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 213 THR OG1 : rot -104:sc= -0.379 USER MOD Set 1.2: A 286 CYS SG : rot 116:sc= -8.26! USER MOD Set 1.3: A 293 CYS SG : rot -34:sc= -6.08! USER MOD Set 2.1: A 234 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 270 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 218 LYS NZ :NH3+ 140:sc= -0.8 (180deg=-3.27!) USER MOD Set 3.2: A 223 TYR OH : rot -130:sc= -2.49! USER MOD Single : A 210 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 211 LYS NZ :NH3+ 167:sc= -0.311 (180deg=-0.614) USER MOD Single : A 212 SER OG : rot 180:sc= -0.258 USER MOD Single : A 216 GLN :FLIP amide:sc= -0.231 F(o=-2.5!,f=-0.23) USER MOD Single : A 217 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 224 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 226 SER OG : rot 180:sc= 0 USER MOD Single : A 227 LYS NZ :NH3+ -149:sc= 0.171 (180deg=-1.31) USER MOD Single : A 229 HIS : no HD1:sc= -0.214 X(o=-0.21,f=-0.21) USER MOD Single : A 230 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0114) USER MOD Single : A 240 HIS :FLIP no HE2:sc= 0.649 F(o=-2.9!,f=0.65) USER MOD Single : A 245 LYS NZ :NH3+ -160:sc= -0.0655 (180deg=-0.396) USER MOD Single : A 248 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 249 ASN :FLIP amide:sc= 0.612 F(o=-3.5!,f=0.61) USER MOD Single : A 251 GLN : amide:sc= -0.0406 K(o=-0.041,f=-0.94) USER MOD Single : A 254 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 255 MET CE :methyl -172:sc= -0.475 (180deg=-0.767) USER MOD Single : A 256 SER OG : rot 180:sc= -0.01 USER MOD Single : A 258 SER OG : rot 180:sc= 0 USER MOD Single : A 259 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 260 TYR OH : rot 12:sc= 0.825 USER MOD Single : A 264 SER OG : rot -170:sc= 0.99 USER MOD Single : A 268 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 272 THR OG1 : rot 180:sc= 0 USER MOD Single : A 274 SER OG : rot 180:sc= 0 USER MOD Single : A 275 GLN : amide:sc= 0 X(o=0,f=-0.0016) USER MOD Single : A 276 CYS SG : rot -121:sc= -3.04! USER MOD Single : A 277 SER OG : rot 180:sc= 0 USER MOD Single : A 284 TYR OH : rot 180:sc= -0.449 USER MOD Single : A 285 GLN :FLIP amide:sc= -10.7! C(o=-17!,f=-11!) USER MOD Single : A 292 LYS NZ :NH3+ -114:sc= 0.955 (180deg=0.173) USER MOD Single : A 294 SER OG : rot 180:sc= 0.0217 USER MOD Single : A 295 THR OG1 : rot -149:sc= -1.5! USER MOD Single : A 300 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 208 5.544 -14.136 -5.795 1.00 3.09 N ATOM 2 CA ASP A 208 6.717 -14.351 -4.916 1.00 2.68 C ATOM 3 C ASP A 208 6.818 -13.224 -3.905 1.00 1.97 C ATOM 4 O ASP A 208 7.813 -12.501 -3.860 1.00 2.14 O ATOM 5 CB ASP A 208 7.993 -14.399 -5.764 1.00 3.41 C ATOM 6 CG ASP A 208 7.959 -15.458 -6.847 1.00 4.18 C ATOM 7 OD1 ASP A 208 6.933 -16.156 -6.982 1.00 4.43 O ATOM 8 OD2 ASP A 208 8.962 -15.587 -7.585 1.00 4.71 O ATOM 0 HA ASP A 208 6.599 -15.296 -4.386 1.00 2.68 H new ATOM 0 HB2 ASP A 208 8.150 -13.424 -6.225 1.00 3.41 H new ATOM 0 HB3 ASP A 208 8.846 -14.585 -5.112 1.00 3.41 H new ATOM 13 N GLU A 209 5.745 -13.013 -3.161 1.00 1.38 N ATOM 14 CA GLU A 209 5.694 -11.919 -2.212 1.00 0.90 C ATOM 15 C GLU A 209 6.077 -12.387 -0.818 1.00 0.92 C ATOM 16 O GLU A 209 5.461 -13.295 -0.256 1.00 1.33 O ATOM 17 CB GLU A 209 4.309 -11.271 -2.192 1.00 1.00 C ATOM 18 CG GLU A 209 3.942 -10.565 -3.491 1.00 0.81 C ATOM 19 CD GLU A 209 3.569 -11.528 -4.600 1.00 1.10 C ATOM 20 OE1 GLU A 209 2.495 -12.157 -4.507 1.00 1.52 O ATOM 21 OE2 GLU A 209 4.358 -11.683 -5.554 1.00 1.51 O ATOM 0 H GLU A 209 4.901 -13.584 -3.197 1.00 1.38 H new ATOM 0 HA GLU A 209 6.418 -11.171 -2.535 1.00 0.90 H new ATOM 0 HB2 GLU A 209 3.563 -12.037 -1.982 1.00 1.00 H new ATOM 0 HB3 GLU A 209 4.266 -10.552 -1.374 1.00 1.00 H new ATOM 0 HG2 GLU A 209 3.107 -9.889 -3.308 1.00 0.81 H new ATOM 0 HG3 GLU A 209 4.783 -9.952 -3.816 1.00 0.81 H new ATOM 28 N LYS A 210 7.064 -11.717 -0.256 1.00 1.02 N ATOM 29 CA LYS A 210 7.542 -11.988 1.092 1.00 1.23 C ATOM 30 C LYS A 210 8.333 -10.784 1.561 1.00 1.22 C ATOM 31 O LYS A 210 8.820 -10.021 0.724 1.00 1.70 O ATOM 32 CB LYS A 210 8.407 -13.253 1.128 1.00 1.64 C ATOM 33 CG LYS A 210 8.990 -13.551 2.501 1.00 2.30 C ATOM 34 CD LYS A 210 9.582 -14.947 2.575 1.00 2.91 C ATOM 35 CE LYS A 210 8.510 -16.008 2.409 1.00 3.69 C ATOM 36 NZ LYS A 210 9.018 -17.370 2.712 1.00 4.13 N ATOM 0 H LYS A 210 7.564 -10.961 -0.724 1.00 1.02 H new ATOM 0 HA LYS A 210 6.694 -12.162 1.755 1.00 1.23 H new ATOM 0 HB2 LYS A 210 7.807 -14.103 0.805 1.00 1.64 H new ATOM 0 HB3 LYS A 210 9.222 -13.147 0.411 1.00 1.64 H new ATOM 0 HG2 LYS A 210 9.761 -12.817 2.735 1.00 2.30 H new ATOM 0 HG3 LYS A 210 8.211 -13.447 3.256 1.00 2.30 H new ATOM 0 HD2 LYS A 210 10.338 -15.066 1.799 1.00 2.91 H new ATOM 0 HD3 LYS A 210 10.085 -15.081 3.533 1.00 2.91 H new ATOM 0 HE2 LYS A 210 7.671 -15.780 3.066 1.00 3.69 H new ATOM 0 HE3 LYS A 210 8.131 -15.982 1.387 1.00 3.69 H new ATOM 0 HZ1 LYS A 210 8.252 -18.062 2.586 1.00 4.13 H new ATOM 0 HZ2 LYS A 210 9.802 -17.599 2.068 1.00 4.13 H new ATOM 0 HZ3 LYS A 210 9.356 -17.404 3.695 1.00 4.13 H new ATOM 50 N LYS A 211 8.306 -10.511 2.864 1.00 0.88 N ATOM 51 CA LYS A 211 8.895 -9.286 3.382 1.00 0.88 C ATOM 52 C LYS A 211 10.340 -9.122 2.936 1.00 0.95 C ATOM 53 O LYS A 211 11.220 -9.914 3.272 1.00 1.30 O ATOM 54 CB LYS A 211 8.787 -9.205 4.904 1.00 1.13 C ATOM 55 CG LYS A 211 7.757 -8.185 5.366 1.00 1.10 C ATOM 56 CD LYS A 211 8.058 -6.789 4.819 1.00 0.94 C ATOM 57 CE LYS A 211 8.890 -5.944 5.780 1.00 0.58 C ATOM 58 NZ LYS A 211 10.188 -6.582 6.135 1.00 1.33 N ATOM 0 H LYS A 211 7.887 -11.116 3.570 1.00 0.88 H new ATOM 0 HA LYS A 211 8.320 -8.461 2.962 1.00 0.88 H new ATOM 0 HB2 LYS A 211 8.523 -10.186 5.298 1.00 1.13 H new ATOM 0 HB3 LYS A 211 9.761 -8.946 5.320 1.00 1.13 H new ATOM 0 HG2 LYS A 211 6.765 -8.497 5.041 1.00 1.10 H new ATOM 0 HG3 LYS A 211 7.740 -8.153 6.455 1.00 1.10 H new ATOM 0 HD2 LYS A 211 8.589 -6.882 3.871 1.00 0.94 H new ATOM 0 HD3 LYS A 211 7.120 -6.275 4.610 1.00 0.94 H new ATOM 0 HE2 LYS A 211 9.081 -4.970 5.329 1.00 0.58 H new ATOM 0 HE3 LYS A 211 8.317 -5.767 6.690 1.00 0.58 H new ATOM 0 HZ1 LYS A 211 10.801 -5.884 6.603 1.00 1.33 H new ATOM 0 HZ2 LYS A 211 10.018 -7.381 6.779 1.00 1.33 H new ATOM 0 HZ3 LYS A 211 10.653 -6.927 5.271 1.00 1.33 H new ATOM 72 N SER A 212 10.528 -8.109 2.114 1.00 1.04 N ATOM 73 CA SER A 212 11.801 -7.770 1.513 1.00 1.39 C ATOM 74 C SER A 212 11.699 -6.325 1.051 1.00 1.11 C ATOM 75 O SER A 212 11.557 -5.428 1.884 1.00 1.73 O ATOM 76 CB SER A 212 12.112 -8.688 0.324 1.00 1.91 C ATOM 77 OG SER A 212 12.027 -10.055 0.686 1.00 2.46 O ATOM 0 H SER A 212 9.774 -7.480 1.838 1.00 1.04 H new ATOM 0 HA SER A 212 12.608 -7.898 2.234 1.00 1.39 H new ATOM 0 HB2 SER A 212 11.415 -8.482 -0.488 1.00 1.91 H new ATOM 0 HB3 SER A 212 13.112 -8.472 -0.052 1.00 1.91 H new ATOM 0 HG SER A 212 12.229 -10.613 -0.094 1.00 2.46 H new ATOM 83 N THR A 213 11.540 -6.137 -0.266 1.00 0.75 N ATOM 84 CA THR A 213 11.234 -4.831 -0.857 1.00 0.42 C ATOM 85 C THR A 213 12.157 -3.741 -0.309 1.00 0.62 C ATOM 86 O THR A 213 13.220 -4.029 0.250 1.00 1.59 O ATOM 87 CB THR A 213 9.736 -4.469 -0.621 1.00 0.48 C ATOM 88 OG1 THR A 213 9.453 -4.373 0.778 1.00 1.20 O ATOM 89 CG2 THR A 213 8.848 -5.523 -1.238 1.00 0.93 C ATOM 0 H THR A 213 11.620 -6.888 -0.951 1.00 0.75 H new ATOM 0 HA THR A 213 11.409 -4.894 -1.931 1.00 0.42 H new ATOM 0 HB THR A 213 9.540 -3.504 -1.088 1.00 0.48 H new ATOM 0 HG1 THR A 213 8.966 -5.172 1.069 1.00 1.20 H new ATOM 0 HG21 THR A 213 7.803 -5.263 -1.069 1.00 0.93 H new ATOM 0 HG22 THR A 213 9.039 -5.578 -2.310 1.00 0.93 H new ATOM 0 HG23 THR A 213 9.060 -6.490 -0.781 1.00 0.93 H new ATOM 97 N ALA A 214 11.726 -2.503 -0.407 1.00 0.50 N ATOM 98 CA ALA A 214 12.457 -1.409 0.177 1.00 0.39 C ATOM 99 C ALA A 214 11.701 -0.878 1.368 1.00 0.25 C ATOM 100 O ALA A 214 11.925 0.241 1.809 1.00 0.27 O ATOM 101 CB ALA A 214 12.650 -0.312 -0.831 1.00 0.48 C ATOM 0 H ALA A 214 10.869 -2.232 -0.889 1.00 0.50 H new ATOM 0 HA ALA A 214 13.436 -1.767 0.495 1.00 0.39 H new ATOM 0 HB1 ALA A 214 13.204 0.508 -0.375 1.00 0.48 H new ATOM 0 HB2 ALA A 214 13.208 -0.696 -1.685 1.00 0.48 H new ATOM 0 HB3 ALA A 214 11.678 0.049 -1.166 1.00 0.48 H new ATOM 107 N PHE A 215 10.754 -1.661 1.843 1.00 0.25 N ATOM 108 CA PHE A 215 9.956 -1.279 2.978 1.00 0.18 C ATOM 109 C PHE A 215 10.523 -1.953 4.201 1.00 0.21 C ATOM 110 O PHE A 215 10.436 -3.172 4.356 1.00 0.28 O ATOM 111 CB PHE A 215 8.481 -1.657 2.765 1.00 0.20 C ATOM 112 CG PHE A 215 7.904 -1.163 1.451 1.00 0.23 C ATOM 113 CD1 PHE A 215 8.379 -1.644 0.239 1.00 0.41 C ATOM 114 CD2 PHE A 215 6.878 -0.227 1.426 1.00 0.26 C ATOM 115 CE1 PHE A 215 7.846 -1.206 -0.956 1.00 0.46 C ATOM 116 CE2 PHE A 215 6.343 0.210 0.234 1.00 0.31 C ATOM 117 CZ PHE A 215 6.868 -0.233 -0.960 1.00 0.35 C ATOM 0 H PHE A 215 10.521 -2.574 1.452 1.00 0.25 H new ATOM 0 HA PHE A 215 9.988 -0.197 3.109 1.00 0.18 H new ATOM 0 HB2 PHE A 215 8.384 -2.742 2.808 1.00 0.20 H new ATOM 0 HB3 PHE A 215 7.890 -1.251 3.586 1.00 0.20 H new ATOM 0 HD1 PHE A 215 9.177 -2.371 0.231 1.00 0.41 H new ATOM 0 HD2 PHE A 215 6.493 0.165 2.356 1.00 0.26 H new ATOM 0 HE1 PHE A 215 8.195 -1.625 -1.888 1.00 0.46 H new ATOM 0 HE2 PHE A 215 5.512 0.900 0.236 1.00 0.31 H new ATOM 0 HZ PHE A 215 6.516 0.179 -1.894 1.00 0.35 H new ATOM 127 N GLN A 216 11.149 -1.136 5.024 1.00 0.18 N ATOM 128 CA GLN A 216 11.763 -1.562 6.261 1.00 0.21 C ATOM 129 C GLN A 216 10.774 -2.402 7.043 1.00 0.24 C ATOM 130 O GLN A 216 11.000 -3.584 7.303 1.00 0.31 O ATOM 131 CB GLN A 216 12.129 -0.312 7.051 1.00 0.20 C ATOM 132 CG GLN A 216 13.487 -0.368 7.731 1.00 0.25 C ATOM 133 CD GLN A 216 13.868 0.946 8.398 1.00 0.30 C ATOM 134 OE1 GLN A 216 13.097 1.994 8.145 1.00 0.92 O flip ATOM 135 NE2 GLN A 216 14.863 1.021 9.119 1.00 0.79 N flip ATOM 0 H GLN A 216 11.246 -0.136 4.846 1.00 0.18 H new ATOM 0 HA GLN A 216 12.655 -2.159 6.071 1.00 0.21 H new ATOM 0 HB2 GLN A 216 12.109 0.546 6.378 1.00 0.20 H new ATOM 0 HB3 GLN A 216 11.365 -0.140 7.809 1.00 0.20 H new ATOM 0 HG2 GLN A 216 13.481 -1.161 8.479 1.00 0.25 H new ATOM 0 HG3 GLN A 216 14.247 -0.630 6.994 1.00 0.25 H new ATOM 0 HE21 GLN A 216 15.432 0.192 9.291 1.00 0.79 H new ATOM 0 HE22 GLN A 216 15.118 1.912 9.545 1.00 0.79 H new ATOM 144 N LYS A 217 9.605 -1.825 7.241 1.00 0.20 N ATOM 145 CA LYS A 217 8.487 -2.551 7.786 1.00 0.22 C ATOM 146 C LYS A 217 7.212 -2.219 7.018 1.00 0.17 C ATOM 147 O LYS A 217 6.756 -1.085 7.041 1.00 0.17 O ATOM 148 CB LYS A 217 8.331 -2.191 9.262 1.00 0.28 C