USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 740 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 218 LYS NZ :NH3+ -173:sc= 0.663 (180deg=-0.612) USER MOD Set 1.2: A 295 THR OG1 : rot -142:sc= -0.95! USER MOD Set 2.1: A 234 THR OG1 : rot 180:sc= 0.519 USER MOD Set 2.2: A 270 THR OG1 : rot -96:sc= 0.562 USER MOD Single : A 210 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 211 LYS NZ :NH3+ -153:sc= 1.24 (180deg=0.862) USER MOD Single : A 212 SER OG : rot -130:sc= 1.23 USER MOD Single : A 213 THR OG1 : rot 0:sc= 0.164! USER MOD Single : A 216 GLN :FLIP amide:sc= -0.102 F(o=-2.5!,f=-0.1) USER MOD Single : A 217 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 223 TYR OH : rot -140:sc= -2.14! USER MOD Single : A 224 GLN :FLIP amide:sc= 0 F(o=-1!,f=0) USER MOD Single : A 226 SER OG : rot 180:sc= 0 USER MOD Single : A 227 LYS NZ :NH3+ 159:sc= -0.119 (180deg=-0.545) USER MOD Single : A 229 HIS : no HD1:sc= -0.146 X(o=-0.15,f=-0.01) USER MOD Single : A 230 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 240 HIS :FLIP no HE2:sc= -0.102 F(o=-2.3,f=-0.1) USER MOD Single : A 245 LYS NZ :NH3+ -149:sc= -0.774 (180deg=-2.7!) USER MOD Single : A 248 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 249 ASN : amide:sc= -0.428 X(o=-0.43,f=-0.79) USER MOD Single : A 251 GLN : amide:sc= -0.0782 X(o=-0.078,f=-0.078) USER MOD Single : A 254 GLN : amide:sc= -0.128 K(o=-0.13,f=-1.2) USER MOD Single : A 255 MET CE :methyl 180:sc=-0.00456 (180deg=-0.00456) USER MOD Single : A 256 SER OG : rot 180:sc= -0.0308 USER MOD Single : A 258 SER OG : rot 3:sc= 0.51 USER MOD Single : A 259 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 260 TYR OH : rot 180:sc= 0 USER MOD Single : A 264 SER OG : rot 180:sc= 0 USER MOD Single : A 268 LYS NZ :NH3+ 151:sc= -0.913! (180deg=-2.75!) USER MOD Single : A 272 THR OG1 : rot 170:sc= -0.0356 USER MOD Single : A 274 SER OG : rot 180:sc= 0 USER MOD Single : A 275 GLN :FLIP amide:sc= -0.0169 F(o=-1.4!,f=-0.017) USER MOD Single : A 276 CYS SG : rot 31:sc= -0.575! USER MOD Single : A 277 SER OG : rot -150:sc= -0.0039 USER MOD Single : A 284 TYR OH : rot 100:sc= 1.3 USER MOD Single : A 285 GLN :FLIP amide:sc= -11.1! C(o=-16!,f=-11!) USER MOD Single : A 286 CYS SG : rot 110:sc= -4.85! USER MOD Single : A 292 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 293 CYS SG : rot 180:sc= -3.96! USER MOD Single : A 294 SER OG : rot -90:sc= -1.24 USER MOD Single : A 300 LYS NZ :NH3+ 160:sc= -0.107 (180deg=-0.468) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 208 6.790 -13.883 -6.698 1.00 3.09 N ATOM 2 CA ASP A 208 7.874 -13.766 -5.688 1.00 2.68 C ATOM 3 C ASP A 208 7.404 -12.955 -4.496 1.00 1.97 C ATOM 4 O ASP A 208 8.074 -12.016 -4.061 1.00 2.14 O ATOM 5 CB ASP A 208 9.094 -13.096 -6.326 1.00 3.41 C ATOM 6 CG ASP A 208 9.691 -13.915 -7.448 1.00 4.18 C ATOM 7 OD1 ASP A 208 10.038 -15.092 -7.210 1.00 4.43 O ATOM 8 OD2 ASP A 208 9.811 -13.395 -8.575 1.00 4.71 O ATOM 0 HA ASP A 208 8.145 -14.763 -5.342 1.00 2.68 H new ATOM 0 HB2 ASP A 208 8.806 -12.117 -6.710 1.00 3.41 H new ATOM 0 HB3 ASP A 208 9.852 -12.928 -5.561 1.00 3.41 H new ATOM 13 N GLU A 209 6.208 -13.265 -4.027 1.00 1.38 N ATOM 14 CA GLU A 209 5.601 -12.547 -2.925 1.00 0.90 C ATOM 15 C GLU A 209 6.255 -12.952 -1.609 1.00 0.92 C ATOM 16 O GLU A 209 6.158 -14.107 -1.185 1.00 1.33 O ATOM 17 CB GLU A 209 4.096 -12.822 -2.887 1.00 1.00 C ATOM 18 CG GLU A 209 3.297 -12.119 -3.986 1.00 0.81 C ATOM 19 CD GLU A 209 3.451 -12.733 -5.373 1.00 1.10 C ATOM 20 OE1 GLU A 209 4.185 -13.734 -5.492 1.00 1.52 O ATOM 21 OE2 GLU A 209 2.857 -12.222 -6.347 1.00 1.51 O ATOM 0 H GLU A 209 5.633 -14.020 -4.400 1.00 1.38 H new ATOM 0 HA GLU A 209 5.755 -11.478 -3.070 1.00 0.90 H new ATOM 0 HB2 GLU A 209 3.933 -13.897 -2.967 1.00 1.00 H new ATOM 0 HB3 GLU A 209 3.707 -12.512 -1.917 1.00 1.00 H new ATOM 0 HG2 GLU A 209 2.242 -12.130 -3.713 1.00 0.81 H new ATOM 0 HG3 GLU A 209 3.605 -11.074 -4.029 1.00 0.81 H new ATOM 28 N LYS A 210 6.977 -12.014 -1.014 1.00 1.02 N ATOM 29 CA LYS A 210 7.750 -12.261 0.190 1.00 1.23 C ATOM 30 C LYS A 210 8.358 -10.946 0.627 1.00 1.22 C ATOM 31 O LYS A 210 8.717 -10.129 -0.222 1.00 1.70 O ATOM 32 CB LYS A 210 8.860 -13.283 -0.092 1.00 1.64 C ATOM 33 CG LYS A 210 9.757 -13.579 1.098 1.00 2.30 C ATOM 34 CD LYS A 210 9.030 -14.379 2.162 1.00 2.91 C ATOM 35 CE LYS A 210 9.925 -14.645 3.359 1.00 3.69 C ATOM 36 NZ LYS A 210 9.302 -15.588 4.322 1.00 4.13 N ATOM 0 H LYS A 210 7.042 -11.055 -1.356 1.00 1.02 H new ATOM 0 HA LYS A 210 7.109 -12.665 0.974 1.00 1.23 H new ATOM 0 HB2 LYS A 210 8.403 -14.214 -0.428 1.00 1.64 H new ATOM 0 HB3 LYS A 210 9.476 -12.916 -0.913 1.00 1.64 H new ATOM 0 HG2 LYS A 210 10.635 -14.131 0.764 1.00 2.30 H new ATOM 0 HG3 LYS A 210 10.114 -12.643 1.527 1.00 2.30 H new ATOM 0 HD2 LYS A 210 8.141 -13.837 2.483 1.00 2.91 H new ATOM 0 HD3 LYS A 210 8.692 -15.326 1.741 1.00 2.91 H new ATOM 0 HE2 LYS A 210 10.876 -15.052 3.017 1.00 3.69 H new ATOM 0 HE3 LYS A 210 10.144 -13.704 3.864 1.00 3.69 H new ATOM 0 HZ1 LYS A 210 9.946 -15.742 5.124 1.00 4.13 H new ATOM 0 HZ2 LYS A 210 8.407 -15.189 4.669 1.00 4.13 H new ATOM 0 HZ3 LYS A 210 9.116 -16.495 3.849 1.00 4.13 H new ATOM 50 N LYS A 211 8.386 -10.676 1.924 1.00 0.88 N ATOM 51 CA LYS A 211 8.885 -9.394 2.367 1.00 0.88 C ATOM 52 C LYS A 211 10.359 -9.235 2.023 1.00 0.95 C ATOM 53 O LYS A 211 11.193 -10.085 2.336 1.00 1.30 O ATOM 54 CB LYS A 211 8.675 -9.150 3.856 1.00 1.13 C ATOM 55 CG LYS A 211 9.140 -7.760 4.243 1.00 1.10 C ATOM 56 CD LYS A 211 8.688 -7.346 5.627 1.00 0.94 C ATOM 57 CE LYS A 211 9.265 -5.989 6.000 1.00 0.58 C ATOM 58 NZ LYS A 211 10.734 -6.054 6.219 1.00 1.33 N ATOM 0 H LYS A 211 8.079 -11.308 2.663 1.00 0.88 H new ATOM 0 HA LYS A 211 8.301 -8.645 1.832 1.00 0.88 H new ATOM 0 HB2 LYS A 211 7.620 -9.268 4.103 1.00 1.13 H new ATOM 0 HB3 LYS A 211 9.223 -9.896 4.432 1.00 1.13 H new ATOM 0 HG2 LYS A 211 10.228 -7.721 4.196 1.00 1.10 H new ATOM 0 HG3 LYS A 211 8.764 -7.042 3.515 1.00 1.10 H new ATOM 0 HD2 LYS A 211 7.599 -7.305 5.662 1.00 0.94 H new ATOM 0 HD3 LYS A 211 9.003 -8.093 6.356 1.00 0.94 H new ATOM 0 HE2 LYS A 211 9.047 -5.272 5.209 1.00 0.58 H new ATOM 0 HE3 LYS A 211 8.779 -5.624 6.904 1.00 0.58 H new ATOM 0 HZ1 LYS A 211 11.020 -5.304 6.880 1.00 1.33 H new ATOM 0 HZ2 LYS A 211 10.985 -6.981 6.618 1.00 1.33 H new ATOM 0 HZ3 LYS A 211 11.226 -5.923 5.312 1.00 1.33 H new ATOM 72 N SER A 212 10.648 -8.121 1.391 1.00 1.04 N ATOM 73 CA SER A 212 11.986 -7.758 0.985 1.00 1.39 C ATOM 74 C SER A 212 11.934 -6.300 0.596 1.00 1.11 C ATOM 75 O SER A 212 11.942 -5.433 1.471 1.00 1.73 O ATOM 76 CB SER A 212 12.432 -8.599 -0.207 1.00 1.91 C ATOM 77 OG SER A 212 13.812 -8.420 -0.479 1.00 2.46 O ATOM 0 H SER A 212 9.944 -7.427 1.139 1.00 1.04 H new ATOM 0 HA SER A 212 12.698 -7.932 1.792 1.00 1.39 H new ATOM 0 HB2 SER A 212 12.233 -9.652 -0.006 1.00 1.91 H new ATOM 0 HB3 SER A 212 11.848 -8.326 -1.086 1.00 1.91 H new ATOM 0 HG SER A 212 13.936 -8.233 -1.433 1.00 2.46 H new ATOM 83 N THR A 213 11.526 -6.080 -0.657 1.00 0.75 N ATOM 84 CA THR A 213 11.111 -4.766 -1.130 1.00 0.42 C ATOM 85 C THR A 213 12.094 -3.682 -0.692 1.00 0.62 C ATOM 86 O THR A 213 13.264 -3.957 -0.427 1.00 1.59 O ATOM 87 CB THR A 213 9.677 -4.473 -0.608 1.00 0.48 C ATOM 88 OG1 THR A 213 9.690 -4.310 0.816 1.00 1.20 O ATOM 89 CG2 THR A 213 8.751 -5.619 -0.957 1.00 0.93 C ATOM 0 H THR A 213 11.476 -6.810 -1.368 1.00 0.75 H new ATOM 0 HA THR A 213 11.105 -4.762 -2.220 1.00 0.42 H new ATOM 0 HB THR A 213 9.324 -3.556 -1.079 1.00 0.48 H new ATOM 0 HG1 THR A 213 10.605 -4.417 1.149 1.00 1.20 H new ATOM 0 HG21 THR A 213 7.749 -5.403 -0.586 1.00 0.93 H new ATOM 0 HG22 THR A 213 8.719 -5.744 -2.039 1.00 0.93 H new ATOM 0 HG23 THR A 213 9.118 -6.536 -0.497 1.00 0.93 H new ATOM 97 N ALA A 214 11.593 -2.490 -0.499 1.00 0.50 N ATOM 98 CA ALA A 214 12.377 -1.435 0.091 1.00 0.39 C ATOM 99 C ALA A 214 11.629 -0.882 1.282 1.00 0.25 C ATOM 100 O ALA A 214 11.873 0.236 1.727 1.00 0.27 O ATOM 101 CB ALA A 214 12.645 -0.351 -0.917 1.00 0.48 C ATOM 0 H ALA A 214 10.639 -2.224 -0.743 1.00 0.50 H new ATOM 0 HA ALA A 214 13.339 -1.831 0.417 1.00 0.39 H new ATOM 0 HB1 ALA A 214 13.238 0.438 -0.454 1.00 0.48 H new ATOM 0 HB2 ALA A 214 13.192 -0.768 -1.763 1.00 0.48 H new ATOM 0 HB3 ALA A 214 11.699 0.064 -1.266 1.00 0.48 H new ATOM 107 N PHE A 215 10.711 -1.688 1.790 1.00 0.25 N ATOM 108 CA PHE A 215 9.940 -1.338 2.955 1.00 0.18 C ATOM 109 C PHE A 215 10.556 -2.020 4.152 1.00 0.21 C ATOM 110 O PHE A 215 10.443 -3.236 4.319 1.00 0.28 O ATOM 111 CB PHE A 215 8.466 -1.756 2.788 1.00 0.20 C ATOM 112 CG PHE A 215 7.850 -1.285 1.490 1.00 0.23 C ATOM 113 CD1 PHE A 215 8.239 -1.833 0.279 1.00 0.41 C ATOM 114 CD2 PHE A 215 6.893 -0.284 1.481 1.00 0.26 C ATOM 115 CE1 PHE A 215 7.692 -1.390 -0.908 1.00 0.46 C ATOM 116 CE2 PHE A 215 6.347 0.166 0.294 1.00 0.31 C ATOM 117 CZ PHE A 215 6.746 -0.387 -0.902 1.00 0.35 C ATOM 0 H PHE A 215 10.485 -2.603 1.400 1.00 0.25 H new ATOM 0 HA PHE A 215 9.954 -0.257 3.094 1.00 0.18 H new ATOM 0 HB2 PHE A 215 8.396 -2.842 2.841 1.00 0.20 H new ATOM 0 HB3 PHE A 215 7.887 -1.358 3.621 1.00 0.20 H new ATOM 0 HD1 PHE A 215 8.981 -2.618 0.263 1.00 0.41 H new ATOM 0 HD2 PHE A 215 6.569 0.151 2.415 1.00 0.26 H new ATOM 0 HE1 PHE A 215 8.005 -1.830 -1.843 1.00 0.46 H new ATOM 0 HE2 PHE A 215 5.607 0.952 0.305 1.00 0.31 H new ATOM 0 HZ PHE A 215 6.320 -0.037 -1.831 1.00 0.35 H new ATOM 127 N GLN A 216 11.207 -1.211 4.965 1.00 0.18 N ATOM 128 CA GLN A 216 11.837 -1.653 6.191 1.00 0.21 C ATOM 129 C GLN A 216 10.853 -2.480 6.992 1.00 0.24 C ATOM 130 O GLN A 216 11.086 -3.649 7.288 1.00 0.31 O ATOM 131 CB GLN A 216 12.228 -0.416 6.979 1.00 0.20 C ATOM 132 CG GLN A 216 13.608 -0.492 7.610 1.00 0.25 C ATOM 133 CD GLN A 216 14.005 0.784 8.329 1.00 0.30 C ATOM 134 OE1 GLN A 216 13.180 1.812 8.223 1.00 0.92 O flip ATOM 135 NE2 GLN A 216 15.056 0.848 8.962 1.00 0.79 N flip ATOM 0 H GLN A 216 11.314 -0.212 4.788 1.00 0.18 H new ATOM 0 HA GLN A 216 12.715 -2.262 5.978 1.00 0.21 H new ATOM 0 HB2 GLN A 216 12.190 0.450 6.318 1.00 0.20 H new ATOM 0 HB3 GLN A 216 11.490 -0.250 7.764 1.00 0.20 H new ATOM 0 HG2 GLN A 216 13.633 -1.322 8.316 1.00 0.25 H new ATOM 0 HG3 GLN A 216 14.344 -0.709 6.836 1.00 0.25 H new ATOM 0 HE21 GLN A 216 15.666 0.033 9.021 1.00 0.79 H new ATOM 0 HE22 GLN A 216 15.318 1.716 9.429 1.00 0.79 H new ATOM 144 N LYS A 217 9.686 -1.900 7.178 1.00 0.20 N ATOM 145 CA LYS A 217 8.565 -2.606 7.744 1.00 0.22 C ATOM 146 C LYS A 217 7.300 -2.278 6.959 1.00 0.17 C ATOM 147 O LYS A 217 