USER MOD reduce.3.24.130724 H: found=0, std=0, add=449, rem=0, adj=10 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 136 GLN : amide:sc= 0.00229 X(o=-1.7,f=-1.7) USER MOD Set 1.2: A 150 THR OG1 : rot -59:sc= -0.766 USER MOD Set 1.3: A 164 MET CE :methyl -146:sc= -0.888 (180deg=-2.02!) USER MOD Single : A 128 GLN : amide:sc= -1.35 K(o=-1.4,f=-2) USER MOD Single : A 141 SER OG : rot 107:sc= -4.46! USER MOD Single : A 148 THR OG1 : rot 180:sc= 0 USER MOD Single : A 152 THR OG1 : rot 180:sc= 0 USER MOD Single : A 155 ASN :FLIP amide:sc= 0 F(o=-0.79,f=0) USER MOD Single : A 160 LYS NZ :NH3+ 157:sc= -0.188 (180deg=-0.691) USER MOD Single : A 162 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 166 THR OG1 : rot 180:sc= 0 USER MOD Single : A 172 THR OG1 : rot 180:sc= -0.196 USER MOD Single : A 179 SER OG : rot 180:sc= 0 USER MOD Single : A 180 GLN : amide:sc= -0.927 K(o=-0.93,f=-4.4!) USER MOD Single : A 183 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 127 -8.731 -10.379 5.632 1.00 0.00 N ATOM 2 CA ALA A 127 -8.737 -11.294 4.461 1.00 0.00 C ATOM 3 C ALA A 127 -8.794 -10.509 3.154 1.00 0.00 C ATOM 4 O ALA A 127 -9.822 -9.918 2.818 1.00 0.00 O ATOM 5 CB ALA A 127 -9.910 -12.256 4.550 1.00 0.00 C ATOM 0 HA ALA A 127 -7.810 -11.867 4.473 1.00 0.00 H new ATOM 0 HB1 ALA A 127 -9.902 -12.920 3.686 1.00 0.00 H new ATOM 0 HB2 ALA A 127 -9.828 -12.847 5.462 1.00 0.00 H new ATOM 0 HB3 ALA A 127 -10.843 -11.692 4.566 1.00 0.00 H new ATOM 13 N GLN A 128 -7.687 -10.507 2.421 1.00 0.00 N ATOM 14 CA GLN A 128 -7.610 -9.796 1.151 1.00 0.00 C ATOM 15 C GLN A 128 -6.723 -10.544 0.162 1.00 0.00 C ATOM 16 O GLN A 128 -5.868 -11.337 0.556 1.00 0.00 O ATOM 17 CB GLN A 128 -7.074 -8.381 1.366 1.00 0.00 C ATOM 18 CG GLN A 128 -8.128 -7.397 1.848 1.00 0.00 C ATOM 19 CD GLN A 128 -7.717 -5.953 1.637 1.00 0.00 C ATOM 20 OE1 GLN A 128 -6.641 -5.672 1.110 1.00 0.00 O ATOM 21 NE2 GLN A 128 -8.576 -5.027 2.051 1.00 0.00 N ATOM 0 H GLN A 128 -6.829 -10.991 2.685 1.00 0.00 H new ATOM 0 HA GLN A 128 -8.616 -9.736 0.736 1.00 0.00 H new ATOM 0 HB2 GLN A 128 -6.262 -8.416 2.093 1.00 0.00 H new ATOM 0 HB3 GLN A 128 -6.649 -8.016 0.431 1.00 0.00 H new ATOM 0 HG2 GLN A 128 -9.064 -7.585 1.321 1.00 0.00 H new ATOM 0 HG3 GLN A 128 -8.319 -7.565 2.908 1.00 0.00 H new ATOM 0 HE21 GLN A 128 -9.457 -5.305 2.483 1.00 0.00 H new ATOM 0 HE22 GLN A 128 -8.354 -4.038 1.937 1.00 0.00 H new ATOM 30 N VAL A 129 -6.932 -10.289 -1.125 1.00 0.00 N ATOM 31 CA VAL A 129 -6.150 -10.941 -2.170 1.00 0.00 C ATOM 32 C VAL A 129 -5.666 -9.933 -3.210 1.00 0.00 C ATOM 33 O VAL A 129 -5.386 -10.297 -4.352 1.00 0.00 O ATOM 34 CB VAL A 129 -6.965 -12.040 -2.877 1.00 0.00 C ATOM 35 CG1 VAL A 129 -7.105 -13.261 -1.983 1.00 0.00 C ATOM 36 CG2 VAL A 129 -8.330 -11.512 -3.287 1.00 0.00 C ATOM 0 H VAL A 129 -7.636 -9.636 -1.470 1.00 0.00 H new ATOM 0 HA VAL A 129 -5.288 -11.394 -1.681 1.00 0.00 H new ATOM 0 HB VAL A 129 -6.430 -12.339 -3.779 1.00 0.00 H new ATOM 0 HG11 VAL A 129 -7.684 -14.026 -2.500 1.00 0.00 H new ATOM 0 HG12 VAL A 129 -6.116 -13.653 -1.745 1.00 0.00 H new ATOM 0 HG13 VAL A 129 -7.616 -12.981 -1.062 1.00 0.00 H new ATOM 0 HG21 VAL A 129 -8.891 -12.303 -3.785 1.00 0.00 H new ATOM 0 HG22 VAL A 129 -8.874 -11.183 -2.401 1.00 0.00 H new ATOM 0 HG23 VAL A 129 -8.205 -10.671 -3.969 1.00 0.00 H new ATOM 46 N ALA A 130 -5.570 -8.669 -2.808 1.00 0.00 N ATOM 47 CA ALA A 130 -5.117 -7.616 -3.709 1.00 0.00 C ATOM 48 C ALA A 130 -3.603 -7.452 -3.644 1.00 0.00 C ATOM 49 O ALA A 130 -2.917 -7.506 -4.664 1.00 0.00 O ATOM 50 CB ALA A 130 -5.808 -6.303 -3.375 1.00 0.00 C ATOM 0 H ALA A 130 -5.799 -8.350 -1.867 1.00 0.00 H new ATOM 0 HA ALA A 130 -5.381 -7.904 -4.727 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -5.460 -5.526 -4.055 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -6.886 -6.422 -3.481 1.00 0.00 H new ATOM 0 HB3 ALA A 130 -5.573 -6.019 -2.349 1.00 0.00 H new ATOM 56 N PHE A 131 -3.088 -7.249 -2.435 1.00 0.00 N ATOM 57 CA PHE A 131 -1.654 -7.074 -2.234 1.00 0.00 C ATOM 58 C PHE A 131 -1.236 -7.557 -0.849 1.00 0.00 C ATOM 59 O PHE A 131 -2.062 -8.045 -0.076 1.00 0.00 O ATOM 60 CB PHE A 131 -1.267 -5.604 -2.411 1.00 0.00 C ATOM 61 CG PHE A 131 -2.197 -4.650 -1.718 1.00 0.00 C ATOM 62 CD1 PHE A 131 -2.323 -4.664 -0.338 1.00 0.00 C ATOM 63 CD2 PHE A 131 -2.945 -3.739 -2.446 1.00 0.00 C ATOM 64 CE1 PHE A 131 -3.177 -3.787 0.303 1.00 0.00 C ATOM 65 CE2 PHE A 131 -3.802 -2.861 -1.811 1.00 0.00 C ATOM 66 CZ PHE A 131 -3.918 -2.884 -0.436 1.00 0.00 C ATOM 0 H PHE A 131 -3.642 -7.202 -1.580 1.00 0.00 H new ATOM 0 HA PHE A 131 -1.133 -7.672 -2.982 1.00 0.00 H new ATOM 0 HB2 PHE A 131 -0.257 -5.455 -2.030 1.00 0.00 H new ATOM 0 HB3 PHE A 131 -1.245 -5.368 -3.475 1.00 0.00 H new ATOM 0 HD1 PHE A 131 -1.747 -5.369 0.243 1.00 0.00 H new ATOM 0 HD2 PHE A 131 -2.857 -3.715 -3.522 1.00 0.00 H new ATOM 0 HE1 PHE A 131 -3.265 -3.807 1.379 1.00 0.00 H new ATOM 0 HE2 PHE A 131 -4.381 -2.157 -2.390 1.00 0.00 H new ATOM 0 HZ PHE A 131 -4.587 -2.197 0.062 1.00 0.00 H new ATOM 76 N ARG A 132 0.048 -7.418 -0.541 1.00 0.00 N ATOM 77 CA ARG A 132 0.575 -7.841 0.752 1.00 0.00 C ATOM 78 C ARG A 132 0.986 -6.636 1.593 1.00 0.00 C ATOM 79 O ARG A 132 1.445 -5.624 1.062 1.00 0.00 O ATOM 80 CB ARG A 132 1.773 -8.773 0.557 1.00 0.00 C ATOM 81 CG ARG A 132 1.543 -9.846 -0.494 1.00 0.00 C ATOM 82 CD ARG A 132 2.839 -10.548 -0.867 1.00 0.00 C ATOM 83 NE ARG A 132 2.936 -10.792 -2.304 1.00 0.00 N ATOM 84 CZ ARG A 132 3.757 -11.686 -2.851 1.00 0.00 C ATOM 85 NH1 ARG A 132 4.552 -12.424 -2.087 1.00 0.00 N ATOM 86 NH2 ARG A 132 3.782 -11.844 -4.168 1.00 0.00 N ATOM 0 H ARG A 132 0.744 -7.016 -1.169 1.00 0.00 H new ATOM 0 HA ARG A 132 -0.213 -8.378 1.280 1.00 0.00 H new ATOM 0 HB2 ARG A 132 2.642 -8.179 0.274 1.00 0.00 H new ATOM 0 HB3 ARG A 132 2.009 -9.252 1.507 1.00 0.00 H new ATOM 0 HG2 ARG A 132 0.827 -10.577 -0.118 1.00 0.00 H new ATOM 0 HG3 ARG A 132 1.102 -9.397 -1.384 1.00 0.00 H new ATOM 0 HD2 ARG A 132 3.685 -9.942 -0.544 1.00 0.00 H new ATOM 0 HD3 ARG A 132 2.904 -11.496 -0.333 1.00 0.00 H new ATOM 0 HE ARG A 132 2.340 -10.245 -2.925 1.00 0.00 H new ATOM 0 HH11 ARG A 132 4.537 -12.308 -1.074 1.00 0.00 H new ATOM 0 HH12 ARG A 132 5.178 -13.107 -2.513 1.00 0.00 H new ATOM 0 HH21 ARG A 132 3.172 -11.281 -4.761 1.00 0.00 H new ATOM 0 HH22 ARG A 132 4.411 -12.529 -4.588 