USER MOD reduce.3.24.130724 H: found=0, std=0, add=360, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 357 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 NoAdj-H: A 178 HIS HD1 : A 178 HIS ND1 : A1175 ZNZN :(H bumps) USER MOD NoAdj-H: A 204 HIS HD1 : A 204 HIS ND1 : A1187 ZNZN :(H bumps) USER MOD NoAdj-H: A 207 HIS HD1 : A 207 HIS ND1 : A1187 ZNZN :(H bumps) USER MOD Set 1.1: A 184 ASN : amide:sc= -0.63 K(o=-1.5,f=-3.7) USER MOD Set 1.2: A 185 MET CE :methyl -145:sc= -0.851 (180deg=-1.8!) USER MOD Single : A 168 SER OG : rot 36:sc= 0.0213 USER MOD Single : A 169 HIS : no HD1:sc= 0 X(o=0,f=-0.0042) USER MOD Single : A 174 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 182 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 186 TYR OH : rot 180:sc= -1.53 USER MOD Single : A 189 THR OG1 : rot 86:sc= -0.328 USER MOD Single : A 192 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 199 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 208 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 213 SER OG : rot 180:sc= 0.009 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 168 1.239 1.030 2.396 1.00 2.00 N ATOM 2 CA SER A 168 1.909 0.909 1.106 1.00 34.22 C ATOM 3 C SER A 168 3.070 1.893 1.003 1.00 12.24 C ATOM 4 O SER A 168 2.933 3.071 1.339 1.00 71.43 O ATOM 5 CB SER A 168 0.917 1.152 -0.032 1.00 14.33 C ATOM 6 OG SER A 168 -0.094 0.159 -0.048 1.00 62.25 O ATOM 0 HA SER A 168 2.305 -0.103 1.023 1.00 34.22 H new ATOM 0 HB2 SER A 168 0.463 2.136 0.081 1.00 14.33 H new ATOM 0 HB3 SER A 168 1.445 1.153 -0.985 1.00 14.33 H new ATOM 0 HG SER A 168 -0.318 -0.094 0.872 1.00 62.25 H new ATOM 12 N HIS A 169 4.214 1.403 0.537 1.00 53.03 N ATOM 13 CA HIS A 169 5.400 2.239 0.387 1.00 32.35 C ATOM 14 C HIS A 169 6.473 1.519 -0.424 1.00 51.13 C ATOM 15 O HIS A 169 7.544 1.199 0.092 1.00 41.13 O ATOM 16 CB HIS A 169 5.954 2.624 1.759 1.00 63.14 C ATOM 17 CG HIS A 169 6.942 3.749 1.711 1.00 24.44 C ATOM 18 ND1 HIS A 169 8.283 3.585 1.994 1.00 72.44 N ATOM 19 CD2 HIS A 169 6.780 5.058 1.410 1.00 23.52 C ATOM 20 CE1 HIS A 169 8.901 4.746 1.870 1.00 60.20 C ATOM 21 NE2 HIS A 169 8.011 5.656 1.516 1.00 3.12 N ATOM 0 H HIS A 169 4.345 0.431 0.257 1.00 53.03 H new ATOM 0 HA HIS A 169 5.112 3.144 -0.148 1.00 32.35 H new ATOM 0 HB2 HIS A 169 5.126 2.906 2.410 1.00 63.14 H new ATOM 0 HB3 HIS A 169 6.430 1.752 2.207 1.00 63.14 H new ATOM 0 HD2 HIS A 169 5.854 5.542 1.137 1.00 23.52 H new ATOM 0 HE1 HIS A 169 9.954 4.921 2.031 1.00 60.20 H new ATOM 0 HE2 HIS A 169 8.207 6.643 1.349 1.00 3.12 H new ATOM 29 N ILE A 170 6.178 1.267 -1.695 1.00 62.01 N ATOM 30 CA ILE A 170 7.118 0.586 -2.577 1.00 32.31 C ATOM 31 C ILE A 170 7.774 1.566 -3.544 1.00 32.22 C ATOM 32 O ILE A 170 8.010 1.240 -4.707 1.00 2.43 O ATOM 33 CB ILE A 170 6.426 -0.530 -3.383 1.00 12.33 C ATOM 34 CG1 ILE A 170 5.201 0.024 -4.113 1.00 74.30 C ATOM 35 CG2 ILE A 170 6.031 -1.678 -2.467 1.00 14.32 C ATOM 36 CD1 ILE A 170 4.697 -0.878 -5.217 1.00 71.32 C ATOM 0 H ILE A 170 5.295 1.524 -2.137 1.00 62.01 H new ATOM 0 HA ILE A 170 7.883 0.142 -1.940 1.00 32.31 H new ATOM 0 HB ILE A 170 7.127 -0.910 -4.126 1.00 12.33 H new ATOM 0 HG12 ILE A 170 4.400 0.184 -3.392 1.00 74.30 H new ATOM 0 HG13 ILE A 170 5.449 0.998 -4.535 1.00 74.30 H new ATOM 0 HG21 ILE A 170 5.543 -2.458 -3.051 1.00 14.32 H new ATOM 0 HG22 ILE A 170 6.922 -2.086 -1.989 1.00 14.32 H new ATOM 0 HG23 ILE A 170 5.344 -1.314 -1.703 1.00 14.32 H new ATOM 0 HD11 ILE A 170 3.827 -0.422 -5.691 1.00 71.32 H new ATOM 0 HD12 ILE A 170 5.483 -1.018 -5.959 1.00 71.32 H new ATOM 0 HD13 ILE A 170 4.417 -1.844 -4.798 1.00 71.32 H new ATOM 48 N ARG A 171 8.065 2.766 -3.054 1.00 2.24 N ATOM 49 CA ARG A 171 8.695 3.793 -3.875 1.00 71.21 C ATOM 50 C ARG A 171 9.718 4.584 -3.065 1.00 25.31 C ATOM 51 O ARG A 171 9.561 4.773 -1.860 1.00 62.51 O ATOM 52 CB ARG A 171 7.637 4.741 -4.444 1.00 31.43 C ATOM 53 CG ARG A 171 6.852 4.151 -5.604 1.00 11.13 C ATOM 54 CD ARG A 171 6.254 5.239 -6.482 1.00 72.21 C ATOM 55 NE ARG A 171 7.236 5.793 -7.411 1.00 73.31 N ATOM 56 CZ ARG A 171 6.918 6.585 -8.429 1.00 62.32 C ATOM 57 NH1 ARG A 171 5.652 6.914 -8.648 1.00 72.10 N ATOM 58 NH2 ARG A 171 7.868 7.050 -9.231 1.00 74.23 N ATOM 0 H ARG A 171 7.875 3.051 -2.093 1.00 2.24 H new ATOM 0 HA ARG A 171 9.211 3.299 -4.698 1.00 71.21 H new ATOM 0 HB2 ARG A 171 6.943 5.017 -3.650 1.00 31.43 H new ATOM 0 HB3 ARG A 171 8.124 5.659 -4.775 1.00 31.43 H new ATOM 0 HG2 ARG A 171 7.506 3.517 -6.203 1.00 11.13 H new ATOM 0 HG3 ARG A 171 6.056 3.514 -5.219 1.00 11.13 H new ATOM 0 HD2 ARG A 171 5.414 4.831 -7.043 1.00 72.21 H new ATOM 0 HD3 ARG A 171 5.860 6.037 -5.853 1.00 72.21 H new ATOM 0 HE ARG A 171 8.219 5.559 -7.270 1.00 73.31 H new ATOM 0 HH11 ARG A 171 4.919 6.559 -8.034 1.00 72.10 H new ATOM 0 HH12 ARG A 171 5.411 7.522 -9.431 1.00 72.10 H new ATOM 0 HH21 ARG A 171 8.843 6.799 -9.066 1.00 74.23 H new ATOM 0 HH22 ARG A 171 7.623 7.658 -10.012 1.00 74.23 H new ATOM 72 N GLY A 172 10.770 5.044 -3.738 1.00 72.52 N ATOM 73 CA GLY A 172 11.805 5.807 -3.065 1.00 62.31 C ATOM 74 C GLY A 172 13.154 5.678 -3.743 1.00 73.35 C ATOM 75 O GLY A 172 13.378 4.752 -4.525 1.00 3.05 O ATOM 0 H GLY A 172 10.923 4.902 -4.736 1.00 72.52 H new ATOM 0 HA2 GLY A 172 11.516 6.858 -3.035 1.00 62.31 H new ATOM 0 HA3 GLY A 