6.857 -1.135 6.966 1.00 0.17 O ATOM 148 CB LYS A 217 8.403 -2.195 9.209 1.00 0.28 C ATOM 149 CG LYS A 217 7.165 -2.756 9.873 1.00 0.36 C ATOM 150 CD LYS A 217 6.941 -2.117 11.231 1.00 0.59 C ATOM 151 CE LYS A 217 5.638 -2.581 11.860 1.00 1.26 C ATOM 152 NZ LYS A 217 5.331 -1.836 13.111 1.00 1.85 N ATOM 0 H LYS A 217 9.492 -0.927 6.940 1.00 0.20 H new ATOM 0 HA LYS A 217 8.739 -3.681 7.689 1.00 0.22 H new ATOM 0 HB2 LYS A 217 9.281 -2.521 9.766 1.00 0.28 H new ATOM 0 HB3 LYS A 217 8.374 -1.107 9.269 1.00 0.28 H new ATOM 0 HG2 LYS A 217 6.297 -2.583 9.238 1.00 0.36 H new ATOM 0 HG3 LYS A 217 7.266 -3.835 9.987 1.00 0.36 H new ATOM 0 HD2 LYS A 217 7.772 -2.364 11.891 1.00 0.59 H new ATOM 0 HD3 LYS A 217 6.929 -1.032 11.126 1.00 0.59 H new ATOM 0 HE2 LYS A 217 4.823 -2.447 11.148 1.00 1.26 H new ATOM 0 HE3 LYS A 217 5.699 -3.647 12.078 1.00 1.26 H new ATOM 0 HZ1 LYS A 217 4.435 -2.181 13.510 1.00 1.85 H new ATOM 0 HZ2 LYS A 217 6.096 -1.984 13.800 1.00 1.85 H new ATOM 0 HZ3 LYS A 217 5.247 -0.821 12.899 1.00 1.85 H new ATOM 166 N LYS A 218 6.615 -3.291 6.459 1.00 0.19 N ATOM 167 CA LYS A 218 5.278 -3.077 5.928 1.00 0.20 C ATOM 168 C LYS A 218 4.272 -3.251 7.061 1.00 0.18 C ATOM 169 O LYS A 218 4.488 -4.059 7.964 1.00 0.20 O ATOM 170 CB LYS A 218 4.930 -4.027 4.763 1.00 0.31 C ATOM 171 CG LYS A 218 3.517 -3.791 4.230 1.00 0.39 C ATOM 172 CD LYS A 218 3.093 -4.814 3.194 1.00 0.96 C ATOM 173 CE LYS A 218 3.073 -6.227 3.752 1.00 1.56 C ATOM 174 NZ LYS A 218 2.437 -6.324 5.088 1.00 2.42 N ATOM 0 H LYS A 218 6.952 -4.252 6.409 1.00 0.19 H new ATOM 0 HA LYS A 218 5.239 -2.066 5.521 1.00 0.20 H new ATOM 0 HB2 LYS A 218 5.649 -3.888 3.956 1.00 0.31 H new ATOM 0 HB3 LYS A 218 5.022 -5.060 5.098 1.00 0.31 H new ATOM 0 HG2 LYS A 218 2.813 -3.812 5.062 1.00 0.39 H new ATOM 0 HG3 LYS A 218 3.462 -2.795 3.792 1.00 0.39 H new ATOM 0 HD2 LYS A 218 2.101 -4.559 2.820 1.00 0.96 H new ATOM 0 HD3 LYS A 218 3.774 -4.771 2.344 1.00 0.96 H new ATOM 0 HE2 LYS A 218 2.541 -6.877 3.057 1.00 1.56 H new ATOM 0 HE3 LYS A 218 4.096 -6.599 3.817 1.00 1.56 H new ATOM 0 HZ1 LYS A 218 2.561 -7.286 5.462 1.00 2.42 H new ATOM 0 HZ2 LYS A 218 2.881 -5.641 5.734 1.00 2.42 H new ATOM 0 HZ3 LYS A 218 1.422 -6.113 5.005 1.00 2.42 H new ATOM 188 N LEU A 219 3.178 -2.505 7.005 1.00 0.16 N ATOM 189 CA LEU A 219 2.116 -2.609 7.999 1.00 0.16 C ATOM 190 C LEU A 219 1.536 -4.028 8.012 1.00 0.16 C ATOM 191 O LEU A 219 1.827 -4.824 7.121 1.00 0.17 O ATOM 192 CB LEU A 219 1.014 -1.596 7.703 1.00 0.20 C ATOM 193 CG LEU A 219 0.047 -1.305 8.851 1.00 0.66 C ATOM 194 CD1 LEU A 219 0.761 -0.588 9.986 1.00 1.20 C ATOM 195 CD2 LEU A 219 -1.135 -0.484 8.354 1.00 1.62 C ATOM 0 H LEU A 219 3.001 -1.815 6.275 1.00 0.16 H new ATOM 0 HA LEU A 219 2.538 -2.393 8.981 1.00 0.16 H new ATOM 0 HB2 LEU A 219 1.481 -0.659 7.401 1.00 0.20 H new ATOM 0 HB3 LEU A 219 0.437 -1.954 6.850 1.00 0.20 H new ATOM 0 HG LEU A 219 -0.330 -2.254 9.234 1.00 0.66 H new ATOM 0 HD11 LEU A 219 0.055 -0.390 10.793 1.00 1.20 H new ATOM 0 HD12 LEU A 219 1.572 -1.214 10.359 1.00 1.20 H new ATOM 0 HD13 LEU A 219 1.169 0.355 9.621 1.00 1.20 H new ATOM 0 HD21 LEU A 219 -1.814 -0.285 9.183 1.00 1.62 H new ATOM 0 HD22 LEU A 219 -0.776 0.460 7.945 1.00 1.62 H new ATOM 0 HD23 LEU A 219 -1.662 -1.038 7.578 1.00 1.62 H new ATOM 207 N GLU A 220 0.751 -4.338 9.039 1.00 0.17 N ATOM 208 CA GLU A 220 0.150 -5.666 9.213 1.00 0.20 C ATOM 209 C GLU A 220 -0.460 -6.192 7.908 1.00 0.19 C ATOM 210 O GLU A 220 -0.979 -5.422 7.102 1.00 0.19 O ATOM 211 CB GLU A 220 -0.942 -5.572 10.279 1.00 0.23 C ATOM 212 CG GLU A 220 -1.992 -4.519 9.958 1.00 0.24 C ATOM 213 CD GLU A 220 -2.971 -4.297 11.093 1.00 0.75 C ATOM 214 OE1 GLU A 220 -2.531 -3.951 12.206 1.00 1.43 O ATOM 215 OE2 GLU A 220 -4.188 -4.476 10.880 1.00 1.12 O ATOM 0 H GLU A 220 0.510 -3.678 9.778 1.00 0.17 H new ATOM 0 HA GLU A 220 0.933 -6.361 9.517 1.00 0.20 H new ATOM 0 HB2 GLU A 220 -1.427 -6.543 10.382 1.00 0.23 H new ATOM 0 HB3 GLU A 220 -0.485 -5.341 11.241 1.00 0.23 H new ATOM 0 HG2 GLU A 220 -1.495 -3.577 9.724 1.00 0.24 H new ATOM 0 HG3 GLU A 220 -2.540 -4.820 9.066 1.00 0.24 H new ATOM 222 N PRO A 221 -0.377 -7.515 7.665 1.00 0.22 N ATOM 223 CA PRO A 221 -0.880 -8.140 6.427 1.00 0.23 C ATOM 224 C PRO A 221 -2.405 -8.127 6.307 1.00 0.20 C ATOM 225 O PRO A 221 -2.973 -8.923 5.566 1.00 0.19 O ATOM 226 CB PRO A 221 -0.373 -9.577 6.519 1.00 0.29 C ATOM 227 CG PRO A 221 -0.191 -9.818 7.977 1.00 0.57 C ATOM 228 CD PRO A 221 0.254 -8.505 8.557 1.00 0.26 C ATOM 0 HA PRO A 221 -0.534 -7.595 5.549 1.00 0.23 H new ATOM 0 HB2 PRO A 221 -1.088 -10.278 6.087 1.00 0.29 H new ATOM 0 HB3 PRO A 221 0.564 -9.702 5.976 1.00 0.29 H new ATOM 0 HG2 PRO A 221 -1.121 -10.154 8.437 1.00 0.57 H new ATOM 0 HG3 PRO A 221 0.552 -10.596 8.155 1.00 0.57 H new ATOM 0 HD2 PRO A 221 -0.077 -8.387 9.589 1.00 0.26 H new ATOM 0 HD3 PRO A 221 1.340 -8.412 8.558 1.00 0.26 H new ATOM 236 N ALA A 222 -3.033 -7.122 6.891 1.00 0.20 N ATOM 237 CA ALA A 222 -4.460 -6.909 6.737 1.00 0.19 C ATOM 238 C ALA A 222 -4.780 -5.432 6.836 1.00 0.15 C ATOM 239 O ALA A 222 -5.193 -4.938 7.886 1.00 0.17 O ATOM 240 CB ALA A 222 -5.254 -7.685 7.771 1.00 0.24 C ATOM 0 H ALA A 222 -2.570 -6.433 7.483 1.00 0.20 H new ATOM 0 HA ALA A 222 -4.747 -7.275 5.751 1.00 0.19 H new ATOM 0 HB1 ALA A 222 -6.318 -7.501 7.625 1.00 0.24 H new ATOM 0 HB2 ALA A 222 -5.051 -8.750 7.661 1.00 0.24 H new ATOM 0 HB3 ALA A 222 -4.964 -7.362 8.771 1.00 0.24 H new ATOM 246 N TYR A 223 -4.650 -4.744 5.717 1.00 0.12 N ATOM 247 CA TYR A 223 -5.032 -3.347 5.653 1.00 0.11 C ATOM 248 C TYR A 223 -6.544 -3.275 5.514 1.00 0.13 C ATOM 249 O TYR A 223 -7.133 -4.019 4.729 1.00 0.17 O ATOM 250 CB TYR A 223 -4.368 -2.634 4.467 1.00 0.12 C ATOM 251 CG TYR A 223 -2.865 -2.423 4.575 1.00 0.12 C ATOM 252 CD1 TYR A 223 -2.066 -3.392 5.166 1.00 0.16 C ATOM 253 CD2 TYR A 223 -2.250 -1.253 4.143 1.00 0.18 C ATOM 254 CE1 TYR A 223 -0.707 -3.209 5.314 1.00 0.18 C ATOM 255 CE2 TYR A 223 -0.884 -1.062 4.297 1.00 0.20 C ATOM 256 CZ TYR A 223 -0.111 -2.028 4.660 1.00 0.16 C ATOM 257 OH TYR A 223 1.228 -1.870 5.045 1.00 0.21 O ATOM 0 H TYR A 223 -4.285 -5.127 4.845 1.00 0.12 H new ATOM 0 HA TYR A 223 -4.701 -2.846 6.563 1.00 0.11 H new ATOM 0 HB2 TYR A 223 -4.571 -3.208 3.563 1.00 0.12 H new ATOM 0 HB3 TYR A 223 -4.844 -1.662 4.340 1.00 0.12 H new ATOM 0 HD1 TYR A 223 -2.518 -4.308 5.517 1.00 0.16 H new ATOM 0 HD2 TYR A 223 -2.845 -0.480 3.680 1.00 0.18 H new ATOM 0 HE1 TYR A 223 -0.105 -3.901 5.884 1.00 0.18 H new ATOM 0 HE2 TYR A 223 -0.461 -0.086 4.109 1.00 0.20 H new ATOM 0 HH TYR A 223 1.420 -0.918 5.178 1.00 0.21 H new ATOM 267 N GLN A 224 -7.183 -2.523 6.388 1.00 0.15 N ATOM 268 CA GLN A 224 -8.635 -2.505 6.427 1.00 0.18 C ATOM 269 C GLN A 224 -9.177 -1.139 6.023 1.00 0.17 C ATOM 270 O GLN A 224 -9.140 -0.191 6.807 1.00 0.22 O ATOM 271 CB GLN A 224 -9.116 -2.892 7.825 1.00 0.26 C ATOM 272 CG GLN A 224 -8.568 -4.237 8.283 1.00 0.34 C ATOM 273 CD GLN A 224 -8.918 -4.582 9.716 1.00 0.61 C ATOM 274 OE1 GLN A 224 -9.751 -3.770 10.346 1.00 1.42 O flip ATOM 275 NE2 GLN A 224 -8.442 -5.581 10.254 1.00 0.99 N flip ATOM 0 H GLN A 224 -6.727 -1.922 7.075 1.00 0.15 H new ATOM 0 HA GLN A 224 -9.015 -3.232 5.709 1.00 0.18 H new ATOM 0 HB2 GLN A 224 -8.816 -2.121 8.535 1.00 0.26 H new ATOM 0 HB3 GLN A 224 -10.205 -2.926 7.834 1.00 0.26 H new ATOM 0 HG2 GLN A 224 -8.952 -5.018 7.627 1.00 0.34 H new ATOM 0 HG3 GLN A 224 -7.483 -4.233 8.174 1.00 0.34 H new ATOM 0 HE21 GLN A 224 -7.803 -6.184 9.736 1.00 0.99 H new ATOM 0 HE22 GLN A 224 -8.687 -5.807 11.218 1.00 0.99 H new ATOM 284 N VAL A 225 -9.660 -1.042 4.787 1.00 0.16 N ATOM 285 CA VAL A 225 -10.206 0.203 4.270 1.00 0.18 C ATOM 286 C VAL A 225 -11.477 0.567 4.996 1.00 0.24 C ATOM 287 O VAL A 225 -12.429 -0.198 4.973 1.00 0.30 O ATOM 288 CB VAL A 225 -10.580 0.116 2.773 1.00 0.28 C ATOM 289 CG1 VAL A 225 -10.805 1.508 2.192 1.00 0.77 C ATOM 290 CG2 VAL A 225 -9.542 -0.647 1.976 1.00 0.77 C ATOM 0 H VAL A 225 -9.683 -1.817 4.124 1.00 0.16 H new ATOM 0 HA VAL A 225 -9.421 0.945 4.416 1.00 0.18 H new ATOM 0 HB VAL A 225 -11.514 -0.441 2.699 1.00 0.28 H new ATOM 0 HG11 VAL A 225 -11.067 1.424 1.137 1.00 0.77 H new ATOM 0 HG12 VAL A 225 -11.616 2.000 2.729 1.00 0.77 H new ATOM 0 HG13 VAL A 225 -9.893 2.096 2.293 1.00 0.77 H new ATOM 0 HG21 VAL A 225 -9.843 -0.685 0.929 1.00 0.77 H new ATOM 0 HG22 VAL A 225 -8.578 -0.145 2.059 1.00 0.77 H new ATOM 0 HG23 VAL A 225 -9.457 -1.661 2.366 1.00 0.77 H new ATOM 300 N SER A 226 -11.602 1.824 5.334 1.00 0.26 N ATOM 301 CA SER A 226 -12.905 2.343 5.658 1.00 0.33 C ATOM 302 C SER A 226 -13.498 2.878 4.364 1.00 0.32 C ATOM 303 O SER A 226 -12.934 3.804 3.781 1.00 0.32 O ATOM 304 CB SER A 226 -12.800 3.436 6.711 1.00 0.42 C ATOM 305 OG SER A 226 -12.161 2.950 7.881 1.00 1.20 O ATOM 0 H SER A 226 -10.836 2.495 5.392 1.00 0.26 H new ATOM 0 HA SER A 226 -13.544 1.566 6.078 1.00 0.33 H new ATOM 0 HB2 SER A 226 -12.240 4.281 6.310 1.00 0.42 H new ATOM 0 HB3 SER A 226 -13.795 3.803 6.961 1.00 0.42 H new ATOM 0 HG SER A 226 -12.102 3.669 8.544 1.00 1.20 H new ATOM 311 N LYS A 227 -14.365 2.072 3.758 1.00 0.34 N ATOM 312 CA LYS A 227 -14.799 2.308 2.377 1.00 0.37 C ATOM 313 C LYS A 227 -15.080 3.771 2.093 1.00 0.42 C ATOM 314 O LYS A 227 -15.903 4.412 2.746 1.00 0.48 O ATOM 315 CB LYS A 227 -16.026 1.458 1.992 1.00 0.44 C ATOM 316 CG LYS A 227 -16.982 2.159 1.024 1.00 0.95 C ATOM 317 CD LYS A 227 -18.251 1.357 0.755 1.00 0.93 C ATOM 318 CE LYS A 227 -19.264 1.475 1.887 1.00 0.96 C ATOM 319 NZ LYS A 227 -19.708 2.877 2.108 1.00 1.54 N ATOM 0 H LYS A 227 -14.782 1.251 4.197 1.00 0.34 H new ATOM 0 HA LYS A 227 -13.957 1.998 1.757 1.00 0.37 H new ATOM 0 HB2 LYS A 227 -15.684 0.527 1.540 1.00 0.44 H new ATOM 0 HB3 LYS A 227 -16.571 1.192 2.898 1.00 0.44 H new ATOM 0 HG2 LYS A 227 -17.254 3.133 1.432 1.00 0.95 H new ATOM 0 HG3 LYS A 227 -16.467 2.341 0.081 1.00 0.95 H new ATOM 0 HD2 LYS A 227 -18.706 1.703 -0.173 1.00 0.93 H new ATOM 0 HD3 LYS A 227 -17.991 0.308 0.612 1.00 0.93 H new ATOM 0 HE2 LYS A 227 -20.131 0.854 1.661 1.00 0.96 H new ATOM 0 HE3 LYS A 227 -18.824 1.087 2.806 1.00 0.96 H new ATOM 0 HZ1 LYS A 227 -20.619 2.878 2.610 1.00 1.54 H new ATOM 0 HZ2 LYS A 227 -18.998 3.380 2.678 1.00 1.54 H new ATOM 0 HZ3 LYS A 227 -19.817 3.355 1.191 1.00 1.54 H new ATOM 333 N GLY A 228 -14.405 4.260 1.068 1.00 0.46 N ATOM 334 CA GLY A 228 -14.607 5.623 0.613 1.00 0.57 C ATOM 335 C GLY A 228 -14.033 6.656 1.557 1.00 0.57 C ATOM 336 O GLY A 228 -14.118 7.856 1.302 1.00 0.70 O ATOM 0 H GLY A 228 -13.713 3.733 0.535 1.00 0.46 