USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=31 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 11:sc= 1.62 USER MOD Set 1.2: A 286 CYS SG : rot 121:sc= -8.23! USER MOD Set 1.3: A 293 CYS SG : rot 132:sc= -4.26! USER MOD Set 2.1: A 248 LYS NZ :NH3+ 139:sc= 1.09 (180deg=0) USER MOD Set 2.2: A 251 GLN : amide:sc= 0.943 K(o=2,f=-2.6) USER MOD Set 3.1: A 234 THR OG1 : rot 180:sc= 0.545 USER MOD Set 3.2: A 270 THR OG1 : rot -91:sc= 0.583 USER MOD Set 4.1: A 226 SER OG : rot -146:sc= 0.0947 USER MOD Set 4.2: A 229 HIS : no HD1:sc= 0.0392 X(o=0.13,f=-0.0014) USER MOD Set 5.1: A 218 LYS NZ :NH3+ 161:sc= -0.508 (180deg=-2.83!) USER MOD Set 5.2: A 223 TYR OH : rot -130:sc= 1.07 USER MOD Single : A 210 LYS NZ :NH3+ -167:sc= -0.0137 (180deg=-0.192) USER MOD Single : A 211 LYS NZ :NH3+ 177:sc= 0.364 (180deg=0.337) USER MOD Single : A 212 SER OG : rot -3:sc= 0.966 USER MOD Single : A 216 GLN :FLIP amide:sc= -0.472 F(o=-3.1!,f=-0.47) USER MOD Single : A 217 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0604) USER MOD Single : A 224 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 227 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 230 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 240 HIS :FLIP no HE2:sc= -0.0707 F(o=-2.1,f=-0.071) USER MOD Single : A 245 LYS NZ :NH3+ 146:sc= 0.107 (180deg=-0.0892) USER MOD Single : A 249 ASN :FLIP amide:sc= -2.72! C(o=-3.6!,f=-2.7!) USER MOD Single : A 254 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 255 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 256 SER OG : rot 180:sc= 0 USER MOD Single : A 258 SER OG : rot -3:sc= 0.342 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+ -107:sc= 1.2 (180deg=-0.732) USER MOD Single : A 272 THR OG1 : rot 180:sc= 0 USER MOD Single : A 274 SER OG : rot 99:sc= 0.278 USER MOD Single : A 275 GLN : amide:sc= -0.153 X(o=-0.15,f=-0.064) USER MOD Single : A 276 CYS SG : rot 62:sc= -3.63! USER MOD Single : A 277 SER OG : rot 180:sc=0.000595 USER MOD Single : A 284 TYR OH : rot 180:sc= -0.509 USER MOD Single : A 285 GLN :FLIP amide:sc= -12.2! C(o=-16!,f=-12!) USER MOD Single : A 292 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 294 SER OG : rot -94:sc= 0.25 USER MOD Single : A 295 THR OG1 : rot -157:sc= -3.67! USER MOD Single : A 300 LYS NZ :NH3+ 168:sc= -0.0132 (180deg=-0.18) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 208 7.178 -14.785 -4.806 1.00 3.09 N ATOM 2 CA ASP A 208 6.942 -15.357 -3.458 1.00 2.68 C ATOM 3 C ASP A 208 6.884 -14.252 -2.418 1.00 1.97 C ATOM 4 O ASP A 208 7.621 -14.278 -1.430 1.00 2.14 O ATOM 5 CB ASP A 208 8.071 -16.332 -3.122 1.00 3.41 C ATOM 6 CG ASP A 208 7.995 -17.616 -3.920 1.00 4.18 C ATOM 7 OD1 ASP A 208 7.097 -18.439 -3.644 1.00 4.43 O ATOM 8 OD2 ASP A 208 8.833 -17.812 -4.820 1.00 4.71 O ATOM 0 HA ASP A 208 5.988 -15.885 -3.453 1.00 2.68 H new ATOM 0 HB2 ASP A 208 9.030 -15.849 -3.310 1.00 3.41 H new ATOM 0 HB3 ASP A 208 8.036 -16.568 -2.058 1.00 3.41 H new ATOM 13 N GLU A 209 6.064 -13.245 -2.691 1.00 1.38 N ATOM 14 CA GLU A 209 5.977 -12.074 -1.834 1.00 0.90 C ATOM 15 C GLU A 209 5.607 -12.438 -0.399 1.00 0.92 C ATOM 16 O GLU A 209 4.580 -13.074 -0.144 1.00 1.33 O ATOM 17 CB GLU A 209 4.974 -11.051 -2.396 1.00 1.00 C ATOM 18 CG GLU A 209 3.622 -11.623 -2.804 1.00 0.81 C ATOM 19 CD GLU A 209 3.588 -12.096 -4.243 1.00 1.10 C ATOM 20 OE1 GLU A 209 4.658 -12.157 -4.880 1.00 1.51 O ATOM 21 OE2 GLU A 209 2.489 -12.413 -4.744 1.00 1.52 O ATOM 0 H GLU A 209 5.448 -13.218 -3.503 1.00 1.38 H new ATOM 0 HA GLU A 209 6.969 -11.623 -1.817 1.00 0.90 H new ATOM 0 HB2 GLU A 209 4.811 -10.276 -1.646 1.00 1.00 H new ATOM 0 HB3 GLU A 209 5.422 -10.566 -3.263 1.00 1.00 H new ATOM 0 HG2 GLU A 209 3.374 -12.457 -2.147 1.00 0.81 H new ATOM 0 HG3 GLU A 209 2.854 -10.863 -2.659 1.00 0.81 H new ATOM 28 N LYS A 210 6.403 -11.931 0.534 1.00 1.02 N ATOM 29 CA LYS A 210 6.144 -12.078 1.951 1.00 1.23 C ATOM 30 C LYS A 210 6.720 -10.851 2.636 1.00 1.22 C ATOM 31 O LYS A 210 6.299 -9.737 2.332 1.00 1.70 O ATOM 32 CB LYS A 210 6.762 -13.371 2.495 1.00 1.64 C ATOM 33 CG LYS A 210 5.793 -14.207 3.320 1.00 2.30 C ATOM 34 CD LYS A 210 5.215 -13.417 4.486 1.00 2.91 C ATOM 35 CE LYS A 210 4.201 -14.232 5.273 1.00 3.69 C ATOM 36 NZ LYS A 210 3.016 -14.610 4.454 1.00 4.13 N ATOM 0 H LYS A 210 7.250 -11.404 0.322 1.00 1.02 H new ATOM 0 HA LYS A 210 5.074 -12.151 2.143 1.00 1.23 H new ATOM 0 HB2 LYS A 210 7.126 -13.970 1.660 1.00 1.64 H new ATOM 0 HB3 LYS A 210 7.627 -13.121 3.109 1.00 1.64 H new ATOM 0 HG2 LYS A 210 4.982 -14.559 2.682 1.00 2.30 H new ATOM 0 HG3 LYS A 210 6.307 -15.091 3.699 1.00 2.30 H new ATOM 0 HD2 LYS A 210 6.022 -13.104 5.148 1.00 2.91 H new ATOM 0 HD3 LYS A 210 4.740 -12.510 4.111 1.00 2.91 H new ATOM 0 HE2 LYS A 210 4.680 -15.135 5.652 1.00 3.69 H new ATOM 0 HE3 LYS A 210 3.872 -13.658 6.139 1.00 3.69 H new ATOM 0 HZ1 LYS A 210 2.263 -14.966 5.077 1.00 