1.00 0.00 H new ATOM 100 N GLU A 133 0.818 -6.751 2.906 1.00 0.00 N ATOM 101 CA GLU A 133 1.171 -5.671 3.820 1.00 0.00 C ATOM 102 C GLU A 133 2.652 -5.324 3.705 1.00 0.00 C ATOM 103 O GLU A 133 3.498 -6.205 3.554 1.00 0.00 O ATOM 104 CB GLU A 133 0.837 -6.064 5.260 1.00 0.00 C ATOM 105 CG GLU A 133 1.599 -7.285 5.750 1.00 0.00 C ATOM 106 CD GLU A 133 1.458 -7.499 7.245 1.00 0.00 C ATOM 107 OE1 GLU A 133 0.335 -7.808 7.698 1.00 0.00 O ATOM 108 OE2 GLU A 133 2.469 -7.355 7.963 1.00 0.00 O ATOM 0 H GLU A 133 0.439 -7.582 3.361 1.00 0.00 H new ATOM 0 HA GLU A 133 0.588 -4.791 3.547 1.00 0.00 H new ATOM 0 HB2 GLU A 133 1.055 -5.222 5.917 1.00 0.00 H new ATOM 0 HB3 GLU A 133 -0.233 -6.259 5.336 1.00 0.00 H new ATOM 0 HG2 GLU A 133 1.238 -8.169 5.224 1.00 0.00 H new ATOM 0 HG3 GLU A 133 2.654 -7.175 5.500 1.00 0.00 H new ATOM 115 N GLY A 134 2.958 -4.032 3.777 1.00 0.00 N ATOM 116 CA GLY A 134 4.337 -3.590 3.676 1.00 0.00 C ATOM 117 C GLY A 134 4.751 -3.279 2.249 1.00 0.00 C ATOM 118 O GLY A 134 5.784 -2.652 2.021 1.00 0.00 O ATOM 0 H GLY A 134 2.276 -3.284 3.903 1.00 0.00 H new ATOM 0 HA2 GLY A 134 4.475 -2.701 4.292 1.00 0.00 H new ATOM 0 HA3 GLY A 134 4.992 -4.362 4.080 1.00 0.00 H new ATOM 122 N ASP A 135 3.943 -3.718 1.287 1.00 0.00 N ATOM 123 CA ASP A 135 4.236 -3.481 -0.121 1.00 0.00 C ATOM 124 C ASP A 135 4.277 -1.987 -0.426 1.00 0.00 C ATOM 125 O ASP A 135 3.972 -1.159 0.433 1.00 0.00 O ATOM 126 CB ASP A 135 3.189 -4.164 -1.004 1.00 0.00 C ATOM 127 CG ASP A 135 3.578 -5.582 -1.369 1.00 0.00 C ATOM 128 OD1 ASP A 135 4.743 -5.794 -1.765 1.00 0.00 O ATOM 129 OD2 ASP A 135 2.717 -6.481 -1.262 1.00 0.00 O ATOM 0 H ASP A 135 3.083 -4.238 1.458 1.00 0.00 H new ATOM 0 HA ASP A 135 5.217 -3.905 -0.337 1.00 0.00 H new ATOM 0 HB2 ASP A 135 2.231 -4.175 -0.484 1.00 0.00 H new ATOM 0 HB3 ASP A 135 3.051 -3.582 -1.915 1.00 0.00 H new ATOM 134 N GLN A 136 4.658 -1.651 -1.654 1.00 0.00 N ATOM 135 CA GLN A 136 4.743 -0.257 -2.074 1.00 0.00 C ATOM 136 C GLN A 136 3.689 0.058 -3.132 1.00 0.00 C ATOM 137 O GLN A 136 3.389 -0.770 -3.992 1.00 0.00 O ATOM 138 CB GLN A 136 6.137 0.050 -2.620 1.00 0.00 C ATOM 139 CG GLN A 136 7.239 -0.079 -1.581 1.00 0.00 C ATOM 140 CD GLN A 136 7.981 1.223 -1.351 1.00 0.00 C ATOM 141 OE1 GLN A 136 7.968 1.773 -0.249 1.00 0.00 O ATOM 142 NE2 GLN A 136 8.632 1.725 -2.395 1.00 0.00 N ATOM 0 H GLN A 136 4.913 -2.325 -2.376 1.00 0.00 H new ATOM 0 HA GLN A 136 4.556 0.370 -1.202 1.00 0.00 H new ATOM 0 HB2 GLN A 136 6.350 -0.625 -3.449 1.00 0.00 H new ATOM 0 HB3 GLN A 136 6.145 1.063 -3.023 1.00 0.00 H new ATOM 0 HG2 GLN A 136 6.807 -0.418 -0.639 1.00 0.00 H new ATOM 0 HG3 GLN A 136 7.946 -0.844 -1.901 1.00 0.00 H new ATOM 0 HE21 GLN A 136 8.616 1.235 -3.290 1.00 0.00 H new ATOM 0 HE22 GLN A 136 9.148 2.600 -2.302 1.00 0.00 H new ATOM 151 N VAL A 137 3.134 1.263 -3.063 1.00 0.00 N ATOM 152 CA VAL A 137 2.116 1.694 -4.011 1.00 0.00 C ATOM 153 C VAL A 137 2.320 3.152 -4.406 1.00 0.00 C ATOM 154 O VAL A 137 2.630 3.993 -3.563 1.00 0.00 O ATOM 155 CB VAL A 137 0.699 1.524 -3.430 1.00 0.00 C ATOM 156 CG1 VAL A 137 0.338 0.051 -3.319 1.00 0.00 C ATOM 157 CG2 VAL A 137 0.592 2.211 -2.077 1.00 0.00 C ATOM 0 H VAL A 137 3.374 1.960 -2.358 1.00 0.00 H new ATOM 0 HA VAL A 137 2.216 1.062 -4.894 1.00 0.00 H new ATOM 0 HB VAL A 137 -0.011 1.996 -4.109 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -0.666 -0.047 -2.907 1.00 0.00 H new ATOM 0 HG12 VAL A 137 0.371 -0.407 -4.307 1.00 0.00 H new ATOM 0 HG13 VAL A 137 1.050 -0.450 -2.663 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -0.415 2.081 -1.681 1.00 0.00 H new ATOM 0 HG22 VAL A 137 1.312 1.771 -1.387 1.00 0.00 H new ATOM 0 HG23 VAL A 137 0.802 3.274 -2.191 1.00 0.00 H new ATOM 167 N ARG A 138 2.144 3.449 -5.691 1.00 0.00 N ATOM 168 CA ARG A 138 2.311 4.809 -6.185 1.00 0.00 C ATOM 169 C ARG A 138 1.073 5.650 -5.895 1.00 0.00 C ATOM 170 O ARG A 138 0.018 5.120 -5.543 1.00 0.00 O ATOM 171 CB ARG A 138 2.599 4.809 -7.689 1.00 0.00 C ATOM 172 CG ARG A 138 3.784 5.681 -8.085 1.00 0.00 C ATOM 173 CD ARG A 138 4.445 5.182 -9.359 1.00 0.00 C ATOM 174 NE ARG A 138 4.400 6.181 -10.425 1.00 0.00 N ATOM 175 CZ ARG A 138 3.305 6.467 -11.128 1.00 0.00 C ATOM 176 NH1 ARG A 138 2.167 5.828 -10.884 1.00 0.00 N ATOM 177 NH2 ARG A 138 3.351 7.392 -12.076 1.00 0.00 N ATOM 0 H ARG A 138 1.887 2.768 -6.405 1.00 0.00 H new ATOM 0 HA ARG A 138 3.161 5.249 -5.664 1.00 0.00 H new ATOM 0 HB2 ARG A 138 2.787 3.786 -8.014 1.00 0.00 H new ATOM 0 HB3 ARG A 138 1.712 5.154 -8.220 1.00 0.00 H new ATOM 0 HG2 ARG A 138 3.449 6.709 -8.227 1.00 0.00 H new ATOM 0 HG3 ARG A 138 4.514 5.693 -7.276 1.00 0.00 H new ATOM 0 HD2 ARG A 138 5.482 4.920 -9.151 1.00 0.00 H new ATOM 0 HD3 ARG A 138 3.947 4.272 -9.693 1.00 0.00 H new ATOM 0 HE ARG A 138 5.257 6.689 -10.643 1.00 0.00 H new ATOM 0 HH11 ARG A 138 2.129 5.115 -10.156 1.00 0.00 H new ATOM 0 HH12 ARG A 138 1.331 6.050 -11.425 1.00 0.00 H new ATOM 0 HH21 ARG A 138 4.224 7.884 -12.267 1.00 0.00 H new ATOM 0 HH22 ARG A 138 2.513 7.612 -12.615 1.00 0.00 H new ATOM 191 N VAL A 139 1.213 6.960 -6.044 1.00 0.00 N ATOM 192 CA VAL A 139 0.111 7.884 -5.800 1.00 0.00 C ATOM 193 C VAL A 139 -0.842 7.923 -6.994 1.00 0.00 C ATOM 194 O VAL A 139 -0.540 7.381 -8.056 1.00 0.00 O ATOM 195 CB VAL A 139 0.631 9.308 -5.517 1.00 0.00 C ATOM 196 CG1 VAL A 139 -0.449 10.159 -4.868 1.00 0.00 C ATOM 197 CG2 VAL A 139 1.874 9.261 -4.639 1.00 0.00 C ATOM 0 H VAL A 139 2.082 7.409 -6.334 1.00 0.00 H new ATOM 0 HA VAL A 139 -0.426 7.523 -4.923 1.00 0.00 H new ATOM 0 HB VAL A 139 0.899 9.766 -6.469 1.00 0.00 H new ATOM 0 HG11 VAL A 139 -0.059 11.159 -4.678 1.00 0.00 H new ATOM 0 HG12 VAL A 139 -1.309 10.226 -5.534 1.00 0.00 H new ATOM 0 HG13 VAL A 139 -0.754 9.703 -3.926 1.00 0.00 H new ATOM 0 HG21 VAL A 139 2.225 10.276 -4.451 1.00 0.00 H new ATOM 0 HG22 VAL A 139 1.632 8.779 -3.692 1.00 0.00 H new ATOM 0 HG23 VAL A 139 2.656 8.694 -5.145 1.00 0.00 H new ATOM 207 N VAL A 140 -1.999 8.554 -6.809 1.00 0.00 N ATOM 208 CA VAL A 140 -2.994 8.645 -7.873 1.00 0.00 C ATOM 209 C VAL A 140 -2.645 9.740 -8.887 1.00 0.00 C ATOM 210 O VAL A 140 -2.377 9.445 -10.051 1.00 0.00 O ATOM 211 CB VAL A 140 -4.418 8.884 -7.306 1.00 0.00 C ATOM 212 CG1 VAL A 140 -4.422 9.981 -6.246 1.00 0.00 C ATOM 213 CG2 VAL A 140 -5.401 9.212 -8.422 1.00 0.00 C ATOM 0 H VAL A 140 -2.269 9.008 -5.936 