ATOM 149 CG LYS A 217 7.043 -2.685 9.884 1.00 0.36 C ATOM 150 CD LYS A 217 6.938 -2.248 11.334 1.00 0.59 C ATOM 151 CE LYS A 217 7.952 -2.968 12.208 1.00 1.26 C ATOM 152 NZ LYS A 217 7.992 -2.415 13.585 1.00 1.85 N ATOM 0 H LYS A 217 9.409 -0.847 7.029 1.00 0.20 H new ATOM 0 HA LYS A 217 8.668 -3.622 7.692 1.00 0.22 H new ATOM 0 HB2 LYS A 217 9.173 -2.605 9.817 1.00 0.28 H new ATOM 0 HB3 LYS A 217 8.381 -1.107 9.368 1.00 0.28 H new ATOM 0 HG2 LYS A 217 6.192 -2.300 9.322 1.00 0.36 H new ATOM 0 HG3 LYS A 217 6.999 -3.772 9.824 1.00 0.36 H new ATOM 0 HD2 LYS A 217 7.096 -1.172 11.403 1.00 0.59 H new ATOM 0 HD3 LYS A 217 5.932 -2.447 11.703 1.00 0.59 H new ATOM 0 HE2 LYS A 217 7.705 -4.029 12.250 1.00 1.26 H new ATOM 0 HE3 LYS A 217 8.941 -2.888 11.757 1.00 1.26 H new ATOM 0 HZ1 LYS A 217 8.696 -2.934 14.147 1.00 1.85 H new ATOM 0 HZ2 LYS A 217 8.252 -1.409 13.548 1.00 1.85 H new ATOM 0 HZ3 LYS A 217 7.055 -2.514 14.026 1.00 1.85 H new ATOM 166 N LYS A 218 6.552 -3.232 6.495 1.00 0.19 N ATOM 167 CA LYS A 218 5.224 -3.049 5.924 1.00 0.20 C ATOM 168 C LYS A 218 4.180 -3.360 6.984 1.00 0.18 C ATOM 169 O LYS A 218 4.390 -4.241 7.823 1.00 0.20 O ATOM 170 CB LYS A 218 5.024 -3.939 4.687 1.00 0.31 C ATOM 171 CG LYS A 218 3.625 -3.873 4.077 1.00 0.39 C ATOM 172 CD LYS A 218 3.566 -4.629 2.767 1.00 0.96 C ATOM 173 CE LYS A 218 2.207 -4.496 2.108 1.00 1.56 C ATOM 174 NZ LYS A 218 1.761 -3.080 2.012 1.00 2.42 N ATOM 0 H LYS A 218 6.907 -4.187 6.451 1.00 0.19 H new ATOM 0 HA LYS A 218 5.117 -2.014 5.600 1.00 0.20 H new ATOM 0 HB2 LYS A 218 5.751 -3.652 3.928 1.00 0.31 H new ATOM 0 HB3 LYS A 218 5.239 -4.972 4.960 1.00 0.31 H new ATOM 0 HG2 LYS A 218 2.900 -4.292 4.775 1.00 0.39 H new ATOM 0 HG3 LYS A 218 3.345 -2.832 3.913 1.00 0.39 H new ATOM 0 HD2 LYS A 218 4.336 -4.253 2.094 1.00 0.96 H new ATOM 0 HD3 LYS A 218 3.784 -5.682 2.944 1.00 0.96 H new ATOM 0 HE2 LYS A 218 2.246 -4.931 1.109 1.00 1.56 H new ATOM 0 HE3 LYS A 218 1.473 -5.068 2.676 1.00 1.56 H new ATOM 0 HZ1 LYS A 218 1.300 -2.923 1.093 1.00 2.42 H new ATOM 0 HZ2 LYS A 218 1.087 -2.876 2.777 1.00 2.42 H new ATOM 0 HZ3 LYS A 218 2.584 -2.450 2.098 1.00 2.42 H new ATOM 188 N LEU A 219 3.069 -2.634 6.963 1.00 0.16 N ATOM 189 CA LEU A 219 1.988 -2.878 7.904 1.00 0.16 C ATOM 190 C LEU A 219 1.444 -4.300 7.746 1.00 0.16 C ATOM 191 O LEU A 219 1.779 -4.994 6.781 1.00 0.17 O ATOM 192 CB LEU A 219 0.861 -1.852 7.744 1.00 0.20 C ATOM 193 CG LEU A 219 1.018 -0.568 8.560 1.00 0.66 C ATOM 194 CD1 LEU A 219 -0.252 0.262 8.479 1.00 1.20 C ATOM 195 CD2 LEU A 219 1.363 -0.884 10.010 1.00 1.62 C ATOM 0 H LEU A 219 2.895 -1.874 6.306 1.00 0.16 H new ATOM 0 HA LEU A 219 2.396 -2.770 8.909 1.00 0.16 H new ATOM 0 HB2 LEU A 219 0.784 -1.585 6.690 1.00 0.20 H new ATOM 0 HB3 LEU A 219 -0.080 -2.326 8.023 1.00 0.20 H new ATOM 0 HG LEU A 219 1.840 0.010 8.139 1.00 0.66 H new ATOM 0 HD11 LEU A 219 -0.129 1.174 9.064 1.00 1.20 H new ATOM 0 HD12 LEU A 219 -0.451 0.522 7.439 1.00 1.20 H new ATOM 0 HD13 LEU A 219 -1.089 -0.313 8.876 1.00 1.20 H new ATOM 0 HD21 LEU A 219 1.469 0.045 10.570 1.00 1.62 H new ATOM 0 HD22 LEU A 219 0.567 -1.484 10.451 1.00 1.62 H new ATOM 0 HD23 LEU A 219 2.300 -1.440 10.048 1.00 1.62 H new ATOM 207 N GLU A 220 0.685 -4.751 8.742 1.00 0.17 N ATOM 208 CA GLU A 220 0.163 -6.119 8.786 1.00 0.20 C ATOM 209 C GLU A 220 -0.459 -6.537 7.454 1.00 0.19 C ATOM 210 O GLU A 220 -0.999 -5.705 6.723 1.00 0.19 O ATOM 211 CB GLU A 220 -0.889 -6.236 9.892 1.00 0.23 C ATOM 212 CG GLU A 220 -2.042 -5.253 9.738 1.00 0.24 C ATOM 213 CD GLU A 220 -3.096 -5.421 10.810 1.00 0.75 C ATOM 214 OE1 GLU A 220 -3.767 -6.472 10.827 1.00 1.43 O ATOM 215 OE2 GLU A 220 -3.270 -4.502 11.633 1.00 1.12 O ATOM 0 H GLU A 220 0.413 -4.180 9.542 1.00 0.17 H new ATOM 0 HA GLU A 220 1.003 -6.784 8.990 1.00 0.20 H new ATOM 0 HB2 GLU A 220 -1.286 -7.251 9.900 1.00 0.23 H new ATOM 0 HB3 GLU A 220 -0.410 -6.074 10.857 1.00 0.23 H new ATOM 0 HG2 GLU A 220 -1.654 -4.235 9.772 1.00 0.24 H new ATOM 0 HG3 GLU A 220 -2.501 -5.387 8.758 1.00 0.24 H new ATOM 222 N PRO A 221 -0.366 -7.833 7.102 1.00 0.22 N ATOM 223 CA PRO A 221 -0.915 -8.370 5.849 1.00 0.23 C ATOM 224 C PRO A 221 -2.439 -8.351 5.814 1.00 0.20 C ATOM 225 O PRO A 221 -3.054 -9.212 5.197 1.00 0.19 O ATOM 226 CB PRO A 221 -0.406 -9.818 5.811 1.00 0.29 C ATOM 227 CG PRO A 221 0.656 -9.897 6.854 1.00 0.57 C ATOM 228 CD PRO A 221 0.292 -8.880 7.893 1.00 0.26 C ATOM 0 HA PRO A 221 -0.602 -7.770 4.994 1.00 0.23 H new ATOM 0 HB2 PRO A 221 -1.212 -10.522 6.018 1.00 0.29 H new ATOM 0 HB3 PRO A 221 -0.009 -10.068 4.827 1.00 0.29 H new ATOM 0 HG2 PRO A 221 0.704 -10.896 7.286 1.00 0.57 H new ATOM 0 HG3 PRO A 221 1.637 -9.686 6.428 1.00 0.57 H new ATOM 0 HD2 PRO A 221 -0.374 -9.295 8.650 1.00 0.26 H new ATOM 0 HD3 PRO A 221 1.171 -8.501 8.415 1.00 0.26 H new ATOM 236 N ALA A 222 -3.024 -7.295 6.352 1.00 0.20 N ATOM 237 CA ALA A 222 -4.457 -7.082 6.294 1.00 0.19 C ATOM 238 C ALA A 222 -4.790 -5.633 6.612 1.00 0.15 C ATOM 239 O ALA A 222 -5.161 -5.294 7.739 1.00 0.17 O ATOM 240 CB ALA A 222 -5.193 -8.017 7.236 1.00 0.24 C ATOM 0 H ALA A 222 -2.515 -6.559 6.843 1.00 0.20 H new ATOM 0 HA ALA A 222 -4.789 -7.304 5.280 1.00 0.19 H new ATOM 0 HB1 ALA A 222 -6.265 -7.832 7.169 1.00 0.24 H new ATOM 0 HB2 ALA A 222 -4.985 -9.050 6.959 1.00 0.24 H new ATOM 0 HB3 ALA A 222 -4.858 -7.841 8.258 1.00 0.24 H new ATOM 246 N TYR A 223 -4.714 -4.792 5.597 1.00 0.12 N ATOM 247 CA TYR A 223 -5.095 -3.398 5.733 1.00 0.11 C ATOM 248 C TYR A 223 -6.611 -3.308 5.684 1.00 0.13 C ATOM 249 O TYR A 223 -7.241 -3.971 4.865 1.00 0.17 O ATOM 250 CB TYR A 223 -4.501 -2.551 4.600 1.00 0.12 C ATOM 251 CG TYR A 223 -2.994 -2.369 4.626 1.00 0.12 C ATOM 252 CD1 TYR A 223 -2.198 -3.252 5.342 1.00 0.16 C ATOM 253 CD2 TYR A 223 -2.368 -1.311 3.981 1.00 0.18 C ATOM 254 CE1 TYR A 223 -0.826 -3.089 5.410 1.00 0.18 C ATOM 255 CE2 TYR A 223 -0.996 -1.144 4.054 1.00 0.20 C ATOM 256 CZ TYR A 223 -0.232 -2.037 4.572 1.00 0.16 C ATOM 257 OH TYR A 223 1.129 -1.876 4.859 1.00 0.21 O ATOM 0 H TYR A 223 -4.390 -5.052 4.665 1.00 0.12 H new ATOM 0 HA TYR A 223 -4.714 -3.016 6.680 1.00 0.11 H new ATOM 0 HB2 TYR A 223 -4.776 -3.008 3.649 1.00 0.12 H new ATOM 0 HB3 TYR A 223 -4.967 -1.566 4.627 1.00 0.12 H new ATOM 0 HD1 TYR A 223 -2.659 -4.083 5.856 1.00 0.16 H new ATOM 0 HD2 TYR A 223 -2.960 -0.608 3.414 1.00 0.18 H new ATOM 0 HE1 TYR A 223 -0.217 -3.708 6.052 1.00 0.18 H new ATOM 0 HE2 TYR A 223 -0.556 -0.238 3.665 1.00 0.20 H new ATOM 0 HH TYR A 223 1.322 -0.927 5.006 1.00 0.21 H new ATOM 267 N GLN A 224 -7.197 -2.565 6.604 1.00 0.15 N ATOM 268 CA GLN A 224 -8.645 -2.463 6.671 1.00 0.18 C ATOM 269 C GLN A 224 -9.122 -1.077 6.256 1.00 0.17 C ATOM 270 O GLN A 224 -8.999 -0.121 7.022 1.00 0.22 O ATOM 271 CB GLN A 224 -9.139 -2.781 8.080 1.00 0.26 C ATOM 272 CG GLN A 224 -8.946 -4.232 8.487 1.00 0.34 C ATOM 273 CD GLN A 224 -9.381 -4.486 9.913 1.00 0.61 C ATOM 274 OE1 GLN A 224 -8.782 -3.974 10.859 1.00 1.42 O ATOM 275 NE2 GLN A 224 -10.438 -5.263 10.083 1.00 0.99 N ATOM 0 H GLN A 224 -6.698 -2.026 7.312 1.00 0.15 H new ATOM 0 HA GLN A 224 -9.060 -3.191 5.974 1.00 0.18 H new ATOM 0 HB2 GLN A 224 -8.615 -2.142 8.791 1.00 0.26 H new ATOM 0 HB3 GLN A 224 -10.198 -2.533 8.148 1.00 0.26 H new ATOM 0 HG2 GLN A 224 -9.514 -4.875 7.815 1.00 0.34 H new ATOM 0 HG3 GLN A 224 -7.896 -4.503 8.375 1.00 0.34 H new ATOM 0 HE21 GLN A 224 -10.908 -5.669 9.274 1.00 0.99 H new ATOM 0 HE22 GLN A 224 -10.783 -5.456 11.023 1.00 0.99 H new ATOM 284 N VAL A 225 -9.706 -0.976 5.062 1.00 0.16 N ATOM 285 CA VAL A 225 -10.272 0.281 4.605 1.00 0.18 C ATOM 286 C VAL A 225 -11.406 0.688 5.516 1.00 0.24 C ATOM 287 O VAL A 225 -12.399 -0.027 5.612 1.00 0.30 O ATOM 288 CB VAL A 225 -10.884 0.215 3.183 1.00 0.28 C ATOM 289 CG1 VAL A 225 -11.138 1.616 2.653 1.00 0.77 C ATOM 290 CG2 VAL A 225 -10.038 -0.572 2.204 1.00 0.77 C ATOM 0 H VAL A 225 -9.796 -1.748 4.401 1.00 0.16 H new ATOM 0 HA VAL A 225 -9.439 0.984 4.605 1.00 0.18 H new ATOM 0 HB VAL A 225 -11.829 -0.320 3.276 1.00 0.28 H new ATOM 0 HG11 VAL A 225 -11.568 1.554 1.653 1.00 0.77 H new ATOM 0 HG12 VAL A 225 -11.831 2.135 3.315 1.00 0.77 H new ATOM 0 HG13 VAL A 225 -10.197 2.165 2.610 1.00 0.77 H new ATOM 0 HG21 VAL A 225 -10.523 -0.579 1.228 1.00 0.77 H new ATOM 0 HG22 VAL A 225 -9.055 -0.108 2.117 1.00 0.77 H new ATOM 0 HG23 VAL A 225 -9.926 -1.596 2.561 1.00 0.77 H new ATOM 300 N SER A 226 -11.412 1.933 5.911 1.00 0.26 N ATOM 301 CA SER A 226 -12.636 2.491 6.422 1.00 0.33 C ATOM 302 C SER A 226 -13.381 3.028 5.210 1.00 0.32 C ATOM 303 O SER A 226 -12.841 3.883 4.514 1.00 0.32 O ATOM 304 CB SER A 226 -12.347 3.596 7.430 1.00 0.42 C ATOM 305 OG SER A 226 -11.437 3.155 8.425 1.00 1.20 O ATOM 0 H SER A 226 -10.611 2.564 5.891 1.00 0.26 H new ATOM 0 HA SER A 226 -13.230 1.746 6.951 1.00 0.33 H new ATOM 0 HB2 SER A 226 -11.935 4.464 6.915 1.00 0.42 H new ATOM 0 HB3 SER A 226 -13.277 3.916 7.900 1.00 0.42 H new ATOM 0 HG SER A 226 -11.267 3.883 9.058 1.00 1.20 H new ATOM 311 N LYS A 227 -14.366 2.262 4.754 1.00 0.34 N ATOM 312 CA LYS A 227 -14.943 2.467 3.420 1.00 0.37 C ATOM 313 C LYS A 227 -15.150 3.949 3.100 1.00 0.42 C ATOM 314 O LYS A 227 -15.744 4.702 3.877 1.00 0.48 O ATOM 315 CB LYS A 227 -16.273 1.699 3.262 1.00 0.44 C ATOM 316 CG LYS A 227 -17.525 2.545 3.494 1.00 0.95 C ATOM 317 CD LYS A 227 -18.805 1.722 3.520 1.00 0.93 C ATOM 318 CE LYS A 227 -19.021 0.936 2.239 1.00 0.96 C ATOM 319 NZ LYS A 227 -20.371 0.313 2.197 1.00 1.54 N ATOM 0 H LYS A 227 -14.784 1.495 5.282 1.00 0.34 H new ATOM 0 HA LYS A 227 -14.221 2.071 2.706 1.00 0.37 H new ATOM 0 HB2 LYS A 227 -16.317 1.276 2.258 1.00 0.44 H new ATOM 0 HB3 LYS A 227 -16.280 0.863 3.961 1.00 0.44 H new ATOM 0 HG2 LYS A 227 -17.425 3.080 4.438 1.00 0.95 H new ATOM 0 HG3 LYS A 227 -17.599 3.297 2.708 1.00 0.95 H new ATOM 0 HD2 LYS A 227 -18.772 1.032 4.364 1.00 0.93 H new ATOM 0 HD3 LYS A 227 -19.655 2.384 3.683 1.00 0.93 H new ATOM 0 HE2 LYS A 227 -18.899 1.597 1.381 1.00 0.96 H new ATOM 0 HE3 LYS A 227 -18.260 0.161 2.155 1.00 0.96 H new ATOM 0 HZ1 LYS A 227 -20.327 -0.575 1.657 1.00 1.54 H new ATOM 0 HZ2 LYS A 227 -20.691 0.113 3.166 1.00 1.54 H new ATOM 0 HZ3 LYS A 227 -21.040 0.964 1.739 1.00 1.54 H new ATOM 333 N GLY A 228 -14.601 4.368 1.971 1.00 0.46 N ATOM 334 CA GLY A 228 -14.751 5.748 1.532 1.00 0.57 C ATOM 335 C GLY A 228 -13.888 6.736 2.303 1.00 0.57 C ATOM 336 O GLY A 228 -13.732 7.885 1.890 1.00 0.70 O ATOM 0 H GLY A 228 -14.052 3.779 1.346 1.00 0.46 H new ATOM 0 HA2 GLY A 228 -14.501 5.812 0.473 1.00 0.57 H new ATOM 0 HA3 