4.13 H new ATOM 0 HZ2 LYS A 210 2.672 -13.776 3.936 1.00 4.13 H new ATOM 0 HZ3 LYS A 210 3.285 -15.352 3.777 1.00 4.13 H new ATOM 50 N LYS A 211 7.790 -11.009 3.398 1.00 0.88 N ATOM 51 CA LYS A 211 8.520 -9.840 3.845 1.00 0.88 C ATOM 52 C LYS A 211 9.848 -9.714 3.106 1.00 0.95 C ATOM 53 O LYS A 211 10.705 -10.598 3.176 1.00 1.30 O ATOM 54 CB LYS A 211 8.746 -9.834 5.350 1.00 1.13 C ATOM 55 CG LYS A 211 9.448 -8.571 5.814 1.00 1.10 C ATOM 56 CD LYS A 211 8.713 -7.318 5.345 1.00 0.94 C ATOM 57 CE LYS A 211 9.387 -6.034 5.819 1.00 0.58 C ATOM 58 NZ LYS A 211 10.852 -6.018 5.551 1.00 1.33 N ATOM 0 H LYS A 211 8.162 -11.906 3.711 1.00 0.88 H new ATOM 0 HA LYS A 211 7.901 -8.975 3.610 1.00 0.88 H new ATOM 0 HB2 LYS A 211 7.787 -9.925 5.861 1.00 1.13 H new ATOM 0 HB3 LYS A 211 9.340 -10.703 5.631 1.00 1.13 H new ATOM 0 HG2 LYS A 211 9.515 -8.569 6.902 1.00 1.10 H new ATOM 0 HG3 LYS A 211 10.469 -8.560 5.432 1.00 1.10 H new ATOM 0 HD2 LYS A 211 8.661 -7.317 4.256 1.00 0.94 H new ATOM 0 HD3 LYS A 211 7.687 -7.343 5.713 1.00 0.94 H new ATOM 0 HE2 LYS A 211 8.922 -5.181 5.324 1.00 0.58 H new ATOM 0 HE3 LYS A 211 9.217 -5.913 6.889 1.00 0.58 H new ATOM 0 HZ1 LYS A 211 11.249 -5.103 5.847 1.00 1.33 H new ATOM 0 HZ2 LYS A 211 11.311 -6.784 6.085 1.00 1.33 H new ATOM 0 HZ3 LYS A 211 11.020 -6.156 4.534 1.00 1.33 H new ATOM 72 N SER A 212 10.004 -8.588 2.435 1.00 1.04 N ATOM 73 CA SER A 212 11.198 -8.236 1.679 1.00 1.39 C ATOM 74 C SER A 212 11.115 -6.747 1.339 1.00 1.11 C ATOM 75 O SER A 212 10.757 -5.948 2.207 1.00 1.73 O ATOM 76 CB SER A 212 11.310 -9.074 0.395 1.00 1.91 C ATOM 77 OG SER A 212 11.496 -10.450 0.684 1.00 2.46 O ATOM 0 H SER A 212 9.282 -7.868 2.398 1.00 1.04 H new ATOM 0 HA SER A 212 12.086 -8.443 2.276 1.00 1.39 H new ATOM 0 HB2 SER A 212 10.408 -8.946 -0.203 1.00 1.91 H new ATOM 0 HB3 SER A 212 12.145 -8.712 -0.205 1.00 1.91 H new ATOM 0 HG SER A 212 11.559 -10.575 1.654 1.00 2.46 H new ATOM 83 N THR A 213 11.308 -6.408 0.056 1.00 0.75 N ATOM 84 CA THR A 213 11.147 -5.039 -0.468 1.00 0.42 C ATOM 85 C THR A 213 11.998 -4.009 0.271 1.00 0.62 C ATOM 86 O THR A 213 12.641 -4.300 1.281 1.00 1.59 O ATOM 87 CB THR A 213 9.659 -4.575 -0.476 1.00 0.48 C ATOM 88 OG1 THR A 213 9.088 -4.613 0.837 1.00 1.20 O ATOM 89 CG2 THR A 213 8.842 -5.440 -1.407 1.00 0.93 C ATOM 0 H THR A 213 11.584 -7.083 -0.657 1.00 0.75 H new ATOM 0 HA THR A 213 11.502 -5.093 -1.497 1.00 0.42 H new ATOM 0 HB THR A 213 9.642 -3.543 -0.828 1.00 0.48 H new ATOM 0 HG1 THR A 213 9.797 -4.758 1.498 1.00 1.20 H new ATOM 0 HG21 THR A 213 7.805 -5.103 -1.401 1.00 0.93 H new ATOM 0 HG22 THR A 213 9.242 -5.365 -2.418 1.00 0.93 H new ATOM 0 HG23 THR A 213 8.888 -6.477 -1.074 1.00 0.93 H new ATOM 97 N ALA A 214 11.980 -2.788 -0.240 1.00 0.50 N ATOM 98 CA ALA A 214 12.686 -1.684 0.381 1.00 0.39 C ATOM 99 C ALA A 214 11.874 -1.116 1.528 1.00 0.25 C ATOM 100 O ALA A 214 12.175 -0.048 2.052 1.00 0.27 O ATOM 101 CB ALA A 214 12.960 -0.596 -0.629 1.00 0.48 C ATOM 0 H ALA A 214 11.478 -2.538 -1.092 1.00 0.50 H new ATOM 0 HA ALA A 214 13.634 -2.061 0.765 1.00 0.39 H new ATOM 0 HB1 ALA A 214 13.490 0.224 -0.145 1.00 0.48 H new ATOM 0 HB2 ALA A 214 13.571 -0.996 -1.438 1.00 0.48 H new ATOM 0 HB3 ALA A 214 12.017 -0.229 -1.034 1.00 0.48 H new ATOM 107 N PHE A 215 10.827 -1.823 1.895 1.00 0.25 N ATOM 108 CA PHE A 215 9.997 -1.425 3.000 1.00 0.18 C ATOM 109 C PHE A 215 10.541 -2.074 4.250 1.00 0.21 C ATOM 110 O PHE A 215 10.441 -3.290 4.426 1.00 0.28 O ATOM 111 CB PHE A 215 8.532 -1.827 2.756 1.00 0.20 C ATOM 112 CG PHE A 215 7.959 -1.296 1.456 1.00 0.23 C ATOM 113 CD1 PHE A 215 8.503 -1.659 0.232 1.00 0.41 C ATOM 114 CD2 PHE A 215 6.878 -0.429 1.457 1.00 0.26 C ATOM 115 CE1 PHE A 215 7.988 -1.170 -0.950 1.00 0.46 C ATOM 116 CE2 PHE A 215 6.363 0.067 0.277 1.00 0.31 C ATOM 117 CZ PHE A 215 6.917 -0.304 -0.927 1.00 0.35 C ATOM 0 H PHE A 215 10.532 -2.685 1.436 1.00 0.25 H new ATOM 0 HA PHE A 215 10.013 -0.341 3.111 1.00 0.18 H new ATOM 0 HB2 PHE A 215 8.459 -2.915 2.757 1.00 0.20 H new ATOM 0 HB3 PHE A 215 7.923 -1.466 3.585 1.00 0.20 H new ATOM 0 HD1 PHE A 215 9.344 -2.336 0.205 1.00 0.41 H new ATOM 0 HD2 PHE A 215 6.432 -0.137 2.396 1.00 0.26 H new ATOM 0 HE1 PHE A 215 8.424 -1.466 -1.893 1.00 0.46 H new ATOM 0 HE2 PHE A 215 5.524 0.747 0.298 1.00 0.31 H new ATOM 0 HZ PHE A 215 6.513 0.083 -1.851 1.00 0.35 H new ATOM 127 N GLN A 216 11.176 -1.248 5.067 1.00 0.18 N ATOM 128 CA GLN A 216 11.776 -1.669 6.322 1.00 0.21 C ATOM 129 C GLN A 216 10.805 -2.548 7.075 1.00 0.24 C ATOM 130 O GLN A 216 11.058 -3.727 7.313 1.00 0.31 O ATOM 131 CB GLN A 216 12.083 -0.430 7.151 1.00 0.20 C ATOM 132 CG GLN A 216 13.429 -0.481 7.859 1.00 0.25 C ATOM 133 CD GLN A 216 13.774 0.813 8.572 1.00 0.30 C ATOM 134 OE1 GLN A 216 12.951 1.831 8.388 1.00 0.92 O flip ATOM 135 NE2 GLN A 216 14.791 0.908 9.259 1.00 0.79 N flip ATOM 0 H GLN A 216 11.290 -0.253 4.874 1.00 0.18 H new