H new ATOM 0 HA2 GLY A 228 -14.149 5.743 -0.369 1.00 0.57 H new ATOM 0 HA3 GLY A 228 -15.675 5.804 0.492 1.00 0.57 H new ATOM 340 N HIS A 229 -13.348 6.189 2.587 1.00 0.47 N ATOM 341 CA HIS A 229 -12.671 7.086 3.521 1.00 0.53 C ATOM 342 C HIS A 229 -11.221 7.221 3.098 1.00 0.54 C ATOM 343 O HIS A 229 -10.442 7.951 3.710 1.00 1.02 O ATOM 344 CB HIS A 229 -12.759 6.563 4.962 1.00 0.55 C ATOM 345 CG HIS A 229 -12.445 7.598 6.011 1.00 1.32 C ATOM 346 ND1 HIS A 229 -12.317 7.308 7.354 1.00 1.94 N ATOM 347 CD2 HIS A 229 -12.239 8.935 5.904 1.00 2.31 C ATOM 348 CE1 HIS A 229 -12.048 8.415 8.019 1.00 2.66 C ATOM 349 NE2 HIS A 229 -11.995 9.415 7.165 1.00 2.89 N ATOM 0 H HIS A 229 -13.243 5.197 2.801 1.00 0.47 H new ATOM 0 HA HIS A 229 -13.161 8.059 3.498 1.00 0.53 H new ATOM 0 HB2 HIS A 229 -13.763 6.177 5.137 1.00 0.55 H new ATOM 0 HB3 HIS A 229 -12.071 5.725 5.076 1.00 0.55 H new ATOM 0 HD2 HIS A 229 -12.263 9.515 4.993 1.00 2.31 H new ATOM 0 HE1 HIS A 229 -11.897 8.488 9.086 1.00 2.66 H new ATOM 0 HE2 HIS A 229 -11.804 10.388 7.402 1.00 2.89 H new ATOM 358 N LYS A 230 -10.880 6.461 2.058 1.00 0.30 N ATOM 359 CA LYS A 230 -9.524 6.400 1.521 1.00 0.28 C ATOM 360 C LYS A 230 -8.610 5.662 2.489 1.00 0.24 C ATOM 361 O LYS A 230 -8.407 6.100 3.626 1.00 0.28 O ATOM 362 CB LYS A 230 -8.949 7.798 1.225 1.00 0.36 C ATOM 363 CG LYS A 230 -9.632 8.538 0.082 1.00 1.00 C ATOM 364 CD LYS A 230 -10.899 9.262 0.514 1.00 1.23 C ATOM 365 CE LYS A 230 -10.594 10.464 1.395 1.00 1.65 C ATOM 366 NZ LYS A 230 -11.821 11.237 1.730 1.00 2.24 N ATOM 0 H LYS A 230 -11.543 5.866 1.562 1.00 0.30 H new ATOM 0 HA LYS A 230 -9.576 5.859 0.576 1.00 0.28 H new ATOM 0 HB2 LYS A 230 -9.022 8.405 2.128 1.00 0.36 H new ATOM 0 HB3 LYS A 230 -7.889 7.698 0.993 1.00 0.36 H new ATOM 0 HG2 LYS A 230 -8.935 9.260 -0.344 1.00 1.00 H new ATOM 0 HG3 LYS A 230 -9.877 7.828 -0.708 1.00 1.00 H new ATOM 0 HD2 LYS A 230 -11.449 9.589 -0.368 1.00 1.23 H new ATOM 0 HD3 LYS A 230 -11.546 8.571 1.054 1.00 1.23 H new ATOM 0 HE2 LYS A 230 -10.116 10.127 2.315 1.00 1.65 H new ATOM 0 HE3 LYS A 230 -9.883 11.115 0.886 1.00 1.65 H new ATOM 0 HZ1 LYS A 230 -11.568 12.047 2.331 1.00 2.24 H new ATOM 0 HZ2 LYS A 230 -12.264 11.581 0.854 1.00 2.24 H new ATOM 0 HZ3 LYS A 230 -12.490 10.624 2.239 1.00 2.24 H new ATOM 380 N ILE A 231 -8.094 4.518 2.071 1.00 0.20 N ATOM 381 CA ILE A 231 -7.224 3.750 2.951 1.00 0.17 C ATOM 382 C ILE A 231 -5.759 4.059 2.657 1.00 0.16 C ATOM 383 O ILE A 231 -5.348 4.141 1.502 1.00 0.17 O ATOM 384 CB ILE A 231 -7.476 2.225 2.869 1.00 0.16 C ATOM 385 CG1 ILE A 231 -6.543 1.494 3.845 1.00 0.17 C ATOM 386 CG2 ILE A 231 -7.239 1.721 1.460 1.00 0.18 C ATOM 387 CD1 ILE A 231 -6.729 -0.001 3.883 1.00 0.19 C ATOM 0 H ILE A 231 -8.256 4.107 1.152 1.00 0.20 H new ATOM 0 HA ILE A 231 -7.464 4.056 3.969 1.00 0.17 H new ATOM 0 HB ILE A 231 -8.513 2.027 3.139 1.00 0.16 H new ATOM 0 HG12 ILE A 231 -5.510 1.713 3.574 1.00 0.17 H new ATOM 0 HG13 ILE A 231 -6.701 1.893 4.847 1.00 0.17 H new ATOM 0 HG21 ILE A 231 -7.421 0.647 1.422 1.00 0.18 H new ATOM 0 HG22 ILE A 231 -7.917 2.228 0.773 1.00 0.18 H new ATOM 0 HG23 ILE A 231 -6.208 1.925 1.169 1.00 0.18 H new ATOM 0 HD11 ILE A 231 -6.031 -0.436 4.598 1.00 0.19 H new ATOM 0 HD12 ILE A 231 -7.750 -0.233 4.186 1.00 0.19 H new ATOM 0 HD13 ILE A 231 -6.541 -0.416 2.893 1.00 0.19 H new ATOM 399 N ARG A 232 -4.997 4.296 3.708 1.00 0.17 N ATOM 400 CA ARG A 232 -3.589 4.626 3.577 1.00 0.17 C ATOM 401 C ARG A 232 -2.730 3.390 3.809 1.00 0.15 C ATOM 402 O ARG A 232 -2.915 2.689 4.807 1.00 0.19 O ATOM 403 CB ARG A 232 -3.227 5.717 4.581 1.00 0.22 C ATOM 404 CG ARG A 232 -3.613 7.113 4.127 1.00 0.34 C ATOM 405 CD ARG A 232 -3.061 8.174 5.066 1.00 0.77 C ATOM 406 NE ARG A 232 -3.033 9.497 4.447 1.00 1.44 N ATOM 407 CZ ARG A 232 -4.115 10.209 4.139 1.00 2.13 C ATOM 408 NH1 ARG A 232 -5.313 9.834 4.574 1.00 2.48 N ATOM 409 NH2 ARG A 232 -3.981 11.327 3.435 1.00 3.14 N ATOM 0 H ARG A 232 -5.333 4.266 4.671 1.00 0.17 H new ATOM 0 HA ARG A 232 -3.400 4.989 2.567 1.00 0.17 H new ATOM 0 HB2 ARG A 232 -3.719 5.504 5.530 1.00 0.22 H new ATOM 0 HB3 ARG A 232 -2.153 5.688 4.765 1.00 0.22 H new ATOM 0 HG2 ARG A 232 -3.237 7.286 3.119 1.00 0.34 H new ATOM 0 HG3 ARG A 232 -4.699 7.195 4.081 1.00 0.34 H new ATOM 0 HD2 ARG A 232 -3.670 8.210 5.969 1.00 0.77 H new ATOM 0 HD3 ARG A 232 -2.052 7.897 5.373 1.00 0.77 H new ATOM 0 HE ARG A 232 -2.121 9.903 4.236 1.00 1.44 H new ATOM 0 HH11 ARG A 232 -5.408 8.996 5.148 1.00 2.48 H new ATOM 0 HH12 ARG A 232 -6.138 10.384 4.334 1.00 2.48 H new ATOM 0 HH21 ARG A 232 -3.055 11.633 3.135 1.00 3.14 H new ATOM 0 HH22 ARG A 232 -4.804 11.880 3.194 1.00 3.14 H new ATOM 423 N LEU A 233 -1.779 3.118 2.912 1.00 0.13 N ATOM 424 CA LEU A 233 -0.916 1.974 3.087 1.00 0.14 C ATOM 425 C LEU A 233 0.380 2.439 3.711 1.00 0.13 C ATOM 426 O LEU A 233 1.258 2.943 3.018 1.00 0.13 O ATOM 427 CB LEU A 233 -0.668 1.278 1.739 1.00 0.15 C ATOM 428 CG LEU A 233 -1.793 0.340 1.254 1.00 0.17 C ATOM 429 CD1 LEU A 233 -3.104 1.090 1.061 1.00 0.18 C ATOM 430 CD2 LEU A 233 -1.398 -0.347 -0.043 1.00 0.23 C ATOM 0 H LEU A 233 -1.598 3.671 2.074 1.00 0.13 H new ATOM 0 HA LEU A 233 -1.389 1.246 3.746 1.00 0.14 H new ATOM 0 HB2 LEU A 233 -0.506 2.043 0.980 1.00 0.15 H new ATOM 0 HB3 LEU A 233 0.254 0.702 1.813 1.00 0.15 H new ATOM 0 HG LEU A 233 -1.942 -0.413 2.027 1.00 0.17 H new ATOM 0 HD11 LEU A 233 -3.873 0.397 0.719 1.00 0.18 H new ATOM 0 HD12 LEU A 233 -3.411 1.535 2.007 1.00 0.18 H new ATOM 0 HD13 LEU A 233 -2.968 1.876 0.318 1.00 0.18 H new ATOM 0 HD21 LEU A 233 -2.205 -1.004 -0.367 1.00 0.23 H new ATOM 0 HD22 LEU A 233 -1.211 0.404 -0.810 1.00 0.23 H new ATOM 0 HD23 LEU A 233 -0.494 -0.935 0.117 1.00 0.23 H new ATOM 442 N THR A 234 0.425 2.401 5.031 1.00 0.14 N ATOM 443 CA THR A 234 1.553 2.934 5.769 1.00 0.16 C ATOM 444 C THR A 234 2.604 1.861 6.013 1.00 0.16 C ATOM 445 O THR A 234 2.283 0.703 6.272 1.00 0.22 O ATOM 446 CB THR A 234 1.096 3.556 7.104 1.00 0.22 C ATOM 447 OG1 THR A 234 0.147 4.603 6.840 1.00 0.33 O ATOM 448 CG2 THR A 234 2.275 4.123 7.884 1.00 0.24 C ATOM 0 H THR A 234 -0.311 2.004 5.615 1.00 0.14 H new ATOM 0 HA THR A 234 2.003 3.720 5.162 1.00 0.16 H new ATOM 0 HB THR A 234 0.636 2.773 7.707 1.00 0.22 H new ATOM 0 HG1 THR A 234 -0.147 4.999 7.687 1.00 0.33 H new ATOM 0 HG21 THR A 234 1.919 4.554 8.820 1.00 0.24 H new ATOM 0 HG22 THR A 234 2.986 3.325 8.099 1.00 0.24 H new ATOM 0 HG23 THR A 234 2.765 4.896 7.292 1.00 0.24 H new ATOM 456 N VAL A 235 3.851 2.240 5.800 1.00 0.14 N ATOM 457 CA VAL A 235 4.988 1.344 5.909 1.00 0.14 C ATOM 458 C VAL A 235 6.183 2.132 6.411 1.00 0.14 C ATOM 459 O VAL A 235 6.322 3.299 6.080 1.00 0.16 O ATOM 460 CB VAL A 235 5.355 0.734 4.537 1.00 0.14 C ATOM 461 CG1 VAL A 235 4.239 -0.141 4.017 1.00 0.15 C ATOM 462 CG2 VAL A 235 5.642 1.839 3.544 1.00 0.14 C ATOM 0 H VAL A 235 4.106 3.193 5.543 1.00 0.14 H new ATOM 0 HA VAL A 235 4.725 0.539 6.595 1.00 0.14 H new ATOM 0 HB VAL A 235 6.244 0.117 4.665 1.00 0.14 H new ATOM 0 HG11 VAL A 235 4.523 -0.557 3.051 1.00 0.15 H new ATOM 0 HG12 VAL A 235 4.054 -0.952 4.721 1.00 0.15 H new ATOM 0 HG13 VAL A 235 3.333 0.454 3.903 1.00 0.15 H new ATOM 0 HG21 VAL A 235 5.900 1.403 2.579 1.00 0.14 H new ATOM 0 HG22 VAL A 235 4.758 2.467 3.434 1.00 0.14 H new ATOM 0 HG23 VAL A 235 6.475 2.444 3.903 1.00 0.14 H new ATOM 472 N GLU A 236 7.124 1.478 7.049 1.00 0.13 N ATOM 473 CA GLU A 236 8.373 2.135 7.341 1.00 0.13 C ATOM 474 C GLU A 236 9.322 1.814 6.210 1.00 0.13 C ATOM 475 O GLU A 236 9.606 0.649 5.966 1.00 0.17 O ATOM 476 CB GLU A 236 8.957 1.662 8.671 1.00 0.18 C ATOM 477 CG GLU A 236 10.082 2.550 9.174 1.00 0.29 C ATOM 478 CD GLU A 236 10.700 2.056 10.464 1.00 0.54 C ATOM 479 OE1 GLU A 236 10.338 0.946 10.906 1.00 1.18 O ATOM 480 OE2 GLU A 236 11.535 2.774 11.049 1.00 1.05 O ATOM 0 H GLU A 236 7.052 0.512 7.370 1.00 0.13 H new ATOM 0 HA GLU A 236 8.215 3.210 7.430 1.00 0.13 H new ATOM 0 HB2 GLU A 236 8.165 1.630 9.419 1.00 0.18 H new ATOM 0 HB3 GLU A 236 9.329 0.644 8.557 1.00 0.18 H new ATOM 0 HG2 GLU A 236 10.856 2.613 8.409 1.00 0.29 H new ATOM 0 HG3 GLU A 236 9.700 3.559 9.325 1.00 0.29 H new ATOM 487 N LEU A 237 9.679 2.807 5.419 1.00 0.13 N ATOM 488 CA LEU A 237 10.512 2.553 4.258 1.00 0.15 C ATOM 489 C LEU A 237 11.952 2.335 4.661 1.00 0.17 C ATOM 490 O LEU A 237 12.454 2.974 5.576 1.00 0.19 O ATOM 491 CB LEU A 237 10.447 3.689 3.239 1.00 0.17 C ATOM 492 CG LEU A 237 9.388 3.533 2.151 1.00 0.23 C ATOM 493 CD1 LEU A 237 9.530 4.634 1.118 1.00 0.44 C ATOM 494 CD2 LEU A 237 9.496 2.171 1.490 1.00 0.55 C ATOM 0 H LEU A 237 9.411 3.782 5.554 1.00 0.13 H new ATOM 0 HA LEU A 237 10.119 1.649 3.792 1.00 0.15 H new ATOM 0 HB2 LEU A 237 10.262 4.622 3.772 1.00 0.17 H new ATOM 0 HB3 LEU A 237 11.423 3.783 2.762 1.00 0.17 H new ATOM 0 HG LEU A 237 8.404 3.612 2.614 1.00 0.23 H new ATOM 0 HD11 LEU A 237 8.769 4.511 0.348 1.00 0.44 H new ATOM 0 HD12 LEU A 237 9.405 5.604 1.600 1.00 0.44 H new ATOM 0 HD13 LEU A 237 10.519 4.580 0.663 1.00 0.44 H new ATOM 0 HD21 LEU A 237 8.732 2.080 0.718 1.00 0.55 H new ATOM 0 HD22 LEU A 237 10.483 2.062 1.040 1.00 0.55 H new ATOM 0 HD23 LEU A 237 9.351 1.391 2.238 1.00 0.55 H new ATOM 506 N ALA A 238 12.624 1.503 3.898 1.00 0.19 N ATOM 507 CA ALA A 238 14.053 1.317 4.027 1.00 0.21 C ATOM 508 C ALA A 238 14.751 2.386 3.206 1.00 0.23 C ATOM 509 O ALA A 238 15.755 2.969 3.615 1.00 0.28 O ATOM 510 CB ALA A 238 14.429 -0.064 3.528 1.00 0.25 C ATOM 0 H ALA A 238 12.195 0.934 3.168 1.00 0.19 H new ATOM 0 HA ALA A 238 14.357 1.402 5.070 1.00 0.21 H new ATOM 0 HB1 ALA A 238 15.505 -0.205 3.625 1.00 0.25 H new ATOM 0 HB2 ALA A 238 13.910 -0.818 4.119 1.00 0.25 H new ATOM 0 HB3 ALA A 238 14.143 -0.163 2.481 1.00 0.25 H new ATOM 516 N ASP A 239 14.165 2.648 2.045 1.00 0.22 N ATOM 517 CA ASP A 239 14.669 3.647 1.110 1.00 0.25 C ATOM 518 C ASP A 239 14.381 5.058 1.607 1.00 0.25 C ATOM 519 O ASP A 239 15.227 5.944 1.506 1.00 0.34 O ATOM 520 CB ASP A 239 14.002 3.457 -0.245 1.00 0.31 C ATOM 521 CG ASP A 239 14.665 4.276 -1.335 1.00 0.63 C ATOM 522 OD1 ASP A 239 14.623 5.518 -1.260 1.00 1.28 O ATOM 523 OD2 ASP A 239 15.224 3.679 -2.278 1.00 1.19 O ATOM 0 H ASP A 239 13.323 2.171 1.723 1.00 0.22 H new ATOM 0 HA ASP A 239 15.748 3.518 1.024 1.00 0.25 H new ATOM 0 HB2 ASP A 239 14.033 2.402 -0.517 1.00 0.31 H new ATOM 0 HB3 ASP A 239 12.951 3.737 -0.172 1.00 0.31 H new ATOM 528 N HIS A 240 13.142 5.254 2.066 1.00 0.27 N ATOM 529 CA HIS A 240 12.631 6.553 2.534 1.00 0.39 C ATOM 530 C HIS A 240 12.200 7.435 1.363 1.00 0.47 C ATOM 531 O HIS A 240 11.065 