GLY A 228 -15.797 6.039 1.631 1.00 0.57 H new ATOM 340 N HIS A 229 -13.294 6.283 3.399 1.00 0.47 N ATOM 341 CA HIS A 229 -12.401 7.121 4.198 1.00 0.53 C ATOM 342 C HIS A 229 -11.043 7.211 3.519 1.00 0.54 C ATOM 343 O HIS A 229 -10.168 7.967 3.951 1.00 1.02 O ATOM 344 CB HIS A 229 -12.266 6.552 5.616 1.00 0.55 C ATOM 345 CG HIS A 229 -11.305 7.290 6.504 1.00 1.32 C ATOM 346 ND1 HIS A 229 -11.402 8.638 6.777 1.00 1.94 N ATOM 347 CD2 HIS A 229 -10.221 6.850 7.185 1.00 2.31 C ATOM 348 CE1 HIS A 229 -10.421 8.993 7.585 1.00 2.66 C ATOM 349 NE2 HIS A 229 -9.691 7.927 7.846 1.00 2.89 N ATOM 0 H HIS A 229 -13.413 5.336 3.759 1.00 0.47 H new ATOM 0 HA HIS A 229 -12.821 8.124 4.276 1.00 0.53 H new ATOM 0 HB2 HIS A 229 -13.249 6.554 6.088 1.00 0.55 H new ATOM 0 HB3 HIS A 229 -11.948 5.512 5.546 1.00 0.55 H new ATOM 0 HD2 HIS A 229 -9.844 5.838 7.204 1.00 2.31 H new ATOM 0 HE1 HIS A 229 -10.246 9.988 7.967 1.00 2.66 H new ATOM 0 HE2 HIS A 229 -8.865 7.907 8.444 1.00 2.89 H new ATOM 358 N LYS A 230 -10.888 6.408 2.467 1.00 0.30 N ATOM 359 CA LYS A 230 -9.646 6.322 1.704 1.00 0.28 C ATOM 360 C LYS A 230 -8.591 5.600 2.531 1.00 0.24 C ATOM 361 O LYS A 230 -8.104 6.137 3.526 1.00 0.28 O ATOM 362 CB LYS A 230 -9.128 7.714 1.306 1.00 0.36 C ATOM 363 CG LYS A 230 -10.161 8.596 0.619 1.00 1.00 C ATOM 364 CD LYS A 230 -9.579 9.960 0.287 1.00 1.23 C ATOM 365 CE LYS A 230 -10.643 10.916 -0.229 1.00 1.65 C ATOM 366 NZ LYS A 230 -11.521 11.419 0.860 1.00 2.24 N ATOM 0 H LYS A 230 -11.626 5.796 2.119 1.00 0.30 H new ATOM 0 HA LYS A 230 -9.849 5.766 0.789 1.00 0.28 H new ATOM 0 HB2 LYS A 230 -8.769 8.224 2.200 1.00 0.36 H new ATOM 0 HB3 LYS A 230 -8.272 7.594 0.642 1.00 0.36 H new ATOM 0 HG2 LYS A 230 -10.507 8.112 -0.294 1.00 1.00 H new ATOM 0 HG3 LYS A 230 -11.030 8.715 1.266 1.00 1.00 H new ATOM 0 HD2 LYS A 230 -9.111 10.382 1.176 1.00 1.23 H new ATOM 0 HD3 LYS A 230 -8.796 9.849 -0.463 1.00 1.23 H new ATOM 0 HE2 LYS A 230 -10.162 11.759 -0.724 1.00 1.65 H new ATOM 0 HE3 LYS A 230 -11.251 10.410 -0.979 1.00 1.65 H new ATOM 0 HZ1 LYS A 230 -12.187 12.118 0.474 1.00 2.24 H new ATOM 0 HZ2 LYS A 230 -12.052 10.626 1.272 1.00 2.24 H new ATOM 0 HZ3 LYS A 230 -10.939 11.866 1.597 1.00 2.24 H new ATOM 380 N ILE A 231 -8.313 4.345 2.211 1.00 0.20 N ATOM 381 CA ILE A 231 -7.381 3.596 3.044 1.00 0.17 C ATOM 382 C ILE A 231 -5.937 3.838 2.609 1.00 0.16 C ATOM 383 O ILE A 231 -5.606 3.833 1.428 1.00 0.17 O ATOM 384 CB ILE A 231 -7.667 2.075 3.071 1.00 0.16 C ATOM 385 CG1 ILE A 231 -6.631 1.381 3.964 1.00 0.17 C ATOM 386 CG2 ILE A 231 -7.621 1.493 1.673 1.00 0.18 C ATOM 387 CD1 ILE A 231 -6.827 -0.105 4.110 1.00 0.19 C ATOM 0 H ILE A 231 -8.700 3.839 1.415 1.00 0.20 H new ATOM 0 HA ILE A 231 -7.527 3.971 4.057 1.00 0.17 H new ATOM 0 HB ILE A 231 -8.667 1.911 3.473 1.00 0.16 H new ATOM 0 HG12 ILE A 231 -5.637 1.565 3.556 1.00 0.17 H new ATOM 0 HG13 ILE A 231 -6.659 1.837 4.954 1.00 0.17 H new ATOM 0 HG21 ILE A 231 -7.825 0.423 1.717 1.00 0.18 H new ATOM 0 HG22 ILE A 231 -8.372 1.980 1.051 1.00 0.18 H new ATOM 0 HG23 ILE A 231 -6.633 1.656 1.243 1.00 0.18 H new ATOM 0 HD11 ILE A 231 -6.051 -0.513 4.757 1.00 0.19 H new ATOM 0 HD12 ILE A 231 -7.805 -0.302 4.549 1.00 0.19 H new ATOM 0 HD13 ILE A 231 -6.767 -0.578 3.130 1.00 0.19 H new ATOM 399 N ARG A 232 -5.114 4.175 3.580 1.00 0.17 N ATOM 400 CA ARG A 232 -3.725 4.518 3.339 1.00 0.17 C ATOM 401 C ARG A 232 -2.826 3.315 3.629 1.00 0.15 C ATOM 402 O ARG A 232 -3.061 2.594 4.601 1.00 0.19 O ATOM 403 CB ARG A 232 -3.363 5.695 4.237 1.00 0.22 C ATOM 404 CG ARG A 232 -4.181 6.942 3.953 1.00 0.34 C ATOM 405 CD ARG A 232 -4.060 7.962 5.074 1.00 0.77 C ATOM 406 NE ARG A 232 -4.715 9.231 4.745 1.00 1.44 N ATOM 407 CZ ARG A 232 -6.027 9.383 4.546 1.00 2.13 C ATOM 408 NH1 ARG A 232 -6.863 8.365 4.717 1.00 2.48 N ATOM 409 NH2 ARG A 232 -6.507 10.566 4.187 1.00 3.14 N ATOM 0 H ARG A 232 -5.389 4.219 4.561 1.00 0.17 H new ATOM 0 HA ARG A 232 -3.579 4.795 2.295 1.00 0.17 H new ATOM 0 HB2 ARG A 232 -3.505 5.405 5.278 1.00 0.22 H new ATOM 0 HB3 ARG A 232 -2.305 5.927 4.112 1.00 0.22 H new ATOM 0 HG2 ARG A 232 -3.849 7.390 3.016 1.00 0.34 H new ATOM 0 HG3 ARG A 232 -5.228 6.668 3.822 1.00 0.34 H new ATOM 0 HD2 ARG A 232 -4.501 7.553 5.983 1.00 0.77 H new ATOM 0 HD3 ARG A 232 -3.006 8.144 5.285 1.00 0.77 H new ATOM 0 HE ARG A 232 -4.126 10.059 4.662 1.00 1.44 H new ATOM 0 HH11 ARG A 232 -6.505 7.454 5.004 1.00 2.48 H new ATOM 0 HH12 ARG A 232 -7.863 8.494 4.562 1.00 2.48 H new ATOM 0 HH21 ARG A 232 -5.875 11.357 4.064 1.00 3.14 H new ATOM 0 HH22 ARG A 232 -7.508 10.685 4.034 1.00 3.14 H new ATOM 423 N LEU A 233 -1.816 3.064 2.788 1.00 0.13 N ATOM 424 CA LEU A 233 -0.958 1.926 2.996 1.00 0.14 C ATOM 425 C LEU A 233 0.313 2.379 3.673 1.00 0.13 C ATOM 426 O LEU A 233 1.229 2.876 3.019 1.00 0.13 O ATOM 427 CB LEU A 233 -0.662 1.230 1.658 1.00 0.15 C ATOM 428 CG LEU A 233 -1.755 0.261 1.167 1.00 0.17 C ATOM 429 CD1 LEU A 233 -3.075 0.980 0.927 1.00 0.18 C ATOM 430 CD2 LEU A 233 -1.318 -0.455 -0.098 1.00 0.23 C ATOM 0 H LEU A 233 -1.587 3.633 1.973 1.00 0.13 H new ATOM 0 HA LEU A 233 -1.457 1.202 3.640 1.00 0.14 H new ATOM 0 HB2 LEU A 233 -0.507 1.994 0.896 1.00 0.15 H new ATOM 0 HB3 LEU A 233 0.274 0.679 1.752 1.00 0.15 H new ATOM 0 HG LEU A 233 -1.907 -0.477 1.955 1.00 0.17 H new ATOM 0 HD11 LEU A 233 -3.821 0.265 0.582 1.00 0.18 H new ATOM 0 HD12 LEU A 233 -3.414 1.438 1.856 1.00 0.18 H new ATOM 0 HD13 LEU A 233 -2.936 1.753 0.171 1.00 0.18 H new ATOM 0 HD21 LEU A 233 -2.107 -1.133 -0.424 1.00 0.23 H new ATOM 0 HD22 LEU A 233 -1.122 0.277 -0.881 1.00 0.23 H new ATOM 0 HD23 LEU A 233 -0.410 -1.024 0.101 1.00 0.23 H new ATOM 442 N THR A 234 0.308 2.309 4.994 1.00 0.14 N ATOM 443 CA THR A 234 1.418 2.791 5.788 1.00 0.16 C ATOM 444 C THR A 234 2.496 1.727 5.901 1.00 0.16 C ATOM 445 O THR A 234 2.202 0.537 6.044 1.00 0.22 O ATOM 446 CB THR A 234 0.965 3.203 7.201 1.00 0.22 C ATOM 447 OG1 THR A 234 -0.199 4.042 7.124 1.00 0.33 O ATOM 448 CG2 THR A 234 2.079 3.939 7.931 1.00 0.24 C ATOM 0 H THR A 234 -0.461 1.919 5.539 1.00 0.14 H new ATOM 0 HA THR A 234 1.820 3.668 5.280 1.00 0.16 H new ATOM 0 HB THR A 234 0.720 2.298 7.757 1.00 0.22 H new ATOM 0 HG1 THR A 234 -0.479 4.296 8.028 1.00 0.33 H new ATOM 0 HG21 THR A 234 1.737 4.221 8.927 1.00 0.24 H new ATOM 0 HG22 THR A 234 2.950 3.289 8.017 1.00 0.24 H new ATOM 0 HG23 THR A 234 2.349 4.836 7.373 1.00 0.24 H new ATOM 456 N VAL A 235 3.734 2.164 5.788 1.00 0.14 N ATOM 457 CA VAL A 235 4.894 1.300 5.872 1.00 0.14 C ATOM 458 C VAL A 235 6.070 2.121 6.368 1.00 0.14 C ATOM 459 O VAL A 235 6.170 3.302 6.062 1.00 0.16 O ATOM 460 CB VAL A 235 5.269 0.691 4.499 1.00 0.14 C ATOM 461 CG1 VAL A 235 4.161 -0.180 3.949 1.00 0.15 C ATOM 462 CG2 VAL A 235 5.573 1.793 3.520 1.00 0.14 C ATOM 0 H VAL A 235 3.966 3.145 5.633 1.00 0.14 H new ATOM 0 HA VAL A 235 4.656 0.482 6.552 1.00 0.14 H new ATOM 0 HB VAL A 235 6.149 0.065 4.644 1.00 0.14 H new ATOM 0 HG11 VAL A 235 4.464 -0.588 2.985 1.00 0.15 H new ATOM 0 HG12 VAL A 235 3.962 -0.997 4.643 1.00 0.15 H new ATOM 0 HG13 VAL A 235 3.258 0.417 3.823 1.00 0.15 H new ATOM 0 HG21 VAL A 235 5.836 1.360 2.555 1.00 0.14 H new ATOM 0 HG22 VAL A 235 4.696 2.430 3.405 1.00 0.14 H new ATOM 0 HG23 VAL A 235 6.407 2.389 3.890 1.00 0.14 H new ATOM 472 N GLU A 236 7.014 1.488 7.013 1.00 0.13 N ATOM 473 CA GLU A 236 8.247 2.156 7.345 1.00 0.13 C ATOM 474 C GLU A 236 9.223 1.865 6.226 1.00 0.13 C ATOM 475 O GLU A 236 9.561 0.714 6.002 1.00 0.17 O ATOM 476 CB GLU A 236 8.793 1.644 8.678 1.00 0.18 C ATOM 477 CG GLU A 236 9.907 2.498 9.256 1.00 0.29 C ATOM 478 CD GLU A 236 10.306 2.054 10.646 1.00 0.54 C ATOM 479 OE1 GLU A 236 9.434 1.997 11.537 1.00 1.05 O ATOM 480 OE2 GLU A 236 11.500 1.756 10.855 1.00 1.18 O ATOM 0 H GLU A 236 6.955 0.516 7.318 1.00 0.13 H new ATOM 0 HA GLU A 236 8.088 3.229 7.451 1.00 0.13 H new ATOM 0 HB2 GLU A 236 7.976 1.593 9.398 1.00 0.18 H new ATOM 0 HB3 GLU A 236 9.161 0.627 8.542 1.00 0.18 H new ATOM 0 HG2 GLU A 236 10.775 2.452 8.599 1.00 0.29 H new ATOM 0 HG3 GLU A 236 9.585 3.539 9.287 1.00 0.29 H new ATOM 487 N LEU A 237 9.526 2.860 5.410 1.00 0.13 N ATOM 488 CA LEU A 237 10.369 2.634 4.245 1.00 0.15 C ATOM 489 C LEU A 237 11.814 2.453 4.649 1.00 0.17 C ATOM 490 O LEU A 237 12.306 3.141 5.531 1.00 0.19 O ATOM 491 CB LEU A 237 10.276 3.789 3.246 1.00 0.17 C ATOM 492 CG LEU A 237 9.376 3.556 2.036 1.00 0.23 C ATOM 493 CD1 LEU A 237 9.436 4.752 1.105 1.00 0.44 C ATOM 494 CD2 LEU A 237 9.783 2.296 1.294 1.00 0.55 C ATOM 0 H LEU A 237 9.206 3.821 5.528 1.00 0.13 H new ATOM 0 HA LEU A 237 10.005 1.724 3.768 1.00 0.15 H new ATOM 0 HB2 LEU A 237 9.919 4.673 3.775 1.00 0.17 H new ATOM 0 HB3 LEU A 237 11.280 4.016 2.889 1.00 0.17 H new ATOM 0 HG LEU A 237 8.353 3.429 2.389 1.00 0.23 H new ATOM 0 HD11 LEU A 237 8.790 4.576 0.245 1.00 0.44 H new ATOM 0 HD12 LEU A 237 9.099 5.643 1.635 1.00 0.44 H new ATOM 0 HD13 LEU A 237 10.461 4.898 0.765 1.00 0.44 H new ATOM 0 HD21 LEU A 237 9.127 2.151 0.436 1.00 0.55 H new ATOM 0 HD22 LEU A 237 10.813 2.392 0.951 1.00 0.55 H new ATOM 0 HD23 LEU A 237 9.702 1.438 1.962 1.00 0.55 H new ATOM 506 N ALA A 238 12.510 1.618 3.903 1.00 0.19 N ATOM 507 CA ALA A 238 13.950 1.480 4.025 1.00 0.21 C ATOM 508 C ALA A 238 14.614 2.513 3.127 1.00 0.23 C ATOM 509 O ALA A 238 15.653 3.081 3.457 1.00 0.28 O ATOM 510 CB ALA A 238 14.374 0.077 3.638 1.00 0.25 C ATOM 0 H ALA A 238 12.094 1.015 3.194 1.00 0.19 H new ATOM 0 HA ALA A 238 14.256 1.648 5.057 1.00 0.21 H new ATOM 0 HB1 ALA A 238 15.456 -0.015 3.733 1.00 0.25 H new ATOM 0 HB2 ALA A 238 13.889 -0.644 4.296 1.00 0.25 H new ATOM 0 HB3 ALA A 238 14.082 -0.120 2.606 1.00 0.25 H new ATOM 516 N ASP A 239 13.924 2.823 2.034 1.00 0.22 N ATOM 517 CA ASP A 239 14.339 3.884 1.117 1.00 0.25 C ATOM 518 C ASP A 239 14.050 5.250 1.720 1.00 0.25 C ATOM 519 O ASP A 239 14.706 6.237 1.395 1.00 0.34 O ATOM 520 CB ASP A 239 13.623 3.755 -0.223 1.00 0.31 C ATOM 521 CG ASP A 239 14.448 2.986 -1.239 1.00 0.63 C ATOM 522 OD1 ASP A 239 14.746 1.799 -0.990 1.00 1.19 O ATOM 523 OD2 ASP A 239 14.772 3.547 -2.305 1.00 1.28 O ATOM 0 H ASP A 239 13.064 2.349 1.758 1.00 0.22 H new ATOM 0 HA ASP A 239 15.412 3.784 0.952 1.00 0.25 H new ATOM 0 HB2 ASP A 239 12.668 3.251 -0.076 1.00 0.31 H new ATOM 0 HB3 ASP A 239 13.403 4.749 -0.613 1.00 0.31 H new ATOM 528 N HIS A 240 13.058 5.274 2.608 1.00 0.27 N ATOM 529 CA HIS A 240 12.650 6.471 3.353 1.00 0.39 C ATOM 530 C HIS A 240 11.858 7.447 2.493 1.00 0.47 C ATOM 531 O HIS A 240 10.735 7.801 2.840 1.00 0.70 O ATOM 532 CB HIS A 240 13.854 7.170 4.001 