ATOM 0 HA GLN A 216 12.691 -2.229 6.129 1.00 0.21 H new ATOM 0 HB2 GLN A 216 12.058 0.445 6.502 1.00 0.20 H new ATOM 0 HB3 GLN A 216 11.297 -0.298 7.895 1.00 0.20 H new ATOM 0 HG2 GLN A 216 13.422 -1.297 8.582 1.00 0.25 H new ATOM 0 HG3 GLN A 216 14.208 -0.707 7.131 1.00 0.25 H new ATOM 0 HE21 GLN A 216 15.403 0.101 9.379 1.00 0.79 H new ATOM 0 HE22 GLN A 216 15.022 1.794 9.709 1.00 0.79 H new ATOM 144 N LYS A 217 9.626 -2.001 7.274 1.00 0.20 N ATOM 145 CA LYS A 217 8.517 -2.759 7.785 1.00 0.22 C ATOM 146 C LYS A 217 7.256 -2.415 7.000 1.00 0.17 C ATOM 147 O LYS A 217 6.786 -1.287 7.053 1.00 0.17 O ATOM 148 CB LYS A 217 8.329 -2.437 9.265 1.00 0.28 C ATOM 149 CG LYS A 217 7.094 -3.059 9.870 1.00 0.36 C ATOM 150 CD LYS A 217 6.896 -2.598 11.302 1.00 0.59 C ATOM 151 CE LYS A 217 5.592 -3.119 11.884 1.00 1.26 C ATOM 152 NZ LYS A 217 5.573 -4.605 11.978 1.00 1.85 N ATOM 0 H LYS A 217 9.414 -1.021 7.085 1.00 0.20 H new ATOM 0 HA LYS A 217 8.715 -3.825 7.675 1.00 0.22 H new ATOM 0 HB2 LYS A 217 9.205 -2.780 9.816 1.00 0.28 H new ATOM 0 HB3 LYS A 217 8.278 -1.355 9.389 1.00 0.28 H new ATOM 0 HG2 LYS A 217 6.220 -2.793 9.275 1.00 0.36 H new ATOM 0 HG3 LYS A 217 7.180 -4.145 9.843 1.00 0.36 H new ATOM 0 HD2 LYS A 217 7.730 -2.941 11.914 1.00 0.59 H new ATOM 0 HD3 LYS A 217 6.901 -1.509 11.338 1.00 0.59 H new ATOM 0 HE2 LYS A 217 5.442 -2.692 12.876 1.00 1.26 H new ATOM 0 HE3 LYS A 217 4.760 -2.785 11.264 1.00 1.26 H new ATOM 0 HZ1 LYS A 217 4.710 -4.911 12.472 1.00 1.85 H new ATOM 0 HZ2 LYS A 217 5.587 -5.014 11.022 1.00 1.85 H new ATOM 0 HZ3 LYS A 217 6.408 -4.930 12.506 1.00 1.85 H new ATOM 166 N LYS A 218 6.612 -3.410 6.434 1.00 0.19 N ATOM 167 CA LYS A 218 5.294 -3.201 5.853 1.00 0.20 C ATOM 168 C LYS A 218 4.245 -3.460 6.922 1.00 0.18 C ATOM 169 O LYS A 218 4.442 -4.316 7.787 1.00 0.20 O ATOM 170 CB LYS A 218 5.068 -4.102 4.628 1.00 0.31 C ATOM 171 CG LYS A 218 3.697 -3.941 3.981 1.00 0.39 C ATOM 172 CD LYS A 218 3.588 -4.758 2.710 1.00 0.96 C ATOM 173 CE LYS A 218 2.238 -4.569 2.045 1.00 1.56 C ATOM 174 NZ LYS A 218 1.836 -3.139 1.979 1.00 2.42 N ATOM 0 H LYS A 218 6.969 -4.363 6.361 1.00 0.19 H new ATOM 0 HA LYS A 218 5.216 -2.172 5.503 1.00 0.20 H new ATOM 0 HB2 LYS A 218 5.836 -3.886 3.885 1.00 0.31 H new ATOM 0 HB3 LYS A 218 5.197 -5.142 4.927 1.00 0.31 H new ATOM 0 HG2 LYS A 218 2.923 -4.251 4.683 1.00 0.39 H new ATOM 0 HG3 LYS A 218 3.520 -2.889 3.756 1.00 0.39 H new ATOM 0 HD2 LYS A 218 4.379 -4.467 2.019 1.00 0.96 H new ATOM 0 HD3 LYS A 218 3.738 -5.813 2.940 1.00 0.96 H new ATOM 0 HE2 LYS A 218 2.271 -4.981 1.037 1.00 1.56 H new ATOM 0 HE3 LYS A 218 1.483 -5.131 2.595 1.00 1.56 H new ATOM 0 HZ1 LYS A 218 1.097 -3.019 1.257 1.00 2.42 H new ATOM 0 HZ2 LYS A 218 1.469 -2.839 2.904 1.00 2.42 H new ATOM 0 HZ3 LYS A 218 2.661 -2.558 1.729 1.00 2.42 H new ATOM 188 N LEU A 219 3.182 -2.664 6.924 1.00 0.16 N ATOM 189 CA LEU A 219 2.139 -2.795 7.933 1.00 0.16 C ATOM 190 C LEU A 219 1.537 -4.202 7.913 1.00 0.16 C ATOM 191 O LEU A 219 1.771 -4.969 6.973 1.00 0.17 O ATOM 192 CB LEU A 219 1.046 -1.741 7.740 1.00 0.20 C ATOM 193 CG LEU A 219 0.907 -0.725 8.880 1.00 0.66 C ATOM 194 CD1 LEU A 219 0.421 -1.404 10.149 1.00 1.20 C ATOM 195 CD2 LEU A 219 2.229 -0.017 9.132 1.00 1.62 C ATOM 0 H LEU A 219 3.020 -1.924 6.241 1.00 0.16 H new ATOM 0 HA LEU A 219 2.598 -2.630 8.908 1.00 0.16 H new ATOM 0 HB2 LEU A 219 1.246 -1.200 6.815 1.00 0.20 H new ATOM 0 HB3 LEU A 219 0.091 -2.251 7.611 1.00 0.20 H new ATOM 0 HG LEU A 219 0.168 0.019 8.582 1.00 0.66 H new ATOM 0 HD11 LEU A 219 0.329 -0.665 10.945 1.00 1.20 H new ATOM 0 HD12 LEU A 219 -0.551 -1.863 9.967 1.00 1.20 H new ATOM 0 HD13 LEU A 219 1.135 -2.172 10.447 1.00 1.20 H new ATOM 0 HD21 LEU A 219 2.109 0.700 9.944 1.00 1.62 H new ATOM 0 HD22 LEU A 219 2.988 -0.750 9.404 1.00 1.62 H new ATOM 0 HD23 LEU A 219 2.539 0.508 8.228 1.00 1.62 H new ATOM 207 N GLU A 220 0.811 -4.538 8.977 1.00 0.17 N ATOM 208 CA GLU A 220 0.224 -5.867 9.154 1.00 0.20 C ATOM 209 C GLU A 220 -0.471 -6.350 7.884 1.00 0.19 C ATOM 210 O GLU A 220 -1.062 -5.555 7.157 1.00 0.19 O ATOM 211 CB GLU A 220 -0.783 -5.823 10.307 1.00 0.23 C ATOM 212 CG GLU A 220 -1.875 -4.777 10.115 1.00 0.24 C ATOM 213 CD GLU A 220 -2.789 -4.650 11.313 1.00 0.75 C ATOM 214 OE1 GLU A 220 -3.495 -5.629 11.629 1.00 1.43 O ATOM 215 OE2 GLU A 220 -2.809 -3.576 11.950 1.00 1.12 O ATOM 0 H GLU A 220 0.612 -3.895 9.744 1.00 0.17 H new ATOM 0 HA GLU A 220 1.028 -6.567 9.380 1.00 0.20 H new ATOM 0 HB2 GLU A 220 -1.245 -6.805 10.414 1.00 0.23 H new ATOM 0 HB3 GLU A 220 -0.252 -5.617 11.236 1.00 0.23 H new ATOM 0 HG2 GLU A 220 -1.413 -3.811 9.913 1.00 0.24 H new ATOM 0 HG3 GLU A 220 -2.468 -5.036 9.238 1.00 0.24 H new ATOM 222 N PRO A 221 -0.362 -7.660 7.579 1.00 0.22 N ATOM 223 CA PRO A 221 -0.924 -8.261 6.354 1.00 0.23 C ATOM 224 C PRO A 221 -2.450 -8.241 6.302 1.00 0.20 C ATOM 225 O PRO A 221 -3.056 -9.053 5.605 1.00 