172 11.887 5.469 -2.032 1.00 62.31 H new ATOM 79 N LEU A 173 14.054 6.608 -3.448 1.00 45.52 N ATOM 80 CA LEU A 173 15.389 6.596 -4.038 1.00 5.32 C ATOM 81 C LEU A 173 16.460 6.467 -2.959 1.00 72.20 C ATOM 82 O LEU A 173 17.351 7.307 -2.851 1.00 42.22 O ATOM 83 CB LEU A 173 15.620 7.871 -4.851 1.00 2.34 C ATOM 84 CG LEU A 173 14.700 8.075 -6.055 1.00 44.44 C ATOM 85 CD1 LEU A 173 14.477 9.558 -6.311 1.00 34.42 C ATOM 86 CD2 LEU A 173 15.282 7.401 -7.289 1.00 41.43 C ATOM 0 H LEU A 173 13.885 7.381 -2.804 1.00 45.52 H new ATOM 0 HA LEU A 173 15.459 5.732 -4.699 1.00 5.32 H new ATOM 0 HB2 LEU A 173 15.510 8.727 -4.186 1.00 2.34 H new ATOM 0 HB3 LEU A 173 16.652 7.872 -5.203 1.00 2.34 H new ATOM 0 HG LEU A 173 13.736 7.616 -5.834 1.00 44.44 H new ATOM 0 HD11 LEU A 173 13.820 9.684 -7.171 1.00 34.42 H new ATOM 0 HD12 LEU A 173 14.018 10.014 -5.434 1.00 34.42 H new ATOM 0 HD13 LEU A 173 15.434 10.041 -6.511 1.00 34.42 H new ATOM 0 HD21 LEU A 173 14.615 7.556 -8.137 1.00 41.43 H new ATOM 0 HD22 LEU A 173 16.258 7.831 -7.512 1.00 41.43 H new ATOM 0 HD23 LEU A 173 15.390 6.332 -7.103 1.00 41.43 H new ATOM 98 N MET A 174 16.366 5.406 -2.164 1.00 2.03 N ATOM 99 CA MET A 174 17.330 5.163 -1.097 1.00 53.21 C ATOM 100 C MET A 174 18.686 4.766 -1.670 1.00 4.34 C ATOM 101 O MET A 174 18.863 4.811 -2.887 1.00 13.14 O ATOM 102 CB MET A 174 16.820 4.068 -0.159 1.00 34.23 C ATOM 103 CG MET A 174 15.633 4.498 0.690 1.00 64.54 C ATOM 104 SD MET A 174 14.105 3.663 0.221 1.00 4.02 S ATOM 105 CE MET A 174 13.011 4.197 1.535 1.00 2.21 C ATOM 0 H MET A 174 15.632 4.701 -2.238 1.00 2.03 H new ATOM 0 HA MET A 174 17.450 6.088 -0.533 1.00 53.21 H new ATOM 0 HB2 MET A 174 16.537 3.197 -0.750 1.00 34.23 H new ATOM 0 HB3 MET A 174 17.632 3.757 0.498 1.00 34.23 H new ATOM 0 HG2 MET A 174 15.848 4.292 1.739 1.00 64.54 H new ATOM 0 HG3 MET A 174 15.497 5.576 0.598 1.00 64.54 H new ATOM 0 HE1 MET A 174 12.023 3.762 1.385 1.00 2.21 H new ATOM 0 HE2 MET A 174 13.409 3.870 2.495 1.00 2.21 H new ATOM 0 HE3 MET A 174 12.934 5.284 1.525 1.00 2.21 H new ATOM 115 N CYS A 175 19.606 4.392 -0.792 1.00 52.12 N ATOM 116 CA CYS A 175 20.934 3.993 -1.224 1.00 3.10 C ATOM 117 C CYS A 175 20.842 2.592 -1.830 1.00 32.34 C ATOM 118 O CYS A 175 19.889 1.843 -1.604 1.00 2.13 O ATOM 119 CB CYS A 175 21.945 4.053 -0.076 1.00 55.42 C ATOM 120 SG CYS A 175 23.551 4.679 -0.688 1.00 24.43 S ATOM 0 H CYS A 175 19.457 4.357 0.216 1.00 52.12 H new ATOM 0 HA CYS A 175 21.298 4.691 -1.978 1.00 3.10 H new ATOM 0 HB2 CYS A 175 21.570 4.702 0.716 1.00 55.42 H new ATOM 0 HB3 CYS A 175 22.074 3.062 0.358 1.00 55.42 H new ATOM 125 N LEU A 176 21.860 2.249 -2.611 1.00 24.24 N ATOM 126 CA LEU A 176 21.920 0.946 -3.263 1.00 23.31 C ATOM 127 C LEU A 176 22.261 -0.151 -2.259 1.00 1.21 C ATOM 128 O LEU A 176 21.607 -1.192 -2.217 1.00 31.41 O ATOM 129 CB LEU A 176 22.956 0.963 -4.388 1.00 20.41 C ATOM 130 CG LEU A 176 22.408 0.818 -5.808 1.00 51.03 C ATOM 131 CD1 LEU A 176 21.697 2.092 -6.238 1.00 44.24 C ATOM 132 CD2 LEU A 176 23.528 0.475 -6.779 1.00 61.04 C ATOM 0 H LEU A 176 22.656 2.856 -2.808 1.00 24.24 H new ATOM 0 HA LEU A 176 20.938 0.734 -3.685 1.00 23.31 H new ATOM 0 HB2 LEU A 176 23.512 1.899 -4.329 1.00 20.41 H new ATOM 0 HB3 LEU A 176 23.668 0.157 -4.211 1.00 20.41 H new ATOM 0 HG LEU A 176 21.685 0.003 -5.817 1.00 51.03 H new ATOM 0 HD11 LEU A 176 21.314 1.970 -7.251 1.00 44.24 H new ATOM 0 HD12 LEU A 176 20.869 2.294 -5.558 1.00 44.24 H new ATOM 0 HD13 LEU A 176 22.398 2.926 -6.213 1.00 44.24 H new ATOM 0 HD21 LEU A 176 23.120 0.376 -7.785 1.00 61.04 H new ATOM 0 HD22 LEU A 176 24.275 1.268 -6.767 1.00 61.04 H new ATOM 0 HD23 LEU A 176 23.992 -0.465 -6.481 1.00 61.04 H new ATOM 144 N GLU A 177 23.288 0.093 -1.451 1.00 2.35 N ATOM 145 CA GLU A 177 23.714 -0.874 -0.446 1.00 51.21 C ATOM 146 C GLU A 177 22.886 -0.735 0.829 1.00 2.51 C ATOM 147 O GLU A 177 22.578 -1.724 1.493 1.00 73.55 O ATOM 148 CB GLU A 177 25.199 -0.688 -0.125 1.00 62.51 C ATOM 149 CG GLU A 177 25.988 -1.987 -0.120 1.00 75.15 C ATOM 150 CD GLU A 177 26.301 -2.485 -1.518 1.00 72.20 C ATOM 151 OE1 GLU A 177 25.582 -2.097 -2.462 1.00 14.35 O ATOM 152 OE2 GLU A 177 27.267 -3.263 -1.668 1.00 12.45 O ATOM 0 H GLU A 177 23.840 0.951 -1.473 1.00 2.35 H new ATOM 0 HA GLU A 177 23.559 -1.874 -0.852 1.00 51.21 H new ATOM 0 HB2 GLU A 177 25.638 -0.009 -0.856 1.00 62.51 H new ATOM 0 HB3 GLU A 177 25.294 -0.211 0.850 1.00 62.51 H new ATOM 0 HG2 GLU A 177 26.920 -1.840 0.426 1.00 75.15 H new ATOM 0 HG3 GLU A 177 25.422 -2.750 0.415 1.00 75.15 H new ATOM 159 N HIS A 178 22.530 0.501 1.164 1.00 3.14 N ATOM 160 CA HIS A 178 21.739 0.771 2.359 1.00 4.13 C ATOM 161 C HIS A 178 20.252 0.830 2.025 1.00 43.43 C ATOM 162 O HIS A 178 19.773 1.812 1.458 1.00 4.50 O ATOM 163 CB HIS A 178 22.182 2.085 3.003 1.00 11.32 C ATOM 164 CG HIS A 178 23.652 2.149 3.285 1.00 55.03 C ATOM 165 ND1 HIS A 178 24.543 2.826 2.480 1.00 63.33 N ATOM 166 CD2 HIS A 178 24.384 1.618 4.291 1.00 33.44 C ATOM 167 CE1 HIS A 178 25.762 2.705 2.978 1.00 53.34 C ATOM 168 NE2 HIS A 178 25.692 1.978 4.078 1.00 60.31 N ATOM 0 H HIS A 178 22.777 1.331 0.625 1.00 3.14 H new ATOM 0 HA HIS A 178 21.902 -0.044 3.064 1.00 4.13 H new ATOM 0 HB2 HIS A 178 21.910 2.912 2.346 1.00 11.32 H new ATOM 0 HB3 HIS A 178 21.635 2.225 3.935 1.00 