7.903 1.318 1.00 0.70 O ATOM 532 CB HIS A 240 13.657 7.319 3.387 1.00 0.46 C ATOM 533 CG HIS A 240 14.162 6.577 4.588 1.00 0.46 C ATOM 534 ND1 HIS A 240 13.946 5.308 5.014 1.00 0.56 N flip ATOM 535 CD2 HIS A 240 15.017 7.142 5.500 1.00 0.40 C flip ATOM 536 CE1 HIS A 240 14.675 5.137 6.166 1.00 0.57 C flip ATOM 537 NE2 HIS A 240 15.311 6.262 6.435 1.00 0.48 N flip ATOM 0 H HIS A 240 12.452 4.505 2.125 1.00 0.27 H new ATOM 0 HA HIS A 240 11.767 6.326 3.159 1.00 0.39 H new ATOM 0 HB2 HIS A 240 14.507 7.582 2.757 1.00 0.46 H new ATOM 0 HB3 HIS A 240 13.205 8.254 3.719 1.00 0.46 H new ATOM 0 HD1 HIS A 240 13.353 4.611 4.564 1.00 0.56 H new ATOM 0 HD2 HIS A 240 15.392 8.154 5.458 1.00 0.40 H new ATOM 0 HE1 HIS A 240 14.720 4.232 6.754 1.00 0.57 H new ATOM 546 N ASP A 241 13.123 7.699 0.450 1.00 0.41 N ATOM 547 CA ASP A 241 12.862 8.609 -0.666 1.00 0.51 C ATOM 548 C ASP A 241 12.067 7.945 -1.764 1.00 0.44 C ATOM 549 O ASP A 241 11.300 8.599 -2.471 1.00 0.78 O ATOM 550 CB ASP A 241 14.175 9.151 -1.229 1.00 0.80 C ATOM 551 CG ASP A 241 13.973 10.056 -2.430 1.00 1.53 C ATOM 552 OD1 ASP A 241 13.407 11.159 -2.270 1.00 2.08 O ATOM 553 OD2 ASP A 241 14.380 9.666 -3.549 1.00 2.22 O ATOM 0 H ASP A 241 14.061 7.298 0.456 1.00 0.41 H new ATOM 0 HA ASP A 241 12.266 9.434 -0.277 1.00 0.51 H new ATOM 0 HB2 ASP A 241 14.699 9.703 -0.449 1.00 0.80 H new ATOM 0 HB3 ASP A 241 14.815 8.316 -1.513 1.00 0.80 H new ATOM 558 N ALA A 242 12.317 6.667 -1.912 1.00 0.33 N ATOM 559 CA ALA A 242 11.713 5.822 -2.928 1.00 0.30 C ATOM 560 C ALA A 242 10.318 6.236 -3.348 1.00 0.24 C ATOM 561 O ALA A 242 9.406 6.297 -2.516 1.00 0.28 O ATOM 562 CB ALA A 242 11.636 4.433 -2.375 1.00 0.38 C ATOM 0 H ALA A 242 12.969 6.164 -1.310 1.00 0.33 H new ATOM 0 HA ALA A 242 12.338 5.904 -3.817 1.00 0.30 H new ATOM 0 HB1 ALA A 242 11.186 3.771 -3.115 1.00 0.38 H new ATOM 0 HB2 ALA A 242 12.639 4.081 -2.136 1.00 0.38 H new ATOM 0 HB3 ALA A 242 11.027 4.434 -1.471 1.00 0.38 H new ATOM 568 N GLU A 243 10.095 6.170 -4.648 1.00 0.26 N ATOM 569 CA GLU A 243 8.744 6.167 -5.149 1.00 0.30 C ATOM 570 C GLU A 243 8.201 4.777 -4.906 1.00 0.25 C ATOM 571 O GLU A 243 8.757 3.799 -5.409 1.00 0.25 O ATOM 572 CB GLU A 243 8.725 6.463 -6.644 1.00 0.39 C ATOM 573 CG GLU A 243 9.563 7.661 -7.042 1.00 0.67 C ATOM 574 CD GLU A 243 9.762 7.746 -8.540 1.00 1.10 C ATOM 575 OE1 GLU A 243 8.751 7.733 -9.279 1.00 1.56 O ATOM 576 OE2 GLU A 243 10.922 7.835 -8.987 1.00 1.64 O ATOM 0 H GLU A 243 10.822 6.119 -5.361 1.00 0.26 H new ATOM 0 HA GLU A 243 8.147 6.930 -4.650 1.00 0.30 H new ATOM 0 HB2 GLU A 243 9.083 5.586 -7.183 1.00 0.39 H new ATOM 0 HB3 GLU A 243 7.695 6.632 -6.958 1.00 0.39 H new ATOM 0 HG2 GLU A 243 9.081 8.573 -6.689 1.00 0.67 H new ATOM 0 HG3 GLU A 243 10.534 7.602 -6.551 1.00 0.67 H new ATOM 583 N VAL A 244 7.178 4.665 -4.095 1.00 0.24 N ATOM 584 CA VAL A 244 6.679 3.357 -3.758 1.00 0.21 C ATOM 585 C VAL A 244 5.545 2.960 -4.674 1.00 0.20 C ATOM 586 O VAL A 244 4.489 3.592 -4.703 1.00 0.23 O ATOM 587 CB VAL A 244 6.244 3.247 -2.279 1.00 0.22 C ATOM 588 CG1 VAL A 244 7.464 3.339 -1.370 1.00 0.24 C ATOM 589 CG2 VAL A 244 5.204 4.314 -1.918 1.00 0.27 C ATOM 0 H VAL A 244 6.684 5.446 -3.664 1.00 0.24 H new ATOM 0 HA VAL A 244 7.507 2.663 -3.899 1.00 0.21 H new ATOM 0 HB VAL A 244 5.771 2.276 -2.132 1.00 0.22 H new ATOM 0 HG11 VAL A 244 7.149 3.261 -0.329 1.00 0.24 H new ATOM 0 HG12 VAL A 244 8.153 2.527 -1.603 1.00 0.24 H new ATOM 0 HG13 VAL A 244 7.963 4.295 -1.527 1.00 0.24 H new ATOM 0 HG21 VAL A 244 4.921 4.207 -0.871 1.00 0.27 H new ATOM 0 HG22 VAL A 244 5.628 5.305 -2.080 1.00 0.27 H new ATOM 0 HG23 VAL A 244 4.322 4.190 -2.547 1.00 0.27 H new ATOM 599 N LYS A 245 5.746 1.856 -5.353 1.00 0.18 N ATOM 600 CA LYS A 245 4.699 1.268 -6.143 1.00 0.19 C ATOM 601 C LYS A 245 4.019 0.235 -5.282 1.00 0.15 C ATOM 602 O LYS A 245 4.610 -0.288 -4.343 1.00 0.16 O ATOM 603 CB LYS A 245 5.242 0.631 -7.426 1.00 0.30 C ATOM 604 CG LYS A 245 5.794 1.625 -8.438 1.00 0.89 C ATOM 605 CD LYS A 245 7.156 2.156 -8.025 1.00 1.51 C ATOM 606 CE LYS A 245 7.692 3.152 -9.034 1.00 2.00 C ATOM 607 NZ LYS A 245 9.036 3.656 -8.656 1.00 2.79 N ATOM 0 H LYS A 245 6.630 1.347 -5.372 1.00 0.18 H new ATOM 0 HA LYS A 245 3.996 2.039 -6.459 1.00 0.19 H new ATOM 0 HB2 LYS A 245 6.030 -0.074 -7.161 1.00 0.30 H new ATOM 0 HB3 LYS A 245 4.445 0.056 -7.897 1.00 0.30 H new ATOM 0 HG2 LYS A 245 5.872 1.145 -9.413 1.00 0.89 H new ATOM 0 HG3 LYS A 245 5.098 2.457 -8.547 1.00 0.89 H new ATOM 0 HD2 LYS A 245 7.081 2.631 -7.047 1.00 1.51 H new ATOM 0 HD3 LYS A 245 7.856 1.327 -7.924 1.00 1.51 H new ATOM 0 HE2 LYS A 245 7.744 2.681 -10.016 1.00 2.00 H new ATOM 0 HE3 LYS A 245 7.001 3.990 -9.119 1.00 2.00 H new ATOM 0 HZ1 LYS A 245 9.150 4.631 -8.998 1.00 2.79 H new ATOM 0 HZ2 LYS A 245 9.135 3.639 -7.621 1.00 2.79 H new ATOM 0 HZ3 LYS A 245 9.766 3.052 -9.084 1.00 2.79 H new ATOM 621 N TRP A 246 2.768 0.005 -5.505 1.00 0.14 N ATOM 622 CA TRP A 246 2.070 -0.956 -4.697 1.00 0.13 C ATOM 623 C TRP A 246 1.381 -1.919 -5.626 1.00 0.14 C ATOM 624 O TRP A 246 1.542 -1.821 -6.836 1.00 0.14 O ATOM 625 CB TRP A 246 1.123 -0.280 -3.687 1.00 0.14 C ATOM 626 CG TRP A 246 1.843 0.696 -2.782 1.00 0.12 C ATOM 627 CD1 TRP A 246 2.390 1.889 -3.160 1.00 0.14 C ATOM 628 CD2 TRP A 246 2.127 0.568 -1.370 1.00 0.11 C ATOM 629 NE1 TRP A 246 2.977 2.503 -2.090 1.00 0.15 N ATOM 630 CE2 TRP A 246 2.836 1.726 -0.990 1.00 0.12 C ATOM 631 CE3 TRP A 246 1.856 -0.388 -0.387 1.00 0.13 C ATOM 632 CZ2 TRP A 246 3.274 1.951 0.307 1.00 0.14 C ATOM 633 CZ3 TRP A 246 2.301 -0.150 0.910 1.00 0.15 C ATOM 634 CH2 TRP A 246 2.997 1.011 1.236 1.00 0.15 C ATOM 0 H TRP A 246 2.209 0.458 -6.228 1.00 0.14 H new ATOM 0 HA TRP A 246 2.769 -1.513 -4.073 1.00 0.13 H new ATOM 0 HB2 TRP A 246 0.335 0.244 -4.227 1.00 0.14 H new ATOM 0 HB3 TRP A 246 0.639 -1.045 -3.080 1.00 0.14 H new ATOM 0 HD1 TRP A 246 2.362 2.290 -4.162 1.00 0.14 H new ATOM 0 HE1 TRP A 246 3.449 3.407 -2.116 1.00 0.15 H new ATOM 0 HE3 TRP A 246 1.314 -1.290 -0.628 1.00 0.13 H new ATOM 0 HZ2 TRP A 246 3.818 2.848 0.565 1.00 0.14 H new ATOM 0 HZ3 TRP A 246 2.102 -0.881 1.680 1.00 0.15 H new ATOM 0 HH2 TRP A 246 3.323 1.163 2.254 1.00 0.15 H new ATOM 645 N LEU A 247 0.929 -3.007 -5.102 1.00 0.15 N ATOM 646 CA LEU A 247 0.469 -4.082 -5.941 1.00 0.14 C ATOM 647 C LEU A 247 -0.920 -4.500 -5.484 1.00 0.15 C ATOM 648 O LEU A 247 -1.108 -4.805 -4.337 1.00 0.16 O ATOM 649 CB LEU A 247 1.462 -5.248 -5.813 1.00 0.15 C ATOM 650 CG LEU A 247 2.301 -5.630 -7.038 1.00 0.16 C ATOM 651 CD1 LEU A 247 1.643 -6.764 -7.800 1.00 0.21 C ATOM 652 CD2 LEU A 247 2.546 -4.437 -7.943 1.00 0.17 C ATOM 0 H LEU A 247 0.864 -3.184 -4.100 1.00 0.15 H new ATOM 0 HA LEU A 247 0.412 -3.773 -6.985 1.00 0.14 H new ATOM 0 HB2 LEU A 247 2.149 -5.011 -5.001 1.00 0.15 H new ATOM 0 HB3 LEU A 247 0.900 -6.131 -5.507 1.00 0.15 H new ATOM 0 HG LEU A 247 3.273 -5.971 -6.682 1.00 0.16 H new ATOM 0 HD11 LEU A 247 2.252 -7.022 -8.666 1.00 0.21 H new ATOM 0 HD12 LEU A 247 1.550 -7.634 -7.150 1.00 0.21 H new ATOM 0 HD13 LEU A 247 0.653 -6.452 -8.133 1.00 0.21 H new ATOM 0 HD21 LEU A 247 3.144 -4.747 -8.800 1.00 0.17 H new ATOM 0 HD22 LEU A 247 1.591 -4.042 -8.290 1.00 0.17 H new ATOM 0 HD23 LEU A 247 3.079 -3.664 -7.390 1.00 0.17 H new ATOM 664 N LYS A 248 -1.845 -4.682 -6.388 1.00 0.19 N ATOM 665 CA LYS A 248 -3.074 -5.347 -6.014 1.00 0.25 C ATOM 666 C LYS A 248 -2.845 -6.813 -6.302 1.00 0.25 C ATOM 667 O LYS A 248 -1.956 -7.117 -7.090 1.00 0.21 O ATOM 668 CB LYS A 248 -4.278 -4.823 -6.808 1.00 0.34 C ATOM 669 CG LYS A 248 -5.609 -5.422 -6.369 1.00 0.77 C ATOM 670 CD LYS A 248 -6.790 -4.613 -6.884 1.00 0.95 C ATOM 671 CE LYS A 248 -6.993 -4.785 -8.381 1.00 1.57 C ATOM 672 NZ LYS A 248 -7.638 -6.082 -8.711 1.00 2.06 N ATOM 0 H LYS A 248 -1.781 -4.390 -7.363 1.00 0.19 H new ATOM 0 HA LYS A 248 -3.309 -5.164 -4.965 1.00 0.25 H new ATOM 0 HB2 LYS A 248 -4.326 -3.739 -6.705 1.00 0.34 H new ATOM 0 HB3 LYS A 248 -4.125 -5.036 -7.866 1.00 0.34 H new ATOM 0 HG2 LYS A 248 -5.684 -6.447 -6.733 1.00 0.77 H new ATOM 0 HG3 LYS A 248 -5.646 -5.467 -5.281 1.00 0.77 H new ATOM 0 HD2 LYS A 248 -7.695 -4.919 -6.359 1.00 0.95 H new ATOM 0 HD3 LYS A 248 -6.632 -3.558 -6.659 1.00 0.95 H new ATOM 0 HE2 LYS A 248 -7.607 -3.968 -8.759 1.00 1.57 H new ATOM 0 HE3 LYS A 248 -6.030 -4.720 -8.887 1.00 1.57 H new ATOM 0 HZ1 LYS A 248 -7.758 -6.158 -9.741 1.00 2.06 H new ATOM 0 HZ2 LYS A 248 -7.040 -6.863 -8.373 1.00 2.06 H new ATOM 0 HZ3 LYS A 248 -8.569 -6.134 -8.250 1.00 2.06 H new ATOM 686 N ASN A 249 -3.441 -7.708 -5.529 1.00 0.34 N ATOM 687 CA ASN A 249 -3.120 -9.129 -5.657 1.00 0.40 C ATOM 688 C ASN A 249 -3.084 -9.526 -7.139 1.00 0.35 C ATOM 689 O ASN A 249 -4.066 -9.358 -7.860 1.00 0.35 O ATOM 690 CB ASN A 249 -4.113 -9.990 -4.851 1.00 0.61 C ATOM 691 CG ASN A 249 -5.298 -10.505 -5.655 1.00 0.75 C ATOM 692 OD1 ASN A 249 -5.187 -11.483 -6.394 1.00 1.38 O ATOM 693 ND2 ASN A 249 -6.435 -9.842 -5.527 1.00 1.19 N ATOM 0 H ASN A 249 -4.138 -7.486 -4.818 1.00 0.34 H new ATOM 0 HA ASN A 249 -2.130 -9.311 -5.238 1.00 0.40 H new ATOM 0 HB2 ASN A 249 -3.578 -10.841 -4.430 1.00 0.61 H new ATOM 0 HB3 ASN A 249 -4.487 -9.402 -4.013 1.00 0.61 H new ATOM 0 HD21 ASN A 249 -7.259 -10.137 -6.051 1.00 1.19 H new ATOM 0 HD22 ASN A 249 -6.488 -9.036 -4.904 1.00 1.19 H new ATOM 700 N GLY A 250 -1.871 -9.762 -7.629 1.00 0.35 N ATOM 701 CA GLY A 250 -1.656 -9.967 -9.050 1.00 0.35 C ATOM 702 C GLY A 250 -1.505 -8.677 -9.859 1.00 0.33 C ATOM 703 O GLY A 250 -0.604 -8.574 -10.691 1.00 0.39 O ATOM 0 H GLY A 250 -1.026 -9.815 -7.061 1.00 0.35 H new ATOM 0 HA2 GLY A 250 -0.761 -10.574 -9.186 1.00 0.35 H new ATOM 0 HA3 GLY A 250 -2.492 -10.538 -9.453 1.00 0.35 H new ATOM 707 N GLN A 251 -2.413 -7.723 -9.672 1.00 0.30 N ATOM 708 CA GLN A 251 -2.410 -6.489 -10.471 1.00 0.36 C ATOM 709 C GLN A 251 -1.365 -5.499 -9.970 1.00 0.25 C ATOM 710 O GLN A 251 -1.246 -5.267 -8.780 1.00 0.28 O ATOM 711 CB GLN A 251 -3.797 -5.839 -10.449 1.00 0.52 C ATOM 712 CG GLN A 251 -4.865 -6.667 -11.144 1.00 1.28 C ATOM 713 CD GLN A 251 -4.591 -6.843 -12.625 1.00 2.00 C ATOM 714 OE1 GLN A 251 -4.549 -5.872 -13.382 1.00 2.77 O ATOM 715 NE2 GLN A 251 -4.412 -8.080 -13.054 1.00 2.59 N ATOM 0 H GLN A 251 -3.159 -7.775 -8.979 1.00 0.30 H new ATOM 0 HA GLN A 251 -2.154 -6.760 -11.495 1.00 0.36 H new ATOM 0 HB2 GLN A 251 -4.095 -5.671 -9.414 1.00 0.52 H new ATOM 0 HB3 GLN A 251 -3.739 -4.861 -10.926 1.00 0.52 H new ATOM 0 HG2 GLN A 251 -4.926 -7.647 -10.670 1.00 1.28 H new ATOM 0 HG3 GLN A 251 -5.835 -6.188 -11.012 1.00 1.28 H new ATOM 0 HE21 GLN A 