0.19 O ATOM 226 CB PRO A 221 -0.419 -9.706 6.395 1.00 0.29 C ATOM 227 CG PRO A 221 -0.094 -9.961 7.825 1.00 0.57 C ATOM 228 CD PRO A 221 0.376 -8.649 8.381 1.00 0.26 C ATOM 0 HA PRO A 221 -0.615 -7.700 5.472 1.00 0.23 H new ATOM 0 HB2 PRO A 221 -1.178 -10.400 6.033 1.00 0.29 H new ATOM 0 HB3 PRO A 221 0.459 -9.835 5.762 1.00 0.29 H new ATOM 0 HG2 PRO A 221 -0.968 -10.323 8.366 1.00 0.57 H new ATOM 0 HG3 PRO A 221 0.678 -10.724 7.920 1.00 0.57 H new ATOM 0 HD2 PRO A 221 0.148 -8.557 9.443 1.00 0.26 H new ATOM 0 HD3 PRO A 221 1.454 -8.530 8.275 1.00 0.26 H new ATOM 236 N ALA A 222 -3.043 -7.215 6.889 1.00 0.20 N ATOM 237 CA ALA A 222 -4.473 -6.999 6.818 1.00 0.19 C ATOM 238 C ALA A 222 -4.791 -5.521 6.962 1.00 0.15 C ATOM 239 O ALA A 222 -5.165 -5.052 8.039 1.00 0.17 O ATOM 240 CB ALA A 222 -5.204 -7.798 7.881 1.00 0.24 C ATOM 0 H ALA A 222 -2.543 -6.509 7.429 1.00 0.20 H new ATOM 0 HA ALA A 222 -4.816 -7.343 5.842 1.00 0.19 H new ATOM 0 HB1 ALA A 222 -6.275 -7.614 7.802 1.00 0.24 H new ATOM 0 HB2 ALA A 222 -5.006 -8.860 7.738 1.00 0.24 H new ATOM 0 HB3 ALA A 222 -4.856 -7.494 8.868 1.00 0.24 H new ATOM 246 N TYR A 223 -4.716 -4.812 5.852 1.00 0.12 N ATOM 247 CA TYR A 223 -5.093 -3.412 5.818 1.00 0.11 C ATOM 248 C TYR A 223 -6.614 -3.323 5.785 1.00 0.13 C ATOM 249 O TYR A 223 -7.272 -4.142 5.142 1.00 0.17 O ATOM 250 CB TYR A 223 -4.509 -2.711 4.579 1.00 0.12 C ATOM 251 CG TYR A 223 -3.002 -2.501 4.576 1.00 0.12 C ATOM 252 CD1 TYR A 223 -2.148 -3.304 5.321 1.00 0.16 C ATOM 253 CD2 TYR A 223 -2.434 -1.494 3.801 1.00 0.18 C ATOM 254 CE1 TYR A 223 -0.778 -3.109 5.291 1.00 0.18 C ATOM 255 CE2 TYR A 223 -1.064 -1.303 3.765 1.00 0.20 C ATOM 256 CZ TYR A 223 -0.245 -2.109 4.510 1.00 0.16 C ATOM 257 OH TYR A 223 1.121 -1.918 4.460 1.00 0.21 O ATOM 0 H TYR A 223 -4.396 -5.185 4.958 1.00 0.12 H new ATOM 0 HA TYR A 223 -4.698 -2.914 6.704 1.00 0.11 H new ATOM 0 HB2 TYR A 223 -4.776 -3.294 3.698 1.00 0.12 H new ATOM 0 HB3 TYR A 223 -4.991 -1.739 4.476 1.00 0.12 H new ATOM 0 HD1 TYR A 223 -2.559 -4.093 5.933 1.00 0.16 H new ATOM 0 HD2 TYR A 223 -3.074 -0.850 3.217 1.00 0.18 H new ATOM 0 HE1 TYR A 223 -0.129 -3.740 5.879 1.00 0.18 H new ATOM 0 HE2 TYR A 223 -0.642 -0.521 3.151 1.00 0.20 H new ATOM 0 HH TYR A 223 1.325 -0.972 4.615 1.00 0.21 H new ATOM 267 N GLN A 224 -7.176 -2.399 6.543 1.00 0.15 N ATOM 268 CA GLN A 224 -8.622 -2.262 6.617 1.00 0.18 C ATOM 269 C GLN A 224 -9.050 -0.874 6.168 1.00 0.17 C ATOM 270 O GLN A 224 -8.737 0.121 6.828 1.00 0.22 O ATOM 271 CB GLN A 224 -9.109 -2.525 8.043 1.00 0.26 C ATOM 272 CG GLN A 224 -8.802 -3.927 8.542 1.00 0.34 C ATOM 273 CD GLN A 224 -9.199 -4.126 9.989 1.00 0.61 C ATOM 274 OE1 GLN A 224 -8.713 -3.428 10.880 1.00 1.42 O ATOM 275 NE2 GLN A 224 -10.084 -5.078 10.235 1.00 0.99 N ATOM 0 H GLN A 224 -6.656 -1.733 7.115 1.00 0.15 H new ATOM 0 HA GLN A 224 -9.071 -2.998 5.950 1.00 0.18 H new ATOM 0 HB2 GLN A 224 -8.649 -1.800 8.715 1.00 0.26 H new ATOM 0 HB3 GLN A 224 -10.186 -2.361 8.086 1.00 0.26 H new ATOM 0 HG2 GLN A 224 -9.327 -4.653 7.921 1.00 0.34 H new ATOM 0 HG3 GLN A 224 -7.736 -4.124 8.431 1.00 0.34 H new ATOM 0 HE21 GLN A 224 -10.462 -5.634 9.468 1.00 0.99 H new ATOM 0 HE22 GLN A 224 -10.388 -5.256 11.192 1.00 0.99 H new ATOM 284 N VAL A 225 -9.731 -0.799 5.029 1.00 0.16 N ATOM 285 CA VAL A 225 -10.182 0.487 4.510 1.00 0.18 C ATOM 286 C VAL A 225 -11.297 1.033 5.366 1.00 0.24 C ATOM 287 O VAL A 225 -12.380 0.478 5.363 1.00 0.30 O ATOM 288 CB VAL A 225 -10.759 0.416 3.077 1.00 0.28 C ATOM 289 CG1 VAL A 225 -10.929 1.818 2.508 1.00 0.77 C ATOM 290 CG2 VAL A 225 -9.912 -0.425 2.154 1.00 0.77 C ATOM 0 H VAL A 225 -9.980 -1.603 4.454 1.00 0.16 H new ATOM 0 HA VAL A 225 -9.291 1.115 4.513 1.00 0.18 H new ATOM 0 HB VAL A 225 -11.733 -0.069 3.147 1.00 0.28 H new ATOM 0 HG11 VAL A 225 -11.336 1.754 1.499 1.00 0.77 H new ATOM 0 HG12 VAL A 225 -11.612 2.387 3.139 1.00 0.77 H new ATOM 0 HG13 VAL A 225 -9.961 2.318 2.478 1.00 0.77 H new ATOM 0 HG21 VAL A 225 -10.362 -0.441 1.161 1.00 0.77 H new ATOM 0 HG22 VAL A 225 -8.910 -0.000 2.091 1.00 0.77 H new ATOM 0 HG23 VAL A 225 -9.851 -1.442 2.542 1.00 0.77 H new ATOM 300 N SER A 226 -11.160 2.258 5.798 1.00 0.26 N ATOM 301 CA SER A 226 -12.331 2.960 6.260 1.00 0.33 C ATOM 302 C SER A 226 -13.073 3.413 5.009 1.00 0.32 C ATOM 303 O SER A 226 -12.514 4.172 4.220 1.00 0.32 O ATOM 304 CB SER A 226 -11.938 4.142 7.138 1.00 0.42 C ATOM 305 OG SER A 226 -13.078 4.787 7.690 1.00 1.20 O ATOM 0 H SER A 226 -10.283 2.777 5.841 1.00 0.26 H new ATOM 0 HA SER A 226 -12.966 2.322 6.875 1.00 0.33 H new ATOM 0 HB2 SER A 226 -11.289 3.798 7.943 1.00 0.42 H new ATOM 0 HB3 SER A 226 -11.364 4.858 6.550 1.00 0.42 H new ATOM 0 HG SER A 226 -12.903 5.748 7.771 1.00 1.20 H new ATOM 311 N LYS A 227 -14.111 2.659 4.657 1.00 0.34 N ATOM 312 CA LYS A 227 -14.709 2.749 3.323 1.00 0.37 C ATOM 313 C LYS A 227 -14.899 4.193 2.865 1.00 0.42 C ATOM 314 O