1.00 0.46 C ATOM 533 CG HIS A 240 14.561 6.307 4.998 1.00 0.46 C ATOM 534 ND1 HIS A 240 14.374 5.006 5.320 1.00 0.56 N flip ATOM 535 CD2 HIS A 240 15.601 6.746 5.782 1.00 0.40 C flip ATOM 536 CE1 HIS A 240 15.299 4.684 6.280 1.00 0.57 C flip ATOM 537 NE2 HIS A 240 16.027 5.753 6.540 1.00 0.48 N flip ATOM 0 H HIS A 240 12.503 4.449 2.836 1.00 0.27 H new ATOM 0 HA HIS A 240 11.988 6.128 4.148 1.00 0.39 H new ATOM 0 HB2 HIS A 240 14.557 7.468 3.223 1.00 0.46 H new ATOM 0 HB3 HIS A 240 13.517 8.083 4.492 1.00 0.46 H new ATOM 0 HD1 HIS A 240 13.674 4.380 4.922 1.00 0.56 H new ATOM 0 HD2 HIS A 240 16.006 7.747 5.778 1.00 0.40 H new ATOM 0 HE1 HIS A 240 15.413 3.716 6.746 1.00 0.57 H new ATOM 546 N ASP A 241 12.394 7.823 1.345 1.00 0.41 N ATOM 547 CA ASP A 241 11.674 8.721 0.450 1.00 0.51 C ATOM 548 C ASP A 241 11.947 8.370 -0.999 1.00 0.44 C ATOM 549 O ASP A 241 12.402 9.195 -1.787 1.00 0.78 O ATOM 550 CB ASP A 241 12.028 10.184 0.726 1.00 0.80 C ATOM 551 CG ASP A 241 10.954 11.144 0.237 1.00 1.53 C ATOM 552 OD1 ASP A 241 10.742 11.222 -0.993 1.00 2.22 O ATOM 553 OD2 ASP A 241 10.316 11.827 1.070 1.00 2.08 O ATOM 0 H ASP A 241 13.311 7.528 1.011 1.00 0.41 H new ATOM 0 HA ASP A 241 10.608 8.593 0.640 1.00 0.51 H new ATOM 0 HB2 ASP A 241 12.175 10.323 1.797 1.00 0.80 H new ATOM 0 HB3 ASP A 241 12.974 10.424 0.240 1.00 0.80 H new ATOM 558 N ALA A 242 11.582 7.160 -1.357 1.00 0.33 N ATOM 559 CA ALA A 242 11.637 6.728 -2.737 1.00 0.30 C ATOM 560 C ALA A 242 10.232 6.534 -3.252 1.00 0.24 C ATOM 561 O ALA A 242 9.298 6.371 -2.462 1.00 0.28 O ATOM 562 CB ALA A 242 12.420 5.442 -2.875 1.00 0.38 C ATOM 0 H ALA A 242 11.241 6.452 -0.707 1.00 0.33 H new ATOM 0 HA ALA A 242 12.145 7.494 -3.323 1.00 0.30 H new ATOM 0 HB1 ALA A 242 12.445 5.142 -3.922 1.00 0.38 H new ATOM 0 HB2 ALA A 242 13.438 5.596 -2.518 1.00 0.38 H new ATOM 0 HB3 ALA A 242 11.943 4.660 -2.284 1.00 0.38 H new ATOM 568 N GLU A 243 10.086 6.515 -4.562 1.00 0.26 N ATOM 569 CA GLU A 243 8.793 6.288 -5.167 1.00 0.30 C ATOM 570 C GLU A 243 8.381 4.853 -4.911 1.00 0.25 C ATOM 571 O GLU A 243 9.070 3.914 -5.317 1.00 0.25 O ATOM 572 CB GLU A 243 8.844 6.550 -6.677 1.00 0.39 C ATOM 573 CG GLU A 243 9.448 7.896 -7.057 1.00 0.67 C ATOM 574 CD GLU A 243 10.965 7.909 -7.023 1.00 1.10 C ATOM 575 OE1 GLU A 243 11.565 6.842 -6.783 1.00 1.64 O ATOM 576 OE2 GLU A 243 11.563 8.989 -7.228 1.00 1.56 O ATOM 0 H GLU A 243 10.848 6.654 -5.226 1.00 0.26 H new ATOM 0 HA GLU A 243 8.068 6.973 -4.728 1.00 0.30 H new ATOM 0 HB2 GLU A 243 9.422 5.758 -7.153 1.00 0.39 H new ATOM 0 HB3 GLU A 243 7.832 6.492 -7.079 1.00 0.39 H new ATOM 0 HG2 GLU A 243 9.112 8.166 -8.058 1.00 0.67 H new ATOM 0 HG3 GLU A 243 9.071 8.660 -6.377 1.00 0.67 H new ATOM 583 N VAL A 244 7.275 4.681 -4.214 1.00 0.24 N ATOM 584 CA VAL A 244 6.790 3.354 -3.909 1.00 0.21 C ATOM 585 C VAL A 244 5.658 2.985 -4.840 1.00 0.20 C ATOM 586 O VAL A 244 4.631 3.658 -4.893 1.00 0.23 O ATOM 587 CB VAL A 244 6.334 3.216 -2.432 1.00 0.22 C ATOM 588 CG1 VAL A 244 7.534 3.344 -1.500 1.00 0.24 C ATOM 589 CG2 VAL A 244 5.249 4.243 -2.074 1.00 0.27 C ATOM 0 H VAL A 244 6.699 5.441 -3.851 1.00 0.24 H new ATOM 0 HA VAL A 244 7.622 2.666 -4.056 1.00 0.21 H new ATOM 0 HB VAL A 244 5.894 2.227 -2.306 1.00 0.22 H new ATOM 0 HG11 VAL A 244 7.204 3.246 -0.466 1.00 0.24 H new ATOM 0 HG12 VAL A 244 8.256 2.559 -1.726 1.00 0.24 H new ATOM 0 HG13 VAL A 244 8.002 4.319 -1.641 1.00 0.24 H new ATOM 0 HG21 VAL A 244 4.956 4.114 -1.032 1.00 0.27 H new ATOM 0 HG22 VAL A 244 5.639 5.250 -2.220 1.00 0.27 H new ATOM 0 HG23 VAL A 244 4.381 4.094 -2.716 1.00 0.27 H new ATOM 599 N LYS A 245 5.817 1.866 -5.504 1.00 0.18 N ATOM 600 CA LYS A 245 4.752 1.326 -6.304 1.00 0.19 C ATOM 601 C LYS A 245 4.161 0.163 -5.547 1.00 0.15 C ATOM 602 O LYS A 245 4.754 -0.315 -4.587 1.00 0.16 O ATOM 603 CB LYS A 245 5.260 0.919 -7.688 1.00 0.30 C ATOM 604 CG LYS A 245 5.548 2.110 -8.591 1.00 0.89 C ATOM 605 CD LYS A 245 5.963 1.683 -9.991 1.00 1.51 C ATOM 606 CE LYS A 245 7.382 1.137 -10.020 1.00 2.00 C ATOM 607 NZ LYS A 245 8.385 2.168 -9.644 1.00 2.79 N ATOM 0 H LYS A 245 6.675 1.314 -5.504 1.00 0.18 H new ATOM 0 HA LYS A 245 3.980 2.076 -6.478 1.00 0.19 H new ATOM 0 HB2 LYS A 245 6.169 0.327 -7.576 1.00 0.30 H new ATOM 0 HB3 LYS A 245 4.519 0.278 -8.167 1.00 0.30 H new ATOM 0 HG2 LYS A 245 4.660 2.740 -8.653 1.00 0.89 H new ATOM 0 HG3 LYS A 245 6.338 2.716 -8.149 1.00 0.89 H new ATOM 0 HD2 LYS A 245 5.274 0.922 -10.358 1.00 1.51 H new ATOM 0 HD3 LYS A 245 5.888 2.534 -10.668 1.00 1.51 H new ATOM 0 HE2 LYS A 245 7.459 0.291 -9.337 1.00 2.00 H new ATOM 0 HE3 LYS A 245 7.605 0.762 -11.019 1.00 2.00 H new ATOM 0 HZ1 LYS A 245 9.323 1.883 -9.991 1.00 2.79 H new ATOM 0 HZ2 LYS A 245 8.121 3.080 -10.068 1.00 2.79 H new ATOM 0 HZ3 LYS A 245 8.414 2.263 -8.609 1.00 2.79 H new ATOM 621 N TRP A 246 2.915 -0.123 -5.762 1.00 0.14 N ATOM 622 CA TRP A 246 2.268 -1.106 -4.923 1.00 0.13 C ATOM 623 C TRP A 246 1.577 -2.121 -5.798 1.00 0.14 C ATOM 624 O TRP A 246 1.735 -2.109 -7.007 1.00 0.14 O ATOM 625 CB TRP A 246 1.325 -0.474 -3.887 1.00 0.14 C ATOM 626 CG TRP A 246 1.983 0.552 -2.984 1.00 0.12 C ATOM 627 CD1 TRP A 246 2.497 1.756 -3.374 1.00 0.14 C ATOM 628 CD2 TRP A 246 2.200 0.485 -1.554 1.00 0.11 C ATOM 629 NE1 TRP A 246 3.021 2.423 -2.299 1.00 0.15 N ATOM 630 CE2 TRP A 246 2.855 1.675 -1.178 1.00 0.12 C ATOM 631 CE3 TRP A 246 1.915 -0.450 -0.552 1.00 0.13 C ATOM 632 CZ2 TRP A 246 3.228 1.953 0.137 1.00 0.14 C ATOM 633 CZ3 TRP A 246 2.293 -0.158 0.758 1.00 0.15 C ATOM 634 CH2 TRP A 246 2.937 1.032 1.079 1.00 0.15 C ATOM 0 H TRP A 246 2.331 0.292 -6.488 1.00 0.14 H new ATOM 0 HA TRP A 246 3.028 -1.615 -4.330 1.00 0.13 H new ATOM 0 HB2 TRP A 246 0.495 0.000 -4.411 1.00 0.14 H new ATOM 0 HB3 TRP A 246 0.901 -1.266 -3.269 1.00 0.14 H new ATOM 0 HD1 TRP A 246 2.491 2.129 -4.387 1.00 0.14 H new ATOM 0 HE1 TRP A 246 3.467 3.340 -2.335 1.00 0.15 H new ATOM 0 HE3 TRP A 246 1.414 -1.377 -0.788 1.00 0.13 H new ATOM 0 HZ2 TRP A 246 3.732 2.873 0.392 1.00 0.14 H new ATOM 0 HZ3 TRP A 246 2.081 -0.872 1.540 1.00 0.15 H new ATOM 0 HH2 TRP A 246 3.211 1.223 2.106 1.00 0.15 H new ATOM 645 N LEU A 247 1.128 -3.173 -5.207 1.00 0.15 N ATOM 646 CA LEU A 247 0.650 -4.290 -5.982 1.00 0.14 C ATOM 647 C LEU A 247 -0.774 -4.616 -5.555 1.00 0.15 C ATOM 648 O LEU A 247 -1.055 -4.669 -4.379 1.00 0.16 O ATOM 649 CB LEU A 247 1.588 -5.482 -5.741 1.00 0.15 C ATOM 650 CG LEU A 247 2.476 -5.962 -6.895 1.00 0.16 C ATOM 651 CD1 LEU A 247 1.797 -7.079 -7.661 1.00 0.21 C ATOM 652 CD2 LEU A 247 2.853 -4.821 -7.821 1.00 0.17 C ATOM 0 H LEU A 247 1.077 -3.294 -4.196 1.00 0.15 H new ATOM 0 HA LEU A 247 0.643 -4.055 -7.046 1.00 0.14 H new ATOM 0 HB2 LEU A 247 2.240 -5.227 -4.906 1.00 0.15 H new ATOM 0 HB3 LEU A 247 0.976 -6.325 -5.421 1.00 0.15 H new ATOM 0 HG LEU A 247 3.399 -6.351 -6.465 1.00 0.16 H new ATOM 0 HD11 LEU A 247 2.443 -7.406 -8.476 1.00 0.21 H new ATOM 0 HD12 LEU A 247 1.607 -7.917 -6.990 1.00 0.21 H new ATOM 0 HD13 LEU A 247 0.853 -6.719 -8.069 1.00 0.21 H new ATOM 0 HD21 LEU A 247 3.482 -5.199 -8.627 1.00 0.17 H new ATOM 0 HD22 LEU A 247 1.949 -4.381 -8.243 1.00 0.17 H new ATOM 0 HD23 LEU A 247 3.399 -4.062 -7.260 1.00 0.17 H new ATOM 664 N LYS A 248 -1.617 -4.995 -6.479 1.00 0.19 N ATOM 665 CA LYS A 248 -2.879 -5.604 -6.105 1.00 0.25 C ATOM 666 C LYS A 248 -2.688 -7.089 -6.317 1.00 0.25 C ATOM 667 O LYS A 248 -1.775 -7.444 -7.056 1.00 0.21 O ATOM 668 CB LYS A 248 -4.040 -5.082 -6.955 1.00 0.34 C ATOM 669 CG LYS A 248 -5.381 -5.712 -6.613 1.00 0.77 C ATOM 670 CD LYS A 248 -6.524 -5.030 -7.350 1.00 0.95 C ATOM 671 CE LYS A 248 -6.414 -5.209 -8.856 1.00 1.57 C ATOM 672 NZ LYS A 248 -7.397 -4.369 -9.586 1.00 2.06 N ATOM 0 H LYS A 248 -1.463 -4.898 -7.483 1.00 0.19 H new ATOM 0 HA LYS A 248 -3.137 -5.365 -5.073 1.00 0.25 H new ATOM 0 HB2 LYS A 248 -4.114 -4.002 -6.829 1.00 0.34 H new ATOM 0 HB3 LYS A 248 -3.820 -5.266 -8.007 1.00 0.34 H new ATOM 0 HG2 LYS A 248 -5.362 -6.771 -6.870 1.00 0.77 H new ATOM 0 HG3 LYS A 248 -5.550 -5.648 -5.538 1.00 0.77 H new ATOM 0 HD2 LYS A 248 -7.474 -5.438 -7.004 1.00 0.95 H new ATOM 0 HD3 LYS A 248 -6.528 -3.967 -7.110 1.00 0.95 H new ATOM 0 HE2 LYS A 248 -5.405 -4.952 -9.180 1.00 1.57 H new ATOM 0 HE3 LYS A 248 -6.573 -6.257 -9.110 1.00 1.57 H new ATOM 0 HZ1 LYS A 248 -7.290 -4.520 -10.609 1.00 2.06 H new ATOM 0 HZ2 LYS A 248 -8.361 -4.631 -9.296 1.00 2.06 H new ATOM 0 HZ3 LYS A 248 -7.230 -3.367 -9.364 1.00 2.06 H new ATOM 686 N ASN A 249 -3.327 -7.940 -5.520 1.00 0.34 N ATOM 687 CA ASN A 249 -3.015 -9.372 -5.580 1.00 0.40 C ATOM 688 C ASN A 249 -2.903 -9.848 -7.029 1.00 0.35 C ATOM 689 O ASN A 249 -3.856 -9.774 -7.799 1.00 0.35 O ATOM 690 CB ASN A 249 -4.019 -10.235 -4.792 1.00 0.61 C ATOM 691 CG ASN A 249 -5.487 -9.971 -5.096 1.00 0.75 C ATOM 692 OD1 ASN A 249 -6.282 -9.855 -4.049 1.00 1.38 O flip ATOM 693 ND2 ASN A 249 -5.914 -9.904 -6.244 1.00 1.19 N flip ATOM 0 H ASN A 249 -4.044 -7.679 -4.843 1.00 0.34 H new ATOM 0 HA ASN A 249 -2.047 -9.500 -5.096 1.00 0.40 H new ATOM 0 HB2 ASN A 249 -3.807 -11.285 -4.994 1.00 0.61 H new ATOM 0 HB3 ASN A 249 -3.852 -10.075 -3.727 1.00 0.61 H new ATOM 0 HD21 ASN A 249 -5.274 -9.998 -7.033 1.00 1.19 H new ATOM 0 HD22 ASN A 249 -6.909 -9.755 -6.410 1.00 1.19 H new ATOM 700 N GLY A 250 -1.666 -10.115 -7.438 1.00 0.35 N ATOM 701 CA GLY A 250 -1.377 -10.427 -8.824 1.00 0.35 C ATOM 702 C GLY A 250 -1.145 -9.198 -9.704 1.00 0.33 C ATOM 703 O GLY A 250 -0.187 -9.170 -10.479 1.00 0.39 O ATOM 0 H GLY A 250 -0.851 -10.120 -6.825 1.00 0.35 H new ATOM 0 HA2 GLY A 250 -0.493 -11.063 -8.866 1.00 0.35 H new ATOM 0 HA3 GLY A 250 -2.205 -11.005 -9.236 1.00 0.35 H new ATOM 707 N GLN A 251 -2.032 -8.208 -9.633 1.00 0.30 N ATOM 708 CA GLN A 251 -1.929 -7.026 -10.496 1.00 0.36 C ATOM 709 C GLN A 251 -0.848 -6.069 -10.002 1.00 0.25 C ATOM 710 O GLN A 251 -0.812 -5.710 -8.831 1.00 0.28 O ATOM 711 CB GLN A 251 -3.272 -6.292 -10.574 1.00 0.52 C ATOM 712 CG GLN A 251 -4.182 -6.754 -11.709 1.00 1.28 C ATOM 713 CD GLN A 251 -4.659 -8.188 -11.562 1.00 2.00 C ATOM 714 OE1 GLN A 251 -3.877 -9.134 -11.655 1.00 2.77 O ATOM 715 NE2 GLN A 251 -5.950 -8.360 -11.336 1.00 2.59 N ATOM 0 H GLN A 251 -2.826 -8.197 -8.993 1.00 0.30 H new ATOM 0 HA GLN A 251 -1.654 -7.373 -11.492 1.00 0.36 H new ATOM 0 HB2 GLN A 251 -3.798 -6.422 -9.628 1.00 0.52 H new ATOM 0 HB3 GLN A 251 -3.082 -5.225 -10.689 1.00 0.52 H new ATOM 0 HG2 GLN A 251 -5.049 -6.095 -11.759 1.00 1.28 H new ATOM 0 HG3 GLN A 251 -3.649 -6.652 -12.655 1.00 1.28 H new ATOM 0 HE21 GLN A 251 -6.568 -7.551 -11.265 1.00 