1.00 0.00 H new ATOM 0 HA VAL A 140 -2.984 7.685 -8.389 1.00 0.00 H new ATOM 0 HB VAL A 140 -4.738 7.958 -6.828 1.00 0.00 H new ATOM 0 HG11 VAL A 140 -5.436 10.121 -5.871 1.00 0.00 H new ATOM 0 HG12 VAL A 140 -3.767 9.694 -5.423 1.00 0.00 H new ATOM 0 HG13 VAL A 140 -4.066 10.913 -6.685 1.00 0.00 H new ATOM 0 HG21 VAL A 140 -6.392 9.375 -7.998 1.00 0.00 H new ATOM 0 HG22 VAL A 140 -5.075 10.114 -8.940 1.00 0.00 H new ATOM 0 HG23 VAL A 140 -5.440 8.382 -9.128 1.00 0.00 H new ATOM 223 N SER A 141 -2.655 10.997 -8.451 1.00 0.00 N ATOM 224 CA SER A 141 -2.344 12.110 -9.342 1.00 0.00 C ATOM 225 C SER A 141 -1.951 13.355 -8.550 1.00 0.00 C ATOM 226 O SER A 141 -1.631 13.274 -7.364 1.00 0.00 O ATOM 227 CB SER A 141 -3.543 12.416 -10.246 1.00 0.00 C ATOM 228 OG SER A 141 -4.581 11.468 -10.062 1.00 0.00 O ATOM 0 H SER A 141 -2.874 11.269 -7.493 1.00 0.00 H new ATOM 0 HA SER A 141 -1.496 11.820 -9.962 1.00 0.00 H new ATOM 0 HB2 SER A 141 -3.918 13.416 -10.030 1.00 0.00 H new ATOM 0 HB3 SER A 141 -3.225 12.413 -11.289 1.00 0.00 H new ATOM 0 HG SER A 141 -5.319 11.883 -9.568 1.00 0.00 H new ATOM 234 N GLY A 142 -1.977 14.509 -9.216 1.00 0.00 N ATOM 235 CA GLY A 142 -1.624 15.754 -8.560 1.00 0.00 C ATOM 236 C GLY A 142 -0.123 15.940 -8.441 1.00 0.00 C ATOM 237 O GLY A 142 0.644 15.234 -9.097 1.00 0.00 O ATOM 0 H GLY A 142 -2.237 14.601 -10.198 1.00 0.00 H new ATOM 0 HA2 GLY A 142 -2.048 16.589 -9.119 1.00 0.00 H new ATOM 0 HA3 GLY A 142 -2.070 15.777 -7.566 1.00 0.00 H new ATOM 241 N PRO A 143 0.331 16.884 -7.601 1.00 0.00 N ATOM 242 CA PRO A 143 1.762 17.143 -7.406 1.00 0.00 C ATOM 243 C PRO A 143 2.494 15.929 -6.847 1.00 0.00 C ATOM 244 O PRO A 143 3.719 15.840 -6.921 1.00 0.00 O ATOM 245 CB PRO A 143 1.791 18.299 -6.398 1.00 0.00 C ATOM 246 CG PRO A 143 0.456 18.270 -5.735 1.00 0.00 C ATOM 247 CD PRO A 143 -0.507 17.766 -6.773 1.00 0.00 C ATOM 0 HA PRO A 143 2.264 17.375 -8.345 1.00 0.00 H new ATOM 0 HB2 PRO A 143 2.594 18.169 -5.673 1.00 0.00 H new ATOM 0 HB3 PRO A 143 1.963 19.253 -6.897 1.00 0.00 H new ATOM 0 HG2 PRO A 143 0.467 17.617 -4.862 1.00 0.00 H new ATOM 0 HG3 PRO A 143 0.171 19.263 -5.387 1.00 0.00 H new ATOM 0 HD2 PRO A 143 -1.340 17.226 -6.323 1.00 0.00 H new ATOM 0 HD3 PRO A 143 -0.935 18.581 -7.357 1.00 0.00 H new ATOM 255 N PHE A 144 1.734 14.992 -6.287 1.00 0.00 N ATOM 256 CA PHE A 144 2.308 13.780 -5.715 1.00 0.00 C ATOM 257 C PHE A 144 2.128 12.593 -6.657 1.00 0.00 C ATOM 258 O PHE A 144 2.160 11.445 -6.221 1.00 0.00 O ATOM 259 CB PHE A 144 1.655 13.459 -4.367 1.00 0.00 C ATOM 260 CG PHE A 144 1.244 14.671 -3.579 1.00 0.00 C ATOM 261 CD1 PHE A 144 2.183 15.416 -2.885 1.00 0.00 C ATOM 262 CD2 PHE A 144 -0.084 15.060 -3.534 1.00 0.00 C ATOM 263 CE1 PHE A 144 1.804 16.529 -2.160 1.00 0.00 C ATOM 264 CE2 PHE A 144 -0.469 16.171 -2.809 1.00 0.00 C ATOM 265 CZ PHE A 144 0.475 16.907 -2.121 1.00 0.00 C ATOM 0 H PHE A 144 0.718 15.050 -6.218 1.00 0.00 H new ATOM 0 HA PHE A 144 3.373 13.957 -5.568 1.00 0.00 H new ATOM 0 HB2 PHE A 144 0.777 12.837 -4.540 1.00 0.00 H new ATOM 0 HB3 PHE A 144 2.351 12.870 -3.770 1.00 0.00 H new ATOM 0 HD1 PHE A 144 3.222 15.124 -2.911 1.00 0.00 H new ATOM 0 HD2 PHE A 144 -0.827 14.489 -4.071 1.00 0.00 H new ATOM 0 HE1 PHE A 144 2.545 17.103 -1.624 1.00 0.00 H new ATOM 0 HE2 PHE A 144 -1.508 16.464 -2.780 1.00 0.00 H new ATOM 0 HZ PHE A 144 0.176 17.776 -1.554 1.00 0.00 H new ATOM 275 N ALA A 145 1.934 12.869 -7.942 1.00 0.00 N ATOM 276 CA ALA A 145 1.738 11.810 -8.929 1.00 0.00 C ATOM 277 C ALA A 145 3.062 11.228 -9.419 1.00 0.00 C ATOM 278 O ALA A 145 3.211 10.912 -10.600 1.00 0.00 O ATOM 279 CB ALA A 145 0.924 12.332 -10.103 1.00 0.00 C ATOM 0 H ALA A 145 1.908 13.814 -8.325 1.00 0.00 H new ATOM 0 HA ALA A 145 1.191 11.004 -8.440 1.00 0.00 H new ATOM 0 HB1 ALA A 145 0.784 11.534 -10.832 1.00 0.00 H new ATOM 0 HB2 ALA A 145 -0.048 12.674 -9.748 1.00 0.00 H new ATOM 0 HB3 ALA A 145 1.452 13.163 -10.571 1.00 0.00 H new ATOM 285 N ASP A 146 4.015 11.075 -8.508 1.00 0.00 N ATOM 286 CA ASP A 146 5.318 10.517 -8.853 1.00 0.00 C ATOM 287 C ASP A 146 6.037 10.014 -7.608 1.00 0.00 C ATOM 288 O ASP A 146 7.257 10.132 -7.491 1.00 0.00 O ATOM 289 CB ASP A 146 6.176 11.562 -9.570 1.00 0.00 C ATOM 290 CG ASP A 146 6.176 12.899 -8.856 1.00 0.00 C ATOM 291 OD1 ASP A 146 7.034 13.099 -7.969 1.00 0.00 O ATOM 292 OD2 ASP A 146 5.319 13.747 -9.183 1.00 0.00 O ATOM 0 H ASP A 146 3.911 11.329 -7.526 1.00 0.00 H new ATOM 0 HA ASP A 146 5.158 9.674 -9.525 1.00 0.00 H new ATOM 0 HB2 ASP A 146 7.199 11.195 -9.649 1.00 0.00 H new ATOM 0 HB3 ASP A 146 5.806 11.696 -10.587 1.00 0.00 H new ATOM 297 N PHE A 147 5.271 9.456 -6.681 1.00 0.00 N ATOM 298 CA PHE A 147 5.830 8.933 -5.440 1.00 0.00 C ATOM 299 C PHE A 147 5.130 7.642 -5.038 1.00 0.00 C ATOM 300 O PHE A 147 4.140 7.242 -5.652 1.00 0.00 O ATOM 301 CB PHE A 147 5.702 9.968 -4.323 1.00 0.00 C ATOM 302 CG PHE A 147 6.648 11.127 -4.466 1.00 0.00 C ATOM 303 CD1 PHE A 147 7.998 10.912 -4.691 1.00 0.00 C ATOM 304 CD2 PHE A 147 6.187 12.429 -4.374 1.00 0.00 C ATOM 305 CE1 PHE A 147 8.871 11.976 -4.823 1.00 0.00 C ATOM 306 CE2 PHE A 147 7.054 13.498 -4.505 1.00 0.00 C ATOM 307 CZ PHE A 147 8.398 13.270 -4.730 1.00 0.00 C ATOM 0 H PHE A 147 4.260 9.353 -6.764 1.00 0.00 H new ATOM 0 HA PHE A 147 6.886 8.719 -5.604 1.00 0.00 H new ATOM 0 HB2 PHE A 147 4.679 10.345 -4.303 1.00 0.00 H new ATOM 0 HB3 PHE A 147 5.880 9.480 -3.365 1.00 0.00 H new ATOM 0 HD1 PHE A 147 8.373 9.902 -4.764 1.00 0.00 H new ATOM 0 HD2 PHE A 147 5.137 12.612 -4.198 1.00 0.00 H new ATOM 0 HE1 PHE A 147 9.921 11.795 -4.999 1.00 0.00 H new ATOM 0 HE2 PHE A 147 6.681 14.509 -4.432 1.00 0.00 H new ATOM 0 HZ PHE A 147 9.078 14.103 -4.833 1.00 0.00 H new ATOM 317 N THR A 148 5.647 6.992 -4.001 1.00 0.00 N ATOM 318 CA THR A 148 5.069 5.745 -3.518 1.00 0.00 C ATOM 319 C THR A 148 4.732 5.838 -2.035 1.00 0.00 C ATOM 320 O THR A 148 5.100 6.804 -1.364 1.00 0.00 O ATOM 321 CB THR A 148 6.034 4.583 -3.765 1.00 0.00 C ATOM 322 OG1 THR A 148 6.989 4.924 -4.755 1.00 0.00 O ATOM 323 CG2 THR A 148 5.343 3.314 -4.214 1.00 0.00 C ATOM 0 H THR A 148 6.465 7.308 -3.480 1.00 0.00 H new ATOM 0 HA THR A 148 4.146 5.564 -4.068 1.00 0.00 H new ATOM 0 HB THR A 148 6.511 4.397 -2.803 1.00 0.00 H new ATOM 0 HG1 THR A 148 7.597 4.169 -4.897 1.00 0.00 H new ATOM 0 HG21 THR A 148 6.085 2.531 -4.371 1.00 0.00 H