LYS A 227 -15.498 5.013 3.564 1.00 0.48 O ATOM 315 CB LYS A 227 -16.054 2.012 3.267 1.00 0.44 C ATOM 316 CG LYS A 227 -17.188 2.734 3.979 1.00 0.95 C ATOM 317 CD LYS A 227 -18.493 2.681 3.197 1.00 0.93 C ATOM 318 CE LYS A 227 -19.037 1.268 3.090 1.00 0.96 C ATOM 319 NZ LYS A 227 -20.415 1.238 2.535 1.00 1.54 N ATOM 0 H LYS A 227 -14.557 1.980 5.274 1.00 0.34 H new ATOM 0 HA LYS A 227 -14.006 2.270 2.642 1.00 0.37 H new ATOM 0 HB2 LYS A 227 -16.331 1.863 2.223 1.00 0.44 H new ATOM 0 HB3 LYS A 227 -15.933 1.023 3.709 1.00 0.44 H new ATOM 0 HG2 LYS A 227 -17.339 2.288 4.962 1.00 0.95 H new ATOM 0 HG3 LYS A 227 -16.907 3.775 4.141 1.00 0.95 H new ATOM 0 HD2 LYS A 227 -19.232 3.318 3.683 1.00 0.93 H new ATOM 0 HD3 LYS A 227 -18.333 3.084 2.197 1.00 0.93 H new ATOM 0 HE2 LYS A 227 -18.379 0.674 2.456 1.00 0.96 H new ATOM 0 HE3 LYS A 227 -19.034 0.804 4.076 1.00 0.96 H new ATOM 0 HZ1 LYS A 227 -20.746 0.254 2.480 1.00 1.54 H new ATOM 0 HZ2 LYS A 227 -21.050 1.783 3.153 1.00 1.54 H new ATOM 0 HZ3 LYS A 227 -20.415 1.657 1.583 1.00 1.54 H new ATOM 333 N GLY A 228 -14.344 4.501 1.699 1.00 0.46 N ATOM 334 CA GLY A 228 -14.471 5.836 1.137 1.00 0.57 C ATOM 335 C GLY A 228 -13.661 6.887 1.879 1.00 0.57 C ATOM 336 O GLY A 228 -13.494 8.005 1.393 1.00 0.70 O ATOM 0 H GLY A 228 -13.806 3.848 1.129 1.00 0.46 H new ATOM 0 HA2 GLY A 228 -14.154 5.814 0.094 1.00 0.57 H new ATOM 0 HA3 GLY A 228 -15.522 6.126 1.145 1.00 0.57 H new ATOM 340 N HIS A 229 -13.121 6.515 3.030 1.00 0.47 N ATOM 341 CA HIS A 229 -12.297 7.417 3.824 1.00 0.53 C ATOM 342 C HIS A 229 -10.879 7.413 3.278 1.00 0.54 C ATOM 343 O HIS A 229 -9.999 8.103 3.794 1.00 1.02 O ATOM 344 CB HIS A 229 -12.303 6.982 5.292 1.00 0.55 C ATOM 345 CG HIS A 229 -11.860 8.040 6.261 1.00 1.32 C ATOM 346 ND1 HIS A 229 -11.696 7.799 7.609 1.00 1.94 N ATOM 347 CD2 HIS A 229 -11.579 9.353 6.081 1.00 2.31 C ATOM 348 CE1 HIS A 229 -11.336 8.917 8.211 1.00 2.66 C ATOM 349 NE2 HIS A 229 -11.257 9.876 7.309 1.00 2.89 N ATOM 0 H HIS A 229 -13.239 5.588 3.438 1.00 0.47 H new ATOM 0 HA HIS A 229 -12.703 8.427 3.763 1.00 0.53 H new ATOM 0 HB2 HIS A 229 -13.311 6.663 5.558 1.00 0.55 H new ATOM 0 HB3 HIS A 229 -11.654 6.113 5.402 1.00 0.55 H new ATOM 0 HD2 HIS A 229 -11.604 9.890 5.144 1.00 2.31 H new ATOM 0 HE1 HIS A 229 -11.139 9.028 9.267 1.00 2.66 H new ATOM 0 HE2 HIS A 229 -10.999 10.846 7.493 1.00 2.89 H new ATOM 358 N LYS A 230 -10.686 6.598 2.238 1.00 0.30 N ATOM 359 CA LYS A 230 -9.400 6.439 1.570 1.00 0.28 C ATOM 360 C LYS A 230 -8.424 5.696 2.472 1.00 0.24 C ATOM 361 O LYS A 230 -7.931 6.257 3.451 1.00 0.28 O ATOM 362 CB LYS A 230 -8.802 7.802 1.187 1.00 0.36 C ATOM 363 CG LYS A 230 -9.770 8.727 0.465 1.00 1.00 C ATOM 364 CD LYS A 230 -9.157 10.097 0.235 1.00 1.23 C ATOM 365 CE LYS A 230 -10.117 11.021 -0.494 1.00 1.65 C ATOM 366 NZ LYS A 230 -9.500 12.342 -0.783 1.00 2.24 N ATOM 0 H LYS A 230 -11.428 6.026 1.835 1.00 0.30 H new ATOM 0 HA LYS A 230 -9.568 5.862 0.660 1.00 0.28 H new ATOM 0 HB2 LYS A 230 -8.449 8.298 2.091 1.00 0.36 H new ATOM 0 HB3 LYS A 230 -7.931 7.639 0.552 1.00 0.36 H new ATOM 0 HG2 LYS A 230 -10.052 8.287 -0.492 1.00 1.00 H new ATOM 0 HG3 LYS A 230 -10.684 8.829 1.050 1.00 1.00 H new ATOM 0 HD2 LYS A 230 -8.882 10.539 1.193 1.00 1.23 H new ATOM 0 HD3 LYS A 230 -8.239 9.994 -0.344 1.00 1.23 H new ATOM 0 HE2 LYS A 230 -10.432 10.555 -1.428 1.00 1.65 H new ATOM 0 HE3 LYS A 230 -11.014 11.163 0.109 1.00 1.65 H new ATOM 0 HZ1 LYS A 230 -10.186 12.944 -1.281 1.00 2.24 H new ATOM 0 HZ2 LYS A 230 -9.223 12.798 0.109 1.00 2.24 H new ATOM 0 HZ3 LYS A 230 -8.659 12.209 -1.380 1.00 2.24 H new ATOM 380 N ILE A 231 -8.140 4.434 2.169 1.00 0.20 N ATOM 381 CA ILE A 231 -7.229 3.692 3.033 1.00 0.17 C ATOM 382 C ILE A 231 -5.776 3.939 2.641 1.00 0.16 C ATOM 383 O ILE A 231 -5.415 3.945 1.467 1.00 0.17 O ATOM 384 CB ILE A 231 -7.486 2.170 3.055 1.00 0.16 C ATOM 385 CG1 ILE A 231 -6.498 1.514 4.024 1.00 0.17 C ATOM 386 CG2 ILE A 231 -7.331 1.577 1.666 1.00 0.18 C ATOM 387 CD1 ILE A 231 -6.623 0.019 4.136 1.00 0.19 C ATOM 0 H ILE A 231 -8.508 3.921 1.368 1.00 0.20 H new ATOM 0 HA ILE A 231 -7.423 4.071 4.036 1.00 0.17 H new ATOM 0 HB ILE A 231 -8.507 1.983 3.386 1.00 0.16 H new ATOM 0 HG12 ILE A 231 -5.484 1.757 3.707 1.00 0.17 H new ATOM 0 HG13 ILE A 231 -6.636 1.951 5.013 1.00 0.17 H new ATOM 0 HG21 ILE A 231 -7.517 0.504 1.706 1.00 0.18 H new ATOM 0 HG22 ILE A 231 -8.046 2.044 0.989 1.00 0.18 H new ATOM 0 HG23 ILE A 231 -6.319 1.757 1.304 1.00 0.18 H new ATOM 0 HD11 ILE A 231 -5.884 -0.356 4.844 1.00 0.19 H new ATOM 0 HD12 ILE A 231 -7.623 -0.237 4.486 1.00 0.19 H new ATOM 0 HD13 ILE A 231 -6.453 -0.434 3.160 1.00 0.19 H new ATOM 399 N ARG A 232 -4.960 4.180 3.646 1.00 0.17 N ATOM 400 CA ARG A 232 -3.549 4.443 3.461 1.00 0.17 C ATOM 401 C ARG A 232 -2.740 3.160 3.591 1.00 0.15 C ATOM 402 O ARG A 232 -2.920 2.415 4.555 1.00 0.19 O ATOM 403 CB ARG A 232 -3.099 5.461 