2.59 H new ATOM 0 HE22 GLN A 251 -6.329 -9.301 -11.232 1.00 2.59 H new ATOM 724 N GLU A 252 0.010 -5.621 -10.902 1.00 0.26 N ATOM 725 CA GLU A 252 1.076 -4.713 -10.519 1.00 0.25 C ATOM 726 C GLU A 252 0.638 -3.258 -10.635 1.00 0.27 C ATOM 727 O GLU A 252 -0.037 -2.868 -11.590 1.00 0.32 O ATOM 728 CB GLU A 252 2.337 -4.999 -11.326 1.00 0.32 C ATOM 729 CG GLU A 252 2.854 -6.412 -11.092 1.00 0.60 C ATOM 730 CD GLU A 252 4.264 -6.614 -11.593 1.00 1.05 C ATOM 731 OE1 GLU A 252 4.511 -6.384 -12.796 1.00 1.49 O ATOM 732 OE2 GLU A 252 5.136 -7.016 -10.790 1.00 1.60 O ATOM 0 H GLU A 252 -0.009 -5.868 -11.892 1.00 0.26 H new ATOM 0 HA GLU A 252 1.311 -4.884 -9.468 1.00 0.25 H new ATOM 0 HB2 GLU A 252 2.128 -4.860 -12.387 1.00 0.32 H new ATOM 0 HB3 GLU A 252 3.111 -4.280 -11.057 1.00 0.32 H new ATOM 0 HG2 GLU A 252 2.818 -6.634 -10.026 1.00 0.60 H new ATOM 0 HG3 GLU A 252 2.193 -7.122 -11.588 1.00 0.60 H new ATOM 739 N ILE A 253 0.833 -2.538 -9.540 1.00 0.23 N ATOM 740 CA ILE A 253 0.291 -1.203 -9.370 1.00 0.27 C ATOM 741 C ILE A 253 1.397 -0.132 -9.285 1.00 0.28 C ATOM 742 O ILE A 253 2.385 -0.274 -8.552 1.00 0.28 O ATOM 743 CB ILE A 253 -0.575 -1.200 -8.095 1.00 0.26 C ATOM 744 CG1 ILE A 253 -1.981 -1.728 -8.362 1.00 0.31 C ATOM 745 CG2 ILE A 253 -0.622 0.154 -7.453 1.00 0.28 C ATOM 746 CD1 ILE A 253 -2.764 -1.968 -7.087 1.00 0.33 C ATOM 0 H ILE A 253 1.375 -2.868 -8.741 1.00 0.23 H new ATOM 0 HA ILE A 253 -0.312 -0.948 -10.242 1.00 0.27 H new ATOM 0 HB ILE A 253 -0.095 -1.880 -7.391 1.00 0.26 H new ATOM 0 HG12 ILE A 253 -2.520 -1.016 -8.987 1.00 0.31 H new ATOM 0 HG13 ILE A 253 -1.915 -2.659 -8.924 1.00 0.31 H new ATOM 0 HG21 ILE A 253 -1.243 0.111 -6.558 1.00 0.28 H new ATOM 0 HG22 ILE A 253 0.387 0.462 -7.180 1.00 0.28 H new ATOM 0 HG23 ILE A 253 -1.045 0.874 -8.153 1.00 0.28 H new ATOM 0 HD11 ILE A 253 -3.757 -2.343 -7.335 1.00 0.33 H new ATOM 0 HD12 ILE A 253 -2.242 -2.701 -6.472 1.00 0.33 H new ATOM 0 HD13 ILE A 253 -2.857 -1.032 -6.536 1.00 0.33 H new ATOM 758 N GLN A 254 1.207 0.960 -10.001 1.00 0.36 N ATOM 759 CA GLN A 254 2.150 2.066 -9.966 1.00 0.43 C ATOM 760 C GLN A 254 1.724 3.105 -8.925 1.00 0.61 C ATOM 761 O GLN A 254 1.346 2.753 -7.809 1.00 1.42 O ATOM 762 CB GLN A 254 2.263 2.689 -11.359 1.00 0.70 C ATOM 763 CG GLN A 254 2.783 1.717 -12.406 1.00 1.00 C ATOM 764 CD GLN A 254 2.548 2.198 -13.820 1.00 1.75 C ATOM 765 OE1 GLN A 254 3.017 3.265 -14.215 1.00 2.63 O ATOM 766 NE2 GLN A 254 1.820 1.412 -14.593 1.00 2.21 N ATOM 0 H GLN A 254 0.407 1.107 -10.616 1.00 0.36 H new ATOM 0 HA GLN A 254 3.131 1.692 -9.673 1.00 0.43 H new ATOM 0 HB2 GLN A 254 1.284 3.056 -11.667 1.00 0.70 H new ATOM 0 HB3 GLN A 254 2.927 3.552 -11.312 1.00 0.70 H new ATOM 0 HG2 GLN A 254 3.851 1.562 -12.253 1.00 1.00 H new ATOM 0 HG3 GLN A 254 2.298 0.750 -12.271 1.00 1.00 H new ATOM 0 HE21 GLN A 254 1.450 0.535 -14.225 1.00 2.21 H new ATOM 0 HE22 GLN A 254 1.628 1.682 -15.558 1.00 2.21 H new ATOM 775 N MET A 255 1.722 4.371 -9.315 1.00 0.59 N ATOM 776 CA MET A 255 1.273 5.451 -8.441 1.00 0.61 C ATOM 777 C MET A 255 0.201 6.262 -9.153 1.00 0.65 C ATOM 778 O MET A 255 0.134 6.248 -10.385 1.00 0.95 O ATOM 779 CB MET A 255 2.444 6.352 -8.037 1.00 0.95 C ATOM 780 CG MET A 255 3.500 5.646 -7.196 1.00 1.58 C ATOM 781 SD MET A 255 4.821 6.751 -6.653 1.00 2.30 S ATOM 782 CE MET A 255 5.484 7.293 -8.224 1.00 2.61 C ATOM 0 H MET A 255 2.028 4.680 -10.238 1.00 0.59 H new ATOM 0 HA MET A 255 0.857 5.018 -7.531 1.00 0.61 H new ATOM 0 HB2 MET A 255 2.914 6.747 -8.938 1.00 0.95 H new ATOM 0 HB3 MET A 255 2.058 7.205 -7.479 1.00 0.95 H new ATOM 0 HG2 MET A 255 3.024 5.201 -6.322 1.00 1.58 H new ATOM 0 HG3 MET A 255 3.931 4.829 -7.775 1.00 1.58 H new ATOM 0 HE1 MET A 255 6.395 7.867 -8.056 1.00 2.61 H new ATOM 0 HE2 MET A 255 5.712 6.424 -8.842 1.00 2.61 H new ATOM 0 HE3 MET A 255 4.750 7.918 -8.733 1.00 2.61 H new ATOM 792 N SER A 256 -0.723 6.840 -8.398 1.00 0.57 N ATOM 793 CA SER A 256 -1.873 7.494 -8.999 1.00 0.69 C ATOM 794 C SER A 256 -2.318 8.738 -8.221 1.00 1.00 C ATOM 795 O SER A 256 -1.561 9.281 -7.413 1.00 1.47 O ATOM 796 CB SER A 256 -3.015 6.478 -9.107 1.00 0.76 C ATOM 797 OG SER A 256 -2.637 5.370 -9.911 1.00 1.64 O ATOM 0 H SER A 256 -0.699 6.869 -7.379 1.00 0.57 H new ATOM 0 HA SER A 256 -1.588 7.846 -9.991 1.00 0.69 H new ATOM 0 HB2 SER A 256 -3.293 6.131 -8.112 1.00 0.76 H new ATOM 0 HB3 SER A 256 -3.895 6.959 -9.535 1.00 0.76 H new ATOM 0 HG SER A 256 -3.381 4.735 -9.964 1.00 1.64 H new ATOM 803 N GLY A 257 -3.519 9.226 -8.538 1.00 1.01 N ATOM 804 CA GLY A 257 -4.023 10.446 -7.929 1.00 1.41 C ATOM 805 C GLY A 257 -5.483 10.335 -7.534 1.00 1.28 C ATOM 806 O GLY A 257 -5.869 10.743 -6.439 1.00 1.69 O ATOM 0 H GLY A 257 -4.153 8.794 -9.210 1.00 1.01 H new ATOM 0 HA2 GLY A 257 -3.428 10.681 -7.047 1.00 1.41 H new ATOM 0 HA3 GLY A 257 -3.900 11.275 -8.627 1.00 1.41 H new ATOM 810 N SER A 258 -6.288 9.718 -8.394 1.00 1.07 N ATOM 811 CA SER A 258 -7.680 9.436 -8.064 1.00 0.96 C ATOM 812 C SER A 258 -7.723 8.322 -7.027 1.00 0.74 C ATOM 813 O SER A 258 -8.452 8.389 -6.039 1.00 1.14 O ATOM 814 CB SER A 258 -8.452 9.026 -9.319 1.00 1.08 C ATOM 815 OG SER A 258 -8.303 9.992 -10.352 1.00 1.77 O ATOM 0 H SER A 258 -6.001 9.405 -9.321 1.00 1.07 H new ATOM 0 HA SER A 258 -8.149 10.332 -7.657 1.00 0.96 H new ATOM 0 HB2 SER A 258 -8.095 8.057 -9.669 1.00 1.08 H new ATOM 0 HB3 SER A 258 -9.508 8.908 -9.077 1.00 1.08 H new ATOM 0 HG SER A 258 -8.805 9.705 -11.143 1.00 1.77 H new ATOM 821 N LYS A 259 -6.781 7.406 -7.176 1.00 0.51 N ATOM 822 CA LYS A 259 -6.523 6.376 -6.189 1.00 0.37 C ATOM 823 C LYS A 259 -5.025 6.338 -5.958 1.00 0.33 C ATOM 824 O LYS A 259 -4.322 7.138 -6.562 1.00 0.45 O ATOM 825 CB LYS A 259 -7.018 5.021 -6.696 1.00 0.48 C ATOM 826 CG LYS A 259 -6.251 4.505 -7.906 1.00 1.11 C ATOM 827 CD LYS A 259 -6.791 3.168 -8.385 1.00 1.59 C ATOM 828 CE LYS A 259 -8.215 3.294 -8.898 1.00 2.02 C ATOM 829 NZ LYS A 259 -8.762 1.989 -9.344 1.00 2.41 N ATOM 0 H LYS A 259 -6.171 7.357 -7.992 1.00 0.51 H new ATOM 0 HA LYS A 259 -7.049 6.593 -5.259 1.00 0.37 H new ATOM 0 HB2 LYS A 259 -6.942 4.291 -5.890 1.00 0.48 H new ATOM 0 HB3 LYS A 259 -8.074 5.103 -6.954 1.00 0.48 H new ATOM 0 HG2 LYS A 259 -6.314 5.234 -8.714 1.00 1.11 H new ATOM 0 HG3 LYS A 259 -5.196 4.401 -7.651 1.00 1.11 H new ATOM 0 HD2 LYS A 259 -6.151 2.779 -9.177 1.00 1.59 H new ATOM 0 HD3 LYS A 259 -6.760 2.448 -7.567 1.00 1.59 H new ATOM 0 HE2 LYS A 259 -8.849 3.703 -8.111 1.00 2.02 H new ATOM 0 HE3 LYS A 259 -8.240 4.000 -9.728 1.00 2.02 H new ATOM 0 HZ1 LYS A 259 -9.735 2.119 -9.686 1.00 2.41 H new ATOM 0 HZ2 LYS A 259 -8.172 1.610 -10.112 1.00 2.41 H new ATOM 0 HZ3 LYS A 259 -8.762 1.322 -8.546 1.00 2.41 H new ATOM 843 N TYR A 260 -4.535 5.339 -5.219 1.00 0.24 N ATOM 844 CA TYR A 260 -3.097 5.125 -5.061 1.00 0.27 C ATOM 845 C TYR A 260 -2.275 6.413 -4.992 1.00 0.27 C ATOM 846 O TYR A 260 -1.334 6.608 -5.761 1.00 0.29 O ATOM 847 CB TYR A 260 -2.588 4.219 -6.168 1.00 0.33 C ATOM 848 CG TYR A 260 -2.414 2.828 -5.660 1.00 0.43 C ATOM 849 CD1 TYR A 260 -3.469 1.930 -5.617 1.00 0.29 C ATOM 850 CD2 TYR A 260 -1.200 2.437 -5.157 1.00 0.84 C ATOM 851 CE1 TYR A 260 -3.302 0.672 -5.086 1.00 0.52 C ATOM 852 CE2 TYR A 260 -1.030 1.194 -4.616 1.00 1.11 C ATOM 853 CZ TYR A 260 -2.075 0.311 -4.581 1.00 0.95 C ATOM 854 OH TYR A 260 -1.884 -0.937 -4.039 1.00 1.24 O ATOM 0 H TYR A 260 -5.116 4.665 -4.720 1.00 0.24 H new ATOM 0 HA TYR A 260 -2.962 4.646 -4.092 1.00 0.27 H new ATOM 0 HB2 TYR A 260 -3.290 4.224 -7.002 1.00 0.33 H new ATOM 0 HB3 TYR A 260 -1.638 4.596 -6.548 1.00 0.33 H new ATOM 0 HD1 TYR A 260 -4.434 2.221 -6.005 1.00 0.29 H new ATOM 0 HD2 TYR A 260 -0.366 3.122 -5.189 1.00 0.84 H new ATOM 0 HE1 TYR A 260 -4.127 -0.025 -5.066 1.00 0.52 H new ATOM 0 HE2 TYR A 260 -0.069 0.908 -4.215 1.00 1.11 H new ATOM 0 HH TYR A 260 -2.649 -1.509 -4.257 1.00 1.24 H new ATOM 864 N ILE A 261 -2.607 7.248 -4.032 1.00 0.26 N ATOM 865 CA ILE A 261 -1.902 8.496 -3.814 1.00 0.27 C ATOM 866 C ILE A 261 -0.649 8.253 -2.968 1.00 0.28 C ATOM 867 O ILE A 261 -0.721 7.619 -1.925 1.00 0.35 O ATOM 868 CB ILE A 261 -2.827 9.480 -3.070 1.00 0.29 C ATOM 869 CG1 ILE A 261 -4.045 9.826 -3.930 1.00 0.32 C ATOM 870 CG2 ILE A 261 -2.075 10.729 -2.653 1.00 0.33 C ATOM 871 CD1 ILE A 261 -5.126 10.565 -3.172 1.00 0.39 C ATOM 0 H ILE A 261 -3.373 7.083 -3.379 1.00 0.26 H new ATOM 0 HA ILE A 261 -1.610 8.912 -4.778 1.00 0.27 H new ATOM 0 HB ILE A 261 -3.181 8.994 -2.161 1.00 0.29 H new ATOM 0 HG12 ILE A 261 -3.723 10.435 -4.775 1.00 0.32 H new ATOM 0 HG13 ILE A 261 -4.463 8.907 -4.341 1.00 0.32 H new ATOM 0 HG21 ILE A 261 -2.753 11.404 -2.131 1.00 0.33 H new ATOM 0 HG22 ILE A 261 -1.254 10.455 -1.991 1.00 0.33 H new ATOM 0 HG23 ILE A 261 -1.677 11.227 -3.537 1.00 0.33 H new ATOM 0 HD11 ILE A 261 -5.959 10.778 -3.842 1.00 0.39 H new ATOM 0 HD12 ILE A 261 -5.475 9.949 -2.343 1.00 0.39 H new ATOM 0 HD13 ILE A 261 -4.723 11.501 -2.784 1.00 0.39 H new ATOM 883 N PHE A 262 0.499 8.736 -3.409 1.00 0.30 N ATOM 884 CA PHE A 262 1.732 8.520 -2.659 1.00 0.32 C ATOM 885 C PHE A 262 1.919 9.572 -1.561 1.00 0.30 C ATOM 886 O PHE A 262 1.713 10.767 -1.787 1.00 0.37 O ATOM 887 CB PHE A 262 2.946 8.474 -3.604 1.00 0.46 C ATOM 888 CG PHE A 262 3.007 9.588 -4.617 1.00 0.63 C ATOM 889 CD1 PHE A 262 3.471 10.844 -4.269 1.00 0.87 C ATOM 890 CD2 PHE A 262 2.597 9.370 -5.925 1.00 0.84 C ATOM 891 CE1 PHE A 262 3.529 11.863 -5.200 1.00 1.13 C ATOM 892 CE2 PHE A 262 2.652 10.385 -6.861 1.00 1.09 C ATOM 893 CZ PHE A 262 3.118 11.632 -6.499 1.00 1.18 C ATOM 0 H PHE A 262 0.608 9.273 -4.269 1.00 0.30 H new ATOM 0 HA PHE A 262 1.653 7.552 -2.164 1.00 0.32 H new ATOM 0 HB2 PHE A 262 3.856 8.499 -3.004 1.00 0.46 H new ATOM 0 HB3 PHE A 262 2.939 7.521 -4.134 1.00 0.46 H new ATOM 0 HD1 PHE A 262 3.792 11.031 -3.255 1.00 0.87 H new ATOM 0 HD2 PHE A 262 2.231 8.396 -6.214 1.00 0.84 H new ATOM 0 HE1 PHE A 262 3.895 12.838 -4.913 1.00 1.13 H new ATOM 0 HE2 PHE A 262 2.330 10.202 -7.876 1.00 1.09 H new ATOM 0 HZ PHE A 262 3.162 12.426 -7.230 1.00 1.18 H new ATOM 903 N GLU A 263 2.268 9.114 -0.357 1.00 0.26 N ATOM 904 CA GLU A 263 2.479 10.011 0.779 1.00 0.30 C ATOM 905 C GLU A 263 3.697 9.559 1.590 1.00 0.28 C ATOM 906 O GLU A 263 3.845 8.375 1.895 1.00 0.33 O ATOM 907 CB GLU A 263 1.237 10.038 1.674 1.00 0.37 C ATOM 908 CG GLU A 263 1.307 11.063 2.797 1.00 0.56 C ATOM 909 CD GLU A 263 1.057 12.479 2.319 1.00 1.07 C ATOM 910 OE1 GLU A 263 1.772 12.931 1.404 1.00 1.79 O ATOM 911 OE2 GLU A 263 0.150 13.152 2.853 1.00 1.73 O ATOM 0 H GLU A 263 2.410 8.127 -0.144 