11.32 H new ATOM 0 HD2 HIS A 178 24.009 1.022 5.110 1.00 33.44 H new ATOM 0 HE1 HIS A 178 26.662 3.129 2.557 1.00 53.34 H new ATOM 0 HE2 HIS A 178 26.481 1.725 4.673 1.00 60.31 H new ATOM 175 N GLU A 179 19.528 -0.226 2.380 1.00 51.23 N ATOM 176 CA GLU A 179 18.095 -0.294 2.115 1.00 5.02 C ATOM 177 C GLU A 179 17.306 0.425 3.205 1.00 1.42 C ATOM 178 O GLU A 179 16.253 1.006 2.943 1.00 41.23 O ATOM 179 CB GLU A 179 17.640 -1.751 2.018 1.00 62.20 C ATOM 180 CG GLU A 179 18.035 -2.594 3.219 1.00 20.14 C ATOM 181 CD GLU A 179 16.843 -3.246 3.892 1.00 42.51 C ATOM 182 OE1 GLU A 179 16.252 -4.166 3.289 1.00 65.23 O ATOM 183 OE2 GLU A 179 16.500 -2.835 5.020 1.00 24.33 O ATOM 0 H GLU A 179 19.909 -1.046 2.852 1.00 51.23 H new ATOM 0 HA GLU A 179 17.904 0.203 1.164 1.00 5.02 H new ATOM 0 HB2 GLU A 179 16.556 -1.778 1.907 1.00 62.20 H new ATOM 0 HB3 GLU A 179 18.064 -2.196 1.118 1.00 62.20 H new ATOM 0 HG2 GLU A 179 18.735 -3.366 2.901 1.00 20.14 H new ATOM 0 HG3 GLU A 179 18.558 -1.967 3.942 1.00 20.14 H new ATOM 190 N ASP A 180 17.822 0.381 4.428 1.00 60.21 N ATOM 191 CA ASP A 180 17.166 1.027 5.558 1.00 5.41 C ATOM 192 C ASP A 180 17.736 2.424 5.791 1.00 30.41 C ATOM 193 O ASP A 180 17.844 2.878 6.930 1.00 62.01 O ATOM 194 CB ASP A 180 17.328 0.181 6.821 1.00 24.22 C ATOM 195 CG ASP A 180 16.254 0.468 7.852 1.00 30.42 C ATOM 196 OD1 ASP A 180 15.359 1.290 7.564 1.00 41.42 O ATOM 197 OD2 ASP A 180 16.307 -0.131 8.946 1.00 22.11 O ATOM 0 H ASP A 180 18.693 -0.095 4.662 1.00 60.21 H new ATOM 0 HA ASP A 180 16.105 1.120 5.326 1.00 5.41 H new ATOM 0 HB2 ASP A 180 17.298 -0.875 6.554 1.00 24.22 H new ATOM 0 HB3 ASP A 180 18.308 0.371 7.259 1.00 24.22 H new ATOM 202 N GLU A 181 18.100 3.097 4.704 1.00 3.32 N ATOM 203 CA GLU A 181 18.661 4.441 4.791 1.00 14.50 C ATOM 204 C GLU A 181 18.442 5.207 3.490 1.00 53.02 C ATOM 205 O GLU A 181 19.005 4.862 2.451 1.00 5.44 O ATOM 206 CB GLU A 181 20.155 4.374 5.112 1.00 43.14 C ATOM 207 CG GLU A 181 20.514 4.959 6.468 1.00 62.35 C ATOM 208 CD GLU A 181 21.420 6.169 6.360 1.00 53.23 C ATOM 209 OE1 GLU A 181 21.323 6.895 5.348 1.00 63.42 O ATOM 210 OE2 GLU A 181 22.226 6.392 7.288 1.00 40.44 O ATOM 0 H GLU A 181 18.017 2.735 3.754 1.00 3.32 H new ATOM 0 HA GLU A 181 18.148 4.970 5.594 1.00 14.50 H new ATOM 0 HB2 GLU A 181 20.479 3.334 5.077 1.00 43.14 H new ATOM 0 HB3 GLU A 181 20.708 4.906 4.338 1.00 43.14 H new ATOM 0 HG2 GLU A 181 19.600 5.240 6.992 1.00 62.35 H new ATOM 0 HG3 GLU A 181 21.005 4.195 7.071 1.00 62.35 H new ATOM 217 N LYS A 182 17.618 6.248 3.554 1.00 4.22 N ATOM 218 CA LYS A 182 17.324 7.065 2.383 1.00 2.23 C ATOM 219 C LYS A 182 18.486 8.000 2.065 1.00 31.01 C ATOM 220 O LYS A 182 19.254 8.376 2.951 1.00 13.32 O ATOM 221 CB LYS A 182 16.048 7.879 2.611 1.00 61.45 C ATOM 222 CG LYS A 182 16.073 8.704 3.885 1.00 54.33 C ATOM 223 CD LYS A 182 15.727 10.159 3.614 1.00 74.04 C ATOM 224 CE LYS A 182 16.342 11.082 4.654 1.00 72.12 C ATOM 225 NZ LYS A 182 15.344 12.038 5.207 1.00 12.40 N ATOM 0 H LYS A 182 17.142 6.546 4.406 1.00 4.22 H new ATOM 0 HA LYS A 182 17.176 6.398 1.534 1.00 2.23 H new ATOM 0 HB2 LYS A 182 15.894 8.543 1.761 1.00 61.45 H new ATOM 0 HB3 LYS A 182 15.195 7.201 2.644 1.00 61.45 H new ATOM 0 HG2 LYS A 182 15.366 8.288 4.603 1.00 54.33 H new ATOM 0 HG3 LYS A 182 17.062 8.643 4.340 1.00 54.33 H new ATOM 0 HD2 LYS A 182 16.082 10.440 2.622 1.00 74.04 H new ATOM 0 HD3 LYS A 182 14.644 10.282 3.612 1.00 74.04 H new ATOM 0 HE2 LYS A 182 16.762 10.487 5.465 1.00 72.12 H new ATOM 0 HE3 LYS A 182 17.166 11.637 4.205 1.00 72.12 H new ATOM 0 HZ1 LYS A 182 15.803 12.649 5.912 1.00 12.40 H new ATOM 0 HZ2 LYS A 182 14.961 12.624 4.438 1.00 12.40 H new ATOM 0 HZ3 LYS A 182 14.570 11.510 5.658 1.00 12.40 H new ATOM 239 N VAL A 183 18.609 8.374 0.796 1.00 41.33 N ATOM 240 CA VAL A 183 19.675 9.268 0.362 1.00 5.11 C ATOM 241 C VAL A 183 19.691 10.548 1.191 1.00 41.14 C ATOM 242 O VAL A 183 18.812 10.770 2.024 1.00 44.12 O ATOM 243 CB VAL A 183 19.530 9.636 -1.126 1.00 61.14 C ATOM 244 CG1 VAL A 183 19.865 8.441 -2.007 1.00 44.41 C ATOM 245 CG2 VAL A 183 18.125 10.143 -1.415 1.00 33.13 C ATOM 0 H VAL A 183 17.983 8.071 0.050 1.00 41.33 H new ATOM 0 HA VAL A 183 20.614 8.733 0.506 1.00 5.11 H new ATOM 0 HB VAL A 183 20.235 10.435 -1.355 1.00 61.14 H new ATOM 0 HG11 VAL A 183 19.757 8.720 -3.055 1.00 44.41 H new ATOM 0 HG12 VAL A 183 20.892 8.127 -1.819 1.00 44.41 H new ATOM 0 HG13 VAL A 183 19.187 7.619 -1.779 1.00 44.41 H new ATOM 0 HG21 VAL A 183 18.040 10.398 -2.471 1.00 33.13 H new ATOM 0 HG22 VAL A 183 17.400 9.366 -1.170 1.00 33.13 H new ATOM 0 HG23 VAL A 183 17.926 11.028 -0.811 1.00 33.13 H new ATOM 255 N ASN A 184 20.694 11.387 0.956 1.00 3.30 N ATOM 256 CA ASN A 184 20.823 12.646 1.680 1.00 4.12 C ATOM 257 C ASN A 184 21.105 13.799 0.722 1.00 53.54 C ATOM 258 O ASN A 184 20.560 14.892 0.873 1.00 60.22 O ATOM 259 CB ASN A 184 21.942 12.548 2.720 1.00 51.14 C ATOM 260 CG ASN A 184 22.033 13.786 3.591 1.00 73.40 C ATOM 261 OD1 ASN A 184 21.222 14.704 3.470 1.00 13.42 O ATOM 262 ND2 ASN A 184 23.023 13.816 4.475 1.00 52.34 N ATOM 0 H ASN A 184 21.429 11.218 0.270 1.00 3.30 H new ATOM 0 HA ASN A 184 19.879 12.842 2.188 1.00 4.12 H new ATOM 0 HB2 ASN A 184 21.773 11.675 3.351 1.00 51.14 H new ATOM 0 HB3 ASN A 184 22.894 12.394 