4.505 1.00 0.22 C ATOM 404 CG ARG A 232 -3.549 6.878 4.198 1.00 0.34 C ATOM 405 CD ARG A 232 -3.059 7.859 5.252 1.00 0.77 C ATOM 406 NE ARG A 232 -3.232 9.250 4.835 1.00 1.44 N ATOM 407 CZ ARG A 232 -4.414 9.848 4.651 1.00 2.13 C ATOM 408 NH1 ARG A 232 -5.550 9.190 4.871 1.00 2.48 N ATOM 409 NH2 ARG A 232 -4.457 11.115 4.261 1.00 3.14 N ATOM 0 H ARG A 232 -5.260 4.199 4.621 1.00 0.17 H new ATOM 0 HA ARG A 232 -3.383 4.842 2.460 1.00 0.17 H new ATOM 0 HB2 ARG A 232 -3.488 5.167 5.480 1.00 0.22 H new ATOM 0 HB3 ARG A 232 -2.012 5.440 4.577 1.00 0.22 H new ATOM 0 HG2 ARG A 232 -3.173 7.176 3.219 1.00 0.34 H new ATOM 0 HG3 ARG A 232 -4.637 6.912 4.146 1.00 0.34 H new ATOM 0 HD2 ARG A 232 -3.601 7.690 6.183 1.00 0.77 H new ATOM 0 HD3 ARG A 232 -2.005 7.672 5.458 1.00 0.77 H new ATOM 0 HE ARG A 232 -2.391 9.804 4.673 1.00 1.44 H new ATOM 0 HH11 ARG A 232 -5.525 8.219 5.183 1.00 2.48 H new ATOM 0 HH12 ARG A 232 -6.446 9.656 4.727 1.00 2.48 H new ATOM 0 HH21 ARG A 232 -3.591 11.630 4.103 1.00 3.14 H new ATOM 0 HH22 ARG A 232 -5.356 11.575 4.119 1.00 3.14 H new ATOM 423 N LEU A 233 -1.808 2.915 2.668 1.00 0.13 N ATOM 424 CA LEU A 233 -0.957 1.761 2.784 1.00 0.14 C ATOM 425 C LEU A 233 0.319 2.198 3.452 1.00 0.13 C ATOM 426 O LEU A 233 1.203 2.752 2.805 1.00 0.13 O ATOM 427 CB LEU A 233 -0.683 1.152 1.400 1.00 0.15 C ATOM 428 CG LEU A 233 -1.768 0.194 0.874 1.00 0.17 C ATOM 429 CD1 LEU A 233 -3.120 0.885 0.767 1.00 0.18 C ATOM 430 CD2 LEU A 233 -1.372 -0.376 -0.475 1.00 0.23 C ATOM 0 H LEU A 233 -1.635 3.498 1.849 1.00 0.13 H new ATOM 0 HA LEU A 233 -1.440 0.987 3.381 1.00 0.14 H new ATOM 0 HB2 LEU A 233 -0.560 1.963 0.683 1.00 0.15 H new ATOM 0 HB3 LEU A 233 0.264 0.615 1.439 1.00 0.15 H new ATOM 0 HG LEU A 233 -1.858 -0.621 1.593 1.00 0.17 H new ATOM 0 HD11 LEU A 233 -3.861 0.179 0.393 1.00 0.18 H new ATOM 0 HD12 LEU A 233 -3.424 1.243 1.750 1.00 0.18 H new ATOM 0 HD13 LEU A 233 -3.044 1.729 0.081 1.00 0.18 H new ATOM 0 HD21 LEU A 233 -2.152 -1.050 -0.828 1.00 0.23 H new ATOM 0 HD22 LEU A 233 -1.243 0.437 -1.190 1.00 0.23 H new ATOM 0 HD23 LEU A 233 -0.435 -0.925 -0.377 1.00 0.23 H new ATOM 442 N THR A 234 0.329 2.101 4.767 1.00 0.14 N ATOM 443 CA THR A 234 1.417 2.634 5.555 1.00 0.16 C ATOM 444 C THR A 234 2.474 1.573 5.799 1.00 0.16 C ATOM 445 O THR A 234 2.165 0.389 5.939 1.00 0.22 O ATOM 446 CB THR A 234 0.904 3.206 6.891 1.00 0.22 C ATOM 447 OG1 THR A 234 -0.108 4.193 6.629 1.00 0.33 O ATOM 448 CG2 THR A 234 2.034 3.838 7.697 1.00 0.24 C ATOM 0 H THR A 234 -0.409 1.655 5.312 1.00 0.14 H new ATOM 0 HA THR A 234 1.872 3.448 4.991 1.00 0.16 H new ATOM 0 HB THR A 234 0.488 2.386 7.476 1.00 0.22 H new ATOM 0 HG1 THR A 234 -0.437 4.557 7.477 1.00 0.33 H new ATOM 0 HG21 THR A 234 1.637 4.231 8.633 1.00 0.24 H new ATOM 0 HG22 THR A 234 2.793 3.085 7.912 1.00 0.24 H new ATOM 0 HG23 THR A 234 2.481 4.650 7.123 1.00 0.24 H new ATOM 456 N VAL A 235 3.716 1.996 5.692 1.00 0.14 N ATOM 457 CA VAL A 235 4.865 1.121 5.792 1.00 0.14 C ATOM 458 C VAL A 235 6.036 1.917 6.338 1.00 0.14 C ATOM 459 O VAL A 235 6.168 3.093 6.045 1.00 0.16 O ATOM 460 CB VAL A 235 5.259 0.553 4.411 1.00 0.14 C ATOM 461 CG1 VAL A 235 4.171 -0.336 3.848 1.00 0.15 C ATOM 462 CG2 VAL A 235 5.531 1.687 3.451 1.00 0.14 C ATOM 0 H VAL A 235 3.959 2.973 5.530 1.00 0.14 H new ATOM 0 HA VAL A 235 4.611 0.290 6.451 1.00 0.14 H new ATOM 0 HB VAL A 235 6.159 -0.049 4.539 1.00 0.14 H new ATOM 0 HG11 VAL A 235 4.481 -0.719 2.876 1.00 0.15 H new ATOM 0 HG12 VAL A 235 3.995 -1.170 4.527 1.00 0.15 H new ATOM 0 HG13 VAL A 235 3.253 0.240 3.735 1.00 0.15 H new ATOM 0 HG21 VAL A 235 5.809 1.281 2.478 1.00 0.14 H new ATOM 0 HG22 VAL A 235 4.635 2.298 3.347 1.00 0.14 H new ATOM 0 HG23 VAL A 235 6.346 2.301 3.834 1.00 0.14 H new ATOM 472 N GLU A 236 6.946 1.265 7.012 1.00 0.13 N ATOM 473 CA GLU A 236 8.163 1.917 7.413 1.00 0.13 C ATOM 474 C GLU A 236 9.183 1.653 6.331 1.00 0.13 C ATOM 475 O GLU A 236 9.502 0.508 6.066 1.00 0.17 O ATOM 476 CB GLU A 236 8.637 1.362 8.756 1.00 0.18 C ATOM 477 CG GLU A 236 9.746 2.170 9.402 1.00 0.29 C ATOM 478 CD GLU A 236 10.005 1.737 10.830 1.00 0.54 C ATOM 479 OE1 GLU A 236 9.114 1.916 11.684 1.00 1.05 O ATOM 480 OE2 GLU A 236 11.105 1.221 11.105 1.00 1.18 O ATOM 0 H GLU A 236 6.868 0.288 7.294 1.00 0.13 H new ATOM 0 HA GLU A 236 8.013 2.989 7.539 1.00 0.13 H new ATOM 0 HB2 GLU A 236 7.789 1.318 9.439 1.00 0.18 H new ATOM 0 HB3 GLU A 236 8.984 0.339 8.612 1.00 0.18 H new ATOM 0 HG2 GLU A 236 10.660 2.062 8.819 1.00 0.29 H new ATOM 0 HG3 GLU A 236 9.481 3.227 9.386 1.00 0.29 H new ATOM 487 N LEU A 237 9.525 2.672 5.570 1.00 0.13 N ATOM 488 CA LEU A 237 10.394 2.481 4.421 1.00 0.15 C ATOM 489 C LEU A 237 11.841 2.359 4.850 1.00 0.17 C ATOM 490 O LEU A 237 12.257 2.976 5.817 1.00 0.19 O ATOM 491 CB LEU A 237 10.262 3.633 3.422 1.00 0.17 C ATOM 492 CG LEU A 237 9.451 3.327 2.162 1.00 0.23 C ATOM 493 CD1 LEU A 237 9.510 4.502 1.201 