new ATOM 0 HG22 THR A 148 4.635 2.995 -3.449 1.00 0.00 H new ATOM 0 HG23 THR A 148 4.810 3.500 -5.146 1.00 0.00 H new ATOM 331 N GLY A 149 4.032 4.830 -1.528 1.00 0.00 N ATOM 332 CA GLY A 149 3.658 4.819 -0.128 1.00 0.00 C ATOM 333 C GLY A 149 3.846 3.458 0.512 1.00 0.00 C ATOM 334 O GLY A 149 3.490 2.435 -0.074 1.00 0.00 O ATOM 0 H GLY A 149 3.717 4.020 -2.062 1.00 0.00 H new ATOM 0 HA2 GLY A 149 4.255 5.556 0.410 1.00 0.00 H new ATOM 0 HA3 GLY A 149 2.615 5.122 -0.031 1.00 0.00 H new ATOM 338 N THR A 150 4.406 3.445 1.717 1.00 0.00 N ATOM 339 CA THR A 150 4.640 2.199 2.437 1.00 0.00 C ATOM 340 C THR A 150 3.432 1.832 3.291 1.00 0.00 C ATOM 341 O THR A 150 3.236 2.380 4.376 1.00 0.00 O ATOM 342 CB THR A 150 5.884 2.325 3.319 1.00 0.00 C ATOM 343 OG1 THR A 150 6.900 3.053 2.653 1.00 0.00 O ATOM 344 CG2 THR A 150 6.466 0.989 3.725 1.00 0.00 C ATOM 0 H THR A 150 4.706 4.283 2.215 1.00 0.00 H new ATOM 0 HA THR A 150 4.799 1.407 1.705 1.00 0.00 H new ATOM 0 HB THR A 150 5.551 2.846 4.217 1.00 0.00 H new ATOM 0 HG1 THR A 150 7.139 2.594 1.821 1.00 0.00 H new ATOM 0 HG21 THR A 150 7.345 1.150 4.349 1.00 0.00 H new ATOM 0 HG22 THR A 150 5.722 0.423 4.286 1.00 0.00 H new ATOM 0 HG23 THR A 150 6.751 0.430 2.834 1.00 0.00 H new ATOM 352 N VAL A 151 2.622 0.902 2.793 1.00 0.00 N ATOM 353 CA VAL A 151 1.430 0.462 3.510 1.00 0.00 C ATOM 354 C VAL A 151 1.786 -0.103 4.880 1.00 0.00 C ATOM 355 O VAL A 151 2.457 -1.131 4.984 1.00 0.00 O ATOM 356 CB VAL A 151 0.656 -0.605 2.714 1.00 0.00 C ATOM 357 CG1 VAL A 151 -0.680 -0.904 3.377 1.00 0.00 C ATOM 358 CG2 VAL A 151 0.457 -0.159 1.274 1.00 0.00 C ATOM 0 H VAL A 151 2.770 0.439 1.896 1.00 0.00 H new ATOM 0 HA VAL A 151 0.798 1.341 3.636 1.00 0.00 H new ATOM 0 HB VAL A 151 1.244 -1.522 2.707 1.00 0.00 H new ATOM 0 HG11 VAL A 151 -1.212 -1.660 2.799 1.00 0.00 H new ATOM 0 HG12 VAL A 151 -0.510 -1.273 4.388 1.00 0.00 H new ATOM 0 HG13 VAL A 151 -1.277 0.007 3.419 1.00 0.00 H new ATOM 0 HG21 VAL A 151 -0.092 -0.926 0.728 1.00 0.00 H new ATOM 0 HG22 VAL A 151 -0.108 0.773 1.257 1.00 0.00 H new ATOM 0 HG23 VAL A 151 1.428 -0.003 0.804 1.00 0.00 H new ATOM 368 N THR A 152 1.332 0.573 5.929 1.00 0.00 N ATOM 369 CA THR A 152 1.601 0.139 7.295 1.00 0.00 C ATOM 370 C THR A 152 0.381 -0.552 7.895 1.00 0.00 C ATOM 371 O THR A 152 0.511 -1.464 8.711 1.00 0.00 O ATOM 372 CB THR A 152 2.007 1.331 8.163 1.00 0.00 C ATOM 373 OG1 THR A 152 0.993 2.321 8.162 1.00 0.00 O ATOM 374 CG2 THR A 152 3.291 1.991 7.711 1.00 0.00 C ATOM 0 H THR A 152 0.775 1.425 5.860 1.00 0.00 H new ATOM 0 HA THR A 152 2.424 -0.575 7.267 1.00 0.00 H new ATOM 0 HB THR A 152 2.159 0.922 9.162 1.00 0.00 H new ATOM 0 HG1 THR A 152 1.271 3.074 8.724 1.00 0.00 H new ATOM 0 HG21 THR A 152 3.521 2.829 8.370 1.00 0.00 H new ATOM 0 HG22 THR A 152 4.105 1.267 7.747 1.00 0.00 H new ATOM 0 HG23 THR A 152 3.174 2.354 6.690 1.00 0.00 H new ATOM 382 N GLU A 153 -0.804 -0.110 7.485 1.00 0.00 N ATOM 383 CA GLU A 153 -2.048 -0.687 7.982 1.00 0.00 C ATOM 384 C GLU A 153 -3.162 -0.553 6.949 1.00 0.00 C ATOM 385 O GLU A 153 -3.086 0.274 6.040 1.00 0.00 O ATOM 386 CB GLU A 153 -2.462 -0.006 9.288 1.00 0.00 C ATOM 387 CG GLU A 153 -1.897 -0.677 10.529 1.00 0.00 C ATOM 388 CD GLU A 153 -2.641 -0.290 11.792 1.00 0.00 C ATOM 389 OE1 GLU A 153 -3.280 0.784 11.798 1.00 0.00 O ATOM 390 OE2 GLU A 153 -2.584 -1.059 12.774 1.00 0.00 O ATOM 0 H GLU A 153 -0.929 0.645 6.811 1.00 0.00 H new ATOM 0 HA GLU A 153 -1.879 -1.747 8.170 1.00 0.00 H new ATOM 0 HB2 GLU A 153 -2.134 1.033 9.266 1.00 0.00 H new ATOM 0 HB3 GLU A 153 -3.550 0.004 9.354 1.00 0.00 H new ATOM 0 HG2 GLU A 153 -1.940 -1.759 10.404 1.00 0.00 H new ATOM 0 HG3 GLU A 153 -0.846 -0.410 10.635 1.00 0.00 H new ATOM 397 N ILE A 154 -4.198 -1.373 7.096 1.00 0.00 N ATOM 398 CA ILE A 154 -5.331 -1.348 6.178 1.00 0.00 C ATOM 399 C ILE A 154 -6.653 -1.352 6.939 1.00 0.00 C ATOM 400 O ILE A 154 -6.769 -1.968 7.998 1.00 0.00 O ATOM 401 CB ILE A 154 -5.303 -2.551 5.216 1.00 0.00 C ATOM 402 CG1 ILE A 154 -5.101 -3.851 5.995 1.00 0.00 C ATOM 403 CG2 ILE A 154 -4.205 -2.373 4.178 1.00 0.00 C ATOM 404 CD1 ILE A 154 -5.652 -5.071 5.288 1.00 0.00 C ATOM 0 H ILE A 154 -4.276 -2.063 7.843 1.00 0.00 H new ATOM 0 HA ILE A 154 -5.249 -0.428 5.599 1.00 0.00 H new ATOM 0 HB ILE A 154 -6.261 -2.606 4.698 1.00 0.00 H new ATOM 0 HG12 ILE A 154 -4.036 -3.996 6.175 1.00 0.00 H new ATOM 0 HG13 ILE A 154 -5.579 -3.759 6.970 1.00 0.00 H new ATOM 0 HG21 ILE A 154 -4.198 -3.231 3.505 1.00 0.00 H new ATOM 0 HG22 ILE A 154 -4.390 -1.464 3.605 1.00 0.00 H new ATOM 0 HG23 ILE A 154 -3.240 -2.296 4.679 1.00 0.00 H new ATOM 0 HD11 ILE A 154 -5.474 -5.957 5.898 1.00 0.00 H new ATOM 0 HD12 ILE A 154 -6.724 -4.948 5.132 1.00 0.00 H new ATOM 0 HD13 ILE A 154 -5.156 -5.188 4.324 1.00 0.00 H new ATOM 416 N ASN A 155 -7.648 -0.661 6.392 1.00 0.00 N ATOM 417 CA ASN A 155 -8.962 -0.585 7.020 1.00 0.00 C ATOM 418 C ASN A 155 -10.067 -0.912 6.017 1.00 0.00 C ATOM 419 O ASN A 155 -10.807 -0.028 5.584 1.00 0.00 O ATOM 420 CB ASN A 155 -9.185 0.808 7.614 1.00 0.00 C ATOM 421 CG ASN A 155 -9.945 0.762 8.925 1.00 0.00 C ATOM 422 OD1 ASN A 155 -11.218 1.134 8.883 1.00 0.00 O flip ATOM 423 ND2 ASN A 155 -9.394 0.396 9.963 1.00 0.00 N flip ATOM 0 H ASN A 155 -7.569 -0.146 5.515 1.00 0.00 H new ATOM 0 HA ASN A 155 -8.999 -1.323 7.821 1.00 0.00 H new ATOM 0 HB2 ASN A 155 -8.221 1.291 7.773 1.00 0.00 H new ATOM 0 HB3 ASN A 155 -9.735 1.421 6.900 1.00 0.00 H new ATOM 0 HD21 ASN A 155 -8.413 0.119 9.949 1.00 0.00 H new ATOM 0 HD22 ASN A 155 -9.919 0.370 10.837 1.00 0.00 H new ATOM 430 N PRO A 156 -10.193 -2.194 5.632 1.00 0.00 N ATOM 431 CA PRO A 156 -11.212 -2.635 4.675 1.00 0.00 C ATOM 432 C PRO A 156 -12.628 -2.331 5.155 1.00 0.00 C ATOM 433 O PRO A 156 -13.536 -2.125 4.351 1.00 0.00 O ATOM 434 CB PRO A 156 -10.996 -4.151 4.584 1.00 0.00 C ATOM 435 CG PRO A 156 -9.607 -4.375 5.071 1.00 0.00 C ATOM 436 CD PRO A 156 -9.353 -3.310 6.098 1.00 0.00 C ATOM 0 HA PRO A 156 -11.115 -2.121 3.719 1.00 0.00 H new ATOM 0 HB2 PRO A 156 -11.720 -4.690 5.196 1.00 0.00 H new ATOM 0 HB3 PRO A 156 -11.117 -4.506 3.560 1.00 0.00 H new ATOM 0 HG2 PRO A 156 -9.501 -5.369 5.505 1.00 0.00 H new ATOM 0 HG3 PRO A 156 -8.891 -4.307 4.252 1.00 0.00 H new ATOM 0 HD2 PRO A 156 -9.636 -3.638 7.098 1.00 0.00 H new ATOM 0 HD3 PRO A 156 -8.300 -3.032 6.140 1.00 0.00 H new ATOM 