251 -4.454 -8.859 -12.397 1.00 2.59 H new ATOM 0 HE22 GLN A 251 -4.232 -8.256 -14.042 1.00 2.59 H new ATOM 724 N GLU A 252 -0.598 -4.916 -10.868 1.00 0.26 N ATOM 725 CA GLU A 252 0.430 -3.974 -10.454 1.00 0.25 C ATOM 726 C GLU A 252 -0.130 -2.567 -10.285 1.00 0.27 C ATOM 727 O GLU A 252 -0.982 -2.125 -11.059 1.00 0.32 O ATOM 728 CB GLU A 252 1.612 -4.012 -11.411 1.00 0.32 C ATOM 729 CG GLU A 252 2.334 -5.348 -11.366 1.00 0.60 C ATOM 730 CD GLU A 252 3.687 -5.303 -12.039 1.00 1.05 C ATOM 731 OE1 GLU A 252 4.552 -4.525 -11.587 1.00 1.60 O ATOM 732 OE2 GLU A 252 3.892 -6.040 -13.027 1.00 1.49 O ATOM 0 H GLU A 252 -0.662 -5.072 -11.874 1.00 0.26 H new ATOM 0 HA GLU A 252 0.793 -4.280 -9.473 1.00 0.25 H new ATOM 0 HB2 GLU A 252 1.264 -3.822 -12.426 1.00 0.32 H new ATOM 0 HB3 GLU A 252 2.310 -3.214 -11.158 1.00 0.32 H new ATOM 0 HG2 GLU A 252 2.459 -5.654 -10.327 1.00 0.60 H new ATOM 0 HG3 GLU A 252 1.717 -6.106 -11.849 1.00 0.60 H new ATOM 739 N ILE A 253 0.217 -1.957 -9.156 1.00 0.23 N ATOM 740 CA ILE A 253 -0.359 -0.688 -8.742 1.00 0.27 C ATOM 741 C ILE A 253 0.687 0.440 -8.749 1.00 0.28 C ATOM 742 O ILE A 253 1.547 0.551 -7.863 1.00 0.28 O ATOM 743 CB ILE A 253 -1.024 -0.875 -7.351 1.00 0.26 C ATOM 744 CG1 ILE A 253 -2.453 -1.382 -7.503 1.00 0.31 C ATOM 745 CG2 ILE A 253 -0.984 0.367 -6.486 1.00 0.28 C ATOM 746 CD1 ILE A 253 -3.097 -1.737 -6.186 1.00 0.33 C ATOM 0 H ILE A 253 0.906 -2.331 -8.504 1.00 0.23 H new ATOM 0 HA ILE A 253 -1.123 -0.381 -9.457 1.00 0.27 H new ATOM 0 HB ILE A 253 -0.429 -1.624 -6.829 1.00 0.26 H new ATOM 0 HG12 ILE A 253 -3.052 -0.619 -8.000 1.00 0.31 H new ATOM 0 HG13 ILE A 253 -2.454 -2.259 -8.150 1.00 0.31 H new ATOM 0 HG21 ILE A 253 -1.467 0.161 -5.531 1.00 0.28 H new ATOM 0 HG22 ILE A 253 0.052 0.657 -6.314 1.00 0.28 H new ATOM 0 HG23 ILE A 253 -1.509 1.178 -6.990 1.00 0.28 H new ATOM 0 HD11 ILE A 253 -4.113 -2.091 -6.361 1.00 0.33 H new ATOM 0 HD12 ILE A 253 -2.518 -2.521 -5.698 1.00 0.33 H new ATOM 0 HD13 ILE A 253 -3.126 -0.855 -5.546 1.00 0.33 H new ATOM 758 N GLN A 254 0.605 1.275 -9.772 1.00 0.36 N ATOM 759 CA GLN A 254 1.496 2.416 -9.908 1.00 0.43 C ATOM 760 C GLN A 254 0.916 3.615 -9.171 1.00 0.61 C ATOM 761 O GLN A 254 -0.295 3.832 -9.194 1.00 1.42 O ATOM 762 CB GLN A 254 1.718 2.765 -11.384 1.00 0.70 C ATOM 763 CG GLN A 254 2.792 1.932 -12.081 1.00 1.00 C ATOM 764 CD GLN A 254 2.405 0.477 -12.289 1.00 1.75 C ATOM 765 OE1 GLN A 254 2.369 -0.319 -11.351 1.00 2.63 O ATOM 766 NE2 GLN A 254 2.109 0.119 -13.525 1.00 2.21 N ATOM 0 H GLN A 254 -0.075 1.183 -10.526 1.00 0.36 H new ATOM 0 HA GLN A 254 2.460 2.154 -9.471 1.00 0.43 H new ATOM 0 HB2 GLN A 254 0.776 2.640 -11.919 1.00 0.70 H new ATOM 0 HB3 GLN A 254 1.989 3.818 -11.458 1.00 0.70 H new ATOM 0 HG2 GLN A 254 3.014 2.381 -13.049 1.00 1.00 H new ATOM 0 HG3 GLN A 254 3.709 1.973 -11.493 1.00 1.00 H new ATOM 0 HE21 GLN A 254 2.149 0.805 -14.278 1.00 2.21 H new ATOM 0 HE22 GLN A 254 1.840 -0.844 -13.726 1.00 2.21 H new ATOM 775 N MET A 255 1.772 4.367 -8.498 1.00 0.59 N ATOM 776 CA MET A 255 1.334 5.530 -7.729 1.00 0.61 C ATOM 777 C MET A 255 0.763 6.608 -8.652 1.00 0.65 C ATOM 778 O MET A 255 1.180 6.744 -9.807 1.00 0.95 O ATOM 779 CB MET A 255 2.483 6.101 -6.886 1.00 0.95 C ATOM 780 CG MET A 255 3.526 6.868 -7.685 1.00 1.58 C ATOM 781 SD MET A 255 4.859 7.509 -6.652 1.00 2.30 S ATOM 782 CE MET A 255 5.747 8.518 -7.836 1.00 2.61 C ATOM 0 H MET A 255 2.777 4.196 -8.466 1.00 0.59 H new ATOM 0 HA MET A 255 0.546 5.202 -7.051 1.00 0.61 H new ATOM 0 HB2 MET A 255 2.066 6.762 -6.126 1.00 0.95 H new ATOM 0 HB3 MET A 255 2.975 5.282 -6.361 1.00 0.95 H new ATOM 0 HG2 MET A 255 3.946 6.214 -8.449 1.00 1.58 H new ATOM 0 HG3 MET A 255 3.044 7.696 -8.204 1.00 1.58 H new ATOM 0 HE1 MET A 255 6.603 8.984 -7.348 1.00 2.61 H new ATOM 0 HE2 MET A 255 6.095 7.893 -8.659 1.00 2.61 H new ATOM 0 HE3 MET A 255 5.085 9.292 -8.223 1.00 2.61 H new ATOM 792 N SER A 256 -0.241 7.323 -8.166 1.00 0.57 N ATOM 793 CA SER A 256 -0.915 8.350 -8.948 1.00 0.69 C ATOM 794 C SER A 256 -1.421 9.469 -8.031 1.00 1.00 C ATOM 795 O SER A 256 -0.820 9.728 -6.987 1.00 1.47 O ATOM 796 CB SER A 256 -2.063 7.719 -9.740 1.00 0.76 C ATOM 797 OG SER A 256 -1.579 6.693 -10.593 1.00 1.64 O ATOM 0 H SER A 256 -0.611 7.209 -7.222 1.00 0.57 H new ATOM 0 HA SER A 256 -0.211 8.792 -9.653 1.00 0.69 H new ATOM 0 HB2 SER A 256 -2.803 7.309 -9.053 1.00 0.76 H new ATOM 0 HB3 SER A 256 -2.567 8.483 -10.332 1.00 0.76 H new ATOM 0 HG SER A 256 -2.327 6.300 -11.090 1.00 1.64 H new ATOM 803 N GLY A 257 -2.490 10.158 -8.431 1.00 1.01 N ATOM 804 CA GLY A 257 -2.974 11.280 -7.644 1.00 1.41 C ATOM 805 C GLY A 257 -4.471 11.244 -7.411 1.00 1.28 C ATOM 806 O GLY A 257 -5.111 12.287 -7.274 1.00 1.69 O ATOM 0 H GLY A 257 -3.024 9.961 -9.277 1.00 1.01 H new ATOM 0 HA2 GLY A 257 -2.463 11.287 -6.681 1.00 1.41 H new ATOM 0 HA3 GLY A 257 -2.714 12.210 -8.150 1.00 1.41 H new ATOM 810 N SER A 258 -5.009 10.044 -7.270 1.00 1.07 N ATOM 811 CA SER A 258 -6.415 9.843 -6.930 1.00 0.96 C ATOM 812 C SER A 258 -6.576 8.442 -6.362 1.00 0.74 C ATOM 813 O SER A 258 -6.809 8.271 -5.169 1.00 1.14 O ATOM 814 CB SER A 258 -7.317 10.030 -8.155 1.00 1.08 C ATOM 815 OG SER A 258 -7.248 11.363 -8.646 1.00 1.77 O ATOM 0 H SER A 258 -4.485 9.177 -7.388 1.00 1.07 H new ATOM 0 HA SER A 258 -6.716 10.586 -6.191 1.00 0.96 H new ATOM 0 HB2 SER A 258 -7.018 9.335 -8.939 1.00 1.08 H new ATOM 0 HB3 SER A 258 -8.347 9.790 -7.892 1.00 1.08 H new ATOM 0 HG SER A 258 -6.595 11.871 -8.121 1.00 1.77 H new ATOM 821 N LYS A 259 -6.155 7.471 -7.149 1.00 0.51 N ATOM 822 CA LYS A 259 -5.946 6.130 -6.642 1.00 0.37 C ATOM 823 C LYS A 259 -4.456 5.951 -6.420 1.00 0.33 C ATOM 824 O LYS A 259 -3.666 6.551 -7.151 1.00 0.45 O ATOM 825 CB LYS A 259 -6.458 5.081 -7.629 1.00 0.48 C ATOM 826 CG LYS A 259 -7.954 5.136 -7.871 1.00 1.11 C ATOM 827 CD LYS A 259 -8.389 4.070 -8.862 1.00 1.59 C ATOM 828 CE LYS A 259 -9.890 4.099 -9.101 1.00 2.02 C ATOM 829 NZ LYS A 259 -10.313 3.054 -10.072 1.00 2.41 N ATOM 0 H LYS A 259 -5.951 7.586 -8.142 1.00 0.51 H new ATOM 0 HA LYS A 259 -6.497 5.997 -5.711 1.00 0.37 H new ATOM 0 HB2 LYS A 259 -5.942 5.211 -8.580 1.00 0.48 H new ATOM 0 HB3 LYS A 259 -6.197 4.090 -7.257 1.00 0.48 H new ATOM 0 HG2 LYS A 259 -8.483 4.997 -6.928 1.00 1.11 H new ATOM 0 HG3 LYS A 259 -8.228 6.121 -8.249 1.00 1.11 H new ATOM 0 HD2 LYS A 259 -7.868 4.219 -9.808 1.00 1.59 H new ATOM 0 HD3 LYS A 259 -8.099 3.088 -8.489 1.00 1.59 H new ATOM 0 HE2 LYS A 259 -10.412 3.950 -8.156 1.00 2.02 H new ATOM 0 HE3 LYS A 259 -10.180 5.081 -9.474 1.00 2.02 H new ATOM 0 HZ1 LYS A 259 -11.343 3.104 -10.210 1.00 2.41 H new ATOM 0 HZ2 LYS A 259 -9.834 3.211 -10.982 1.00 2.41 H new ATOM 0 HZ3 LYS A 259 -10.059 2.115 -9.704 1.00 2.41 H new ATOM 843 N TYR A 260 -4.064 5.130 -5.440 1.00 0.24 N ATOM 844 CA TYR A 260 -2.647 4.879 -5.187 1.00 0.27 C ATOM 845 C TYR A 260 -1.894 6.200 -4.992 1.00 0.27 C ATOM 846 O TYR A 260 -0.942 6.499 -5.710 1.00 0.29 O ATOM 847 CB TYR A 260 -2.028 4.072 -6.343 1.00 0.33 C ATOM 848 CG TYR A 260 -3.027 3.200 -7.076 1.00 0.43 C ATOM 849 CD1 TYR A 260 -3.738 2.212 -6.409 1.00 0.29 C ATOM 850 CD2 TYR A 260 -3.289 3.398 -8.426 1.00 0.84 C ATOM 851 CE1 TYR A 260 -4.670 1.438 -7.067 1.00 0.52 C ATOM 852 CE2 TYR A 260 -4.225 2.632 -9.091 1.00 1.11 C ATOM 853 CZ TYR A 260 -4.914 1.653 -8.406 1.00 0.95 C ATOM 854 OH TYR A 260 -5.857 0.892 -9.058 1.00 1.24 O ATOM 0 H TYR A 260 -4.702 4.635 -4.817 1.00 0.24 H new ATOM 0 HA TYR A 260 -2.559 4.294 -4.272 1.00 0.27 H new ATOM 0 HB2 TYR A 260 -1.571 4.762 -7.053 1.00 0.33 H new ATOM 0 HB3 TYR A 260 -1.229 3.443 -5.949 1.00 0.33 H new ATOM 0 HD1 TYR A 260 -3.558 2.047 -5.357 1.00 0.29 H new ATOM 0 HD2 TYR A 260 -2.751 4.164 -8.964 1.00 0.84 H new ATOM 0 HE1 TYR A 260 -5.207 0.666 -6.535 1.00 0.52 H new ATOM 0 HE2 TYR A 260 -4.417 2.798 -10.141 1.00 1.11 H new ATOM 0 HH TYR A 260 -5.909 1.169 -9.997 1.00 1.24 H new ATOM 864 N ILE A 261 -2.360 7.002 -4.046 1.00 0.26 N ATOM 865 CA ILE A 261 -1.777 8.313 -3.795 1.00 0.27 C ATOM 866 C ILE A 261 -0.536 8.190 -2.921 1.00 0.28 C ATOM 867 O ILE A 261 -0.564 7.563 -1.867 1.00 0.35 O ATOM 868 CB ILE A 261 -2.791 9.246 -3.097 1.00 0.29 C ATOM 869 CG1 ILE A 261 -4.009 9.486 -3.989 1.00 0.32 C ATOM 870 CG2 ILE A 261 -2.139 10.564 -2.713 1.00 0.33 C ATOM 871 CD1 ILE A 261 -5.073 10.351 -3.342 1.00 0.39 C ATOM 0 H ILE A 261 -3.144 6.767 -3.437 1.00 0.26 H new ATOM 0 HA ILE A 261 -1.504 8.739 -4.760 1.00 0.27 H new ATOM 0 HB ILE A 261 -3.128 8.756 -2.184 1.00 0.29 H new ATOM 0 HG12 ILE A 261 -3.683 9.958 -4.916 1.00 0.32 H new ATOM 0 HG13 ILE A 261 -4.447 8.525 -4.258 1.00 0.32 H new ATOM 0 HG21 ILE A 261 -2.873 11.204 -2.223 1.00 0.33 H new ATOM 0 HG22 ILE A 261 -1.310 10.375 -2.031 1.00 0.33 H new ATOM 0 HG23 ILE A 261 -1.766 11.060 -3.609 1.00 0.33 H new ATOM 0 HD11 ILE A 261 -5.907 10.479 -4.032 1.00 0.39 H new ATOM 0 HD12 ILE A 261 -5.427 9.871 -2.430 1.00 0.39 H new ATOM 0 HD13 ILE A 261 -4.651 11.326 -3.098 1.00 0.39 H new ATOM 883 N PHE A 262 0.554 8.775 -3.376 1.00 0.30 N ATOM 884 CA PHE A 262 1.806 8.724 -2.643 1.00 0.32 C ATOM 885 C PHE A 262 1.795 9.682 -1.452 1.00 0.30 C ATOM 886 O PHE A 262 1.340 10.824 -1.558 1.00 0.37 O ATOM 887 CB PHE A 262 2.983 9.026 -3.583 1.00 0.46 C ATOM 888 CG PHE A 262 2.746 10.182 -4.524 1.00 0.63 C ATOM 889 CD1 PHE A 262 2.763 11.485 -4.053 1.00 0.87 C ATOM 890 CD2 PHE A 262 2.495 9.967 -5.869 1.00 0.84 C ATOM 891 CE1 PHE A 262 2.537 12.549 -4.905 1.00 1.13 C ATOM 892 CE2 PHE A 262 2.270 11.026 -6.726 1.00 1.09 C ATOM 893 CZ PHE A 262 2.325 12.303 -6.271 1.00 1.18 C ATOM 0 H PHE A 262 0.599 9.293 -4.253 1.00 0.30 H new ATOM 0 HA PHE A 262 1.928 7.716 -2.247 1.00 0.32 H new ATOM 0 HB2 PHE A 262 3.868 9.237 -2.982 1.00 0.46 H new ATOM 0 HB3 PHE A 262 3.202 8.134 -4.170 1.00 0.46 H new ATOM 0 HD1 PHE A 262 2.955 11.671 -3.007 1.00 0.87 H new ATOM 0 HD2 PHE A 262 2.475 8.958 -6.253 1.00 0.84 H new ATOM 0 HE1 PHE A 262 2.524 13.560 -4.524 1.00 1.13 H new ATOM 0 HE2 PHE A 262 2.049 10.836 -7.766 1.00 1.09 H new ATOM 0 HZ PHE A 262 2.206 13.128 -6.958 1.00 1.18 H new ATOM 903 N GLU A 263 2.281 9.207 -0.314 1.00 0.26 N ATOM 904 CA GLU A 263 2.374 10.030 0.881 1.00 0.30 C ATOM 905 C GLU A 263 3.514 9.517 1.753 1.00 0.28 C ATOM 906 O GLU A 263 3.721 8.315 1.843 1.00 0.33 O ATOM 907 CB GLU A 263 1.046 9.998 1.644 1.00 0.37 C ATOM 908 CG GLU A 263 0.962 11.007 2.777 1.00 0.56 C ATOM 909 CD GLU A 263 -0.431 11.104 3.361 1.00 1.07 C ATOM 910 OE1 GLU A 263 -1.377 11.416 2.610 1.00 1.79 O ATOM 911 OE2 GLU A 263 -0.589 10.869 4.577 1.00 1.73 O ATOM 0 H