2.212 1.00 51.14 H new ATOM 0 HD21 ASN A 184 23.134 14.623 5.089 1.00 52.34 H new ATOM 0 HD22 ASN A 184 23.672 13.032 4.540 1.00 52.34 H new ATOM 269 N MET A 185 21.958 13.547 -0.265 1.00 35.31 N ATOM 270 CA MET A 185 22.310 14.563 -1.249 1.00 72.14 C ATOM 271 C MET A 185 22.975 13.932 -2.469 1.00 2.10 C ATOM 272 O MET A 185 22.992 12.710 -2.616 1.00 31.31 O ATOM 273 CB MET A 185 23.242 15.605 -0.627 1.00 40.14 C ATOM 274 CG MET A 185 22.740 17.033 -0.770 1.00 61.42 C ATOM 275 SD MET A 185 22.998 18.012 0.722 1.00 71.05 S ATOM 276 CE MET A 185 21.557 17.552 1.681 1.00 41.30 C ATOM 0 H MET A 185 22.418 12.648 -0.404 1.00 35.31 H new ATOM 0 HA MET A 185 21.392 15.054 -1.571 1.00 72.14 H new ATOM 0 HB2 MET A 185 23.372 15.379 0.431 1.00 40.14 H new ATOM 0 HB3 MET A 185 24.224 15.526 -1.093 1.00 40.14 H new ATOM 0 HG2 MET A 185 23.250 17.511 -1.606 1.00 61.42 H new ATOM 0 HG3 MET A 185 21.677 17.018 -1.011 1.00 61.42 H new ATOM 0 HE1 MET A 185 21.215 18.411 2.258 1.00 41.30 H new ATOM 0 HE2 MET A 185 20.762 17.226 1.010 1.00 41.30 H new ATOM 0 HE3 MET A 185 21.816 16.739 2.359 1.00 41.30 H new ATOM 286 N TYR A 186 23.522 14.773 -3.340 1.00 73.05 N ATOM 287 CA TYR A 186 24.186 14.297 -4.547 1.00 75.25 C ATOM 288 C TYR A 186 25.651 14.722 -4.567 1.00 20.23 C ATOM 289 O TYR A 186 25.935 15.914 -4.470 1.00 11.34 O ATOM 290 CB TYR A 186 23.472 14.831 -5.791 1.00 62.22 C ATOM 291 CG TYR A 186 24.351 14.877 -7.020 1.00 44.15 C ATOM 292 CD1 TYR A 186 24.711 13.711 -7.686 1.00 55.21 C ATOM 293 CD2 TYR A 186 24.824 16.086 -7.516 1.00 4.31 C ATOM 294 CE1 TYR A 186 25.514 13.749 -8.809 1.00 64.41 C ATOM 295 CE2 TYR A 186 25.627 16.133 -8.638 1.00 50.33 C ATOM 296 CZ TYR A 186 25.969 14.962 -9.282 1.00 63.51 C ATOM 297 OH TYR A 186 26.771 15.005 -10.400 1.00 74.42 O ATOM 0 H TYR A 186 23.518 15.787 -3.232 1.00 73.05 H new ATOM 0 HA TYR A 186 24.142 13.208 -4.550 1.00 75.25 H new ATOM 0 HB2 TYR A 186 22.604 14.205 -5.998 1.00 62.22 H new ATOM 0 HB3 TYR A 186 23.099 15.834 -5.583 1.00 62.22 H new ATOM 0 HD1 TYR A 186 24.357 12.759 -7.319 1.00 55.21 H new ATOM 0 HD2 TYR A 186 24.559 17.005 -7.015 1.00 4.31 H new ATOM 0 HE1 TYR A 186 25.784 12.834 -9.314 1.00 64.41 H new ATOM 0 HE2 TYR A 186 25.986 17.082 -9.010 1.00 50.33 H new ATOM 0 HH TYR A 186 27.003 15.936 -10.601 1.00 74.42 H new ATOM 307 N CYS A 187 26.540 13.746 -4.691 1.00 55.33 N ATOM 308 CA CYS A 187 27.964 14.030 -4.723 1.00 15.34 C ATOM 309 C CYS A 187 28.332 14.488 -6.135 1.00 54.02 C ATOM 310 O CYS A 187 28.352 13.711 -7.089 1.00 24.52 O ATOM 311 CB CYS A 187 28.791 12.822 -4.281 1.00 3.12 C ATOM 312 SG CYS A 187 29.602 13.171 -2.678 1.00 2.34 S ATOM 0 H CYS A 187 26.301 12.758 -4.770 1.00 55.33 H new ATOM 0 HA CYS A 187 28.195 14.825 -4.014 1.00 15.34 H new ATOM 0 HB2 CYS A 187 28.150 11.945 -4.190 1.00 3.12 H new ATOM 0 HB3 CYS A 187 29.543 12.590 -5.035 1.00 3.12 H new ATOM 317 N VAL A 188 28.622 15.780 -6.249 1.00 3.42 N ATOM 318 CA VAL A 188 28.994 16.370 -7.530 1.00 60.00 C ATOM 319 C VAL A 188 30.409 15.966 -7.931 1.00 52.33 C ATOM 320 O VAL A 188 30.742 15.923 -9.116 1.00 71.12 O ATOM 321 CB VAL A 188 28.904 17.907 -7.487 1.00 32.22 C ATOM 322 CG1 VAL A 188 29.302 18.503 -8.828 1.00 42.13 C ATOM 323 CG2 VAL A 188 27.501 18.347 -7.094 1.00 51.55 C ATOM 0 H VAL A 188 28.607 16.438 -5.470 1.00 3.42 H new ATOM 0 HA VAL A 188 28.288 15.992 -8.269 1.00 60.00 H new ATOM 0 HB VAL A 188 29.600 18.274 -6.733 1.00 32.22 H new ATOM 0 HG11 VAL A 188 29.232 19.590 -8.778 1.00 42.13 H new ATOM 0 HG12 VAL A 188 30.327 18.216 -9.064 1.00 42.13 H new ATOM 0 HG13 VAL A 188 28.633 18.132 -9.604 1.00 42.13 H new ATOM 0 HG21 VAL A 188 27.455 19.436 -7.068 1.00 51.55 H new ATOM 0 HG22 VAL A 188 26.784 17.970 -7.823 1.00 51.55 H new ATOM 0 HG23 VAL A 188 27.258 17.950 -6.108 1.00 51.55 H new ATOM 333 N THR A 189 31.239 15.671 -6.936 1.00 33.53 N ATOM 334 CA THR A 189 32.618 15.272 -7.184 1.00 0.41 C ATOM 335 C THR A 189 32.681 13.986 -8.000 1.00 12.03 C ATOM 336 O THR A 189 33.289 13.948 -9.070 1.00 2.23 O ATOM 337 CB THR A 189 33.391 15.069 -5.867 1.00 13.23 C ATOM 338 OG1 THR A 189 32.498 14.619 -4.841 1.00 23.23 O ATOM 339 CG2 THR A 189 34.064 16.361 -5.428 1.00 75.33 C ATOM 0 H THR A 189 30.980 15.701 -5.950 1.00 33.53 H new ATOM 0 HA THR A 189 33.083 16.080 -7.748 1.00 0.41 H new ATOM 0 HB THR A 189 34.161 14.317 -6.036 1.00 13.23 H new ATOM 0 HG1 THR A 189 32.418 13.643 -4.882 1.00 23.23 H new ATOM 0 HG21 THR A 189 34.603 16.192 -4.496 1.00 75.33 H new ATOM 0 HG22 THR A 189 34.763 16.687 -6.198 1.00 75.33 H new ATOM 0 HG23 THR A 189 33.308 17.131 -5.275 1.00 75.33 H new ATOM 347 N ASP A 190 32.049 12.936 -7.489 1.00 55.21 N ATOM 348 CA ASP A 190 32.031 11.648 -8.172 1.00 31.43 C ATOM 349 C ASP A 190 30.836 11.550 -9.116 1.00 43.13 C ATOM 350 O ASP A 190 30.764 10.646 -9.950 1.00 22.44 O ATOM 351 CB ASP A 190 31.987 10.507 -7.154 1.00 32.43 C ATOM 352 CG ASP A 190 32.761 10.829 -5.891 1.00 34.34 C ATOM 353 OD1 ASP A 190 32.162 11.407 -4.959 1.00 23.40 O ATOM 354 OD2 ASP A 190 33.965 10.501 -5.832 1.00 55.05 O ATOM 0 H ASP A 190 31.542 12.951 -6.604 1.00 55.21 H new ATOM 0 HA ASP A 190 32.944 11.564 -8.761 1.00 31.43 H new ATOM 0 HB2 ASP A 190 30.950 10.293 -6.897 1.00 32.43 H new ATOM 0 HB3 ASP A 190 32.396 9.604 -7.607 1.00 32.43 H new ATOM 