444 N GLU A 157 -12.807 -2.306 6.473 1.00 0.00 N ATOM 445 CA GLU A 157 -14.112 -2.029 7.063 1.00 0.00 C ATOM 446 C GLU A 157 -14.641 -0.673 6.605 1.00 0.00 C ATOM 447 O GLU A 157 -15.768 -0.568 6.120 1.00 0.00 O ATOM 448 CB GLU A 157 -14.023 -2.066 8.589 1.00 0.00 C ATOM 449 CG GLU A 157 -14.180 -3.459 9.175 1.00 0.00 C ATOM 450 CD GLU A 157 -12.866 -4.043 9.654 1.00 0.00 C ATOM 451 OE1 GLU A 157 -12.065 -4.481 8.801 1.00 0.00 O ATOM 452 OE2 GLU A 157 -12.636 -4.060 10.882 1.00 0.00 O ATOM 0 H GLU A 157 -12.065 -2.474 7.152 1.00 0.00 H new ATOM 0 HA GLU A 157 -14.805 -2.800 6.727 1.00 0.00 H new ATOM 0 HB2 GLU A 157 -13.061 -1.657 8.898 1.00 0.00 H new ATOM 0 HB3 GLU A 157 -14.794 -1.417 9.005 1.00 0.00 H new ATOM 0 HG2 GLU A 157 -14.882 -3.421 10.008 1.00 0.00 H new ATOM 0 HG3 GLU A 157 -14.613 -4.118 8.423 1.00 0.00 H new ATOM 459 N ARG A 158 -13.824 0.361 6.764 1.00 0.00 N ATOM 460 CA ARG A 158 -14.211 1.711 6.367 1.00 0.00 C ATOM 461 C ARG A 158 -13.797 1.994 4.927 1.00 0.00 C ATOM 462 O ARG A 158 -14.531 2.634 4.174 1.00 0.00 O ATOM 463 CB ARG A 158 -13.580 2.741 7.305 1.00 0.00 C ATOM 464 CG ARG A 158 -14.339 4.057 7.361 1.00 0.00 C ATOM 465 CD ARG A 158 -15.570 3.955 8.246 1.00 0.00 C ATOM 466 NE ARG A 158 -16.800 3.869 7.463 1.00 0.00 N ATOM 467 CZ ARG A 158 -18.011 4.119 7.955 1.00 0.00 C ATOM 468 NH1 ARG A 158 -18.160 4.469 9.227 1.00 0.00 N ATOM 469 NH2 ARG A 158 -19.078 4.019 7.173 1.00 0.00 N ATOM 0 H ARG A 158 -12.889 0.291 7.165 1.00 0.00 H new ATOM 0 HA ARG A 158 -15.296 1.786 6.434 1.00 0.00 H new ATOM 0 HB2 ARG A 158 -13.524 2.320 8.309 1.00 0.00 H new ATOM 0 HB3 ARG A 158 -12.557 2.935 6.983 1.00 0.00 H new ATOM 0 HG2 ARG A 158 -13.682 4.841 7.739 1.00 0.00 H new ATOM 0 HG3 ARG A 158 -14.637 4.349 6.354 1.00 0.00 H new ATOM 0 HD2 ARG A 158 -15.485 3.077 8.886 1.00 0.00 H new ATOM 0 HD3 ARG A 158 -15.618 4.824 8.902 1.00 0.00 H new ATOM 0 HE ARG A 158 -16.726 3.602 6.481 1.00 0.00 H new ATOM 0 HH11 ARG A 158 -17.344 4.548 9.833 1.00 0.00 H new ATOM 0 HH12 ARG A 158 -19.091 4.659 9.598 1.00 0.00 H new ATOM 0 HH21 ARG A 158 -18.970 3.751 6.195 1.00 0.00 H new ATOM 0 HH22 ARG A 158 -20.006 4.211 7.550 1.00 0.00 H new ATOM 483 N GLY A 159 -12.617 1.514 4.550 1.00 0.00 N ATOM 484 CA GLY A 159 -12.127 1.726 3.200 1.00 0.00 C ATOM 485 C GLY A 159 -11.020 2.761 3.142 1.00 0.00 C ATOM 486 O GLY A 159 -10.990 3.598 2.240 1.00 0.00 O ATOM 0 H GLY A 159 -11.991 0.982 5.155 1.00 0.00 H new ATOM 0 HA2 GLY A 159 -11.759 0.782 2.798 1.00 0.00 H new ATOM 0 HA3 GLY A 159 -12.952 2.044 2.563 1.00 0.00 H new ATOM 490 N LYS A 160 -10.105 2.702 4.105 1.00 0.00 N ATOM 491 CA LYS A 160 -8.991 3.640 4.159 1.00 0.00 C ATOM 492 C LYS A 160 -7.671 2.902 4.358 1.00 0.00 C ATOM 493 O LYS A 160 -7.650 1.765 4.830 1.00 0.00 O ATOM 494 CB LYS A 160 -9.201 4.649 5.289 1.00 0.00 C ATOM 495 CG LYS A 160 -10.341 5.622 5.033 1.00 0.00 C ATOM 496 CD LYS A 160 -10.108 6.951 5.733 1.00 0.00 C ATOM 497 CE LYS A 160 -11.372 7.795 5.764 1.00 0.00 C ATOM 498 NZ LYS A 160 -12.483 7.106 6.478 1.00 0.00 N ATOM 0 H LYS A 160 -10.114 2.014 4.858 1.00 0.00 H new ATOM 0 HA LYS A 160 -8.950 4.174 3.209 1.00 0.00 H new ATOM 0 HB2 LYS A 160 -9.397 4.109 6.215 1.00 0.00 H new ATOM 0 HB3 LYS A 160 -8.280 5.213 5.437 1.00 0.00 H new ATOM 0 HG2 LYS A 160 -10.445 5.788 3.961 1.00 0.00 H new ATOM 0 HG3 LYS A 160 -11.278 5.186 5.380 1.00 0.00 H new ATOM 0 HD2 LYS A 160 -9.765 6.771 6.752 1.00 0.00 H new ATOM 0 HD3 LYS A 160 -9.316 7.499 5.222 1.00 0.00 H new ATOM 0 HE2 LYS A 160 -11.161 8.746 6.253 1.00 0.00 H new ATOM 0 HE3 LYS A 160 -11.682 8.022 4.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 -13.166 7.812 6.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 -12.960 6.450 5.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 -12.100 6.575 7.286 1.00 0.00 H new ATOM 512 N VAL A 161 -6.572 3.554 3.995 1.00 0.00 N ATOM 513 CA VAL A 161 -5.249 2.956 4.133 1.00 0.00 C ATOM 514 C VAL A 161 -4.226 3.995 4.579 1.00 0.00 C ATOM 515 O VAL A 161 -4.433 5.198 4.425 1.00 0.00 O ATOM 516 CB VAL A 161 -4.787 2.295 2.813 1.00 0.00 C ATOM 517 CG1 VAL A 161 -5.151 3.162 1.618 1.00 0.00 C ATOM 518 CG2 VAL A 161 -3.291 1.996 2.822 1.00 0.00 C ATOM 0 H VAL A 161 -6.571 4.496 3.603 1.00 0.00 H new ATOM 0 HA VAL A 161 -5.322 2.182 4.897 1.00 0.00 H new ATOM 0 HB VAL A 161 -5.312 1.344 2.726 1.00 0.00 H new ATOM 0 HG11 VAL A 161 -4.816 2.677 0.701 1.00 0.00 H new ATOM 0 HG12 VAL A 161 -6.232 3.298 1.583 1.00 0.00 H new ATOM 0 HG13 VAL A 161 -4.666 4.134 1.712 1.00 0.00 H new ATOM 0 HG21 VAL A 161 -3.007 1.532 1.877 1.00 0.00 H new ATOM 0 HG22 VAL A 161 -2.735 2.925 2.952 1.00 0.00 H new ATOM 0 HG23 VAL A 161 -3.061 1.317 3.643 1.00 0.00 H new ATOM 528 N LYS A 162 -3.122 3.512 5.130 1.00 0.00 N ATOM 529 CA LYS A 162 -2.053 4.387 5.601 1.00 0.00 C ATOM 530 C LYS A 162 -0.726 4.033 4.938 1.00 0.00 C ATOM 531 O LYS A 162 -0.316 2.874 4.926 1.00 0.00 O ATOM 532 CB LYS A 162 -1.918 4.290 7.121 1.00 0.00 C ATOM 533 CG LYS A 162 -0.869 5.229 7.695 1.00 0.00 C ATOM 534 CD LYS A 162 -0.705 5.035 9.193 1.00 0.00 C ATOM 535 CE LYS A 162 -1.802 5.744 9.970 1.00 0.00 C ATOM 536 NZ LYS A 162 -1.995 5.156 11.324 1.00 0.00 N ATOM 0 H LYS A 162 -2.941 2.517 5.263 1.00 0.00 H new ATOM 0 HA LYS A 162 -2.311 5.411 5.330 1.00 0.00 H new ATOM 0 HB2 LYS A 162 -2.882 4.511 7.579 1.00 0.00 H new ATOM 0 HB3 LYS A 162 -1.664 3.265 7.391 1.00 0.00 H new ATOM 0 HG2 LYS A 162 0.086 5.056 7.198 1.00 0.00 H new ATOM 0 HG3 LYS A 162 -1.153 6.261 7.490 1.00 0.00 H new ATOM 0 HD2 LYS A 162 -0.722 3.971 9.427 1.00 0.00 H new ATOM 0 HD3 LYS A 162 0.268 5.415 9.506 1.00 0.00 H new ATOM 0 HE2 LYS A 162 -1.553 6.801 10.066 1.00 0.00 H new ATOM 0 HE3 LYS A 162 -2.737 5.686 9.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 162 -2.752 5.668 11.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 162 -2.257 4.154 11.