GLU A 263 2.618 8.252 -0.194 1.00 0.26 H new ATOM 0 HA GLU A 263 2.579 11.064 0.603 1.00 0.30 H new ATOM 0 HB2 GLU A 263 0.232 10.184 0.944 1.00 0.37 H new ATOM 0 HB3 GLU A 263 0.895 8.998 2.050 1.00 0.37 H new ATOM 0 HG2 GLU A 263 1.664 10.726 3.563 1.00 0.56 H new ATOM 0 HG3 GLU A 263 1.269 11.987 2.411 1.00 0.56 H new ATOM 918 N SER A 264 4.329 10.411 2.287 1.00 0.34 N ATOM 919 CA SER A 264 5.486 9.992 3.063 1.00 0.36 C ATOM 920 C SER A 264 5.504 10.694 4.411 1.00 0.34 C ATOM 921 O SER A 264 5.264 11.901 4.500 1.00 0.39 O ATOM 922 CB SER A 264 6.782 10.284 2.301 1.00 0.46 C ATOM 923 OG SER A 264 7.867 9.540 2.833 1.00 1.41 O ATOM 0 H SER A 264 4.214 11.421 2.200 1.00 0.34 H new ATOM 0 HA SER A 264 5.414 8.917 3.228 1.00 0.36 H new ATOM 0 HB2 SER A 264 6.651 10.038 1.247 1.00 0.46 H new ATOM 0 HB3 SER A 264 7.007 11.349 2.355 1.00 0.46 H new ATOM 0 HG SER A 264 8.682 9.743 2.328 1.00 1.41 H new ATOM 929 N ILE A 265 5.730 9.922 5.464 1.00 0.31 N ATOM 930 CA ILE A 265 5.751 10.457 6.817 1.00 0.34 C ATOM 931 C ILE A 265 6.982 9.960 7.574 1.00 0.38 C ATOM 932 O ILE A 265 7.012 8.818 8.042 1.00 0.42 O ATOM 933 CB ILE A 265 4.481 10.059 7.603 1.00 0.42 C ATOM 934 CG1 ILE A 265 3.219 10.449 6.824 1.00 0.82 C ATOM 935 CG2 ILE A 265 4.478 10.718 8.979 1.00 0.73 C ATOM 936 CD1 ILE A 265 1.935 9.972 7.469 1.00 1.31 C ATOM 0 H ILE A 265 5.902 8.918 5.406 1.00 0.31 H new ATOM 0 HA ILE A 265 5.786 11.543 6.732 1.00 0.34 H new ATOM 0 HB ILE A 265 4.485 8.977 7.734 1.00 0.42 H new ATOM 0 HG12 ILE A 265 3.184 11.534 6.725 1.00 0.82 H new ATOM 0 HG13 ILE A 265 3.283 10.039 5.816 1.00 0.82 H new ATOM 0 HG21 ILE A 265 3.577 10.428 9.520 1.00 0.73 H new ATOM 0 HG22 ILE A 265 5.356 10.396 9.538 1.00 0.73 H new ATOM 0 HG23 ILE A 265 4.498 11.802 8.863 1.00 0.73 H new ATOM 0 HD11 ILE A 265 1.085 10.285 6.862 1.00 1.31 H new ATOM 0 HD12 ILE A 265 1.947 8.885 7.543 1.00 1.31 H new ATOM 0 HD13 ILE A 265 1.847 10.403 8.466 1.00 1.31 H new ATOM 948 N GLY A 266 7.987 10.826 7.698 1.00 0.48 N ATOM 949 CA GLY A 266 9.196 10.481 8.430 1.00 0.65 C ATOM 950 C GLY A 266 9.789 9.163 7.980 1.00 0.86 C ATOM 951 O GLY A 266 9.866 8.221 8.774 1.00 1.93 O ATOM 0 H GLY A 266 7.985 11.766 7.302 1.00 0.48 H new ATOM 0 HA2 GLY A 266 9.935 11.272 8.299 1.00 0.65 H new ATOM 0 HA3 GLY A 266 8.970 10.429 9.495 1.00 0.65 H new ATOM 955 N ALA A 267 10.032 9.053 6.670 1.00 0.48 N ATOM 956 CA ALA A 267 10.472 7.809 6.028 1.00 0.39 C ATOM 957 C ALA A 267 9.331 6.824 5.874 1.00 0.30 C ATOM 958 O ALA A 267 9.314 6.036 4.927 1.00 0.32 O ATOM 959 CB ALA A 267 11.605 7.137 6.774 1.00 0.44 C ATOM 0 H ALA A 267 9.928 9.832 6.019 1.00 0.48 H new ATOM 0 HA ALA A 267 10.834 8.102 5.042 1.00 0.39 H new ATOM 0 HB1 ALA A 267 11.890 6.222 6.255 1.00 0.44 H new ATOM 0 HB2 ALA A 267 12.461 7.810 6.819 1.00 0.44 H new ATOM 0 HB3 ALA A 267 11.281 6.894 7.786 1.00 0.44 H new ATOM 965 N LYS A 268 8.423 6.803 6.839 1.00 0.26 N ATOM 966 CA LYS A 268 7.322 5.873 6.781 1.00 0.25 C ATOM 967 C LYS A 268 6.410 6.249 5.631 1.00 0.29 C ATOM 968 O LYS A 268 5.767 7.301 5.630 1.00 0.47 O ATOM 969 CB LYS A 268 6.566 5.829 8.107 1.00 0.28 C ATOM 970 CG LYS A 268 7.377 5.196 9.231 1.00 0.30 C ATOM 971 CD LYS A 268 6.654 5.265 10.571 1.00 0.41 C ATOM 972 CE LYS A 268 6.784 6.637 11.228 1.00 1.20 C ATOM 973 NZ LYS A 268 6.044 7.699 10.494 1.00 2.00 N ATOM 0 H LYS A 268 8.431 7.412 7.657 1.00 0.26 H new ATOM 0 HA LYS A 268 7.710 4.869 6.607 1.00 0.25 H new ATOM 0 HB2 LYS A 268 6.286 6.843 8.394 1.00 0.28 H new ATOM 0 HB3 LYS A 268 5.641 5.269 7.973 1.00 0.28 H new ATOM 0 HG2 LYS A 268 7.585 4.155 8.985 1.00 0.30 H new ATOM 0 HG3 LYS A 268 8.339 5.702 9.312 1.00 0.30 H new ATOM 0 HD2 LYS A 268 5.599 5.033 10.425 1.00 0.41 H new ATOM 0 HD3 LYS A 268 7.058 4.505 11.239 1.00 0.41 H new ATOM 0 HE2 LYS A 268 6.412 6.582 12.251 1.00 1.20 H new ATOM 0 HE3 LYS A 268 7.838 6.909 11.286 1.00 1.20 H new ATOM 0 HZ1 LYS A 268 5.743 8.437 11.162 1.00 2.00 H new ATOM 0 HZ2 LYS A 268 6.664 8.118 9.772 1.00 2.00 H new ATOM 0 HZ3 LYS A 268 5.208 7.285 10.035 1.00 2.00 H new ATOM 987 N ARG A 269 6.466 5.432 4.602 1.00 0.16 N ATOM 988 CA ARG A 269 5.762 5.698 3.378 1.00 0.16 C ATOM 989 C ARG A 269 4.320 5.237 3.473 1.00 0.18 C ATOM 990 O ARG A 269 3.998 4.305 4.204 1.00 0.17 O ATOM 991 CB ARG A 269 6.459 5.027 2.197 1.00 0.20 C ATOM 992 CG ARG A 269 5.794 5.336 0.886 1.00 0.53 C ATOM 993 CD ARG A 269 5.965 6.800 0.507 1.00 0.79 C ATOM 994 NE ARG A 269 7.362 7.152 0.251 1.00 0.69 N ATOM 995 CZ ARG A 269 7.748 8.285 -0.340 1.00 0.97 C ATOM 996 NH1 ARG A 269 6.847 9.131 -0.819 1.00 1.85 N ATOM 997 NH2 ARG A 269 9.034 8.575 -0.460 1.00 1.17 N ATOM 0 H ARG A 269 7.003 4.565 4.596 1.00 0.16 H new ATOM 0 HA ARG A 269 5.767 6.776 3.214 1.00 0.16 H new ATOM 0 HB2 ARG A 269 7.498 5.353 2.159 1.00 0.20 H new ATOM 0 HB3 ARG A 269 6.469 3.948 2.350 1.00 0.20 H new ATOM 0 HG2 ARG A 269 6.217 4.705 0.104 1.00 0.53 H new ATOM 0 HG3 ARG A 269 4.732 5.097 0.950 1.00 0.53 H new ATOM 0 HD2 ARG A 269 5.371 7.014 -0.381 1.00 0.79 H new ATOM 0 HD3 ARG A 269 5.576 7.428 1.309 1.00 0.79 H new ATOM 0 HE ARG A 269 8.084 6.492 0.541 1.00 0.69 H new ATOM 0 HH11 ARG A 269 5.853 8.918 -0.737 1.00 1.85 H new ATOM 0 HH12 ARG A 269 7.148 9.995 -1.270 1.00 1.85 H new ATOM 0 HH21 ARG A 269 9.738 7.931 -0.100 1.00 1.17 H new ATOM 0 HH22 ARG A 269 9.321 9.443 -0.913 1.00 1.17 H new ATOM 1011 N THR A 270 3.442 5.967 2.825 1.00 0.18 N ATOM 1012 CA THR A 270 2.036 5.668 2.860 1.00 0.18 C ATOM 1013 C THR A 270 1.413 5.761 1.469 1.00 0.19 C ATOM 1014 O THR A 270 1.619 6.740 0.737 1.00 0.22 O ATOM 1015 CB THR A 270 1.313 6.620 3.824 1.00 0.20 C ATOM 1016 OG1 THR A 270 1.783 6.404 5.162 1.00 0.25 O ATOM 1017 CG2 THR A 270 -0.184 6.418 3.770 1.00 0.24 C ATOM 0 H THR A 270 3.685 6.782 2.261 1.00 0.18 H new ATOM 0 HA THR A 270 1.922 4.644 3.214 1.00 0.18 H new ATOM 0 HB THR A 270 1.530 7.644 3.519 1.00 0.20 H new ATOM 0 HG1 THR A 270 1.172 5.797 5.629 1.00 0.25 H new ATOM 0 HG21 THR A 270 -0.669 7.106 4.463 1.00 0.24 H new ATOM 0 HG22 THR A 270 -0.541 6.611 2.758 1.00 0.24 H new ATOM 0 HG23 THR A 270 -0.423 5.392 4.050 1.00 0.24 H new ATOM 1025 N LEU A 271 0.640 4.741 1.127 1.00 0.17 N ATOM 1026 CA LEU A 271 -0.088 4.716 -0.129 1.00 0.17 C ATOM 1027 C LEU A 271 -1.556 5.037 0.132 1.00 0.16 C ATOM 1028 O LEU A 271 -2.295 4.198 0.631 1.00 0.17 O ATOM 1029 CB LEU A 271 0.047 3.335 -0.778 1.00 0.20 C ATOM 1030 CG LEU A 271 -0.403 3.210 -2.239 1.00 0.26 C ATOM 1031 CD1 LEU A 271 -1.906 3.005 -2.344 1.00 0.56 C ATOM 1032 CD2 LEU A 271 0.038 4.426 -3.037 1.00 0.49 C ATOM 0 H LEU A 271 0.501 3.914 1.708 1.00 0.17 H new ATOM 0 HA LEU A 271 0.325 5.462 -0.807 1.00 0.17 H new ATOM 0 HB2 LEU A 271 1.092 3.032 -0.717 1.00 0.20 H new ATOM 0 HB3 LEU A 271 -0.526 2.623 -0.184 1.00 0.20 H new ATOM 0 HG LEU A 271 0.076 2.327 -2.663 1.00 0.26 H new ATOM 0 HD11 LEU A 271 -2.189 2.921 -3.393 1.00 0.56 H new ATOM 0 HD12 LEU A 271 -2.186 2.093 -1.818 1.00 0.56 H new ATOM 0 HD13 LEU A 271 -2.421 3.855 -1.896 1.00 0.56 H new ATOM 0 HD21 LEU A 271 -0.289 4.321 -4.071 1.00 0.49 H new ATOM 0 HD22 LEU A 271 -0.404 5.324 -2.606 1.00 0.49 H new ATOM 0 HD23 LEU A 271 1.125 4.506 -3.007 1.00 0.49 H new ATOM 1044 N THR A 272 -1.968 6.247 -0.163 1.00 0.18 N ATOM 1045 CA THR A 272 -3.340 6.650 0.075 1.00 0.21 C ATOM 1046 C THR A 272 -4.238 6.212 -1.083 1.00 0.22 C ATOM 1047 O THR A 272 -4.155 6.741 -2.188 1.00 0.29 O ATOM 1048 CB THR A 272 -3.434 8.174 0.272 1.00 0.27 C ATOM 1049 OG1 THR A 272 -2.395 8.609 1.162 1.00 0.33 O ATOM 1050 CG2 THR A 272 -4.785 8.561 0.852 1.00 0.30 C ATOM 0 H THR A 272 -1.376 6.972 -0.568 1.00 0.18 H new ATOM 0 HA THR A 272 -3.683 6.161 0.987 1.00 0.21 H new ATOM 0 HB THR A 272 -3.319 8.655 -0.699 1.00 0.27 H new ATOM 0 HG1 THR A 272 -2.352 9.588 1.161 1.00 0.33 H new ATOM 0 HG21 THR A 272 -4.829 9.642 0.983 1.00 0.30 H new ATOM 0 HG22 THR A 272 -5.577 8.245 0.172 1.00 0.30 H new ATOM 0 HG23 THR A 272 -4.920 8.073 1.817 1.00 0.30 H new ATOM 1058 N ILE A 273 -5.074 5.223 -0.840 1.00 0.23 N ATOM 1059 CA ILE A 273 -5.965 4.719 -1.868 1.00 0.26 C ATOM 1060 C ILE A 273 -7.362 5.318 -1.703 1.00 0.28 C ATOM 1061 O ILE A 273 -7.957 5.271 -0.616 1.00 0.27 O ATOM 1062 CB ILE A 273 -5.995 3.158 -1.879 1.00 0.31 C ATOM 1063 CG1 ILE A 273 -5.501 2.633 -3.228 1.00 0.41 C ATOM 1064 CG2 ILE A 273 -7.377 2.588 -1.580 1.00 0.32 C ATOM 1065 CD1 ILE A 273 -6.365 3.058 -4.393 1.00 0.86 C ATOM 0 H ILE A 273 -5.156 4.751 0.061 1.00 0.23 H new ATOM 0 HA ILE A 273 -5.582 5.032 -2.840 1.00 0.26 H new ATOM 0 HB ILE A 273 -5.331 2.826 -1.081 1.00 0.31 H new ATOM 0 HG12 ILE A 273 -4.482 2.983 -3.394 1.00 0.41 H new ATOM 0 HG13 ILE A 273 -5.462 1.544 -3.193 1.00 0.41 H new ATOM 0 HG21 ILE A 273 -7.334 1.499 -1.602 1.00 0.32 H new ATOM 0 HG22 ILE A 273 -7.701 2.919 -0.593 1.00 0.32 H new ATOM 0 HG23 ILE A 273 -8.085 2.938 -2.331 1.00 0.32 H new ATOM 0 HD11 ILE A 273 -5.956 2.650 -5.317 1.00 0.86 H new ATOM 0 HD12 ILE A 273 -7.379 2.685 -4.249 1.00 0.86 H new ATOM 0 HD13 ILE A 273 -6.384 4.146 -4.454 1.00 0.86 H new ATOM 1077 N SER A 274 -7.836 5.951 -2.772 1.00 0.33 N ATOM 1078 CA SER A 274 -9.134 6.600 -2.783 1.00 0.39 C ATOM 1079 C SER A 274 -10.036 5.928 -3.806 1.00 0.45 C ATOM 1080 O SER A 274 -9.570 5.563 -4.890 1.00 0.50 O ATOM 1081 CB SER A 274 -8.989 8.088 -3.115 1.00 0.52 C ATOM 1082 OG SER A 274 -10.239 8.761 -3.048 1.00 1.13 O ATOM 0 H SER A 274 -7.328 6.026 -3.653 1.00 0.33 H new ATOM 0 HA SER A 274 -9.579 6.507 -1.792 1.00 0.39 H new ATOM 0 HB2 SER A 274 -8.288 8.550 -2.420 1.00 0.52 H new ATOM 0 HB3 SER A 274 -8.568 8.200 -4.114 1.00 0.52 H new ATOM 0 HG SER A 274 -10.112 9.709 -3.263 1.00 1.13 H new ATOM 1088 N GLN A 275 -11.310 5.746 -3.449 1.00 0.51 N ATOM 1089 CA GLN A 275 -12.273 5.072 -4.318 1.00 0.62 C ATOM 1090 C GLN A 275 -11.783 3.657 -4.600 1.00 0.62 C ATOM 1091 O GLN A 275 -11.568 3.276 -5.750 1.00 0.74 O ATOM 1092 CB GLN A 275 -12.480 5.859 -5.621 1.00 0.75 C ATOM 1093 CG GLN A 275 -12.799 7.332 -5.389 1.00 0.90 C ATOM 1094 CD GLN A 275 -13.176 8.080 -6.654 1.00 1.53 C ATOM 1095 OE1 GLN A 275 -13.459 7.354 -7.725 1.00 2.14 O flip ATOM 1096 NE2 GLN A 275 -13.232 9.311 -6.661 1.00 2.27 N flip ATOM 0 H GLN A 275 -11.698 6.059 -2.559 1.00 0.51 H new ATOM 0 HA GLN A 275 -13.239 5.021 -3.817 1.00 0.62 H new ATOM 0 HB2 GLN A 275 -11.581 5.781 -6.232 1.00 0.75 H new ATOM 0 HB3 GLN A 275 -13.292 5.403 -6.188 1.00 0.75 H new ATOM 0 HG2 GLN A 275 -13.618 7.409 -4.674 1.00 0.90 H new ATOM 0 HG3 GLN A 275 -11.933 7.815 -4.936 1.00 0.90 H new ATOM 0 HE21 GLN A 275 -13.007 9.837 -5.816 1.00 