359 N ASP A 191 29.903 12.485 -8.980 1.00 22.52 N ATOM 360 CA ASP A 191 28.712 12.503 -9.820 1.00 52.30 C ATOM 361 C ASP A 191 27.852 11.268 -9.573 1.00 21.40 C ATOM 362 O ASP A 191 27.586 10.493 -10.491 1.00 34.21 O ATOM 363 CB ASP A 191 29.105 12.580 -11.297 1.00 34.21 C ATOM 364 CG ASP A 191 28.005 13.170 -12.158 1.00 41.23 C ATOM 365 OD1 ASP A 191 26.900 12.589 -12.189 1.00 43.35 O ATOM 366 OD2 ASP A 191 28.250 14.212 -12.803 1.00 23.15 O ATOM 0 H ASP A 191 29.948 13.240 -8.296 1.00 22.52 H new ATOM 0 HA ASP A 191 28.128 13.386 -9.560 1.00 52.30 H new ATOM 0 HB2 ASP A 191 30.006 13.184 -11.399 1.00 34.21 H new ATOM 0 HB3 ASP A 191 29.349 11.581 -11.658 1.00 34.21 H new ATOM 371 N GLN A 192 27.423 11.091 -8.328 1.00 14.24 N ATOM 372 CA GLN A 192 26.595 9.949 -7.961 1.00 73.51 C ATOM 373 C GLN A 192 25.893 10.191 -6.628 1.00 62.25 C ATOM 374 O GLN A 192 26.537 10.472 -5.617 1.00 42.40 O ATOM 375 CB GLN A 192 27.446 8.680 -7.880 1.00 1.34 C ATOM 376 CG GLN A 192 26.757 7.448 -8.444 1.00 3.40 C ATOM 377 CD GLN A 192 27.688 6.592 -9.280 1.00 32.31 C ATOM 378 OE1 GLN A 192 27.926 6.877 -10.454 1.00 41.24 O ATOM 379 NE2 GLN A 192 28.219 5.534 -8.679 1.00 22.22 N ATOM 0 H GLN A 192 27.635 11.724 -7.557 1.00 14.24 H new ATOM 0 HA GLN A 192 25.836 9.820 -8.732 1.00 73.51 H new ATOM 0 HB2 GLN A 192 28.379 8.843 -8.420 1.00 1.34 H new ATOM 0 HB3 GLN A 192 27.708 8.494 -6.838 1.00 1.34 H new ATOM 0 HG2 GLN A 192 26.359 6.851 -7.623 1.00 3.40 H new ATOM 0 HG3 GLN A 192 25.908 7.758 -9.054 1.00 3.40 H new ATOM 0 HE21 GLN A 192 27.994 5.335 -7.704 1.00 22.22 H new ATOM 0 HE22 GLN A 192 28.852 4.920 -9.192 1.00 22.22 H new ATOM 388 N LEU A 193 24.570 10.079 -6.634 1.00 34.42 N ATOM 389 CA LEU A 193 23.779 10.286 -5.425 1.00 61.13 C ATOM 390 C LEU A 193 24.297 9.420 -4.281 1.00 42.52 C ATOM 391 O LEU A 193 24.824 8.330 -4.503 1.00 55.14 O ATOM 392 CB LEU A 193 22.307 9.968 -5.694 1.00 73.31 C ATOM 393 CG LEU A 193 21.302 11.046 -5.286 1.00 60.20 C ATOM 394 CD1 LEU A 193 20.098 11.031 -6.215 1.00 53.41 C ATOM 395 CD2 LEU A 193 20.866 10.849 -3.841 1.00 53.14 C ATOM 0 H LEU A 193 24.022 9.846 -7.462 1.00 34.42 H new ATOM 0 HA LEU A 193 23.871 11.333 -5.135 1.00 61.13 H new ATOM 0 HB2 LEU A 193 22.187 9.772 -6.760 1.00 73.31 H new ATOM 0 HB3 LEU A 193 22.054 9.046 -5.170 1.00 73.31 H new ATOM 0 HG LEU A 193 21.787 12.019 -5.369 1.00 60.20 H new ATOM 0 HD11 LEU A 193 19.393 11.804 -5.910 1.00 53.41 H new ATOM 0 HD12 LEU A 193 20.425 11.221 -7.237 1.00 53.41 H new ATOM 0 HD13 LEU A 193 19.612 10.057 -6.165 1.00 53.41 H new ATOM 0 HD21 LEU A 193 20.151 11.625 -3.568 1.00 53.14 H new ATOM 0 HD22 LEU A 193 20.399 9.870 -3.732 1.00 53.14 H new ATOM 0 HD23 LEU A 193 21.736 10.911 -3.187 1.00 53.14 H new ATOM 407 N ILE A 194 24.143 9.914 -3.057 1.00 23.52 N ATOM 408 CA ILE A 194 24.593 9.185 -1.878 1.00 12.03 C ATOM 409 C ILE A 194 23.695 9.469 -0.678 1.00 52.34 C ATOM 410 O ILE A 194 22.729 10.219 -0.814 1.00 55.23 O ATOM 411 CB ILE A 194 26.045 9.545 -1.513 1.00 42.13 C ATOM 412 CG1 ILE A 194 26.178 11.052 -1.285 1.00 10.12 C ATOM 413 CG2 ILE A 194 26.996 9.084 -2.609 1.00 34.52 C ATOM 414 CD1 ILE A 194 25.930 11.470 0.147 1.00 22.33 C ATOM 0 H ILE A 194 23.710 10.816 -2.856 1.00 23.52 H new ATOM 0 HA ILE A 194 24.541 8.125 -2.125 1.00 12.03 H new ATOM 0 HB ILE A 194 26.310 9.032 -0.589 1.00 42.13 H new ATOM 0 HG12 ILE A 194 27.178 11.369 -1.580 1.00 10.12 H new ATOM 0 HG13 ILE A 194 25.474 11.573 -1.934 1.00 10.12 H new ATOM 0 HG21 ILE A 194 28.019 9.345 -2.337 1.00 34.52 H new ATOM 0 HG22 ILE A 194 26.917 8.003 -2.728 1.00 34.52 H new ATOM 0 HG23 ILE A 194 26.734 9.573 -3.547 1.00 34.52 H new ATOM 0 HD11 ILE A 194 26.041 12.551 0.235 1.00 22.33 H new ATOM 0 HD12 ILE A 194 24.920 11.184 0.440 1.00 22.33 H new ATOM 0 HD13 ILE A 194 26.650 10.977 0.800 1.00 22.33 H new ATOM 426 N CYS A 195 24.029 8.873 0.456 1.00 12.42 N ATOM 427 CA CYS A 195 23.246 9.073 1.665 1.00 4.10 C ATOM 428 C CYS A 195 24.187 9.547 2.774 1.00 41.52 C ATOM 429 O CYS A 195 25.376 9.787 2.563 1.00 14.01 O ATOM 430 CB CYS A 195 22.487 7.805 2.063 1.00 44.13 C ATOM 431 SG CYS A 195 23.664 6.529 2.643 1.00 23.25 S ATOM 0 H CYS A 195 24.831 8.252 0.564 1.00 12.42 H new ATOM 0 HA CYS A 195 22.485 9.833 1.487 1.00 4.10 H new ATOM 0 HB2 CYS A 195 21.768 8.033 2.850 1.00 44.13 H new ATOM 0 HB3 CYS A 195 21.919 7.428 1.212 1.00 44.13 H new ATOM 436 N ALA A 196 23.624 9.678 3.971 1.00 61.42 N ATOM 437 CA ALA A 196 24.388 10.118 5.131 1.00 61.11 C ATOM 438 C ALA A 196 25.324 9.017 5.621 1.00 14.14 C ATOM 439 O ALA A 196 26.436 9.290 6.076 1.00 51.35 O ATOM 440 CB ALA A 196 23.451 10.552 6.247 1.00 72.21 C ATOM 0 H ALA A 196 22.641 9.485 4.162 1.00 61.42 H new ATOM 0 HA ALA A 196 24.997 10.971 4.832 1.00 61.11 H new ATOM 0 HB1 ALA A 196 24.036 10.878 7.107 1.00 72.21 H new ATOM 0 HB2 ALA A 196 22.827 11.376 5.899 1.00 72.21 H new ATOM 0 HB3 ALA A 196 22.817 9.714 6.536 1.00 72.21 H new ATOM 446 N LEU A 197 24.867 7.774 5.526 1.00 33.32 N ATOM 447 CA LEU A 197 25.663 6.631 5.961 1.00 5.41 C ATOM 448 C LEU A 197 26.918 6.485 5.106 1.00 72.31 C ATOM 449 O LEU A 197 27.897 5.902 5.569 1.00 1.31 O ATOM 450 CB LEU A 197 24.832 5.349 5.891 1.00 14.14 C ATOM 451 CG LEU A 197 24.925 4.421 7.103 1.00 43.42 C ATOM 452 CD1 LEU A 197 23.566 3.818 