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 162 -1.111 5.235 11.866 1.00 0.00 H new ATOM 550 N VAL A 163 -0.062 5.043 4.385 1.00 0.00 N ATOM 551 CA VAL A 163 1.218 4.840 3.718 1.00 0.00 C ATOM 552 C VAL A 163 2.142 6.035 3.927 1.00 0.00 C ATOM 553 O VAL A 163 1.701 7.185 3.893 1.00 0.00 O ATOM 554 CB VAL A 163 1.034 4.611 2.206 1.00 0.00 C ATOM 555 CG1 VAL A 163 0.348 3.281 1.943 1.00 0.00 C ATOM 556 CG2 VAL A 163 0.250 5.757 1.586 1.00 0.00 C ATOM 0 H VAL A 163 -0.389 6.009 4.386 1.00 0.00 H new ATOM 0 HA VAL A 163 1.667 3.952 4.162 1.00 0.00 H new ATOM 0 HB VAL A 163 2.019 4.580 1.740 1.00 0.00 H new ATOM 0 HG11 VAL A 163 0.228 3.140 0.869 1.00 0.00 H new ATOM 0 HG12 VAL A 163 0.955 2.472 2.350 1.00 0.00 H new ATOM 0 HG13 VAL A 163 -0.631 3.276 2.421 1.00 0.00 H new ATOM 0 HG21 VAL A 163 0.129 5.579 0.517 1.00 0.00 H new ATOM 0 HG22 VAL A 163 -0.731 5.823 2.056 1.00 0.00 H new ATOM 0 HG23 VAL A 163 0.789 6.692 1.739 1.00 0.00 H new ATOM 566 N MET A 164 3.425 5.761 4.137 1.00 0.00 N ATOM 567 CA MET A 164 4.406 6.819 4.347 1.00 0.00 C ATOM 568 C MET A 164 4.960 7.317 3.014 1.00 0.00 C ATOM 569 O MET A 164 5.319 6.523 2.145 1.00 0.00 O ATOM 570 CB MET A 164 5.547 6.325 5.238 1.00 0.00 C ATOM 571 CG MET A 164 6.416 5.255 4.587 1.00 0.00 C ATOM 572 SD MET A 164 8.121 5.791 4.346 1.00 0.00 S ATOM 573 CE MET A 164 8.164 6.004 2.569 1.00 0.00 C ATOM 0 H MET A 164 3.809 4.817 4.166 1.00 0.00 H new ATOM 0 HA MET A 164 3.905 7.649 4.846 1.00 0.00 H new ATOM 0 HB2 MET A 164 6.175 7.173 5.512 1.00 0.00 H new ATOM 0 HB3 MET A 164 5.128 5.927 6.162 1.00 0.00 H new ATOM 0 HG2 MET A 164 6.406 4.358 5.207 1.00 0.00 H new ATOM 0 HG3 MET A 164 5.986 4.981 3.623 1.00 0.00 H new ATOM 0 HE1 MET A 164 9.152 5.738 2.194 1.00 0.00 H new ATOM 0 HE2 MET A 164 7.416 5.360 2.107 1.00 0.00 H new ATOM 0 HE3 MET A 164 7.950 7.044 2.322 1.00 0.00 H new ATOM 583 N VAL A 165 5.025 8.636 2.860 1.00 0.00 N ATOM 584 CA VAL A 165 5.535 9.236 1.633 1.00 0.00 C ATOM 585 C VAL A 165 6.676 10.203 1.926 1.00 0.00 C ATOM 586 O VAL A 165 6.914 10.567 3.076 1.00 0.00 O ATOM 587 CB VAL A 165 4.426 9.984 0.870 1.00 0.00 C ATOM 588 CG1 VAL A 165 3.429 9.001 0.276 1.00 0.00 C ATOM 589 CG2 VAL A 165 3.726 10.978 1.782 1.00 0.00 C ATOM 0 H VAL A 165 4.731 9.308 3.569 1.00 0.00 H new ATOM 0 HA VAL A 165 5.905 8.420 1.013 1.00 0.00 H new ATOM 0 HB VAL A 165 4.886 10.539 0.052 1.00 0.00 H new ATOM 0 HG11 VAL A 165 2.653 9.548 -0.259 1.00 0.00 H new ATOM 0 HG12 VAL A 165 3.944 8.333 -0.415 1.00 0.00 H new ATOM 0 HG13 VAL A 165 2.974 8.416 1.076 1.00 0.00 H new ATOM 0 HG21 VAL A 165 2.946 11.496 1.225 1.00 0.00 H new ATOM 0 HG22 VAL A 165 3.280 10.448 2.623 1.00 0.00 H new ATOM 0 HG23 VAL A 165 4.450 11.704 2.153 1.00 0.00 H new ATOM 599 N THR A 166 7.379 10.615 0.876 1.00 0.00 N ATOM 600 CA THR A 166 8.497 11.541 1.019 1.00 0.00 C ATOM 601 C THR A 166 8.223 12.846 0.278 1.00 0.00 C ATOM 602 O THR A 166 7.501 12.865 -0.719 1.00 0.00 O ATOM 603 CB THR A 166 9.784 10.902 0.492 1.00 0.00 C ATOM 604 OG1 THR A 166 9.491 9.929 -0.496 1.00 0.00 O ATOM 605 CG2 THR A 166 10.602 10.226 1.572 1.00 0.00 C ATOM 0 H THR A 166 7.194 10.322 -0.083 1.00 0.00 H new ATOM 0 HA THR A 166 8.617 11.766 2.079 1.00 0.00 H new ATOM 0 HB THR A 166 10.367 11.724 0.078 1.00 0.00 H new ATOM 0 HG1 THR A 166 10.326 9.533 -0.822 1.00 0.00 H new ATOM 0 HG21 THR A 166 11.500 9.794 1.131 1.00 0.00 H new ATOM 0 HG22 THR A 166 10.885 10.960 2.327 1.00 0.00 H new ATOM 0 HG23 THR A 166 10.010 9.437 2.037 1.00 0.00 H new ATOM 613 N ILE A 167 8.803 13.936 0.771 1.00 0.00 N ATOM 614 CA ILE A 167 8.620 15.244 0.156 1.00 0.00 C ATOM 615 C ILE A 167 9.769 16.184 0.519 1.00 0.00 C ATOM 616 O ILE A 167 9.997 16.480 1.691 1.00 0.00 O ATOM 617 CB ILE A 167 7.273 15.876 0.576 1.00 0.00 C ATOM 618 CG1 ILE A 167 6.921 17.056 -0.338 1.00 0.00 C ATOM 619 CG2 ILE A 167 7.306 16.310 2.035 1.00 0.00 C ATOM 620 CD1 ILE A 167 7.787 18.280 -0.126 1.00 0.00 C ATOM 0 H ILE A 167 9.404 13.938 1.595 1.00 0.00 H new ATOM 0 HA ILE A 167 8.613 15.098 -0.924 1.00 0.00 H new ATOM 0 HB ILE A 167 6.496 15.119 0.470 1.00 0.00 H new ATOM 0 HG12 ILE A 167 7.009 16.737 -1.376 1.00 0.00 H new ATOM 0 HG13 ILE A 167 5.878 17.329 -0.176 1.00 0.00 H new ATOM 0 HG21 ILE A 167 6.347 16.751 2.305 1.00 0.00 H new ATOM 0 HG22 ILE A 167 7.498 15.444 2.668 1.00 0.00 H new ATOM 0 HG23 ILE A 167 8.097 17.046 2.178 1.00 0.00 H new ATOM 0 HD11 ILE A 167 7.475 19.069 -0.810 1.00 0.00 H new ATOM 0 HD12 ILE A 167 7.681 18.627 0.902 1.00 0.00 H new ATOM 0 HD13 ILE A 167 8.830 18.026 -0.317 1.00 0.00 H new ATOM 632 N PHE A 168 10.491 16.645 -0.497 1.00 0.00 N ATOM 633 CA PHE A 168 11.618 17.548 -0.288 1.00 0.00 C ATOM 634 C PHE A 168 12.690 16.884 0.572 1.00 0.00 C ATOM 635 O PHE A 168 13.409 17.555 1.314 1.00 0.00 O ATOM 636 CB PHE A 168 11.145 18.847 0.370 1.00 0.00 C ATOM 637 CG PHE A 168 11.282 20.051 -0.518 1.00 0.00 C ATOM 638 CD1 PHE A 168 12.510 20.672 -0.680 1.00 0.00 C ATOM 639 CD2 PHE A 168 10.182 20.561 -1.189 1.00 0.00 C ATOM 640 CE1 PHE A 168 12.639 21.779 -1.498 1.00 0.00 C ATOM 641 CE2 PHE A 168 10.306 21.669 -2.007 1.00 0.00 C ATOM 642 CZ PHE A 168 11.534 22.279 -2.161 1.00 0.00 C ATOM 0 H PHE A 168 10.316 16.408 -1.474 1.00 0.00 H new ATOM 0 HA PHE A 168 12.051 17.783 -1.260 1.00 0.00 H new ATOM 0 HB2 PHE A 168 10.101 18.738 0.663 1.00 0.00 H new ATOM 0 HB3 PHE A 168 11.716 19.012 1.283 1.00 0.00 H new ATOM 0 HD1 PHE A 168 13.376 20.287 -0.162 1.00 0.00 H new ATOM 0 HD2 PHE A 168 9.218 20.088 -1.072 1.00 0.00 H new ATOM 0 HE1 PHE A 168 13.602 22.253 -1.619 1.00 0.00 H new ATOM 0 HE2 PHE A 168 9.442 22.057 -2.525 1.00 0.00 H new ATOM 0 HZ PHE A 168 11.632 23.145 -2.798 1.00 0.00 H new ATOM 652 N GLY A 169 12.792 15.562 0.468 1.00 0.00 N ATOM 653 CA GLY A 169 13.779 14.831 1.241 1.00 0.00 C ATOM 654 C GLY A 169 13.362 14.647 2.688 1.00 0.00 C ATOM 655 O GLY A 169 14.206 14.606 3.582 1.00 0.00 O ATOM 0 H GLY A 169 12.209 14.985 -0.138 1.00 0.00 H new ATOM 0 HA2 GLY A 169 13.942 13.854 0.786 1.00 0.00 H new ATOM 0 HA3 GLY A 169 14.730 15.362 1.205 1.00 0.00 H new ATOM 659 N ARG A 170 12.057 14.539 2.916 1.00 0.00 N ATOM 660 CA ARG A 170 11.530 14.361 4.264 1.00 0.00 C ATOM 661 C ARG A 170 10.341 13.406 4.260 1.00 0.00 C ATOM 662 O ARG A 170 9.543 13.393 3.321 1.00 0.00 O ATOM 663 CB ARG A 170 11.111 15.709 4.853 1.00 0.00 C ATOM 664 CG ARG A 170 12.216 16.401 5.634 1.00 0.00 C ATOM 665 CD ARG A 170 11.655 17.449 6.581 1.00 0.00 C ATOM 666 NE ARG A 170 10.690 18.324 5.920 1.00 0.00 N ATOM 667 CZ ARG A 170 9.798 19.068 6.569 1.00 0.00 C ATOM 668 NH1 ARG A 170 9.747 19.050 7.895 1.00 0.00 N ATOM 669 NH2 ARG A 170 8.956 19.836 5.891 1.00 0.00 N ATOM 0 H ARG A 170 11.346 14.572 2.186 1.00 0.00 H new ATOM 0 HA ARG A 170 12.319 13.931 4.882 1.00 0.00 H new ATOM 0 HB2 ARG A 170 10.784 16.363 4.045 1.00 