1.00 0.44 C ATOM 494 CD2 LEU A 237 9.957 2.062 1.483 1.00 0.55 C ATOM 0 H LEU A 237 9.219 3.633 5.722 1.00 0.13 H new ATOM 0 HA LEU A 237 10.082 1.556 3.936 1.00 0.15 H new ATOM 0 HB2 LEU A 237 9.803 4.480 3.931 1.00 0.17 H new ATOM 0 HB3 LEU A 237 11.262 3.946 3.121 1.00 0.17 H new ATOM 0 HG LEU A 237 8.414 3.163 2.455 1.00 0.23 H new ATOM 0 HD11 LEU A 237 8.929 4.271 0.308 1.00 0.44 H new ATOM 0 HD12 LEU A 237 9.097 5.388 1.684 1.00 0.44 H new ATOM 0 HD13 LEU A 237 10.546 4.691 0.921 1.00 0.44 H new ATOM 0 HD21 LEU A 237 9.364 1.866 0.590 1.00 0.55 H new ATOM 0 HD22 LEU A 237 11.002 2.193 1.203 1.00 0.55 H new ATOM 0 HD23 LEU A 237 9.868 1.220 2.169 1.00 0.55 H new ATOM 506 N ALA A 238 12.610 1.634 4.066 1.00 0.19 N ATOM 507 CA ALA A 238 14.051 1.573 4.241 1.00 0.21 C ATOM 508 C ALA A 238 14.682 2.692 3.429 1.00 0.23 C ATOM 509 O ALA A 238 15.671 3.308 3.823 1.00 0.28 O ATOM 510 CB ALA A 238 14.572 0.230 3.773 1.00 0.25 C ATOM 0 H ALA A 238 12.259 1.071 3.291 1.00 0.19 H new ATOM 0 HA ALA A 238 14.305 1.691 5.294 1.00 0.21 H new ATOM 0 HB1 ALA A 238 15.653 0.192 3.907 1.00 0.25 H new ATOM 0 HB2 ALA A 238 14.106 -0.564 4.356 1.00 0.25 H new ATOM 0 HB3 ALA A 238 14.333 0.094 2.718 1.00 0.25 H new ATOM 516 N ASP A 239 14.067 2.938 2.282 1.00 0.22 N ATOM 517 CA ASP A 239 14.504 3.976 1.351 1.00 0.25 C ATOM 518 C ASP A 239 14.114 5.357 1.843 1.00 0.25 C ATOM 519 O ASP A 239 14.875 6.313 1.703 1.00 0.34 O ATOM 520 CB ASP A 239 13.889 3.743 -0.023 1.00 0.31 C ATOM 521 CG ASP A 239 14.585 2.641 -0.798 1.00 0.63 C ATOM 522 OD1 ASP A 239 15.594 2.107 -0.300 1.00 1.28 O ATOM 523 OD2 ASP A 239 14.110 2.287 -1.897 1.00 1.19 O ATOM 0 H ASP A 239 13.246 2.422 1.966 1.00 0.22 H new ATOM 0 HA ASP A 239 15.591 3.923 1.284 1.00 0.25 H new ATOM 0 HB2 ASP A 239 12.835 3.489 0.094 1.00 0.31 H new ATOM 0 HB3 ASP A 239 13.932 4.668 -0.597 1.00 0.31 H new ATOM 528 N HIS A 240 12.900 5.445 2.387 1.00 0.27 N ATOM 529 CA HIS A 240 12.332 6.691 2.918 1.00 0.39 C ATOM 530 C HIS A 240 11.890 7.628 1.797 1.00 0.47 C ATOM 531 O HIS A 240 10.694 7.816 1.567 1.00 0.70 O ATOM 532 CB HIS A 240 13.326 7.431 3.830 1.00 0.46 C ATOM 533 CG HIS A 240 13.832 6.633 4.990 1.00 0.46 C ATOM 534 ND1 HIS A 240 13.664 5.330 5.319 1.00 0.56 N flip ATOM 535 CD2 HIS A 240 14.631 7.171 5.971 1.00 0.40 C flip ATOM 536 CE1 HIS A 240 14.359 5.111 6.482 1.00 0.57 C flip ATOM 537 NE2 HIS A 240 14.931 6.240 6.852 1.00 0.48 N flip ATOM 0 H HIS A 240 12.273 4.645 2.474 1.00 0.27 H new ATOM 0 HA HIS A 240 11.462 6.402 3.507 1.00 0.39 H new ATOM 0 HB2 HIS A 240 14.177 7.752 3.230 1.00 0.46 H new ATOM 0 HB3 HIS A 240 12.846 8.333 4.210 1.00 0.46 H new ATOM 0 HD1 HIS A 240 13.122 4.640 4.799 1.00 0.56 H new ATOM 0 HD2 HIS A 240 14.961 8.198 6.012 1.00 0.40 H new ATOM 0 HE1 HIS A 240 14.426 4.170 7.007 1.00 0.57 H new ATOM 546 N ASP A 241 12.860 8.227 1.122 1.00 0.41 N ATOM 547 CA ASP A 241 12.584 9.220 0.085 1.00 0.51 C ATOM 548 C ASP A 241 12.546 8.590 -1.292 1.00 0.44 C ATOM 549 O ASP A 241 12.987 9.179 -2.280 1.00 0.78 O ATOM 550 CB ASP A 241 13.626 10.339 0.130 1.00 0.80 C ATOM 551 CG ASP A 241 13.513 11.188 1.380 1.00 1.53 C ATOM 552 OD1 ASP A 241 12.562 11.994 1.476 1.00 2.22 O ATOM 553 OD2 ASP A 241 14.388 11.078 2.264 1.00 2.08 O ATOM 0 H ASP A 241 13.852 8.044 1.273 1.00 0.41 H new ATOM 0 HA ASP A 241 11.600 9.644 0.284 1.00 0.51 H new ATOM 0 HB2 ASP A 241 14.624 9.904 0.079 1.00 0.80 H new ATOM 0 HB3 ASP A 241 13.510 10.974 -0.748 1.00 0.80 H new ATOM 558 N ALA A 242 11.961 7.418 -1.358 1.00 0.33 N ATOM 559 CA ALA A 242 11.803 6.716 -2.613 1.00 0.30 C ATOM 560 C ALA A 242 10.336 6.615 -2.983 1.00 0.24 C ATOM 561 O ALA A 242 9.495 6.313 -2.131 1.00 0.28 O ATOM 562 CB ALA A 242 12.414 5.339 -2.507 1.00 0.38 C ATOM 0 H ALA A 242 11.582 6.925 -0.549 1.00 0.33 H new ATOM 0 HA ALA A 242 12.316 7.273 -3.397 1.00 0.30 H new ATOM 0 HB1 ALA A 242 12.293 4.813 -3.454 1.00 0.38 H new ATOM 0 HB2 ALA A 242 13.475 5.429 -2.275 1.00 0.38 H new ATOM 0 HB3 ALA A 242 11.915 4.780 -1.715 1.00 0.38 H new ATOM 568 N GLU A 243 10.036 6.827 -4.256 1.00 0.26 N ATOM 569 CA GLU A 243 8.674 6.690 -4.737 1.00 0.30 C ATOM 570 C GLU A 243 8.288 5.221 -4.732 1.00 0.25 C ATOM 571 O GLU A 243 8.937 4.393 -5.377 1.00 0.25 O ATOM 572 CB GLU A 243 8.530 7.270 -6.145 1.00 0.39 C ATOM 573 CG GLU A 243 9.015 8.705 -6.267 1.00 0.67 C ATOM 574 CD GLU A 243 8.689 9.326 -7.609 1.00 1.10 C ATOM 575 OE1 GLU A 243 9.068 8.748 -8.649 1.00 1.64 O ATOM 576 OE2 GLU A 243 8.070 10.411 -7.630 1.00 1.56 O ATOM 0 H GLU A 243 10.715 7.093 -4.969 1.00 0.26 H new ATOM 0 HA GLU A 243 8.009 7.246 -4.077 1.00 0.30 H new ATOM 0 HB2 GLU A 243 9.088 6.647 -6.844 1.00 0.39 H new ATOM 0 HB3 GLU A 243 7.482 7.223 -6.442 1.00 0.39 H new ATOM 0 HG2 GLU A 243 8.564 9.304 -5.476 1.00 0.67 H new ATOM 0 HG3 GLU A 243 10.094 8.733 -6.112 1.00 0.67 H new ATOM 583 N VAL A 244 7.267 4.896 -3.966 1.00 0.24 N ATOM 584 