7.420 1.00 11.34 C ATOM 453 CD2 LEU A 197 25.952 3.325 6.858 1.00 4.51 C ATOM 0 H LEU A 197 23.950 7.531 5.152 1.00 33.32 H new ATOM 0 HA LEU A 197 25.967 6.803 6.994 1.00 5.41 H new ATOM 0 HB2 LEU A 197 23.787 5.625 5.749 1.00 14.14 H new ATOM 0 HB3 LEU A 197 25.137 4.790 5.006 1.00 14.14 H new ATOM 0 HG LEU A 197 25.248 5.009 7.962 1.00 43.42 H new ATOM 0 HD11 LEU A 197 23.652 3.161 8.285 1.00 11.34 H new ATOM 0 HD12 LEU A 197 22.856 4.616 7.640 1.00 11.34 H new ATOM 0 HD13 LEU A 197 23.213 3.245 6.563 1.00 11.34 H new ATOM 0 HD21 LEU A 197 26.005 2.674 7.731 1.00 4.51 H new ATOM 0 HD22 LEU A 197 25.659 2.740 5.986 1.00 4.51 H new ATOM 0 HD23 LEU A 197 26.929 3.775 6.681 1.00 4.51 H new ATOM 465 N CYS A 198 26.862 7.012 3.892 1.00 45.43 N ATOM 466 CA CYS A 198 28.000 6.936 2.991 1.00 73.25 C ATOM 467 C CYS A 198 28.985 8.044 3.365 1.00 1.12 C ATOM 468 O CYS A 198 30.205 7.892 3.275 1.00 54.34 O ATOM 469 CB CYS A 198 27.567 7.027 1.526 1.00 14.41 C ATOM 470 SG CYS A 198 26.913 5.414 0.963 1.00 24.13 S ATOM 0 H CYS A 198 26.047 7.493 3.511 1.00 45.43 H new ATOM 0 HA CYS A 198 28.488 5.967 3.098 1.00 73.25 H new ATOM 0 HB2 CYS A 198 26.805 7.798 1.411 1.00 14.41 H new ATOM 0 HB3 CYS A 198 28.414 7.321 0.906 1.00 14.41 H new ATOM 475 N LYS A 199 28.427 9.172 3.792 1.00 61.01 N ATOM 476 CA LYS A 199 29.232 10.321 4.190 1.00 74.33 C ATOM 477 C LYS A 199 29.837 10.110 5.573 1.00 31.32 C ATOM 478 O LYS A 199 30.755 10.824 5.977 1.00 51.10 O ATOM 479 CB LYS A 199 28.379 11.592 4.183 1.00 50.24 C ATOM 480 CG LYS A 199 27.861 11.971 2.805 1.00 33.45 C ATOM 481 CD LYS A 199 27.778 13.478 2.636 1.00 55.22 C ATOM 482 CE LYS A 199 26.692 14.078 3.517 1.00 10.23 C ATOM 483 NZ LYS A 199 26.279 15.429 3.045 1.00 63.24 N ATOM 0 H LYS A 199 27.420 9.315 3.871 1.00 61.01 H new ATOM 0 HA LYS A 199 30.044 10.430 3.472 1.00 74.33 H new ATOM 0 HB2 LYS A 199 27.532 11.454 4.855 1.00 50.24 H new ATOM 0 HB3 LYS A 199 28.970 12.418 4.580 1.00 50.24 H new ATOM 0 HG2 LYS A 199 28.517 11.554 2.041 1.00 33.45 H new ATOM 0 HG3 LYS A 199 26.875 11.532 2.652 1.00 33.45 H new ATOM 0 HD2 LYS A 199 28.740 13.927 2.885 1.00 55.22 H new ATOM 0 HD3 LYS A 199 27.575 13.718 1.592 1.00 55.22 H new ATOM 0 HE2 LYS A 199 25.826 13.416 3.527 1.00 10.23 H new ATOM 0 HE3 LYS A 199 27.053 14.146 4.543 1.00 10.23 H new ATOM 0 HZ1 LYS A 199 25.538 15.804 3.671 1.00 63.24 H new ATOM 0 HZ2 LYS A 199 27.100 16.068 3.059 1.00 63.24 H new ATOM 0 HZ3 LYS A 199 25.911 15.360 2.075 1.00 63.24 H new ATOM 497 N LEU A 200 29.317 9.123 6.297 1.00 64.03 N ATOM 498 CA LEU A 200 29.809 8.815 7.636 1.00 54.32 C ATOM 499 C LEU A 200 30.654 7.546 7.627 1.00 15.34 C ATOM 500 O LEU A 200 31.727 7.498 8.229 1.00 30.12 O ATOM 501 CB LEU A 200 28.636 8.655 8.606 1.00 63.04 C ATOM 502 CG LEU A 200 28.846 9.220 10.011 1.00 2.21 C ATOM 503 CD1 LEU A 200 29.029 10.730 9.957 1.00 70.11 C ATOM 504 CD2 LEU A 200 27.677 8.855 10.913 1.00 72.13 C ATOM 0 H LEU A 200 28.556 8.523 5.979 1.00 64.03 H new ATOM 0 HA LEU A 200 30.436 9.643 7.966 1.00 54.32 H new ATOM 0 HB2 LEU A 200 27.761 9.137 8.169 1.00 63.04 H new ATOM 0 HB3 LEU A 200 28.405 7.593 8.694 1.00 63.04 H new ATOM 0 HG LEU A 200 29.752 8.779 10.428 1.00 2.21 H new ATOM 0 HD11 LEU A 200 29.177 11.115 10.966 1.00 70.11 H new ATOM 0 HD12 LEU A 200 29.899 10.969 9.346 1.00 70.11 H new ATOM 0 HD13 LEU A 200 28.142 11.189 9.520 1.00 70.11 H new ATOM 0 HD21 LEU A 200 27.844 9.265 11.909 1.00 72.13 H new ATOM 0 HD22 LEU A 200 26.756 9.267 10.500 1.00 72.13 H new ATOM 0 HD23 LEU A 200 27.592 7.770 10.977 1.00 72.13 H new ATOM 516 N VAL A 201 30.164 6.519 6.938 1.00 5.42 N ATOM 517 CA VAL A 201 30.876 5.251 6.848 1.00 24.22 C ATOM 518 C VAL A 201 31.823 5.236 5.652 1.00 14.21 C ATOM 519 O VAL A 201 32.958 4.775 5.753 1.00 44.43 O ATOM 520 CB VAL A 201 29.899 4.066 6.730 1.00 2.43 C ATOM 521 CG1 VAL A 201 30.658 2.748 6.715 1.00 21.30 C ATOM 522 CG2 VAL A 201 28.888 4.096 7.865 1.00 72.33 C ATOM 0 H VAL A 201 29.277 6.542 6.435 1.00 5.42 H new ATOM 0 HA VAL A 201 31.453 5.146 7.767 1.00 24.22 H new ATOM 0 HB VAL A 201 29.357 4.156 5.789 1.00 2.43 H new ATOM 0 HG11 VAL A 201 29.951 1.922 6.631 1.00 21.30 H new ATOM 0 HG12 VAL A 201 31.339 2.730 5.865 1.00 21.30 H new ATOM 0 HG13 VAL A 201 31.228 2.646 7.639 1.00 21.30 H new ATOM 0 HG21 VAL A 201 28.205 3.252 7.767 1.00 72.33 H new ATOM 0 HG22 VAL A 201 29.410 4.031 8.819 1.00 72.33 H new ATOM 0 HG23 VAL A 201 28.322 5.027 7.824 1.00 72.33 H new ATOM 532 N GLY A 202 31.346 5.744 4.520 1.00 54.41 N ATOM 533 CA GLY A 202 32.161 5.780 3.321 1.00 44.12 C ATOM 534 C GLY A 202 33.226 6.858 3.376 1.00 53.44 C ATOM 535 O GLY A 202 33.813 7.107 4.428 1.00 1.42 O ATOM 0 H GLY A 202 30.409 6.132 4.412 1.00 54.41 H new ATOM 0 HA2 GLY A 202 32.637 4.810 3.180 1.00 44.12 H new ATOM 0 HA3 GLY A 202 31.521 5.950 2.455 1.00 44.12 H new ATOM 539 N ARG A 203 33.476 7.499 2.238 1.00 21.24 N ATOM 540 CA ARG A 203 34.479 8.553 2.160 1.00 3.21 C ATOM 541 C ARG A 203 33.900 9.807 1.512 1.00 43.30 C ATOM 542 O ARG A 203 34.633 10.628 0.958 1.00 61.20 O ATOM 543 CB ARG A 203 35.696 8.072 1.367 1.00 2.22 C ATOM 544 CG ARG A 203 37.020 8.585 1.911 1.00 74.51 C ATOM 545 CD ARG A 203 38.199 7.879 1.261 1.00 41.32 C ATOM 546 NE ARG A 203 39.148 7.374 2.249 1.00 4.54 N ATOM 547 CZ ARG A 203 