0.00 H new ATOM 0 HB3 ARG A 170 10.253 15.559 5.509 1.00 0.00 H new ATOM 0 HG2 ARG A 170 12.780 15.661 6.201 1.00 0.00 H new ATOM 0 HG3 ARG A 170 12.914 16.871 4.941 1.00 0.00 H new ATOM 0 HD2 ARG A 170 11.176 16.955 7.426 1.00 0.00 H new ATOM 0 HD3 ARG A 170 12.472 18.048 6.983 1.00 0.00 H new ATOM 0 HE ARG A 170 10.701 18.367 4.901 1.00 0.00 H new ATOM 0 HH11 ARG A 170 10.394 18.464 8.422 1.00 0.00 H new ATOM 0 HH12 ARG A 170 9.061 19.623 8.387 1.00 0.00 H new ATOM 0 HH21 ARG A 170 8.992 19.856 4.872 1.00 0.00 H new ATOM 0 HH22 ARG A 170 8.272 20.406 6.389 1.00 0.00 H new ATOM 683 N GLU A 171 10.226 12.607 5.315 1.00 0.00 N ATOM 684 CA GLU A 171 9.132 11.649 5.436 1.00 0.00 C ATOM 685 C GLU A 171 7.864 12.334 5.934 1.00 0.00 C ATOM 686 O GLU A 171 7.926 13.305 6.688 1.00 0.00 O ATOM 687 CB GLU A 171 9.521 10.516 6.385 1.00 0.00 C ATOM 688 CG GLU A 171 8.721 9.242 6.171 1.00 0.00 C ATOM 689 CD GLU A 171 8.963 8.212 7.255 1.00 0.00 C ATOM 690 OE1 GLU A 171 10.094 7.688 7.336 1.00 0.00 O ATOM 691 OE2 GLU A 171 8.022 7.926 8.024 1.00 0.00 O ATOM 0 H GLU A 171 10.877 12.603 6.100 1.00 0.00 H new ATOM 0 HA GLU A 171 8.935 11.233 4.448 1.00 0.00 H new ATOM 0 HB2 GLU A 171 10.581 10.295 6.259 1.00 0.00 H new ATOM 0 HB3 GLU A 171 9.386 10.852 7.413 1.00 0.00 H new ATOM 0 HG2 GLU A 171 7.659 9.486 6.137 1.00 0.00 H new ATOM 0 HG3 GLU A 171 8.980 8.813 5.203 1.00 0.00 H new ATOM 698 N THR A 172 6.713 11.822 5.509 1.00 0.00 N ATOM 699 CA THR A 172 5.430 12.385 5.913 1.00 0.00 C ATOM 700 C THR A 172 4.322 11.335 5.840 1.00 0.00 C ATOM 701 O THR A 172 3.694 11.155 4.797 1.00 0.00 O ATOM 702 CB THR A 172 5.075 13.578 5.023 1.00 0.00 C ATOM 703 OG1 THR A 172 6.098 14.557 5.064 1.00 0.00 O ATOM 704 CG2 THR A 172 3.779 14.253 5.416 1.00 0.00 C ATOM 0 H THR A 172 6.643 11.018 4.885 1.00 0.00 H new ATOM 0 HA THR A 172 5.518 12.720 6.947 1.00 0.00 H new ATOM 0 HB THR A 172 4.962 13.166 4.020 1.00 0.00 H new ATOM 0 HG1 THR A 172 5.853 15.311 4.487 1.00 0.00 H new ATOM 0 HG21 THR A 172 3.587 15.090 4.745 1.00 0.00 H new ATOM 0 HG22 THR A 172 2.960 13.537 5.347 1.00 0.00 H new ATOM 0 HG23 THR A 172 3.855 14.619 6.440 1.00 0.00 H new ATOM 712 N PRO A 173 4.067 10.626 6.954 1.00 0.00 N ATOM 713 CA PRO A 173 3.028 9.590 7.010 1.00 0.00 C ATOM 714 C PRO A 173 1.646 10.142 6.672 1.00 0.00 C ATOM 715 O PRO A 173 1.022 10.820 7.489 1.00 0.00 O ATOM 716 CB PRO A 173 3.070 9.110 8.465 1.00 0.00 C ATOM 717 CG PRO A 173 4.416 9.506 8.965 1.00 0.00 C ATOM 718 CD PRO A 173 4.766 10.774 8.241 1.00 0.00 C ATOM 0 HA PRO A 173 3.207 8.797 6.284 1.00 0.00 H new ATOM 0 HB2 PRO A 173 2.279 9.572 9.055 1.00 0.00 H new ATOM 0 HB3 PRO A 173 2.927 8.031 8.529 1.00 0.00 H new ATOM 0 HG2 PRO A 173 4.402 9.663 10.044 1.00 0.00 H new ATOM 0 HG3 PRO A 173 5.152 8.727 8.766 1.00 0.00 H new ATOM 0 HD2 PRO A 173 4.427 11.656 8.785 1.00 0.00 H new ATOM 0 HD3 PRO A 173 5.843 10.877 8.106 1.00 0.00 H new ATOM 726 N VAL A 174 1.175 9.850 5.466 1.00 0.00 N ATOM 727 CA VAL A 174 -0.132 10.318 5.020 1.00 0.00 C ATOM 728 C VAL A 174 -1.030 9.150 4.626 1.00 0.00 C ATOM 729 O VAL A 174 -0.569 8.169 4.045 1.00 0.00 O ATOM 730 CB VAL A 174 -0.007 11.277 3.822 1.00 0.00 C ATOM 731 CG1 VAL A 174 -1.352 11.909 3.499 1.00 0.00 C ATOM 732 CG2 VAL A 174 1.041 12.345 4.099 1.00 0.00 C ATOM 0 H VAL A 174 1.679 9.291 4.778 1.00 0.00 H new ATOM 0 HA VAL A 174 -0.579 10.851 5.859 1.00 0.00 H new ATOM 0 HB VAL A 174 0.315 10.702 2.953 1.00 0.00 H new ATOM 0 HG11 VAL A 174 -1.243 12.583 2.650 1.00 0.00 H new ATOM 0 HG12 VAL A 174 -2.071 11.128 3.252 1.00 0.00 H new ATOM 0 HG13 VAL A 174 -1.708 12.469 4.364 1.00 0.00 H new ATOM 0 HG21 VAL A 174 1.115 13.013 3.241 1.00 0.00 H new ATOM 0 HG22 VAL A 174 0.753 12.917 4.981 1.00 0.00 H new ATOM 0 HG23 VAL A 174 2.007 11.871 4.274 1.00 0.00 H new ATOM 742 N GLU A 175 -2.315 9.264 4.945 1.00 0.00 N ATOM 743 CA GLU A 175 -3.276 8.217 4.620 1.00 0.00 C ATOM 744 C GLU A 175 -3.704 8.307 3.159 1.00 0.00 C ATOM 745 O GLU A 175 -3.560 9.352 2.523 1.00 0.00 O ATOM 746 CB GLU A 175 -4.501 8.318 5.531 1.00 0.00 C ATOM 747 CG GLU A 175 -5.217 9.656 5.443 1.00 0.00 C ATOM 748 CD GLU A 175 -5.661 10.167 6.800 1.00 0.00 C ATOM 749 OE1 GLU A 175 -6.082 9.341 7.638 1.00 0.00 O ATOM 750 OE2 GLU A 175 -5.588 11.394 7.025 1.00 0.00 O ATOM 0 H GLU A 175 -2.714 10.069 5.427 1.00 0.00 H new ATOM 0 HA GLU A 175 -2.793 7.253 4.780 1.00 0.00 H new ATOM 0 HB2 GLU A 175 -5.201 7.523 5.274 1.00 0.00 H new ATOM 0 HB3 GLU A 175 -4.191 8.148 6.562 1.00 0.00 H new ATOM 0 HG2 GLU A 175 -4.555 10.389 4.981 1.00 0.00 H new ATOM 0 HG3 GLU A 175 -6.087 9.557 4.793 1.00 0.00 H new ATOM 757 N LEU A 176 -4.225 7.205 2.630 1.00 0.00 N ATOM 758 CA LEU A 176 -4.666 7.159 1.240 1.00 0.00 C ATOM 759 C LEU A 176 -5.852 6.230 1.071 1.00 0.00 C ATOM 760 O LEU A 176 -6.408 5.720 2.044 1.00 0.00 O ATOM 761 CB LEU A 176 -3.543 6.655 0.338 1.00 0.00 C ATOM 762 CG LEU A 176 -2.666 7.744 -0.283 1.00 0.00 C ATOM 763 CD1 LEU A 176 -1.303 7.182 -0.665 1.00 0.00 C ATOM 764 CD2 LEU A 176 -3.354 8.358 -1.492 1.00 0.00 C ATOM 0 H LEU A 176 -4.352 6.332 3.142 1.00 0.00 H new ATOM 0 HA LEU A 176 -4.951 8.174 0.962 1.00 0.00 H new ATOM 0 HB2 LEU A 176 -2.907 5.985 0.917 1.00 0.00 H new ATOM 0 HB3 LEU A 176 -3.982 6.063 -0.465 1.00 0.00 H new ATOM 0 HG LEU A 176 -2.515 8.528 0.459 1.00 0.00 H new ATOM 0 HD11 LEU A 176 -0.694 7.972 -1.105 1.00 0.00 H new ATOM 0 HD12 LEU A 176 -0.807 6.794 0.225 1.00 0.00 H new ATOM 0 HD13 LEU A 176 -1.431 6.377 -1.389 1.00 0.00 H new ATOM 0 HD21 LEU A 176 -2.716 9.131 -1.921 1.00 0.00 H new ATOM 0 HD22 LEU A 176 -3.538 7.585 -2.238 1.00 0.00 H new ATOM 0 HD23 LEU A 176 -4.302 8.800 -1.186 1.00 0.00 H new ATOM 776 N ASP A 177 -6.207 5.988 -0.184 1.00 0.00 N ATOM 777 CA ASP A 177 -7.292 5.091 -0.499 1.00 0.00 C ATOM 778 C ASP A 177 -6.996 4.330 -1.785 1.00 0.00 C ATOM 779 O ASP A 177 -6.252 4.801 -2.644 1.00 0.00 O ATOM 780 CB ASP A 177 -8.615 5.849 -0.626 1.00 0.00 C ATOM 781 CG ASP A 177 -8.756 6.957 0.402 1.00 0.00 C ATOM 782 OD1 ASP A 177 -9.277 6.683 1.503 1.00 0.00 O ATOM 783 OD2 ASP A 177 -8.345 8.099 0.104 1.00 0.00 O ATOM 0 H ASP A 177 -5.753 6.405 -0.997 1.00 0.00 H new ATOM 0 HA ASP A 177 -7.386 4.378 0.320 1.00 0.00 H new ATOM 0 HB2 ASP A 177 -8.690 6.275 -1.626 1.00 0.00 H new ATOM 0 HB3 ASP A 177 -9.443 5.148 -0.515 1.00 0.00 H new ATOM 788 N PHE A 178 -7.578 3.145 -1.902 1.00 0.00 N ATOM 789 CA PHE A 178 -7.384 2.296 -3.076 1.00 0.00 C ATOM 790 C PHE A 178 -7.579 3.084 -4.370 1.00 0.00 C ATOM 791 O PHE A 178 -6.823 2.919 -5.328 1.00 0.00 O ATOM 792 CB PHE A 178 -8.353 1.113 -3.039 1.00 0.00 C ATOM 793 CG PHE A 178 -7.899 -0.008 -2.149 1.00 0.00 C ATOM 794 CD1 PHE A 178 -7.981 0.107 -0.771 1.00 0.00 C ATOM 795 CD2 PHE A 178 -7.393 -1.180 -2.690 1.00 0.00 C ATOM 796 CE1 PHE A 178 -7.565 -0.923 0.052 1.00 0.00 C ATOM 797 CE2 PHE A 178 -6.976 -2.214 -1.873 1.00 0.00 C ATOM 798 CZ PHE A 178 -7.063 -2.085 -0.500 1.00 0.00 C ATOM 0 H PHE A 178 -8.194 2.745 -1.194 1.00 0.00 H new ATOM 0 HA PHE A 178 -6.359 1.925 -3.053 1.00 0.00 H new ATOM 0 HB2 PHE A 178 -9.328 1.463 -2.700 1.00 0.00 H new ATOM 0 HB3 PHE A 178 -8.486 0.731 -4.051 1.00 0.00 H new ATOM 0 HD1 PHE A 178 -8.375 1.013 -0.334 1.00 0.00 H new ATOM 0 HD2 PHE A 178 -7.324 -1.286 -3.763 1.00 0.00 H new ATOM 0 HE1 PHE A 178 -7.633 -0.819 1.125 1.00 0.00 H new ATOM 0 HE2 PHE A 178 -6.583 -3.121 -2.307 1.00 0.00 H new ATOM 0 HZ PHE A 178 -6.739 -2.892 0.141 1.00 0.00 H new ATOM 808 N SER A 179 -8.596 3.940 -4.391 1.00 0.00 N ATOM 809 CA SER A 179 -8.890 4.753 -5.569 1.00 0.00 C ATOM 810 C SER A 179 -7.945 5.952 -5.668 1.00 0.00 C ATOM 811 O SER A 179 -8.019 6.732 -6.617 1.00 0.00 O ATOM 812 CB SER A 179 -10.340 5.237 -5.527 1.00 0.00 C ATOM 813 OG SER A 179 -11.204 4.320 -6.173 1.00 0.00 O ATOM 0 H SER A 179 -9.231 4.089 -3.607 1.00 0.00 H new ATOM 0 HA SER A 179 -8.742 4.129 -6.451 1.00 0.00 H new ATOM 0 HB2 SER A 179 -10.653 5.368 -4.491 1.00 0.00 H new ATOM 0 HB3 SER A 179 -10.415 6.212 -6.008 1.00 0.00 H new ATOM 0 HG SER A 179 -12.125 4.652 -6.130 1.00 0.00 H new ATOM 819 N GLN A 180 -7.062 6.097 -4.684 1.00 0.00 N ATOM 820 CA GLN A 180 -6.110 7.201 -4.660 1.00 0.00 C ATOM 821 C GLN A 180 -4.668 6.695 -4.743 1.00 0.00 C ATOM 822 O GLN A 180 -3.723 7.476 -4.613 1.00 0.00 O ATOM 823 CB GLN A 180 -6.300 8.025 -3.387 1.00 0.00 C ATOM 824 CG GLN A 180 -7.066 9.320 -3.609 1.00 0.00 C ATOM 825 CD GLN A 180 -6.751 10.371 -2.563 1.00 0.00 C ATOM 826 OE1 GLN A 180 -6.115 10.084 -1.548 1.00 0.00 O ATOM 827 NE2 GLN A 180 -7.197 11.599 -2.806 1.00 0.00 N ATOM 0 H GLN A 180 -6.987 5.461 -3.890 1.00 0.00 H new ATOM 0 HA GLN A 180 -6.299 7.828 -5.531 1.00 0.00 H new ATOM 0 HB2 GLN A 180 -6.829 7.422 -2.649 1.00 0.00 H new ATOM 0 HB3 GLN A 180 -5.322 8.259 -2.966 1.00 0.00 H new ATOM 0 HG2 GLN A 180 -6.828 9.714 -4.597 1.00 0.00 H new ATOM 0 HG3 GLN A 180 -8.136 9.111 -3.598 1.00 0.00 H new ATOM 0 HE21 GLN A 180 -7.720 11.792 -3.660 1.00 0.00 H new ATOM 0 HE22 GLN A 180 -7.016 12.349 -2.138 1.00 0.00 H new ATOM 836 N VAL A 181 -4.502 5.393 -4.957 1.00 0.00 N ATOM 837 CA VAL A 181 -3.174 4.802 -5.052 1.00 0.00 C ATOM 838 C VAL A 181 -3.133 3.700 -6.105 1.00 0.00 C ATOM 839 O VAL A 181 -4.134 3.413 -6.760 1.00 0.00 O ATOM 840 CB VAL A 181 -2.722 4.217 -3.699 1.00 0.00 C ATOM 841 CG1 VAL A 181 -2.580 5.321 -2.663 1.00 0.00 C ATOM 842 CG2 VAL A 181 -3.700 3.153 -3.224 1.00 0.00 C ATOM 0 H VAL A 181 -5.269 4.730 -5.067 1.00 0.00 H new ATOM 0 HA VAL A 181 -2.494 5.603 -5.342 1.00 0.00 H new ATOM 0 HB VAL A 181 -1.748 3.747 -3.833 1.00 0.00 H new ATOM 0 HG11 VAL A 181 -2.260 4.890 -1.714 1.00 0.00 H new ATOM 0 HG12 VAL A 181 -1.838 6.044 -3.001 1.00 0.00 H new ATOM 0 HG13 VAL A 181 -3.540 5.821 -2.530 1.00 0.00 H new ATOM 0 HG21 VAL A 181 -3.365 2.751 -2.268 1.00 0.00 H new ATOM 0 HG22 VAL A 181 -4.689 3.595 -3.105 1.00 0.00 H new ATOM 0 HG23 VAL A 181 -3.748 2.349 -3.958 1.00 0.00 H new ATOM 852 N VAL A 182 -1.965 3.086 -6.263 1.00 0.00 N ATOM 853 CA VAL A 182 -1.789 2.014 -7.235 1.00 0.00 C ATOM 854 C VAL A 182 -0.637 1.098 -6.835 1.00 0.00 C ATOM 855 O VAL A 182 0.352 1.544 -6.254 1.00 0.00 O ATOM 856 CB VAL A 182 -1.521 2.571 -8.643 1.00 0.00 C ATOM 857 CG1 VAL A 182 -2.783 3.193 -9.221 1.00 0.00 C ATOM 858 CG2 VAL A 182 -0.386 3.584 -8.610 1.00 0.00 C ATOM 0 H VAL A 182 -1.126 3.313 -5.730 1.00 0.00 H new ATOM 0 HA VAL A 182 -2.718 1.443 -7.250 1.00 0.00 H new ATOM 0 HB VAL A 182 -1.222 1.745 -9.289 1.00 0.00 H new ATOM 0 HG11 VAL A 182 -2.574 3.582 -10.218 1.00 0.00 H new ATOM 0 HG12 VAL A 182 -3.566 2.437 -9.283 1.00 0.00 H new ATOM 0 HG13 VAL A 182 -3.115 4.007 -8.577 1.00 0.00 H new ATOM 0 HG21 VAL A 182 -0.211 3.967 -9.615 1.00 0.00 H new ATOM 0 HG22 VAL A 182 -0.653 4.408 -7.949 1.00 0.00 H new ATOM 0 HG23 VAL A 182 0.520 3.103 -8.242 1.00 0.00 H new ATOM 868 N LYS A 183 -0.772 -0.186 -7.151 1.00 0.00 N ATOM 869 CA LYS A 183 0.258 -1.164 -6.823 1.00 0.00 C ATOM 870 C LYS A 183 1.482 -0.988 -7.716 1.00 0.00 C ATOM 871 O LYS A 183 1.358 -0.761 -8.920 1.00 0.00 O ATOM 872 CB LYS A 183 -0.294 -2.584 -6.966 1.00 0.00 C ATOM 873 CG LYS A 183 0.215 -3.544 -5.904 1.00 0.00 C ATOM 874 CD LYS A 183 1.461 -4.280 -6.371 1.00 0.00 C ATOM 875 CE LYS A 183 1.734 -5.509 -5.520 1.00 0.00 C ATOM 876 NZ LYS A 183 3.138 -5.985 -5.662 1.00 0.00 N ATOM 0 H LYS A 183 -1.583 -0.573 -7.633 1.00 0.00 H new ATOM 0 HA LYS A 183 0.561 -1.002 -5.789 1.00 0.00 H new ATOM 0 HB2 LYS A 183 -1.382 -2.548 -6.920 1.00 0.00 H new ATOM 0 HB3 LYS A 183 -0.029 -2.970 -7.950 1.00 0.00 H new ATOM 0 HG2 LYS A 183 0.437 -2.993 -4.990 1.00 0.00 H new ATOM 0 HG3 LYS A 183 -0.565 -4.265 -5.660 1.00 0.00 H new ATOM 0 HD2 LYS A 183 1.340 -4.577 -7.413 1.00 0.00 H new ATOM 0 HD3 LYS A 183 2.319 -3.609 -6.328 1.00 0.00 H new ATOM 0 HE2 LYS A 183 1.534 -5.277 -4.474 1.00 0.00 H new ATOM 0 HE3 LYS A 183 1.050 -6.308 -5.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 183 3.282 -6.825 -5.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 183 3.322 -6.231 -6.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 183 3.791 -5.233 -5.364 1.00 0.00 H new ATOM 890 N ALA A 184 2.663 -1.094 -7.117 1.00 0.00 N ATOM 891 CA ALA A 184 3.911 -0.947 -7.856 1.00 0.00 C ATOM 892 C ALA A 184 4.656 -2.274 -7.947 1.00 0.00 C ATOM 893 O ALA A 184 4.718 -2.989 -6.924 1.00 0.00 O ATOM 894 CB ALA A 184 4.789 0.109 -7.202 1.00 0.00 C ATOM 895 OXT ALA A 184 5.169 -2.591 -9.041 1.00 0.00 O ATOM 0 H ALA A 184 2.782 -1.281 -6.121 1.00 0.00 H new ATOM 0 HA ALA A 184 3.669 -0.627 -8.869 1.00 0.00 H new ATOM 0 HB1 ALA A 184 5.718 0.209 -7.764 1.00 0.00 H new ATOM 0 HB2 ALA A 184 4.265 1.065 -7.195 1.00 0.00 H new ATOM 0 HB3 ALA A 184 5.015 -0.189 -6.178 1.00 0.00 H new TER 901 ALA A 184