA A 184 4.784 1.218 -7.418 1.00 0.00 C ATOM 895 OXT ALA A 184 5.158 -1.769 -7.188 1.00 0.00 O ATOM 0 H ALA A 184 2.834 -0.351 -6.546 1.00 0.00 H new ATOM 0 HA ALA A 184 3.881 0.444 -9.197 1.00 0.00 H new ATOM 0 HB1 ALA A 184 5.741 1.428 -7.896 1.00 0.00 H new ATOM 0 HB2 ALA A 184 4.169 2.118 -7.425 1.00 0.00 H new ATOM 0 HB3 ALA A 184 4.954 0.903 -6.388 1.00 0.00 H new TER 901 ALA A 184