40.174 6.586 1.947 1.00 12.23 C ATOM 548 NH1 ARG A 203 40.382 6.214 0.692 1.00 14.03 N ATOM 549 NH2 ARG A 203 40.994 6.168 2.903 1.00 42.04 N ATOM 0 H ARG A 203 32.997 7.306 1.358 1.00 21.24 H new ATOM 0 HA ARG A 203 34.790 8.799 3.175 1.00 3.21 H new ATOM 0 HB2 ARG A 203 35.711 6.982 1.367 1.00 2.22 H new ATOM 0 HB3 ARG A 203 35.592 8.390 0.330 1.00 2.22 H new ATOM 0 HG2 ARG A 203 37.095 9.658 1.736 1.00 74.51 H new ATOM 0 HG3 ARG A 203 37.054 8.435 2.990 1.00 74.51 H new ATOM 0 HD2 ARG A 203 37.835 7.051 0.652 1.00 41.32 H new ATOM 0 HD3 ARG A 203 38.709 8.569 0.589 1.00 41.32 H new ATOM 0 HE ARG A 203 39.016 7.641 3.225 1.00 4.54 H new ATOM 0 HH11 ARG A 203 39.753 6.533 -0.045 1.00 14.03 H new ATOM 0 HH12 ARG A 203 41.171 5.609 0.463 1.00 14.03 H new ATOM 0 HH21 ARG A 203 40.837 6.452 3.870 1.00 42.04 H new ATOM 0 HH22 ARG A 203 41.782 5.563 2.671 1.00 42.04 H new ATOM 563 N HIS A 204 32.581 9.949 1.584 1.00 13.33 N ATOM 564 CA HIS A 204 31.903 11.103 1.004 1.00 11.40 C ATOM 565 C HIS A 204 31.669 12.182 2.057 1.00 43.51 C ATOM 566 O HIS A 204 30.636 12.852 2.054 1.00 31.22 O ATOM 567 CB HIS A 204 30.570 10.681 0.385 1.00 23.44 C ATOM 568 CG HIS A 204 30.687 9.522 -0.557 1.00 51.41 C ATOM 569 ND1 HIS A 204 30.967 9.670 -1.899 1.00 11.10 N ATOM 570 CD2 HIS A 204 30.562 8.191 -0.344 1.00 44.43 C ATOM 571 CE1 HIS A 204 31.007 8.480 -2.472 1.00 43.50 C ATOM 572 NE2 HIS A 204 30.766 7.566 -1.550 1.00 4.32 N ATOM 0 H HIS A 204 31.960 9.279 2.038 1.00 13.33 H new ATOM 0 HA HIS A 204 32.543 11.514 0.224 1.00 11.40 H new ATOM 0 HB2 HIS A 204 29.874 10.421 1.183 1.00 23.44 H new ATOM 0 HB3 HIS A 204 30.141 11.530 -0.148 1.00 23.44 H new ATOM 0 HD2 HIS A 204 30.343 7.710 0.598 1.00 44.43 H new ATOM 0 HE1 HIS A 204 31.203 8.288 -3.516 1.00 43.50 H new ATOM 0 HE2 HIS A 204 30.736 6.559 -1.708 1.00 4.32 H new ATOM 579 N ARG A 205 32.636 12.345 2.954 1.00 20.13 N ATOM 580 CA ARG A 205 32.534 13.342 4.014 1.00 70.23 C ATOM 581 C ARG A 205 33.213 14.645 3.602 1.00 72.23 C ATOM 582 O ARG A 205 32.782 15.731 3.992 1.00 30.33 O ATOM 583 CB ARG A 205 33.164 12.812 5.303 1.00 2.02 C ATOM 584 CG ARG A 205 34.683 12.757 5.262 1.00 74.24 C ATOM 585 CD ARG A 205 35.257 12.213 6.560 1.00 33.32 C ATOM 586 NE ARG A 205 36.515 11.504 6.348 1.00 45.53 N ATOM 587 CZ ARG A 205 36.590 10.255 5.902 1.00 23.43 C ATOM 588 NH1 ARG A 205 35.484 9.580 5.624 1.00 34.00 N ATOM 589 NH2 ARG A 205 37.774 9.679 5.735 1.00 22.50 N ATOM 0 H ARG A 205 33.498 11.800 2.968 1.00 20.13 H new ATOM 0 HA ARG A 205 31.477 13.543 4.189 1.00 70.23 H new ATOM 0 HB2 ARG A 205 32.854 13.444 6.135 1.00 2.02 H new ATOM 0 HB3 ARG A 205 32.778 11.812 5.501 1.00 2.02 H new ATOM 0 HG2 ARG A 205 35.003 12.129 4.430 1.00 74.24 H new ATOM 0 HG3 ARG A 205 35.079 13.756 5.078 1.00 74.24 H new ATOM 0 HD2 ARG A 205 35.417 13.035 7.258 1.00 33.32 H new ATOM 0 HD3 ARG A 205 34.535 11.539 7.021 1.00 33.32 H new ATOM 0 HE ARG A 205 37.385 11.995 6.554 1.00 45.53 H new ATOM 0 HH11 ARG A 205 34.572 10.019 5.752 1.00 34.00 H new ATOM 0 HH12 ARG A 205 35.544 8.621 5.282 1.00 34.00 H new ATOM 0 HH21 ARG A 205 38.627 10.195 5.949 1.00 22.50 H new ATOM 0 HH22 ARG A 205 37.831 8.720 5.393 1.00 22.50 H new ATOM 603 N ASP A 206 34.274 14.529 2.811 1.00 21.15 N ATOM 604 CA ASP A 206 35.012 15.697 2.346 1.00 51.10 C ATOM 605 C ASP A 206 34.702 15.987 0.881 1.00 45.01 C ATOM 606 O ASP A 206 35.326 16.850 0.262 1.00 21.24 O ATOM 607 CB ASP A 206 36.515 15.485 2.530 1.00 24.14 C ATOM 608 CG ASP A 206 36.986 15.858 3.922 1.00 5.42 C ATOM 609 OD1 ASP A 206 36.742 17.009 4.342 1.00 71.15 O ATOM 610 OD2 ASP A 206 37.600 15.001 4.591 1.00 0.32 O ATOM 0 H ASP A 206 34.642 13.638 2.479 1.00 21.15 H new ATOM 0 HA ASP A 206 34.699 16.554 2.942 1.00 51.10 H new ATOM 0 HB2 ASP A 206 36.758 14.441 2.335 1.00 24.14 H new ATOM 0 HB3 ASP A 206 37.056 16.081 1.795 1.00 24.14 H new ATOM 615 N HIS A 207 33.736 15.258 0.330 1.00 42.21 N ATOM 616 CA HIS A 207 33.344 15.437 -1.063 1.00 41.15 C ATOM 617 C HIS A 207 32.427 16.647 -1.219 1.00 12.12 C ATOM 618 O HIS A 207 32.037 17.272 -0.233 1.00 3.15 O ATOM 619 CB HIS A 207 32.642 14.182 -1.582 1.00 65.14 C ATOM 620 CG HIS A 207 33.562 13.013 -1.763 1.00 11.34 C ATOM 621 ND1 HIS A 207 33.130 11.772 -2.180 1.00 32.52 N ATOM 622 CD2 HIS A 207 34.899 12.902 -1.581 1.00 41.44 C ATOM 623 CE1 HIS A 207 34.160 10.948 -2.246 1.00 2.14 C ATOM 624 NE2 HIS A 207 35.245 11.610 -1.888 1.00 23.44 N ATOM 0 H HIS A 207 33.211 14.538 0.827 1.00 42.21 H new ATOM 0 HA HIS A 207 34.247 15.609 -1.649 1.00 41.15 H new ATOM 0 HB2 HIS A 207 31.849 13.906 -0.887 1.00 65.14 H new ATOM 0 HB3 HIS A 207 32.166 14.410 -2.535 1.00 65.14 H new ATOM 0 HD2 HIS A 207 35.568 13.684 -1.255 1.00 41.44 H new ATOM 0 HE1 HIS A 207 34.121 9.910 -2.542 1.00 2.14 H new ATOM 0 HE2 HIS A 207 36.188 11.223 -1.846 1.00 23.44 H new ATOM 631 N GLN A 208 32.089 16.971 -2.463 1.00 63.00 N ATOM 632 CA GLN A 208 31.219 18.106 -2.746 1.00 41.44 C ATOM 633 C GLN A 208 29.785 17.647 -2.989 1.00 63.02 C ATOM 634 O GLN A 208 29.552 16.583 -3.563 1.00 44.32 O ATOM 635 CB GLN A 208 31.733 18.878 -3.962 1.00 42.24 C ATOM 636 CG GLN A 208 32.414 20.190 -3.607 1.00 40.33 C ATOM 637 CD GLN A 208 33.622 20.476 -4.478 1.00 21.32 C ATOM 638 OE1 GLN A 208 34.742 20.085 -4.151 1.00 24.05 O ATOM 639 NE2 