1.00 0.26 H new ATOM 0 HA GLU A 263 2.660 11.016 0.398 1.00 0.30 H new ATOM 0 HB2 GLU A 263 0.362 10.248 1.058 1.00 0.37 H new ATOM 0 HB3 GLU A 263 1.092 9.048 2.107 1.00 0.37 H new ATOM 0 HG2 GLU A 263 0.573 10.808 3.561 1.00 0.56 H new ATOM 0 HG3 GLU A 263 2.289 11.012 3.268 1.00 0.56 H new ATOM 918 N SER A 264 4.605 10.485 1.863 1.00 0.34 N ATOM 919 CA SER A 264 5.834 10.178 2.585 1.00 0.36 C ATOM 920 C SER A 264 5.806 10.825 3.964 1.00 0.34 C ATOM 921 O SER A 264 5.650 12.041 4.075 1.00 0.39 O ATOM 922 CB SER A 264 7.037 10.696 1.782 1.00 0.46 C ATOM 923 OG SER A 264 8.271 10.424 2.427 1.00 1.41 O ATOM 0 H SER A 264 4.513 11.464 1.593 1.00 0.34 H new ATOM 0 HA SER A 264 5.921 9.099 2.710 1.00 0.36 H new ATOM 0 HB2 SER A 264 7.037 10.236 0.794 1.00 0.46 H new ATOM 0 HB3 SER A 264 6.936 11.771 1.633 1.00 0.46 H new ATOM 0 HG SER A 264 8.993 10.902 1.968 1.00 1.41 H new ATOM 929 N ILE A 265 5.924 10.021 5.016 1.00 0.31 N ATOM 930 CA ILE A 265 5.890 10.554 6.374 1.00 0.34 C ATOM 931 C ILE A 265 7.094 10.072 7.185 1.00 0.38 C ATOM 932 O ILE A 265 7.080 8.969 7.735 1.00 0.42 O ATOM 933 CB ILE A 265 4.589 10.163 7.112 1.00 0.42 C ATOM 934 CG1 ILE A 265 3.360 10.659 6.341 1.00 0.82 C ATOM 935 CG2 ILE A 265 4.581 10.728 8.530 1.00 0.73 C ATOM 936 CD1 ILE A 265 3.276 12.168 6.215 1.00 1.31 C ATOM 0 H ILE A 265 6.043 9.010 4.957 1.00 0.31 H new ATOM 0 HA ILE A 265 5.926 11.640 6.284 1.00 0.34 H new ATOM 0 HB ILE A 265 4.549 9.075 7.171 1.00 0.42 H new ATOM 0 HG12 ILE A 265 3.370 10.222 5.343 1.00 0.82 H new ATOM 0 HG13 ILE A 265 2.461 10.296 6.839 1.00 0.82 H new ATOM 0 HG21 ILE A 265 3.657 10.441 9.031 1.00 0.73 H new ATOM 0 HG22 ILE A 265 5.432 10.332 9.084 1.00 0.73 H new ATOM 0 HG23 ILE A 265 4.649 11.815 8.489 1.00 0.73 H new ATOM 0 HD11 ILE A 265 2.379 12.437 5.657 1.00 1.31 H new ATOM 0 HD12 ILE A 265 3.233 12.614 7.209 1.00 1.31 H new ATOM 0 HD13 ILE A 265 4.156 12.539 5.689 1.00 1.31 H new ATOM 948 N GLY A 266 8.115 10.924 7.284 1.00 0.48 N ATOM 949 CA GLY A 266 9.293 10.611 8.086 1.00 0.65 C ATOM 950 C GLY A 266 9.849 9.228 7.807 1.00 0.86 C ATOM 951 O GLY A 266 9.849 8.373 8.696 1.00 1.93 O ATOM 0 H GLY A 266 8.148 11.832 6.820 1.00 0.48 H new ATOM 0 HA2 GLY A 266 10.067 11.354 7.891 1.00 0.65 H new ATOM 0 HA3 GLY A 266 9.037 10.687 9.143 1.00 0.65 H new ATOM 955 N ALA A 267 10.166 8.975 6.536 1.00 0.48 N ATOM 956 CA ALA A 267 10.579 7.655 6.051 1.00 0.39 C ATOM 957 C ALA A 267 9.396 6.719 5.922 1.00 0.30 C ATOM 958 O ALA A 267 9.354 5.897 5.011 1.00 0.32 O ATOM 959 CB ALA A 267 11.631 7.008 6.924 1.00 0.44 C ATOM 0 H ALA A 267 10.143 9.687 5.806 1.00 0.48 H new ATOM 0 HA ALA A 267 11.018 7.829 5.068 1.00 0.39 H new ATOM 0 HB1 ALA A 267 11.896 6.034 6.513 1.00 0.44 H new ATOM 0 HB2 ALA A 267 12.518 7.641 6.955 1.00 0.44 H new ATOM 0 HB3 ALA A 267 11.239 6.882 7.933 1.00 0.44 H new ATOM 965 N LYS A 268 8.457 6.798 6.848 1.00 0.26 N ATOM 966 CA LYS A 268 7.309 5.931 6.783 1.00 0.25 C ATOM 967 C LYS A 268 6.452 6.314 5.596 1.00 0.29 C ATOM 968 O LYS A 268 5.852 7.394 5.541 1.00 0.47 O ATOM 969 CB LYS A 268 6.509 5.954 8.083 1.00 0.28 C ATOM 970 CG LYS A 268 7.239 5.291 9.237 1.00 0.30 C ATOM 971 CD LYS A 268 6.338 5.151 10.448 1.00 0.41 C ATOM 972 CE LYS A 268 7.070 4.519 11.618 1.00 1.20 C ATOM 973 NZ LYS A 268 6.182 4.354 12.800 1.00 2.00 N ATOM 0 H LYS A 268 8.470 7.443 7.638 1.00 0.26 H new ATOM 0 HA LYS A 268 7.654 4.906 6.651 1.00 0.25 H new ATOM 0 HB2 LYS A 268 6.284 6.987 8.347 1.00 0.28 H new ATOM 0 HB3 LYS A 268 5.555 5.451 7.926 1.00 0.28 H new ATOM 0 HG2 LYS A 268 7.594 4.308 8.929 1.00 0.30 H new ATOM 0 HG3 LYS A 268 8.118 5.879 9.501 1.00 0.30 H new ATOM 0 HD2 LYS A 268 5.964 6.132 10.739 1.00 0.41 H new ATOM 0 HD3 LYS A 268 5.471 4.543 10.189 1.00 0.41 H new ATOM 0 HE2 LYS A 268 7.462 3.547 11.319 1.00 1.20 H new ATOM 0 HE3 LYS A 268 7.925 5.138 11.889 1.00 1.20 H new ATOM 0 HZ1 LYS A 268 6.717 3.919 13.578 1.00 2.00 H new ATOM 0 HZ2 LYS A 268 5.828 5.284 13.101 1.00 2.00 H new ATOM 0 HZ3 LYS A 268 5.379 3.743 12.548 1.00 2.00 H new ATOM 987 N ARG A 269 6.473 5.447 4.612 1.00 0.16 N ATOM 988 CA ARG A 269 5.747 5.658 3.396 1.00 0.16 C ATOM 989 C ARG A 269 4.305 5.246 3.569 1.00 0.18 C ATOM 990 O ARG A 269 4.001 4.250 4.217 1.00 0.17 O ATOM 991 CB ARG A 269 6.380 4.882 2.246 1.00 0.20 C ATOM 992 CG ARG A 269 5.528 4.886 1.002 1.00 0.53 C ATOM 993 CD ARG A 269 5.374 6.296 0.445 1.00 0.79 C ATOM 994 NE ARG A 269 6.593 6.789 -0.199 1.00 0.69 N ATOM 995 CZ ARG A 269 6.701 8.002 -0.741 1.00 0.97 C ATOM 996 NH1 ARG A 269 5.681 8.844 -0.689 1.00 1.85 N ATOM 997 NH2 ARG A 269 7.825 8.370 -1.342 1.00 1.17 N ATOM 0 H ARG A 269 6.999 4.573 4.639 1.00 0.16 H new ATOM 0 HA ARG A 269 5.785 6.721 3.156 1.00 0.16 H new ATOM 0 HB2 ARG A 269 7.354 5.313 2.015 1.00 0.20 H new ATOM 0 HB3 ARG A 269 6.553 3.853 2.560 1.00 0.20 H new ATOM 0 HG2 ARG A 269 5.978 4.241 0.247 1.00 0.53 H new ATOM 0 HG3 ARG A 269 4.545 4.473 1.229 1.00 0.53 H new ATOM 0 HD2 ARG A 269 4.557 6.309 -0.276 1.00 0.79 H new ATOM 0 HD3 ARG A 269 5.097 6.973 1.253 1.00 0.79 H new ATOM 0 HE ARG A 269 7.403 6.171 -0.235 1.00 0.69 H new ATOM 0 HH11 ARG A 269 4.812 8.565 -0.234 1.00 1.85 H new ATOM 0 HH12 ARG A 269 5.764 9.772 -1.104 1.00 1.85 H new ATOM 0 HH21 ARG A 269 8.612 7.723 -1.391 1.00 1.17 H new ATOM 0 HH22 ARG A 269 7.902 9.299 -1.755 1.00 1.17 H new ATOM 1011 N THR A 270 3.418 6.010 2.987 1.00 0.18 N ATOM 1012 CA THR A 270 2.030 5.663 3.014 1.00 0.18 C ATOM 1013 C THR A 270 1.412 5.829 1.642 1.00 0.19 C ATOM 1014 O THR A 270 1.576 6.861 0.978 1.00 0.22 O ATOM 1015 CB THR A 270 1.264 6.520 4.033 1.00 0.20 C ATOM 1016 OG1 THR A 270 1.884 6.428 5.323 1.00 0.25 O ATOM 1017 CG2 THR A 270 -0.180 6.073 4.124 1.00 0.24 C ATOM 0 H THR A 270 3.636 6.874 2.491 1.00 0.18 H new ATOM 0 HA THR A 270 1.958 4.618 3.315 1.00 0.18 H new ATOM 0 HB THR A 270 1.290 7.557 3.698 1.00 0.20 H new ATOM 0 HG1 THR A 270 1.389 6.979 5.964 1.00 0.25 H new ATOM 0 HG21 THR A 270 -0.707 6.691 4.851 1.00 0.24 H new ATOM 0 HG22 THR A 270 -0.655 6.175 3.148 1.00 0.24 H new ATOM 0 HG23 THR A 270 -0.219 5.030 4.439 1.00 0.24 H new ATOM 1025 N LEU A 271 0.717 4.800 1.215 1.00 0.17 N ATOM 1026 CA LEU A 271 0.017 4.838 -0.042 1.00 0.17 C ATOM 1027 C LEU A 271 -1.446 5.174 0.224 1.00 0.16 C ATOM 1028 O LEU A 271 -2.222 4.314 0.621 1.00 0.17 O ATOM 1029 CB LEU A 271 0.169 3.485 -0.746 1.00 0.20 C ATOM 1030 CG LEU A 271 -0.420 3.372 -2.152 1.00 0.26 C ATOM 1031 CD1 LEU A 271 -1.911 3.086 -2.086 1.00 0.56 C ATOM 1032 CD2 LEU A 271 -0.133 4.638 -2.946 1.00 0.49 C ATOM 0 H LEU A 271 0.623 3.922 1.726 1.00 0.17 H new ATOM 0 HA LEU A 271 0.433 5.604 -0.696 1.00 0.17 H new ATOM 0 HB2 LEU A 271 1.232 3.248 -0.802 1.00 0.20 H new ATOM 0 HB3 LEU A 271 -0.295 2.722 -0.121 1.00 0.20 H new ATOM 0 HG LEU A 271 0.054 2.536 -2.666 1.00 0.26 H new ATOM 0 HD11 LEU A 271 -2.312 3.009 -3.097 1.00 0.56 H new ATOM 0 HD12 LEU A 271 -2.078 2.148 -1.557 1.00 0.56 H new ATOM 0 HD13 LEU A 271 -2.414 3.896 -1.557 1.00 0.56 H new ATOM 0 HD21 LEU A 271 -0.558 4.545 -3.946 1.00 0.49 H new ATOM 0 HD22 LEU A 271 -0.580 5.494 -2.440 1.00 0.49 H new ATOM 0 HD23 LEU A 271 0.945 4.783 -3.022 1.00 0.49 H new ATOM 1044 N THR A 272 -1.821 6.416 0.017 1.00 0.18 N ATOM 1045 CA THR A 272 -3.186 6.835 0.252 1.00 0.21 C ATOM 1046 C THR A 272 -4.089 6.343 -0.872 1.00 0.22 C ATOM 1047 O THR A 272 -4.143 6.930 -1.951 1.00 0.29 O ATOM 1048 CB THR A 272 -3.284 8.367 0.361 1.00 0.27 C ATOM 1049 OG1 THR A 272 -2.205 8.866 1.165 1.00 0.33 O ATOM 1050 CG2 THR A 272 -4.607 8.779 0.984 1.00 0.30 C ATOM 0 H THR A 272 -1.200 7.155 -0.314 1.00 0.18 H new ATOM 0 HA THR A 272 -3.513 6.399 1.196 1.00 0.21 H new ATOM 0 HB THR A 272 -3.222 8.787 -0.643 1.00 0.27 H new ATOM 0 HG1 THR A 272 -2.270 9.842 1.231 1.00 0.33 H new ATOM 0 HG21 THR A 272 -4.655 9.866 1.051 1.00 0.30 H new ATOM 0 HG22 THR A 272 -5.429 8.417 0.366 1.00 0.30 H new ATOM 0 HG23 THR A 272 -4.688 8.350 1.983 1.00 0.30 H new ATOM 1058 N ILE A 273 -4.818 5.280 -0.608 1.00 0.23 N ATOM 1059 CA ILE A 273 -5.741 4.751 -1.586 1.00 0.26 C ATOM 1060 C ILE A 273 -7.104 5.409 -1.407 1.00 0.28 C ATOM 1061 O ILE A 273 -7.736 5.322 -0.346 1.00 0.27 O ATOM 1062 CB ILE A 273 -5.814 3.191 -1.531 1.00 0.31 C ATOM 1063 CG1 ILE A 273 -5.375 2.592 -2.866 1.00 0.41 C ATOM 1064 CG2 ILE A 273 -7.202 2.672 -1.177 1.00 0.32 C ATOM 1065 CD1 ILE A 273 -6.334 2.873 -4.004 1.00 0.86 C ATOM 0 H ILE A 273 -4.789 4.767 0.273 1.00 0.23 H new ATOM 0 HA ILE A 273 -5.377 4.992 -2.585 1.00 0.26 H new ATOM 0 HB ILE A 273 -5.136 2.879 -0.736 1.00 0.31 H new ATOM 0 HG12 ILE A 273 -4.392 2.986 -3.125 1.00 0.41 H new ATOM 0 HG13 ILE A 273 -5.266 1.513 -2.752 1.00 0.41 H new ATOM 0 HG21 ILE A 273 -7.188 1.582 -1.155 1.00 0.32 H new ATOM 0 HG22 ILE A 273 -7.493 3.051 -0.198 1.00 0.32 H new ATOM 0 HG23 ILE A 273 -7.919 3.010 -1.925 1.00 0.32 H new ATOM 0 HD11 ILE A 273 -5.956 2.417 -4.919 1.00 0.86 H new ATOM 0 HD12 ILE A 273 -7.312 2.455 -3.767 1.00 0.86 H new ATOM 0 HD13 ILE A 273 -6.425 3.950 -4.146 1.00 0.86 H new ATOM 1077 N SER A 274 -7.491 6.154 -2.424 1.00 0.33 N ATOM 1078 CA SER A 274 -8.757 6.856 -2.444 1.00 0.39 C ATOM 1079 C SER A 274 -9.694 6.103 -3.370 1.00 0.45 C ATOM 1080 O SER A 274 -9.221 5.345 -4.220 1.00 0.50 O ATOM 1081 CB SER A 274 -8.557 8.297 -2.924 1.00 0.52 C ATOM 1082 OG SER A 274 -9.757 9.046 -2.838 1.00 1.13 O ATOM 0 H SER A 274 -6.931 6.289 -3.265 1.00 0.33 H new ATOM 0 HA SER A 274 -9.184 6.901 -1.442 1.00 0.39 H new ATOM 0 HB2 SER A 274 -7.784 8.777 -2.324 1.00 0.52 H new ATOM 0 HB3 SER A 274 -8.203 8.292 -3.955 1.00 0.52 H new ATOM 0 HG SER A 274 -9.595 9.961 -3.150 1.00 1.13 H new ATOM 1088 N GLN A 275 -11.002 6.198 -3.117 1.00 0.51 N ATOM 1089 CA GLN A 275 -11.985 5.408 -3.853 1.00 0.62 C ATOM 1090 C GLN A 275 -11.762 3.940 -3.526 1.00 0.62 C ATOM 1091 O GLN A 275 -11.052 3.224 -4.238 1.00 0.74 O ATOM 1092 CB GLN A 275 -11.875 5.667 -5.357 1.00 0.75 C ATOM 1093 CG GLN A 275 -11.885 7.144 -5.699 1.00 0.90 C ATOM 1094 CD GLN A 275 -13.243 7.783 -5.500 1.00 1.53 C ATOM 1095 OE1 GLN A 275 -14.222 7.396 -6.138 1.00 2.14 O ATOM 1096 NE2 GLN A 275 -13.314 8.766 -4.618 1.00 2.27 N ATOM 0 H GLN A 275 -11.402 6.814 -2.409 1.00 0.51 H new ATOM 0 HA GLN A 275 -12.993 5.696 -3.555 1.00 0.62 H new ATOM 0 HB2 GLN A 275 -10.956 5.218 -5.733 1.00 0.75 H new ATOM 0 HB3 GLN A 275 -12.702 5.174 -5.868 1.00 0.75 H new ATOM 0 HG2 GLN A 275 -11.151 7.661 -5.080 1.00 0.90 H new ATOM 0 HG3 GLN A 275 -11.576 7.274 -6.736 1.00 0.90 H new ATOM 0 HE21 GLN A 275 -12.479 9.057 -4.110 1.00 2.27 H new ATOM 