2.27 H new ATOM 0 HE22 GLN A 275 -13.504 9.804 -7.511 1.00 2.27 H new ATOM 1105 N CYS A 276 -11.603 2.901 -3.519 1.00 0.60 N ATOM 1106 CA CYS A 276 -11.063 1.563 -3.556 1.00 0.69 C ATOM 1107 C CYS A 276 -11.277 1.017 -2.182 1.00 0.75 C ATOM 1108 O CYS A 276 -10.782 1.576 -1.198 1.00 1.27 O ATOM 1109 CB CYS A 276 -9.572 1.539 -3.924 1.00 0.80 C ATOM 1110 SG CYS A 276 -9.215 1.633 -5.698 1.00 2.00 S ATOM 0 H CYS A 276 -11.837 3.217 -2.578 1.00 0.60 H new ATOM 0 HA CYS A 276 -11.557 0.968 -4.325 1.00 0.69 H new ATOM 0 HB2 CYS A 276 -9.077 2.372 -3.425 1.00 0.80 H new ATOM 0 HB3 CYS A 276 -9.131 0.624 -3.529 1.00 0.80 H new ATOM 0 HG CYS A 276 -10.138 2.332 -6.290 1.00 2.00 H new ATOM 1116 N SER A 277 -12.302 0.221 -2.103 1.00 0.54 N ATOM 1117 CA SER A 277 -12.879 -0.115 -0.848 1.00 0.52 C ATOM 1118 C SER A 277 -13.781 -1.319 -1.012 1.00 0.48 C ATOM 1119 O SER A 277 -13.292 -2.420 -1.259 1.00 0.47 O ATOM 1120 CB SER A 277 -13.654 1.087 -0.321 1.00 0.56 C ATOM 1121 OG SER A 277 -14.549 1.598 -1.298 1.00 0.63 O ATOM 0 H SER A 277 -12.756 -0.210 -2.908 1.00 0.54 H new ATOM 0 HA SER A 277 -12.101 -0.371 -0.129 1.00 0.52 H new ATOM 0 HB2 SER A 277 -14.212 0.799 0.570 1.00 0.56 H new ATOM 0 HB3 SER A 277 -12.956 1.869 -0.021 1.00 0.56 H new ATOM 0 HG SER A 277 -14.664 2.562 -1.164 1.00 0.63 H new ATOM 1127 N LEU A 278 -15.093 -1.105 -0.882 1.00 0.51 N ATOM 1128 CA LEU A 278 -16.070 -2.181 -0.981 1.00 0.54 C ATOM 1129 C LEU A 278 -16.177 -2.680 -2.418 1.00 0.58 C ATOM 1130 O LEU A 278 -17.219 -2.558 -3.062 1.00 0.71 O ATOM 1131 CB LEU A 278 -17.442 -1.714 -0.490 1.00 0.63 C ATOM 1132 CG LEU A 278 -18.235 -2.755 0.305 1.00 0.78 C ATOM 1133 CD1 LEU A 278 -18.661 -3.924 -0.572 1.00 1.22 C ATOM 1134 CD2 LEU A 278 -17.402 -3.243 1.474 1.00 0.79 C ATOM 0 H LEU A 278 -15.501 -0.187 -0.707 1.00 0.51 H new ATOM 0 HA LEU A 278 -15.731 -3.001 -0.348 1.00 0.54 H new ATOM 0 HB2 LEU A 278 -17.306 -0.830 0.133 1.00 0.63 H new ATOM 0 HB3 LEU A 278 -18.035 -1.409 -1.352 1.00 0.63 H new ATOM 0 HG LEU A 278 -19.143 -2.282 0.679 1.00 0.78 H new ATOM 0 HD11 LEU A 278 -19.221 -4.642 0.026 1.00 1.22 H new ATOM 0 HD12 LEU A 278 -19.290 -3.559 -1.384 1.00 1.22 H new ATOM 0 HD13 LEU A 278 -17.777 -4.408 -0.987 1.00 1.22 H new ATOM 0 HD21 LEU A 278 -17.967 -3.984 2.039 1.00 0.79 H new ATOM 0 HD22 LEU A 278 -16.482 -3.695 1.102 1.00 0.79 H new ATOM 0 HD23 LEU A 278 -17.157 -2.402 2.122 1.00 0.79 H new ATOM 1146 N ALA A 279 -15.066 -3.166 -2.924 1.00 0.53 N ATOM 1147 CA ALA A 279 -14.957 -3.635 -4.281 1.00 0.61 C ATOM 1148 C ALA A 279 -13.636 -4.356 -4.445 1.00 0.58 C ATOM 1149 O ALA A 279 -13.558 -5.401 -5.092 1.00 0.62 O ATOM 1150 CB ALA A 279 -15.056 -2.472 -5.260 1.00 0.71 C ATOM 0 H ALA A 279 -14.199 -3.246 -2.392 1.00 0.53 H new ATOM 0 HA ALA A 279 -15.776 -4.321 -4.495 1.00 0.61 H new ATOM 0 HB1 ALA A 279 -14.971 -2.847 -6.280 1.00 0.71 H new ATOM 0 HB2 ALA A 279 -16.017 -1.972 -5.136 1.00 0.71 H new ATOM 0 HB3 ALA A 279 -14.251 -1.763 -5.066 1.00 0.71 H new ATOM 1156 N ASP A 280 -12.573 -3.748 -3.927 1.00 0.56 N ATOM 1157 CA ASP A 280 -11.242 -4.297 -4.123 1.00 0.59 C ATOM 1158 C ASP A 280 -10.609 -4.833 -2.848 1.00 0.50 C ATOM 1159 O ASP A 280 -9.396 -5.065 -2.809 1.00 0.70 O ATOM 1160 CB ASP A 280 -10.345 -3.247 -4.740 1.00 0.70 C ATOM 1161 CG ASP A 280 -10.446 -1.913 -4.054 1.00 1.21 C ATOM 1162 OD1 ASP A 280 -11.496 -1.254 -4.176 1.00 1.84 O ATOM 1163 OD2 ASP A 280 -9.467 -1.535 -3.373 1.00 1.77 O ATOM 0 H ASP A 280 -12.608 -2.889 -3.378 1.00 0.56 H new ATOM 0 HA ASP A 280 -11.352 -5.150 -4.793 1.00 0.59 H new ATOM 0 HB2 ASP A 280 -9.312 -3.592 -4.702 1.00 0.70 H new ATOM 0 HB3 ASP A 280 -10.603 -3.129 -5.792 1.00 0.70 H new ATOM 1168 N ASP A 281 -11.434 -5.198 -1.880 1.00 0.37 N ATOM 1169 CA ASP A 281 -10.950 -5.904 -0.711 1.00 0.33 C ATOM 1170 C ASP A 281 -10.399 -7.263 -1.140 1.00 0.34 C ATOM 1171 O ASP A 281 -11.107 -8.079 -1.730 1.00 0.43 O ATOM 1172 CB ASP A 281 -12.085 -6.034 0.313 1.00 0.40 C ATOM 1173 CG ASP A 281 -12.391 -7.459 0.749 1.00 0.52 C ATOM 1174 OD1 ASP A 281 -11.636 -8.023 1.567 1.00 1.12 O ATOM 1175 OD2 ASP A 281 -13.405 -8.023 0.280 1.00 0.81 O ATOM 0 H ASP A 281 -12.438 -5.017 -1.883 1.00 0.37 H new ATOM 0 HA ASP A 281 -10.140 -5.351 -0.234 1.00 0.33 H new ATOM 0 HB2 ASP A 281 -11.829 -5.446 1.195 1.00 0.40 H new ATOM 0 HB3 ASP A 281 -12.989 -5.596 -0.110 1.00 0.40 H new ATOM 1180 N ALA A 282 -9.098 -7.424 -0.975 1.00 0.31 N ATOM 1181 CA ALA A 282 -8.387 -8.606 -1.433 1.00 0.37 C ATOM 1182 C ALA A 282 -6.977 -8.604 -0.857 1.00 0.35 C ATOM 1183 O ALA A 282 -6.788 -8.917 0.314 1.00 0.58 O ATOM 1184 CB ALA A 282 -8.352 -8.662 -2.956 1.00 0.48 C ATOM 0 H ALA A 282 -8.501 -6.735 -0.517 1.00 0.31 H new ATOM 0 HA ALA A 282 -8.912 -9.495 -1.084 1.00 0.37 H new ATOM 0 HB1 ALA A 282 -7.815 -9.555 -3.275 1.00 0.48 H new ATOM 0 HB2 ALA A 282 -9.371 -8.694 -3.342 1.00 0.48 H new ATOM 0 HB3 ALA A 282 -7.845 -7.777 -3.341 1.00 0.48 H new ATOM 1190 N ALA A 283 -6.007 -8.134 -1.638 1.00 0.22 N ATOM 1191 CA ALA A 283 -4.654 -7.941 -1.134 1.00 0.17 C ATOM 1192 C ALA A 283 -3.953 -6.824 -1.898 1.00 0.15 C ATOM 1193 O ALA A 283 -3.959 -6.823 -3.130 1.00 0.19 O ATOM 1194 CB ALA A 283 -3.854 -9.234 -1.219 1.00 0.22 C ATOM 0 H ALA A 283 -6.134 -7.881 -2.618 1.00 0.22 H new ATOM 0 HA ALA A 283 -4.720 -7.652 -0.085 1.00 0.17 H new ATOM 0 HB1 ALA A 283 -2.847 -9.065 -0.837 1.00 0.22 H new ATOM 0 HB2 ALA A 283 -4.343 -10.004 -0.623 1.00 0.22 H new ATOM 0 HB3 ALA A 283 -3.798 -9.560 -2.258 1.00 0.22 H new ATOM 1200 N TYR A 284 -3.251 -5.952 -1.181 1.00 0.12 N ATOM 1201 CA TYR A 284 -2.393 -4.962 -1.829 1.00 0.13 C ATOM 1202 C TYR A 284 -0.947 -5.147 -1.345 1.00 0.14 C ATOM 1203 O TYR A 284 -0.616 -4.833 -0.211 1.00 0.16 O ATOM 1204 CB TYR A 284 -2.850 -3.494 -1.593 1.00 0.15 C ATOM 1205 CG TYR A 284 -4.038 -3.015 -2.427 1.00 0.19 C ATOM 1206 CD1 TYR A 284 -5.010 -3.898 -2.881 1.00 0.22 C ATOM 1207 CD2 TYR A 284 -4.179 -1.659 -2.772 1.00 0.26 C ATOM 1208 CE1 TYR A 284 -6.077 -3.459 -3.644 1.00 0.29 C ATOM 1209 CE2 TYR A 284 -5.244 -1.224 -3.532 1.00 0.32 C ATOM 1210 CZ TYR A 284 -6.189 -2.123 -3.965 1.00 0.35 C ATOM 1211 OH TYR A 284 -7.245 -1.684 -4.730 1.00 0.41 O ATOM 0 H TYR A 284 -3.257 -5.909 -0.162 1.00 0.12 H new ATOM 0 HA TYR A 284 -2.464 -5.134 -2.903 1.00 0.13 H new ATOM 0 HB2 TYR A 284 -3.103 -3.379 -0.539 1.00 0.15 H new ATOM 0 HB3 TYR A 284 -2.004 -2.836 -1.792 1.00 0.15 H new ATOM 0 HD1 TYR A 284 -4.931 -4.946 -2.634 1.00 0.22 H new ATOM 0 HD2 TYR A 284 -3.440 -0.946 -2.436 1.00 0.26 H new ATOM 0 HE1 TYR A 284 -6.821 -4.162 -3.988 1.00 0.29 H new ATOM 0 HE2 TYR A 284 -5.335 -0.178 -3.787 1.00 0.32 H new ATOM 0 HH TYR A 284 -7.926 -1.285 -4.149 1.00 0.41 H new ATOM 1221 N GLN A 285 -0.087 -5.618 -2.236 1.00 0.13 N ATOM 1222 CA GLN A 285 1.323 -5.775 -1.959 1.00 0.13 C ATOM 1223 C GLN A 285 2.026 -4.433 -2.083 1.00 0.12 C ATOM 1224 O GLN A 285 1.452 -3.467 -2.584 1.00 0.13 O ATOM 1225 CB GLN A 285 1.970 -6.774 -2.931 1.00 0.12 C ATOM 1226 CG GLN A 285 1.361 -8.165 -2.904 1.00 0.15 C ATOM 1227 CD GLN A 285 0.148 -8.317 -3.805 1.00 0.21 C ATOM 1228 OE1 GLN A 285 -0.084 -7.349 -4.682 1.00 0.29 O flip ATOM 1229 NE2 GLN A 285 -0.569 -9.311 -3.729 1.00 0.18 N flip ATOM 0 H GLN A 285 -0.356 -5.903 -3.178 1.00 0.13 H new ATOM 0 HA GLN A 285 1.426 -6.158 -0.944 1.00 0.13 H new ATOM 0 HB2 GLN A 285 1.894 -6.378 -3.943 1.00 0.12 H new ATOM 0 HB3 GLN A 285 3.032 -6.852 -2.698 1.00 0.12 H new ATOM 0 HG2 GLN A 285 2.118 -8.890 -3.203 1.00 0.15 H new ATOM 0 HG3 GLN A 285 1.075 -8.407 -1.880 1.00 0.15 H new ATOM 0 HE21 GLN A 285 -0.363 -10.037 -3.043 1.00 0.18 H new ATOM 0 HE22 GLN A 285 -1.371 -9.410 -4.352 1.00 0.18 H new ATOM 1238 N CYS A 286 3.267 -4.380 -1.642 1.00 0.14 N ATOM 1239 CA CYS A 286 4.040 -3.147 -1.700 1.00 0.19 C ATOM 1240 C CYS A 286 5.330 -3.363 -2.431 1.00 0.19 C ATOM 1241 O CYS A 286 5.894 -4.444 -2.360 1.00 0.20 O ATOM 1242 CB CYS A 286 4.321 -2.660 -0.318 1.00 0.28 C ATOM 1243 SG CYS A 286 5.393 -3.735 0.661 1.00 1.00 S ATOM 0 H CYS A 286 3.765 -5.174 -1.239 1.00 0.14 H new ATOM 0 HA CYS A 286 3.457 -2.400 -2.238 1.00 0.19 H new ATOM 0 HB2 CYS A 286 4.780 -1.673 -0.382 1.00 0.28 H new ATOM 0 HB3 CYS A 286 3.374 -2.538 0.208 1.00 0.28 H new ATOM 0 HG CYS A 286 6.545 -3.158 0.834 1.00 1.00 H new ATOM 1249 N VAL A 287 5.653 -2.448 -3.326 1.00 0.20 N ATOM 1250 CA VAL A 287 6.668 -2.747 -4.307 1.00 0.21 C ATOM 1251 C VAL A 287 7.544 -1.542 -4.658 1.00 0.22 C ATOM 1252 O VAL A 287 7.085 -0.406 -4.788 1.00 0.24 O ATOM 1253 CB VAL A 287 5.998 -3.368 -5.564 1.00 0.21 C ATOM 1254 CG1 VAL A 287 4.496 -3.518 -5.325 1.00 0.18 C ATOM 1255 CG2 VAL A 287 6.263 -2.567 -6.832 1.00 0.27 C ATOM 0 H VAL A 287 5.239 -1.518 -3.391 1.00 0.20 H new ATOM 0 HA VAL A 287 7.354 -3.473 -3.870 1.00 0.21 H new ATOM 0 HB VAL A 287 6.446 -4.349 -5.721 1.00 0.21 H new ATOM 0 HG11 VAL A 287 4.029 -3.954 -6.208 1.00 0.18 H new ATOM 0 HG12 VAL A 287 4.327 -4.169 -4.467 1.00 0.18 H new ATOM 0 HG13 VAL A 287 4.059 -2.539 -5.129 1.00 0.18 H new ATOM 0 HG21 VAL A 287 5.770 -3.049 -7.676 1.00 0.27 H new ATOM 0 HG22 VAL A 287 5.872 -1.556 -6.712 1.00 0.27 H new ATOM 0 HG23 VAL A 287 7.336 -2.522 -7.016 1.00 0.27 H new ATOM 1265 N VAL A 288 8.826 -1.806 -4.792 1.00 0.24 N ATOM 1266 CA VAL A 288 9.787 -0.784 -5.146 1.00 0.26 C ATOM 1267 C VAL A 288 10.751 -1.345 -6.179 1.00 0.33 C ATOM 1268 O VAL A 288 11.399 -2.365 -5.934 1.00 0.37 O ATOM 1269 CB VAL A 288 10.566 -0.288 -3.907 1.00 0.27 C ATOM 1270 CG1 VAL A 288 11.718 0.601 -4.319 1.00 0.31 C ATOM 1271 CG2 VAL A 288 9.646 0.461 -2.953 1.00 0.36 C ATOM 0 H VAL A 288 9.231 -2.733 -4.659 1.00 0.24 H new ATOM 0 HA VAL A 288 9.251 0.069 -5.561 1.00 0.26 H new ATOM 0 HB VAL A 288 10.965 -1.162 -3.392 1.00 0.27 H new ATOM 0 HG11 VAL A 288 12.253 0.939 -3.431 1.00 0.31 H new ATOM 0 HG12 VAL A 288 12.398 0.041 -4.961 1.00 0.31 H new ATOM 0 HG13 VAL A 288 11.335 1.465 -4.862 1.00 0.31 H new ATOM 0 HG21 VAL A 288 10.217 0.800 -2.089 1.00 0.36 H new ATOM 0 HG22 VAL A 288 9.215 1.322 -3.464 1.00 0.36 H new ATOM 0 HG23 VAL A 288 8.847 -0.202 -2.622 1.00 0.36 H new ATOM 1281 N GLY A 289 10.716 -0.776 -7.381 1.00 0.43 N ATOM 1282 CA GLY A 289 11.490 -1.306 -8.490 1.00 0.57 C ATOM 1283 C GLY A 289 10.876 -2.567 -9.080 1.00 0.73 C ATOM 1284 O GLY A 289 10.718 -2.689 -10.296 1.00 1.51 O ATOM 0 H GLY A 289 10.161 0.049 -7.607 1.00 0.43 H new ATOM 0 HA2 GLY A 289 11.571 -0.547 -9.268 1.00 0.57 H new ATOM 0 HA3 GLY A 289 12.503 -1.523 -8.151 1.00 0.57 H new ATOM 1288 N GLY A 290 10.498 -3.488 -8.208 1.00 0.41 N ATOM 1289 CA GLY A 290 9.905 -4.742 -8.631 1.00 0.41 C ATOM 1290 C GLY A 290 9.513 -5.606 -7.450 1.00 0.37 C ATOM 1291 O GLY A 290 8.547 -6.369 -7.522 1.00 0.64 O ATOM 0 H GLY A 290 10.593 -3.387 -7.197 1.00 0.41 H new ATOM 0 HA2 GLY A 290 9.025 -4.540 -9.242 1.00 0.41 H new ATOM 0 HA3 GLY A 290 10.611 -5.284 -9.259 1.00 0.41 H new ATOM 1295 N GLU A 291 10.292 -5.503 -6.377 1.00 0.27 N ATOM 1296 CA GLU A 291 10.066 -6.279 -5.162 1.00 0.22 C ATOM 1297 C GLU A 291 8.716 -5.949 -4.526 1.00 0.16 C ATOM 1298 O GLU A 291 8.475 -4.802 -4.171 1.00 0.19 O ATOM 1299 CB GLU A 291 11.196 -5.971 -4.173 1.00 0.26 C ATOM 1300 CG GLU A 291 12.485 -6.709 -4.495 1.00 0.53 C ATOM 1301 CD GLU A 291 13.608 -6.370 -3.545 1.00 1.48 C ATOM 1302 OE1 GLU A 291 14.043 -5.200 -3.529 1.00 2.11 O ATOM 1303 OE2 GLU A 291 14.055 -7.271 -2.804 1.00 2.19 O ATOM 0 H GLU A 291 11.097 -4.879 -6.325 1.00 0.27 H new ATOM 0 HA GLU A 291 10.056 -7.339 -5.417 1.00 0.22 H new ATOM 0 HB2 GLU A 291 11.389 -4.898 -4.173 1.00 0.26 H new ATOM 0 HB3 GLU A 291 10.873 -6.237 -3.167 1.00 0.26 H new ATOM 0 HG2 GLU A 291 12.301 -7.783 -4.463 1.00 0.53 H new ATOM 0 HG3 GLU A 291 12.791 -6.468 -5.513 1.00 0.53 H new ATOM 1310 N LYS A 292 7.875 -6.970 -4.320 1.00 0.18 N ATOM 1311 CA LYS A 292 6.554 -6.783 -3.711 1.00 0.16 C ATOM 1312 C LYS A 292 6.384 -7.604 -2.426 1.00 0.17 C ATOM 1313 O LYS A 292 6.702 -8.794 -2.383 1.00 0.29 O ATOM 1314 CB LYS A 292 5.445 -7.117 -4.714 1.00 0.18 C ATOM 1315 CG LYS A 292 5.652 -8.413 -5.469 1.00 0.23 C ATOM 1316 CD LYS A 292 4.562 -8.606 -6.504 1.00 0.29 C ATOM 1317 CE LYS A 292 4.886 -9.751 -7.446 1.00 0.49 C ATOM 1318 NZ LYS A 292 3.854 -9.917 -8.501 1.00 1.33 N ATOM 0 H LYS A 292 8.088 -7.936 -4.567 1.00 0.18 H new ATOM 0 HA LYS A 292 6.475 -5.732 -3.434 1.00 0.16 H new ATOM 0 HB2 LYS A 292 4.495 -7.169 -4.182 1.00 0.18 H new ATOM 0 HB3 LYS A 292 5.364 -6.301 -5.433 1.00 0.18 H new ATOM 0 HG2 LYS A 292 6.627 -8.405 -5.957 1.00 0.23 H new ATOM 0 HG3 LYS A 292 5.652 -9.251 -4.772 1.00 0.23 H new ATOM 0 HD2 LYS A 292 3.614 -8.803 -6.003 1.00 0.29 H new ATOM 0 HD3 LYS A 292 4.436 -7.687 -7.076 1.00 0.29 H new ATOM 0 HE2 LYS A 292 5.855 -9.573 -7.912 1.00 0.49 H new ATOM 0 HE3 LYS A 292 4.972 -10.676 -6.875 1.00 0.49 H new ATOM 0 HZ1 LYS A 292 4.116 -10.710 -9.121 1.00 1.33 H new ATOM 0 HZ2 LYS A 292 2.934 -10.113 -8.058 1.00 1.33 H new ATOM 0 HZ3 LYS A 292 3.789 -9.045 -9.063 1.00 1.33 H new ATOM 1332 N CYS A 293 5.792 -6.968 -1.414 1.00 0.16 N ATOM 1333 CA CYS A 293 5.465 -7.629 -0.152 1.00 0.18 C ATOM 1334 C CYS A 293 3.959 -7.679 -0.027 1.00 0.15 C ATOM 1335 O CYS A 293 3.303 -6.660 -0.220 1.00 0.14 O ATOM 1336 CB CYS A 293 6.027 -6.870 1.059 1.00 0.28 C ATOM 1337 SG CYS A 293 5.862 -7.754 2.626 1.00 1.55 S ATOM 0 H CYS A 293 5.527 -5.984 -1.447 1.00 0.16 H new ATOM 0 HA CYS A 293 5.908 -8.625 -0.161 1.00 0.18 H new ATOM 0 HB2 CYS A 293 7.082 -6.658 0.883 1.00 0.28 H new ATOM 0 HB3 CYS A 293 5.518 -5.910 1.141 1.00 0.28 H new ATOM 0 HG CYS A 293 6.366 -7.035 3.585 1.00 1.55 H new ATOM 1343 N SER A 294 3.413 -8.853 0.210 1.00 0.17 N ATOM 1344 CA SER A 294 1.976 -9.024 0.200 1.00 0.18 C ATOM 1345 C SER A 294 1.330 -8.580 1.501 1.00 0.17 C ATOM 1346 O SER A 294 1.769 -8.949 2.591 1.00 0.20 O ATOM 1347 CB SER A 294 1.626 -10.480 -0.068 1.00 0.27 C ATOM 1348 OG SER A 294 2.323 -10.972 -1.195 1.00 0.61 O ATOM 0 H SER A 294 3.942 -9.702 0.412 1.00 0.17 H new ATOM 0 HA SER A 294 1.585 -8.391 -0.596 1.00 0.18 H new ATOM 0 HB2 SER A 294 1.871 -11.083 0.806 1.00 0.27 H new ATOM 0 HB3 SER A 294 0.552 -10.575 -0.230 1.00 0.27 H new ATOM 0 HG SER A 294 1.789 -10.820 -2.002 1.00 0.61 H new ATOM 1354 N THR A 295 0.209 -7.896 1.364 1.00 0.17 N ATOM 1355 CA THR A 295 -0.605 -7.532 2.496 1.00 0.15 C ATOM 1356 C THR A 295 -2.068 -7.652 2.095 1.00 0.15 C ATOM 1357 O THR A 295 -2.445 -7.285 0.975 1.00 0.15 O ATOM 1358 CB THR A 295 -0.279 -6.104 2.992 1.00 0.18 C ATOM 1359 OG1 THR A 295 -0.168 -6.104 4.420 1.00 0.29 O ATOM 1360 CG2 THR A 295 -1.335 -5.096 2.570 1.00 0.20 C ATOM 0 H THR A 295 -0.157 -7.581 0.466 1.00 0.17 H new ATOM 0 HA THR A 295 -0.393 -8.206 3.326 1.00 0.15 H new ATOM 0 HB THR A 295 0.666 -5.807 2.537 1.00 0.18 H new ATOM 0 HG1 THR A 295 -0.556 -5.278 4.778 1.00 0.29 H new ATOM 0 HG21 THR A 295 -1.063 -4.108 2.941 1.00 0.20 H new ATOM 0 HG22 THR A 295 -1.399 -5.070 1.482 1.00 0.20 H new ATOM 0 HG23 THR A 295 -2.301 -5.386 2.984 1.00 0.20 H new ATOM 1368 N GLU A 296 -2.853 -8.306 2.928 1.00 0.15 N ATOM 1369 CA GLU A 296 -4.235 -8.572 2.590 1.00 0.15 C ATOM 1370 C GLU A 296 -5.079 -7.342 2.870 1.00 0.14 C ATOM 1371 O GLU A 296 -4.806 -6.581 3.803 1.00 0.19 O ATOM 1372 CB GLU A 296 -4.732 -9.797 3.353 1.00 0.18 C ATOM 1373 CG GLU A 296 -3.722 -10.932 3.317 1.00 0.22 C ATOM 1374 CD GLU A 296 -4.187 -12.184 4.029 1.00 0.34 C ATOM 1375 OE1 GLU A 296 -5.341 -12.200 4.506 1.00 0.76 O ATOM 1376 OE2 GLU A 296 -3.407 -13.156 4.113 1.00 0.96 O ATOM 0 H GLU A 296 -2.559 -8.661 3.838 1.00 0.15 H new ATOM 0 HA GLU A 296 -4.320 -8.794 1.526 1.00 0.15 H new ATOM 0 HB2 GLU A 296 -4.934 -9.523 4.388 1.00 0.18 H new ATOM 0 HB3 GLU A 296 -5.675 -10.135 2.923 1.00 0.18 H new ATOM 0 HG2 GLU A 296 -3.501 -11.177 2.278 1.00 0.22 H new ATOM 0 HG3 GLU A 296 -2.791 -10.592 3.770 1.00 0.22 H new ATOM 1383 N LEU A 297 -5.997 -7.068 1.971 1.00 0.15 N ATOM 1384 CA LEU A 297 -6.809 -5.875 2.056 1.00 0.15 C ATOM 1385 C LEU A 297 -8.246 -6.234 2.377 1.00 0.15 C ATOM 1386 O LEU A 297 -8.912 -6.920 1.609 1.00 0.23 O ATOM 1387 CB LEU A 297 -6.754 -5.094 0.742 1.00 0.22 C ATOM 1388 CG LEU A 297 -7.469 -3.744 0.774 1.00 0.21 C ATOM 1389 CD1 LEU A 297 -6.865 -2.869 1.857 1.00 0.26 C ATOM 1390 CD2 LEU A 297 -7.379 -3.049 -0.573 1.00 0.29 C ATOM 0 H LEU A 297 -6.201 -7.660 1.166 1.00 0.15 H new ATOM 0 HA LEU A 297 -6.412 -5.250 2.856 1.00 0.15 H new ATOM 0 HB2 LEU A 297 -5.710 -4.931 0.475 1.00 0.22 H new ATOM 0 HB3 LEU A 297 -7.193 -5.704 -0.047 1.00 0.22 H new ATOM 0 HG LEU A 297 -8.522 -3.916 0.995 1.00 0.21 H new ATOM 0 HD11 LEU A 297 -7.378 -1.907 1.876 1.00 0.26 H new ATOM 0 HD12 LEU A 297 -6.976 -3.359 2.824 1.00 0.26 H new ATOM 0 HD13 LEU A 297 -5.807 -2.712 1.649 1.00 0.26 H new ATOM 0 HD21 LEU A 297 -7.896 -2.091 -0.523 1.00 0.29 H new ATOM 0 HD22 LEU A 297 -6.332 -2.884 -0.828 1.00 0.29 H new ATOM 0 HD23 LEU A 297 -7.844 -3.673 -1.336 1.00 0.29 H new ATOM 1402 N PHE A 298 -8.731 -5.699 3.474 1.00 0.14 N ATOM 1403 CA PHE A 298 -10.116 -5.862 3.866 1.00 0.19 C ATOM 1404 C PHE A 298 -10.775 -4.496 3.823 1.00 0.19 C ATOM 1405 O PHE A 298 -10.123 -3.503 4.124 1.00 0.24 O ATOM 1406 CB PHE A 298 -10.219 -6.449 5.285 1.00 0.26 C ATOM 1407 CG PHE A 298 -9.678 -7.853 5.437 1.00 0.28 C ATOM 1408 CD1 PHE A 298 -8.391 -8.153 5.023 1.00 0.25 C ATOM 1409 CD2 PHE A 298 -10.453 -8.872 5.977 1.00 0.50 C ATOM 1410 CE1 PHE A 298 -7.885 -9.435 5.144 1.00 0.32 C ATOM 1411 CE2 PHE A 298 -9.952 -10.154 6.102 1.00 0.58 C ATOM 1412 CZ PHE A 298 -8.700 -10.441 5.754 1.00 0.45 C ATOM 0 H PHE A 298 -8.178 -5.138 4.122 1.00 0.14 H new ATOM 0 HA PHE A 298 -10.613 -6.552 3.185 1.00 0.19 H new ATOM 0 HB2 PHE A 298 -9.685 -5.794 5.973 1.00 0.26 H new ATOM 0 HB3 PHE A 298 -11.266 -6.444 5.589 1.00 0.26 H new ATOM 0 HD1 PHE A 298 -7.773 -7.375 4.600 1.00 0.25 H new ATOM 0 HD2 PHE A 298 -11.460 -8.659 6.303 1.00 0.50 H new ATOM 0 HE1 PHE A 298 -6.894 -9.672 4.785 1.00 0.32 H new ATOM 0 HE2 PHE A 298 -10.588 -10.937 6.489 1.00 0.58 H new ATOM 0 HZ PHE A 298 -8.301 -11.429 5.931 1.00 0.45 H new ATOM 1422 N VAL A 299 -12.049 -4.419 3.491 1.00 0.28 N ATOM 1423 CA VAL A 299 -12.714 -3.131 3.535 1.00 0.28 C ATOM 1424 C VAL A 299 -13.917 -3.148 4.471 1.00 0.32 C ATOM 1425 O VAL A 299 -14.894 -3.873 4.256 1.00 0.40 O ATOM 1426 CB VAL A 299 -13.107 -2.572 2.137 1.00 0.33 C ATOM 1427 CG1 VAL A 299 -13.918 -3.536 1.300 1.00 0.44 C ATOM 1428 CG2 VAL A 299 -13.854 -1.262 2.299 1.00 0.35 C ATOM 0 H VAL A 299 -12.629 -5.205 3.197 1.00 0.28 H new ATOM 0 HA VAL A 299 -11.970 -2.442 3.936 1.00 0.28 H new ATOM 0 HB VAL A 299 -12.175 -2.412 1.595 1.00 0.33 H new ATOM 0 HG11 VAL A 299 -14.154 -3.076 0.341 1.00 0.44 H new ATOM 0 HG12 VAL A 299 -13.343 -4.447 1.134 1.00 0.44 H new ATOM 0 HG13 VAL A 299 -14.843 -3.781 1.822 1.00 0.44 H new ATOM 0 HG21 VAL A 299 -14.127 -0.875 1.317 1.00 0.35 H new ATOM 0 HG22 VAL A 299 -14.757 -1.428 2.887 1.00 0.35 H new ATOM 0 HG23 VAL A 299 -13.216 -0.540 2.809 1.00 0.35 H new ATOM 1438 N LYS A 300 -13.870 -2.260 5.452 1.00 0.33 N ATOM 1439 CA LYS A 300 -14.987 -2.028 6.340 1.00 0.41 C ATOM 1440 C LYS A 300 -15.815 -0.898 5.758 1.00 0.40 C ATOM 1441 O LYS A 300 -15.264 0.122 5.329 1.00 0.37 O ATOM 1442 CB LYS A 300 -14.487 -1.666 7.740 1.00 0.48 C ATOM 1443 CG LYS A 300 -15.493 -1.951 8.839 1.00 1.17 C ATOM 1444 CD LYS A 300 -14.924 -1.620 10.208 1.00 1.72 C ATOM 1445 CE LYS A 300 -15.816 -2.144 11.321 1.00 2.32 C ATOM 1446 NZ LYS A 300 -15.901 -3.628 11.313 1.00 3.03 N ATOM 0 H LYS A 300 -13.053 -1.682 5.651 1.00 0.33 H new ATOM 0 HA LYS A 300 -15.594 -2.929 6.431 1.00 0.41 H new ATOM 0 HB2 LYS A 300 -13.572 -2.222 7.944 1.00 0.48 H new ATOM 0 HB3 LYS A 300 -14.229 -0.607 7.762 1.00 0.48 H new ATOM 0 HG2 LYS A 300 -16.397 -1.367 8.668 1.00 1.17 H new ATOM 0 HG3 LYS A 300 -15.782 -3.002 8.807 1.00 1.17 H new ATOM 0 HD2 LYS A 300 -13.928 -2.052 10.304 1.00 1.72 H new ATOM 0 HD3 LYS A 300 -14.813 -0.540 10.306 1.00 1.72 H new ATOM 0 HE2 LYS A 300 -15.430 -1.808 12.284 1.00 2.32 H new ATOM 0 HE3 LYS A 300 -16.816 -1.723 11.213 1.00 2.32 H new ATOM 0 HZ1 LYS A 300 -16.218 -3.963 12.245 1.00 3.03 H new ATOM 0 HZ2 LYS A 300 -16.580 -3.933 10.587 1.00 3.03 H new ATOM 0 HZ3 LYS A 300 -14.965 -4.028 11.101 1.00 3.03 H new ATOM 1460 N GLU A 301 -17.073 -1.169 5.504 1.00 0.50 N ATOM 1461 CA GLU A 301 -17.874 -0.268 4.736 1.00 0.57 C ATOM 1462 C GLU A 301 -18.980 0.357 5.585 1.00 0.65 C ATOM 1463 O GLU A 301 -19.756 1.174 5.052 1.00 1.41 O ATOM 1464 CB GLU A 301 -18.432 -1.036 3.558 1.00 0.83 C ATOM 1465 CG GLU A 301 -19.667 -1.827 3.870 1.00 0.66 C ATOM 1466 CD GLU A 301 -19.445 -3.053 4.745 1.00 0.90 C ATOM 1467 OE1 GLU A 301 -18.952 -2.921 5.878 1.00 1.44 O ATOM 1468 OE2 GLU A 301 -19.801 -4.165 4.307 1.00 1.21 O ATOM 1469 OXT GLU A 301 -19.066 0.034 6.791 1.00 1.20 O ATOM 0 H GLU A 301 -17.557 -2.009 5.821 1.00 0.50 H new ATOM 0 HA GLU A 301 -17.267 0.563 4.378 1.00 0.57 H new ATOM 0 HB2 GLU A 301 -18.657 -0.334 2.755 1.00 0.83 H new ATOM 0 HB3 GLU A 301 -17.665 -1.714 3.184 1.00 0.83 H new ATOM 0 HG2 GLU A 301 -20.384 -1.172 4.365 1.00 0.66 H new ATOM 0 HG3 GLU A 301 -20.122 -2.147 2.932 1.00 0.66 H new TER 1476 GLU A 301