GLN A 208 33.401 21.160 -5.593 1.00 54.43 N ATOM 0 H GLN A 208 32.404 16.464 -3.290 1.00 63.00 H new ATOM 0 HA GLN A 208 31.227 18.763 -1.876 1.00 41.44 H new ATOM 0 HB2 GLN A 208 32.436 18.250 -4.510 1.00 42.24 H new ATOM 0 HB3 GLN A 208 30.898 19.082 -4.632 1.00 42.24 H new ATOM 0 HG2 GLN A 208 31.698 21.005 -3.707 1.00 40.33 H new ATOM 0 HG3 GLN A 208 32.723 20.163 -2.562 1.00 40.33 H new ATOM 0 HE21 GLN A 208 32.456 21.465 -5.825 1.00 54.43 H new ATOM 0 HE22 GLN A 208 34.176 21.381 -6.218 1.00 54.43 H new ATOM 648 N VAL A 209 28.827 18.455 -2.549 1.00 52.41 N ATOM 649 CA VAL A 209 27.416 18.132 -2.719 1.00 52.30 C ATOM 650 C VAL A 209 26.585 19.393 -2.934 1.00 45.43 C ATOM 651 O VAL A 209 27.125 20.495 -3.025 1.00 14.11 O ATOM 652 CB VAL A 209 26.863 17.370 -1.500 1.00 22.21 C ATOM 653 CG1 VAL A 209 27.609 16.057 -1.309 1.00 11.41 C ATOM 654 CG2 VAL A 209 26.952 18.231 -0.249 1.00 63.43 C ATOM 0 H VAL A 209 29.002 19.339 -2.072 1.00 52.41 H new ATOM 0 HA VAL A 209 27.342 17.496 -3.601 1.00 52.30 H new ATOM 0 HB VAL A 209 25.813 17.141 -1.681 1.00 22.21 H new ATOM 0 HG11 VAL A 209 27.205 15.532 -0.443 1.00 11.41 H new ATOM 0 HG12 VAL A 209 27.489 15.438 -2.198 1.00 11.41 H new ATOM 0 HG13 VAL A 209 28.668 16.260 -1.149 1.00 11.41 H new ATOM 0 HG21 VAL A 209 26.557 17.677 0.603 1.00 63.43 H new ATOM 0 HG22 VAL A 209 27.993 18.492 -0.061 1.00 63.43 H new ATOM 0 HG23 VAL A 209 26.370 19.141 -0.392 1.00 63.43 H new ATOM 664 N ALA A 210 25.270 19.222 -3.016 1.00 21.15 N ATOM 665 CA ALA A 210 24.365 20.345 -3.219 1.00 52.32 C ATOM 666 C ALA A 210 23.131 20.224 -2.331 1.00 73.13 C ATOM 667 O ALA A 210 22.285 19.356 -2.545 1.00 34.42 O ATOM 668 CB ALA A 210 23.958 20.438 -4.682 1.00 51.11 C ATOM 0 H ALA A 210 24.808 18.316 -2.945 1.00 21.15 H new ATOM 0 HA ALA A 210 24.892 21.258 -2.941 1.00 52.32 H new ATOM 0 HB1 ALA A 210 23.282 21.282 -4.819 1.00 51.11 H new ATOM 0 HB2 ALA A 210 24.846 20.581 -5.298 1.00 51.11 H new ATOM 0 HB3 ALA A 210 23.455 19.518 -4.979 1.00 51.11 H new ATOM 674 N ALA A 211 23.035 21.098 -1.335 1.00 52.51 N ATOM 675 CA ALA A 211 21.904 21.089 -0.416 1.00 71.30 C ATOM 676 C ALA A 211 20.823 22.066 -0.865 1.00 21.34 C ATOM 677 O ALA A 211 21.121 23.182 -1.294 1.00 32.13 O ATOM 678 CB ALA A 211 22.368 21.421 0.995 1.00 53.10 C ATOM 0 H ALA A 211 23.728 21.822 -1.144 1.00 52.51 H new ATOM 0 HA ALA A 211 21.473 20.088 -0.418 1.00 71.30 H new ATOM 0 HB1 ALA A 211 21.513 21.411 1.671 1.00 53.10 H new ATOM 0 HB2 ALA A 211 23.098 20.680 1.322 1.00 53.10 H new ATOM 0 HB3 ALA A 211 22.826 22.410 1.004 1.00 53.10 H new ATOM 684 N LEU A 212 19.569 21.641 -0.763 1.00 13.45 N ATOM 685 CA LEU A 212 18.442 22.480 -1.159 1.00 63.42 C ATOM 686 C LEU A 212 18.492 22.786 -2.653 1.00 74.44 C ATOM 687 O LEU A 212 19.300 23.597 -3.104 1.00 63.14 O ATOM 688 CB LEU A 212 18.445 23.784 -0.360 1.00 24.54 C ATOM 689 CG LEU A 212 17.142 24.584 -0.377 1.00 24.51 C ATOM 690 CD1 LEU A 212 16.443 24.492 0.970 1.00 54.41 C ATOM 691 CD2 LEU A 212 17.413 26.035 -0.742 1.00 51.44 C ATOM 0 H LEU A 212 19.306 20.721 -0.410 1.00 13.45 H new ATOM 0 HA LEU A 212 17.522 21.935 -0.948 1.00 63.42 H new ATOM 0 HB2 LEU A 212 18.692 23.552 0.676 1.00 24.54 H new ATOM 0 HB3 LEU A 212 19.243 24.420 -0.743 1.00 24.54 H new ATOM 0 HG LEU A 212 16.484 24.157 -1.134 1.00 24.51 H new ATOM 0 HD11 LEU A 212 15.518 25.067 0.940 1.00 54.41 H new ATOM 0 HD12 LEU A 212 16.215 23.449 1.191 1.00 54.41 H new ATOM 0 HD13 LEU A 212 17.094 24.893 1.746 1.00 54.41 H new ATOM 0 HD21 LEU A 212 16.475 26.590 -0.749 1.00 51.44 H new ATOM 0 HD22 LEU A 212 18.089 26.475 -0.008 1.00 51.44 H new ATOM 0 HD23 LEU A 212 17.870 26.082 -1.730 1.00 51.44 H new ATOM 703 N SER A 213 17.621 22.131 -3.415 1.00 51.33 N ATOM 704 CA SER A 213 17.566 22.332 -4.859 1.00 0.23 C ATOM 705 C SER A 213 17.339 23.803 -5.194 1.00 21.31 C ATOM 706 O SER A 213 16.291 24.367 -4.879 1.00 72.15 O ATOM 707 CB SER A 213 16.454 21.479 -5.472 1.00 23.14 C ATOM 708 OG SER A 213 16.456 20.171 -4.927 1.00 33.12 O ATOM 0 H SER A 213 16.944 21.457 -3.057 1.00 51.33 H new ATOM 0 HA SER A 213 18.523 22.025 -5.281 1.00 0.23 H new ATOM 0 HB2 SER A 213 15.488 21.950 -5.291 1.00 23.14 H new ATOM 0 HB3 SER A 213 16.585 21.426 -6.553 1.00 23.14 H new ATOM 0 HG SER A 213 15.735 19.646 -5.334 1.00 33.12 H new ATOM 714 N GLU A 214 18.328 24.417 -5.835 1.00 41.54 N ATOM 715 CA GLU A 214 18.236 25.822 -6.214 1.00 3.24 C ATOM 716 C GLU A 214 17.071 26.053 -7.172 1.00 64.41 C ATOM 717 O GLU A 214 16.947 27.122 -7.768 1.00 70.25 O ATOM 718 CB GLU A 214 19.543 26.286 -6.861 1.00 34.25 C ATOM 719 CG GLU A 214 20.025 25.376 -7.977 1.00 65.35 C ATOM 720 CD GLU A 214 21.330 24.681 -7.640 1.00 62.25 C ATOM 721 OE1 GLU A 214 21.288 23.644 -6.946 1.00 54.24 O ATOM 722 OE2 GLU A 214 22.394 25.174 -8.071 1.00 24.21 O ATOM 0 H GLU A 214 19.202 23.964 -6.103 1.00 41.54 H new ATOM 0 HA GLU A 214 18.060 26.404 -5.309 1.00 3.24 H new ATOM 0 HB2 GLU A 214 19.405 27.292 -7.258 1.00 34.25 H new ATOM 0 HB3 GLU A 214 20.316 26.348 -6.095 1.00 34.25 H new ATOM 0 HG2 GLU A 214 19.262 24.626 -8.185 1.00 65.35 H new ATOM 0 HG3 GLU A 214 20.154 25.961 -8.888 1.00 65.35 H new TER 729 GLU A 214 HETATM 730 ZN ZN A1175 24.607 4.675 1.359 1.00 31.32 ZN HETATM 731 ZN ZN A1187 31.185 11.506 -2.840 1.00 51.43 ZN