0 HE22 GLN A 275 -14.204 9.233 -4.446 1.00 2.27 H new ATOM 1105 N CYS A 276 -12.223 3.556 -2.351 1.00 0.60 N ATOM 1106 CA CYS A 276 -11.926 2.288 -1.784 1.00 0.69 C ATOM 1107 C CYS A 276 -12.939 2.030 -0.707 1.00 0.75 C ATOM 1108 O CYS A 276 -13.151 2.859 0.183 1.00 1.27 O ATOM 1109 CB CYS A 276 -10.524 2.300 -1.190 1.00 0.80 C ATOM 1110 SG CYS A 276 -10.211 3.718 -0.115 1.00 2.00 S ATOM 0 H CYS A 276 -12.823 4.138 -1.767 1.00 0.60 H new ATOM 0 HA CYS A 276 -11.965 1.507 -2.543 1.00 0.69 H new ATOM 0 HB2 CYS A 276 -10.370 1.382 -0.622 1.00 0.80 H new ATOM 0 HB3 CYS A 276 -9.794 2.300 -2.000 1.00 0.80 H new ATOM 0 HG CYS A 276 -9.200 4.395 -0.573 1.00 2.00 H new ATOM 1116 N SER A 277 -13.585 0.914 -0.799 1.00 0.54 N ATOM 1117 CA SER A 277 -14.576 0.566 0.158 1.00 0.52 C ATOM 1118 C SER A 277 -14.896 -0.903 0.002 1.00 0.48 C ATOM 1119 O SER A 277 -14.009 -1.682 -0.343 1.00 0.47 O ATOM 1120 CB SER A 277 -15.824 1.436 -0.034 1.00 0.56 C ATOM 1121 OG SER A 277 -16.349 1.307 -1.345 1.00 0.63 O ATOM 0 H SER A 277 -13.440 0.224 -1.536 1.00 0.54 H new ATOM 0 HA SER A 277 -14.208 0.745 1.168 1.00 0.52 H new ATOM 0 HB2 SER A 277 -16.584 1.150 0.693 1.00 0.56 H new ATOM 0 HB3 SER A 277 -15.575 2.480 0.159 1.00 0.56 H new ATOM 0 HG SER A 277 -17.145 1.872 -1.436 1.00 0.63 H new ATOM 1127 N LEU A 278 -16.158 -1.277 0.163 1.00 0.51 N ATOM 1128 CA LEU A 278 -16.558 -2.665 0.006 1.00 0.54 C ATOM 1129 C LEU A 278 -16.575 -3.074 -1.469 1.00 0.58 C ATOM 1130 O LEU A 278 -17.576 -3.582 -1.978 1.00 0.71 O ATOM 1131 CB LEU A 278 -17.925 -2.913 0.643 1.00 0.63 C ATOM 1132 CG LEU A 278 -17.893 -3.469 2.069 1.00 0.78 C ATOM 1133 CD1 LEU A 278 -17.325 -4.878 2.080 1.00 1.22 C ATOM 1134 CD2 LEU A 278 -17.076 -2.565 2.976 1.00 0.79 C ATOM 0 H LEU A 278 -16.918 -0.640 0.401 1.00 0.51 H new ATOM 0 HA LEU A 278 -15.820 -3.281 0.520 1.00 0.54 H new ATOM 0 HB2 LEU A 278 -18.480 -1.975 0.649 1.00 0.63 H new ATOM 0 HB3 LEU A 278 -18.480 -3.608 0.013 1.00 0.63 H new ATOM 0 HG LEU A 278 -18.916 -3.504 2.445 1.00 0.78 H new ATOM 0 HD11 LEU A 278 -17.310 -5.256 3.102 1.00 1.22 H new ATOM 0 HD12 LEU A 278 -17.947 -5.526 1.462 1.00 1.22 H new ATOM 0 HD13 LEU A 278 -16.310 -4.864 1.684 1.00 1.22 H new ATOM 0 HD21 LEU A 278 -17.065 -2.976 3.985 1.00 0.79 H new ATOM 0 HD22 LEU A 278 -16.055 -2.499 2.600 1.00 0.79 H new ATOM 0 HD23 LEU A 278 -17.521 -1.570 2.995 1.00 0.79 H new ATOM 1146 N ALA A 279 -15.471 -2.821 -2.154 1.00 0.53 N ATOM 1147 CA ALA A 279 -15.341 -3.139 -3.561 1.00 0.61 C ATOM 1148 C ALA A 279 -13.915 -3.566 -3.870 1.00 0.58 C ATOM 1149 O ALA A 279 -13.690 -4.643 -4.424 1.00 0.62 O ATOM 1150 CB ALA A 279 -15.738 -1.947 -4.420 1.00 0.71 C ATOM 0 H ALA A 279 -14.641 -2.389 -1.747 1.00 0.53 H new ATOM 0 HA ALA A 279 -16.013 -3.965 -3.794 1.00 0.61 H new ATOM 0 HB1 ALA A 279 -15.633 -2.207 -5.473 1.00 0.71 H new ATOM 0 HB2 ALA A 279 -16.774 -1.679 -4.214 1.00 0.71 H new ATOM 0 HB3 ALA A 279 -15.091 -1.101 -4.189 1.00 0.71 H new ATOM 1156 N ASP A 280 -12.941 -2.754 -3.462 1.00 0.56 N ATOM 1157 CA ASP A 280 -11.536 -3.098 -3.676 1.00 0.59 C ATOM 1158 C ASP A 280 -10.998 -3.999 -2.567 1.00 0.50 C ATOM 1159 O ASP A 280 -9.804 -4.300 -2.531 1.00 0.70 O ATOM 1160 CB ASP A 280 -10.691 -1.837 -3.791 1.00 0.70 C ATOM 1161 CG ASP A 280 -10.852 -0.924 -2.606 1.00 1.21 C ATOM 1162 OD1 ASP A 280 -12.000 -0.596 -2.260 1.00 1.84 O ATOM 1163 OD2 ASP A 280 -9.821 -0.586 -1.985 1.00 1.77 O ATOM 0 H ASP A 280 -13.095 -1.864 -2.987 1.00 0.56 H new ATOM 0 HA ASP A 280 -11.473 -3.654 -4.612 1.00 0.59 H new ATOM 0 HB2 ASP A 280 -9.642 -2.115 -3.891 1.00 0.70 H new ATOM 0 HB3 ASP A 280 -10.967 -1.300 -4.699 1.00 0.70 H new ATOM 1168 N ASP A 281 -11.916 -4.543 -1.775 1.00 0.37 N ATOM 1169 CA ASP A 281 -11.591 -5.551 -0.766 1.00 0.33 C ATOM 1170 C ASP A 281 -10.887 -6.738 -1.428 1.00 0.34 C ATOM 1171 O ASP A 281 -11.472 -7.412 -2.279 1.00 0.43 O ATOM 1172 CB ASP A 281 -12.889 -6.003 -0.090 1.00 0.40 C ATOM 1173 CG ASP A 281 -12.700 -7.151 0.879 1.00 0.52 C ATOM 1174 OD1 ASP A 281 -12.079 -6.954 1.941 1.00 1.12 O ATOM 1175 OD2 ASP A 281 -13.197 -8.257 0.589 1.00 0.81 O ATOM 0 H ASP A 281 -12.906 -4.300 -1.812 1.00 0.37 H new ATOM 0 HA ASP A 281 -10.920 -5.131 -0.017 1.00 0.33 H new ATOM 0 HB2 ASP A 281 -13.325 -5.158 0.442 1.00 0.40 H new ATOM 0 HB3 ASP A 281 -13.604 -6.300 -0.857 1.00 0.40 H new ATOM 1180 N ALA A 282 -9.595 -6.889 -1.139 1.00 0.31 N ATOM 1181 CA ALA A 282 -8.754 -7.863 -1.837 1.00 0.37 C ATOM 1182 C ALA A 282 -7.395 -8.007 -1.143 1.00 0.35 C ATOM 1183 O ALA A 282 -7.343 -8.325 0.041 1.00 0.58 O ATOM 1184 CB ALA A 282 -8.588 -7.438 -3.294 1.00 0.48 C ATOM 0 H ALA A 282 -9.106 -6.349 -0.425 1.00 0.31 H new ATOM 0 HA ALA A 282 -9.238 -8.839 -1.809 1.00 0.37 H new ATOM 0 HB1 ALA A 282 -7.962 -8.162 -3.815 1.00 0.48 H new ATOM 0 HB2 ALA A 282 -9.566 -7.392 -3.773 1.00 0.48 H new ATOM 0 HB3 ALA A 282 -8.117 -6.456 -3.335 1.00 0.48 H new ATOM 1190 N ALA A 283 -6.300 -7.767 -1.870 1.00 0.22 N ATOM 1191 CA ALA A 283 -4.960 -7.795 -1.285 1.00 0.17 C ATOM 1192 C ALA A 283 -4.055 -6.823 -2.034 1.00 0.15 C ATOM 1193 O ALA A 283 -4.007 -6.853 -3.263 1.00 0.19 O ATOM 1194 CB ALA A 283 -4.377 -9.201 -1.322 1.00 0.22 C ATOM 0 H ALA A 283 -6.317 -7.551 -2.867 1.00 0.22 H new ATOM 0 HA ALA A 283 -5.029 -7.491 -0.241 1.00 0.17 H new ATOM 0 HB1 ALA A 283 -3.380 -9.193 -0.881 1.00 0.22 H new ATOM 0 HB2 ALA A 283 -5.019 -9.876 -0.756 1.00 0.22 H new ATOM 0 HB3 ALA A 283 -4.314 -9.542 -2.355 1.00 0.22 H new ATOM 1200 N TYR A 284 -3.361 -5.952 -1.306 1.00 0.12 N ATOM 1201 CA TYR A 284 -2.474 -4.969 -1.927 1.00 0.13 C ATOM 1202 C TYR A 284 -1.040 -5.085 -1.370 1.00 0.14 C ATOM 1203 O TYR A 284 -0.767 -4.755 -0.214 1.00 0.16 O ATOM 1204 CB TYR A 284 -3.012 -3.524 -1.763 1.00 0.15 C ATOM 1205 CG TYR A 284 -4.235 -3.181 -2.635 1.00 0.19 C ATOM 1206 CD1 TYR A 284 -5.206 -4.137 -2.905 1.00 0.22 C ATOM 1207 CD2 TYR A 284 -4.430 -1.900 -3.190 1.00 0.26 C ATOM 1208 CE1 TYR A 284 -6.312 -3.855 -3.682 1.00 0.29 C ATOM 1209 CE2 TYR A 284 -5.539 -1.619 -3.969 1.00 0.32 C ATOM 1210 CZ TYR A 284 -6.473 -2.598 -4.210 1.00 0.35 C ATOM 1211 OH TYR A 284 -7.578 -2.316 -4.983 1.00 0.41 O ATOM 0 H TYR A 284 -3.395 -5.906 -0.288 1.00 0.12 H new ATOM 0 HA TYR A 284 -2.445 -5.190 -2.994 1.00 0.13 H new ATOM 0 HB2 TYR A 284 -3.275 -3.367 -0.717 1.00 0.15 H new ATOM 0 HB3 TYR A 284 -2.210 -2.825 -1.998 1.00 0.15 H new ATOM 0 HD1 TYR A 284 -5.093 -5.130 -2.495 1.00 0.22 H new ATOM 0 HD2 TYR A 284 -3.702 -1.125 -3.004 1.00 0.26 H new ATOM 0 HE1 TYR A 284 -7.048 -4.621 -3.874 1.00 0.29 H new ATOM 0 HE2 TYR A 284 -5.670 -0.632 -4.387 1.00 0.32 H new ATOM 0 HH TYR A 284 -7.541 -1.382 -5.278 1.00 0.41 H new ATOM 1221 N GLN A 285 -0.130 -5.532 -2.229 1.00 0.13 N ATOM 1222 CA GLN A 285 1.284 -5.667 -1.913 1.00 0.13 C ATOM 1223 C GLN A 285 2.012 -4.326 -2.041 1.00 0.12 C ATOM 1224 O GLN A 285 1.467 -3.366 -2.582 1.00 0.13 O ATOM 1225 CB GLN A 285 1.954 -6.689 -2.845 1.00 0.12 C ATOM 1226 CG GLN A 285 1.366 -8.092 -2.784 1.00 0.15 C ATOM 1227 CD GLN A 285 0.116 -8.277 -3.618 1.00 0.21 C ATOM 1228 OE1 GLN A 285 -0.156 -7.347 -4.516 1.00 0.29 O flip ATOM 1229 NE2 GLN A 285 -0.588 -9.271 -3.477 1.00 0.18 N flip ATOM 0 H GLN A 285 -0.361 -5.815 -3.181 1.00 0.13 H new ATOM 0 HA GLN A 285 1.353 -6.012 -0.881 1.00 0.13 H new ATOM 0 HB2 GLN A 285 1.884 -6.325 -3.870 1.00 0.12 H new ATOM 0 HB3 GLN A 285 3.014 -6.744 -2.598 1.00 0.12 H new ATOM 0 HG2 GLN A 285 2.120 -8.805 -3.117 1.00 0.15 H new ATOM 0 HG3 GLN A 285 1.136 -8.333 -1.746 1.00 0.15 H new ATOM 0 HE21 GLN A 285 -0.349 -9.970 -2.774 1.00 0.18 H new ATOM 0 HE22 GLN A 285 -1.413 -9.399 -4.063 1.00 0.18 H new ATOM 1238 N CYS A 286 3.264 -4.289 -1.592 1.00 0.14 N ATOM 1239 CA CYS A 286 4.088 -3.078 -1.679 1.00 0.19 C ATOM 1240 C CYS A 286 5.344 -3.329 -2.459 1.00 0.19 C ATOM 1241 O CYS A 286 5.859 -4.438 -2.435 1.00 0.20 O ATOM 1242 CB CYS A 286 4.481 -2.624 -0.314 1.00 0.28 C ATOM 1243 SG CYS A 286 5.657 -3.710 0.524 1.00 1.00 S ATOM 0 H CYS A 286 3.735 -5.085 -1.162 1.00 0.14 H new ATOM 0 HA CYS A 286 3.491 -2.317 -2.182 1.00 0.19 H new ATOM 0 HB2 CYS A 286 4.914 -1.627 -0.387 1.00 0.28 H new ATOM 0 HB3 CYS A 286 3.584 -2.538 0.299 1.00 0.28 H new ATOM 0 HG CYS A 286 6.771 -3.071 0.724 1.00 1.00 H new ATOM 1249 N VAL A 287 5.706 -2.389 -3.324 1.00 0.20 N ATOM 1250 CA VAL A 287 6.716 -2.691 -4.307 1.00 0.21 C ATOM 1251 C VAL A 287 7.646 -1.508 -4.627 1.00 0.22 C ATOM 1252 O VAL A 287 7.227 -0.377 -4.904 1.00 0.24 O ATOM 1253 CB VAL A 287 6.038 -3.277 -5.578 1.00 0.21 C ATOM 1254 CG1 VAL A 287 4.580 -3.611 -5.266 1.00 0.18 C ATOM 1255 CG2 VAL A 287 6.132 -2.356 -6.786 1.00 0.27 C ATOM 0 H VAL A 287 5.325 -1.444 -3.360 1.00 0.20 H new ATOM 0 HA VAL A 287 7.380 -3.442 -3.879 1.00 0.21 H new ATOM 0 HB VAL A 287 6.580 -4.183 -5.848 1.00 0.21 H new ATOM 0 HG11 VAL A 287 4.102 -4.022 -6.155 1.00 0.18 H new ATOM 0 HG12 VAL A 287 4.539 -4.344 -4.461 1.00 0.18 H new ATOM 0 HG13 VAL A 287 4.057 -2.705 -4.959 1.00 0.18 H new ATOM 0 HG21 VAL A 287 5.640 -2.823 -7.639 1.00 0.27 H new ATOM 0 HG22 VAL A 287 5.643 -1.408 -6.560 1.00 0.27 H new ATOM 0 HG23 VAL A 287 7.180 -2.176 -7.026 1.00 0.27 H new ATOM 1265 N VAL A 288 8.930 -1.807 -4.620 1.00 0.24 N ATOM 1266 CA VAL A 288 9.959 -0.846 -4.974 1.00 0.26 C ATOM 1267 C VAL A 288 11.072 -1.576 -5.713 1.00 0.33 C ATOM 1268 O VAL A 288 11.675 -2.507 -5.172 1.00 0.37 O ATOM 1269 CB VAL A 288 10.549 -0.128 -3.735 1.00 0.27 C ATOM 1270 CG1 VAL A 288 11.818 0.624 -4.102 1.00 0.31 C ATOM 1271 CG2 VAL A 288 9.540 0.832 -3.131 1.00 0.36 C ATOM 0 H VAL A 288 9.292 -2.727 -4.368 1.00 0.24 H new ATOM 0 HA VAL A 288 9.504 -0.081 -5.604 1.00 0.26 H new ATOM 0 HB VAL A 288 10.791 -0.891 -2.995 1.00 0.27 H new ATOM 0 HG11 VAL A 288 12.215 1.121 -3.217 1.00 0.31 H new ATOM 0 HG12 VAL A 288 12.558 -0.077 -4.487 1.00 0.31 H new ATOM 0 HG13 VAL A 288 11.592 1.369 -4.865 1.00 0.31 H new ATOM 0 HG21 VAL A 288 9.979 1.323 -2.263 1.00 0.36 H new ATOM 0 HG22 VAL A 288 9.264 1.583 -3.871 1.00 0.36 H new ATOM 0 HG23 VAL A 288 8.651 0.280 -2.825 1.00 0.36 H new ATOM 1281 N GLY A 289 11.234 -1.254 -6.986 1.00 0.43 N ATOM 1282 CA GLY A 289 12.176 -1.973 -7.817 1.00 0.57 C ATOM 1283 C GLY A 289 11.721 -3.394 -8.098 1.00 0.73 C ATOM 1284 O GLY A 289 12.522 -4.329 -8.059 1.00 1.51 O ATOM 0 H GLY A 289 10.729 -0.506 -7.460 1.00 0.43 H new ATOM 0 HA2 GLY A 289 12.306 -1.441 -8.760 1.00 0.57 H new ATOM 0 HA3 GLY A 289 13.149 -1.995 -7.326 1.00 0.57 H new ATOM 1288 N GLY A 290 10.429 -3.557 -8.362 1.00 0.41 N ATOM 1289 CA GLY A 290 9.886 -4.871 -8.664 1.00 0.41 C ATOM 1290 C GLY A 290 9.539 -5.678 -7.425 1.00 0.37 C ATOM 1291 O GLY A 290 8.615 -6.497 -7.451 1.00 0.64 O ATOM 0 H GLY A 290 9.745 -2.800 -8.372 1.00 0.41 H new ATOM 0 HA2 GLY A 290 8.991 -4.755 -9.276 1.00 0.41 H new ATOM 0 HA3 GLY A 290 10.610 -5.427 -9.260 1.00 0.41 H new ATOM 1295 N GLU A 291 10.305 -5.476 -6.359 1.00 0.27 N ATOM 1296 CA GLU A 291 10.116 -6.208 -5.112 1.00 0.22 C ATOM 1297 C GLU A 291 8.738 -5.923 -4.526 1.00 0.16 C ATOM 1298 O GLU A 291 8.411 -4.774 -4.283 1.00 0.19 O ATOM 1299 CB GLU A 291 11.205 -5.790 -4.116 1.00 0.26 C ATOM 1300 CG GLU A 291 12.604 -6.180 -4.559 1.00 0.53 C ATOM 1301 CD GLU A 291 13.625 -6.030 -3.456 1.00 1.48 C ATOM 1302 OE1 GLU A 291 13.590 -6.831 -2.499 1.00 2.19 O ATOM 1303 OE2 GLU A 291 14.479 -5.123 -3.553 1.00 2.11 O ATOM 0 H GLU A 291 11.071 -4.803 -6.334 1.00 0.27 H new ATOM 0 HA GLU A 291 10.188 -7.277 -5.311 1.00 0.22 H new ATOM 0 HB2 GLU A 291 11.164 -4.710 -3.975 1.00 0.26 H new ATOM 0 HB3 GLU A 291 10.997 -6.246 -3.148 1.00 0.26 H new ATOM 0 HG2 GLU A 291 12.597 -7.214 -4.904 1.00 0.53 H new ATOM 0 HG3 GLU A 291 12.898 -5.562 -5.408 1.00 0.53 H new ATOM 1310 N LYS A 292 7.950 -6.974 -4.279 1.00 0.18 N ATOM 1311 CA LYS A 292 6.594 -6.827 -3.740 1.00 0.16 C ATOM 1312 C LYS A 292 6.390 -7.648 -2.462 1.00 0.17 C ATOM 1313 O LYS A 292 6.757 -8.819 -2.392 1.00 0.29 O ATOM 1314 CB LYS A 292 5.560 -7.214 -4.800 1.00 0.18 C ATOM 1315 CG LYS A 292 6.050 -8.255 -5.789 1.00 0.23 C ATOM 1316 CD LYS A 292 4.978 -8.583 -6.806 1.00 0.29 C ATOM 1317 CE LYS A 292 5.565 -9.235 -8.047 1.00 0.49 C ATOM 1318 NZ LYS A 292 6.485 -8.322 -8.782 1.00 1.33 N ATOM 0 H LYS A 292 8.230 -7.941 -4.445 1.00 0.18 H new ATOM 0 HA LYS A 292 6.457 -5.779 -3.473 1.00 0.16 H new ATOM 0 HB2 LYS A 292 4.668 -7.593 -4.301 1.00 0.18 H new ATOM 0 HB3 LYS A 292 5.263 -6.319 -5.347 1.00 0.18 H new ATOM 0 HG2 LYS A 292 6.940 -7.887 -6.299 1.00 0.23 H new ATOM 0 HG3 LYS A 292 6.340 -9.160 -5.256 1.00 0.23 H new ATOM 0 HD2 LYS A 292 4.242 -9.250 -6.357 1.00 0.29 H new ATOM 0 HD3 LYS A 292 4.452 -7.671 -7.088 1.00 0.29 H new ATOM 0 HE2 LYS A 292 6.105 -10.138 -7.760 1.00 0.49 H new ATOM 0 HE3 LYS A 292 4.757 -9.544 -8.710 1.00 0.49 H new ATOM 0 HZ1 LYS A 292 6.076 -8.090 -9.710 1.00 1.33 H new ATOM 0 HZ2 LYS A 292 6.618 -7.448 -8.234 1.00 1.33 H new ATOM 0 HZ3 LYS A 292 7.404 -8.789 -8.916 1.00 1.33 H new ATOM 1332 N CYS A 293 5.753 -7.024 -1.472 1.00 0.16 N ATOM 1333 CA CYS A 293 5.406 -7.683 -0.212 1.00 0.18 C ATOM 1334 C CYS A 293 3.908 -7.637 -0.028 1.00 0.15 C ATOM 1335 O CYS A 293 3.300 -6.580 -0.200 1.00 0.14 O ATOM 1336 CB CYS A 293 6.075 -7.005 0.979 1.00 0.28 C ATOM 1337 SG CYS A 293 7.845 -7.302 1.112 1.00 1.55 S ATOM 0 H CYS A 293 5.463 -6.047 -1.520 1.00 0.16 H new ATOM 0 HA CYS A 293 5.758 -8.713 -0.259 1.00 0.18 H new ATOM 0 HB2 CYS A 293 5.904 -5.931 0.912 1.00 0.28 H new ATOM 0 HB3 CYS A 293 5.592 -7.348 1.894 1.00 0.28 H new ATOM 0 HG CYS A 293 8.117 -8.500 0.687 1.00 1.55 H new ATOM 1343 N SER A 294 3.310 -8.796 0.172 1.00 0.17 N ATOM 1344 CA SER A 294 1.868 -8.915 0.146 1.00 0.18 C ATOM 1345 C SER A 294 1.194 -8.481 1.440 1.00 0.17 C ATOM 1346 O SER A 294 1.699 -8.698 2.543 1.00 0.20 O ATOM 1347 CB SER A 294 1.480 -10.354 -0.202 1.00 0.27 C ATOM 1348 OG SER A 294 2.211 -11.287 0.582 1.00 0.61 O ATOM 0 H SER A 294 3.804 -9.670 0.355 1.00 0.17 H new ATOM 0 HA SER A 294 1.509 -8.229 -0.621 1.00 0.18 H new ATOM 0 HB2 SER A 294 0.412 -10.495 -0.038 1.00 0.27 H new ATOM 0 HB3 SER A 294 1.667 -10.538 -1.260 1.00 0.27 H new ATOM 0 HG SER A 294 1.943 -12.198 0.341 1.00 0.61 H new ATOM 1354 N THR A 295 0.023 -7.889 1.268 1.00 0.17 N ATOM 1355 CA THR A 295 -0.810 -7.459 2.363 1.00 0.15 C ATOM 1356 C THR A 295 -2.269 -7.563 1.928 1.00 0.15 C ATOM 1357 O THR A 295 -2.614 -7.128 0.835 1.00 0.15 O ATOM 1358 CB THR A 295 -0.445 -6.010 2.770 1.00 0.18 C ATOM 1359 OG1 THR A 295 0.070 -5.984 4.106 1.00 0.29 O ATOM 1360 CG2 THR A 295 -1.615 -5.040 2.642 1.00 0.20 C ATOM 0 H THR A 295 -0.375 -7.694 0.349 1.00 0.17 H new ATOM 0 HA THR A 295 -0.651 -8.094 3.235 1.00 0.15 H new ATOM 0 HB THR A 295 0.322 -5.675 2.071 1.00 0.18 H new ATOM 0 HG1 THR A 295 -0.159 -5.130 4.528 1.00 0.29 H new ATOM 0 HG21 THR A 295 -1.295 -4.042 2.942 1.00 0.20 H new ATOM 0 HG22 THR A 295 -1.956 -5.016 1.607 1.00 0.20 H new ATOM 0 HG23 THR A 295 -2.431 -5.368 3.286 1.00 0.20 H new ATOM 1368 N GLU A 296 -3.099 -8.228 2.709 1.00 0.15 N ATOM 1369 CA GLU A 296 -4.494 -8.370 2.337 1.00 0.15 C ATOM 1370 C GLU A 296 -5.217 -7.064 2.587 1.00 0.14 C ATOM 1371 O GLU A 296 -4.821 -6.277 3.448 1.00 0.19 O ATOM 1372 CB GLU A 296 -5.163 -9.504 3.101 1.00 0.18 C ATOM 1373 CG GLU A 296 -4.413 -10.812 3.005 1.00 0.22 C ATOM 1374 CD GLU A 296 -5.179 -11.968 3.608 1.00 0.34 C ATOM 1375 OE1 GLU A 296 -6.297 -12.262 3.130 1.00 0.96 O ATOM 1376 OE2 GLU A 296 -4.666 -12.591 4.560 1.00 0.76 O ATOM 0 H GLU A 296 -2.838 -8.671 3.590 1.00 0.15 H new ATOM 0 HA GLU A 296 -4.545 -8.618 1.277 1.00 0.15 H new ATOM 0 HB2 GLU A 296 -5.255 -9.222 4.150 1.00 0.18 H new ATOM 0 HB3 GLU A 296 -6.174 -9.644 2.719 1.00 0.18 H new ATOM 0 HG2 GLU A 296 -4.201 -11.029 1.958 1.00 0.22 H new ATOM 0 HG3 GLU A 296 -3.453 -10.714 3.511 1.00 0.22 H new ATOM 1383 N LEU A 297 -6.215 -6.799 1.785 1.00 0.15 N ATOM 1384 CA LEU A 297 -6.966 -5.579 1.897 1.00 0.15 C ATOM 1385 C LEU A 297 -8.403 -5.894 2.260 1.00 0.15 C ATOM 1386 O LEU A 297 -9.192 -6.308 1.413 1.00 0.23 O ATOM 1387 CB LEU A 297 -6.902 -4.808 0.582 1.00 0.22 C ATOM 1388 CG LEU A 297 -7.571 -3.441 0.609 1.00 0.21 C ATOM 1389 CD1 LEU A 297 -7.045 -2.637 1.784 1.00 0.26 C ATOM 1390 CD2 LEU A 297 -7.316 -2.713 -0.696 1.00 0.29 C ATOM 0 H LEU A 297 -6.528 -7.421 1.039 1.00 0.15 H new ATOM 0 HA LEU A 297 -6.535 -4.960 2.683 1.00 0.15 H new ATOM 0 HB2 LEU A 297 -5.856 -4.679 0.303 1.00 0.22 H new ATOM 0 HB3 LEU A 297 -7.368 -5.409 -0.198 1.00 0.22 H new ATOM 0 HG LEU A 297 -8.647 -3.567 0.727 1.00 0.21 H new ATOM 0 HD11 LEU A 297 -7.526 -1.659 1.800 1.00 0.26 H new ATOM 0 HD12 LEU A 297 -7.264 -3.164 2.713 1.00 0.26 H new ATOM 0 HD13 LEU A 297 -5.967 -2.509 1.684 1.00 0.26 H new ATOM 0 HD21 LEU A 297 -7.798 -1.736 -0.668 1.00 0.29 H new ATOM 0 HD22 LEU A 297 -6.243 -2.584 -0.837 1.00 0.29 H new ATOM 0 HD23 LEU A 297 -7.723 -3.295 -1.523 1.00 0.29 H new ATOM 1402 N PHE A 298 -8.738 -5.628 3.506 1.00 0.14 N ATOM 1403 CA PHE A 298 -10.093 -5.785 3.999 1.00 0.19 C ATOM 1404 C PHE A 298 -10.712 -4.413 4.147 1.00 0.19 C ATOM 1405 O PHE A 298 -10.004 -3.446 4.384 1.00 0.24 O ATOM 1406 CB PHE A 298 -10.116 -6.506 5.353 1.00 0.26 C ATOM 1407 CG PHE A 298 -9.720 -7.956 5.299 1.00 0.28 C ATOM 1408 CD1 PHE A 298 -8.427 -8.331 4.972 1.00 0.25 C ATOM 1409 CD2 PHE A 298 -10.647 -8.946 5.585 1.00 0.50 C ATOM 1410 CE1 PHE A 298 -8.068 -9.664 4.931 1.00 0.32 C ATOM 1411 CE2 PHE A 298 -10.293 -10.280 5.543 1.00 0.58 C ATOM 1412 CZ PHE A 298 -9.001 -10.640 5.216 1.00 0.45 C ATOM 0 H PHE A 298 -8.077 -5.296 4.208 1.00 0.14 H new ATOM 0 HA PHE A 298 -10.658 -6.389 3.289 1.00 0.19 H new ATOM 0 HB2 PHE A 298 -9.446 -5.986 6.038 1.00 0.26 H new ATOM 0 HB3 PHE A 298 -11.120 -6.433 5.771 1.00 0.26 H new ATOM 0 HD1 PHE A 298 -7.692 -7.573 4.747 1.00 0.25 H new ATOM 0 HD2 PHE A 298 -11.659 -8.671 5.844 1.00 0.50 H new ATOM 0 HE1 PHE A 298 -7.056 -9.943 4.676 1.00 0.32 H new ATOM 0 HE2 PHE A 298 -11.026 -11.041 5.766 1.00 0.58 H new ATOM 0 HZ PHE A 298 -8.721 -11.683 5.183 1.00 0.45 H new ATOM 1422 N VAL A 299 -12.006 -4.301 3.966 1.00 0.28 N ATOM 1423 CA VAL A 299 -12.651 -3.012 4.119 1.00 0.28 C ATOM 1424 C VAL A 299 -13.822 -3.092 5.086 1.00 0.32 C ATOM 1425 O VAL A 299 -14.644 -4.007 5.019 1.00 0.40 O ATOM 1426 CB VAL A 299 -13.118 -2.429 2.771 1.00 0.33 C ATOM 1427 CG1 VAL A 299 -13.921 -3.440 1.983 1.00 0.44 C ATOM 1428 CG2 VAL A 299 -13.916 -1.154 2.994 1.00 0.35 C ATOM 0 H VAL A 299 -12.627 -5.070 3.717 1.00 0.28 H new ATOM 0 HA VAL A 299 -11.900 -2.338 4.531 1.00 0.28 H new ATOM 0 HB VAL A 299 -12.233 -2.184 2.183 1.00 0.33 H new ATOM 0 HG11 VAL A 299 -14.235 -2.998 1.038 1.00 0.44 H new ATOM 0 HG12 VAL A 299 -13.307 -4.319 1.786 1.00 0.44 H new ATOM 0 HG13 VAL A 299 -14.800 -3.733 2.557 1.00 0.44 H new ATOM 0 HG21 VAL A 299 -14.239 -0.754 2.033 1.00 0.35 H new ATOM 0 HG22 VAL A 299 -14.790 -1.374 3.607 1.00 0.35 H new ATOM 0 HG23 VAL A 299 -13.292 -0.418 3.502 1.00 0.35 H new ATOM 1438 N LYS A 300 -13.905 -2.107 5.963 1.00 0.33 N ATOM 1439 CA LYS A 300 -14.998 -2.013 6.902 1.00 0.41 C ATOM 1440 C LYS A 300 -15.924 -0.881 6.480 1.00 0.40 C ATOM 1441 O LYS A 300 -15.459 0.209 6.116 1.00 0.37 O ATOM 1442 CB LYS A 300 -14.466 -1.761 8.313 1.00 0.48 C ATOM 1443 CG LYS A 300 -15.407 -2.230 9.411 1.00 1.17 C ATOM 1444 CD LYS A 300 -14.846 -1.939 10.796 1.00 1.72 C ATOM 1445 CE LYS A 300 -13.542 -2.681 11.047 1.00 2.32 C ATOM 1446 NZ LYS A 300 -12.980 -2.377 12.390 1.00 3.03 N ATOM 0 H LYS A 300 -13.219 -1.356 6.041 1.00 0.33 H new ATOM 0 HA LYS A 300 -15.551 -2.952 6.907 1.00 0.41 H new ATOM 0 HB2 LYS A 300 -13.507 -2.267 8.427 1.00 0.48 H new ATOM 0 HB3 LYS A 300 -14.280 -0.694 8.437 1.00 0.48 H new ATOM 0 HG2 LYS A 300 -16.372 -1.736 9.298 1.00 1.17 H new ATOM 0 HG3 LYS A 300 -15.582 -3.301 9.307 1.00 1.17 H new ATOM 0 HD2 LYS A 300 -14.680 -0.867 10.903 1.00 1.72 H new ATOM 0 HD3 LYS A 300 -15.578 -2.225 11.552 1.00 1.72 H new ATOM 0 HE2 LYS A 300 -13.712 -3.754 10.959 1.00 2.32 H new ATOM 0 HE3 LYS A 300 -12.817 -2.410 10.280 1.00 2.32 H new ATOM 0 HZ1 LYS A 300 -12.092 -2.902 12.522 1.00 3.03 H new ATOM 0 HZ2 LYS A 300 -12.793 -1.357 12.465 1.00 3.03 H new ATOM 0 HZ3 LYS A 300 -13.661 -2.659 13.123 1.00 3.03 H new ATOM 1460 N GLU A 301 -17.217 -1.163 6.465 1.00 0.50 N ATOM 1461 CA GLU A 301 -18.201 -0.178 6.059 1.00 0.57 C ATOM 1462 C GLU A 301 -18.279 0.945 7.089 1.00 0.65 C ATOM 1463 O GLU A 301 -18.275 2.125 6.694 1.00 1.41 O ATOM 1464 CB GLU A 301 -19.578 -0.823 5.874 1.00 0.83 C ATOM 1465 CG GLU A 301 -19.634 -1.778 4.697 1.00 0.66 C ATOM 1466 CD GLU A 301 -21.035 -2.231 4.351 1.00 0.90 C ATOM 1467 OE1 GLU A 301 -21.851 -1.374 3.963 1.00 1.44 O ATOM 1468 OE2 GLU A 301 -21.315 -3.444 4.442 1.00 1.21 O ATOM 1469 OXT GLU A 301 -18.332 0.638 8.299 1.00 1.20 O ATOM 0 H GLU A 301 -17.608 -2.067 6.730 1.00 0.50 H new ATOM 0 HA GLU A 301 -17.889 0.240 5.102 1.00 0.57 H new ATOM 0 HB2 GLU A 301 -19.846 -1.361 6.784 1.00 0.83 H new ATOM 0 HB3 GLU A 301 -20.324 -0.040 5.735 1.00 0.83 H new ATOM 0 HG2 GLU A 301 -19.192 -1.294 3.826 1.00 0.66 H new ATOM 0 HG3 GLU A 301 -19.023 -2.653 4.920 1.00 0.66 H new TER 1476 GLU A 301