CA VAL A 244 6.840 3.518 -3.824 1.00 0.21 C ATOM 585 C VAL A 244 5.724 3.189 -4.802 1.00 0.20 C ATOM 586 O VAL A 244 4.744 3.928 -4.919 1.00 0.23 O ATOM 587 CB VAL A 244 6.374 3.213 -2.381 1.00 0.22 C ATOM 588 CG1 VAL A 244 7.565 3.221 -1.425 1.00 0.24 C ATOM 589 CG2 VAL A 244 5.304 4.214 -1.939 1.00 0.27 C ATOM 0 H VAL A 244 6.716 5.568 -3.431 1.00 0.24 H new ATOM 0 HA VAL A 244 7.704 2.892 -4.047 1.00 0.21 H new ATOM 0 HB VAL A 244 5.930 2.218 -2.360 1.00 0.22 H new ATOM 0 HG11 VAL A 244 7.221 3.005 -0.414 1.00 0.24 H new ATOM 0 HG12 VAL A 244 8.284 2.462 -1.734 1.00 0.24 H new ATOM 0 HG13 VAL A 244 8.041 4.201 -1.445 1.00 0.24 H new ATOM 0 HG21 VAL A 244 4.988 3.984 -0.921 1.00 0.27 H new ATOM 0 HG22 VAL A 244 5.714 5.223 -1.972 1.00 0.27 H new ATOM 0 HG23 VAL A 244 4.446 4.149 -2.608 1.00 0.27 H new ATOM 599 N LYS A 245 5.844 2.040 -5.438 1.00 0.18 N ATOM 600 CA LYS A 245 4.795 1.537 -6.298 1.00 0.19 C ATOM 601 C LYS A 245 4.148 0.364 -5.581 1.00 0.15 C ATOM 602 O LYS A 245 4.731 -0.183 -4.650 1.00 0.16 O ATOM 603 CB LYS A 245 5.374 1.118 -7.653 1.00 0.30 C ATOM 604 CG LYS A 245 4.354 1.075 -8.778 1.00 0.89 C ATOM 605 CD LYS A 245 5.014 0.828 -10.125 1.00 1.51 C ATOM 606 CE LYS A 245 5.591 -0.575 -10.227 1.00 2.00 C ATOM 607 NZ LYS A 245 4.527 -1.613 -10.290 1.00 2.79 N ATOM 0 H LYS A 245 6.663 1.436 -5.374 1.00 0.18 H new ATOM 0 HA LYS A 245 4.049 2.306 -6.498 1.00 0.19 H new ATOM 0 HB2 LYS A 245 6.170 1.811 -7.925 1.00 0.30 H new ATOM 0 HB3 LYS A 245 5.829 0.133 -7.552 1.00 0.30 H new ATOM 0 HG2 LYS A 245 3.626 0.288 -8.580 1.00 0.89 H new ATOM 0 HG3 LYS A 245 3.806 2.017 -8.808 1.00 0.89 H new ATOM 0 HD2 LYS A 245 4.283 0.978 -10.920 1.00 1.51 H new ATOM 0 HD3 LYS A 245 5.808 1.559 -10.279 1.00 1.51 H new ATOM 0 HE2 LYS A 245 6.219 -0.645 -11.115 1.00 2.00 H new ATOM 0 HE3 LYS A 245 6.233 -0.766 -9.367 1.00 2.00 H new ATOM 0 HZ1 LYS A 245 4.842 -2.397 -10.896 1.00 2.79 H new ATOM 0 HZ2 LYS A 245 4.335 -1.971 -9.333 1.00 2.79 H new ATOM 0 HZ3 LYS A 245 3.659 -1.197 -10.685 1.00 2.79 H new ATOM 621 N TRP A 246 2.892 0.103 -5.817 1.00 0.14 N ATOM 622 CA TRP A 246 2.232 -0.901 -5.005 1.00 0.13 C ATOM 623 C TRP A 246 1.555 -1.917 -5.890 1.00 0.14 C ATOM 624 O TRP A 246 1.683 -1.864 -7.105 1.00 0.14 O ATOM 625 CB TRP A 246 1.278 -0.276 -3.972 1.00 0.14 C ATOM 626 CG TRP A 246 1.974 0.664 -3.014 1.00 0.12 C ATOM 627 CD1 TRP A 246 2.545 1.862 -3.332 1.00 0.14 C ATOM 628 CD2 TRP A 246 2.196 0.495 -1.596 1.00 0.11 C ATOM 629 NE1 TRP A 246 3.088 2.440 -2.219 1.00 0.15 N ATOM 630 CE2 TRP A 246 2.900 1.630 -1.152 1.00 0.12 C ATOM 631 CE3 TRP A 246 1.881 -0.491 -0.656 1.00 0.13 C ATOM 632 CZ2 TRP A 246 3.282 1.812 0.168 1.00 0.14 C ATOM 633 CZ3 TRP A 246 2.271 -0.298 0.663 1.00 0.15 C ATOM 634 CH2 TRP A 246 2.965 0.843 1.054 1.00 0.15 C ATOM 0 H TRP A 246 2.317 0.547 -6.533 1.00 0.14 H new ATOM 0 HA TRP A 246 2.988 -1.424 -4.419 1.00 0.13 H new ATOM 0 HB2 TRP A 246 0.490 0.266 -4.495 1.00 0.14 H new ATOM 0 HB3 TRP A 246 0.795 -1.071 -3.405 1.00 0.14 H new ATOM 0 HD1 TRP A 246 2.565 2.292 -4.322 1.00 0.14 H new ATOM 0 HE1 TRP A 246 3.562 3.343 -2.196 1.00 0.15 H new ATOM 0 HE3 TRP A 246 1.346 -1.383 -0.949 1.00 0.13 H new ATOM 0 HZ2 TRP A 246 3.815 2.699 0.478 1.00 0.14 H new ATOM 0 HZ3 TRP A 246 2.031 -1.049 1.401 1.00 0.15 H new ATOM 0 HH2 TRP A 246 3.256 0.956 2.088 1.00 0.15 H new ATOM 645 N LEU A 247 1.137 -2.999 -5.309 1.00 0.15 N ATOM 646 CA LEU A 247 0.654 -4.111 -6.090 1.00 0.14 C ATOM 647 C LEU A 247 -0.721 -4.514 -5.581 1.00 0.15 C ATOM 648 O LEU A 247 -0.903 -4.693 -4.400 1.00 0.16 O ATOM 649 CB LEU A 247 1.649 -5.274 -5.954 1.00 0.15 C ATOM 650 CG LEU A 247 2.476 -5.672 -7.186 1.00 0.16 C ATOM 651 CD1 LEU A 247 1.799 -6.801 -7.942 1.00 0.21 C ATOM 652 CD2 LEU A 247 2.722 -4.486 -8.103 1.00 0.17 C ATOM 0 H LEU A 247 1.118 -3.142 -4.299 1.00 0.15 H new ATOM 0 HA LEU A 247 0.569 -3.838 -7.142 1.00 0.14 H new ATOM 0 HB2 LEU A 247 2.345 -5.024 -5.153 1.00 0.15 H new ATOM 0 HB3 LEU A 247 1.091 -6.153 -5.630 1.00 0.15 H new ATOM 0 HG LEU A 247 3.446 -6.021 -6.832 1.00 0.16 H new ATOM 0 HD11 LEU A 247 2.400 -7.069 -8.811 1.00 0.21 H new ATOM 0 HD12 LEU A 247 1.699 -7.668 -7.289 1.00 0.21 H new ATOM 0 HD13 LEU A 247 0.811 -6.478 -8.270 1.00 0.21 H new ATOM 0 HD21 LEU A 247 3.310 -4.807 -8.963 1.00 0.17 H new ATOM 0 HD22 LEU A 247 1.767 -4.086 -8.445 1.00 0.17 H new ATOM 0 HD23 LEU A 247 3.265 -3.713 -7.560 1.00 0.17 H new ATOM 664 N LYS A 248 -1.637 -4.795 -6.470 1.00 0.19 N ATOM 665 CA LYS A 248 -2.879 -5.425 -6.072 1.00 0.25 C ATOM 666 C LYS A 248 -2.669 -6.914 -6.236 1.00 0.25 C ATOM 667 O LYS A 248 -1.767 -7.297 -6.971 1.00 0.21 O ATOM 668 CB LYS A 248 -4.050 -4.965 -6.943 1.00 0.34 C ATOM 669 CG LYS A 248 -5.403 -5.409 -6.415 1.00 0.77 C ATOM 670 CD LYS A 248 -6.507 -5.176 -7.430 1.00 0.95 C ATOM 671 CE LYS A 248 -6.414 -6.155 -8.590 1.00 1.57 C ATOM 672 NZ LYS A 248 -7.541 -5.998 -9.547 1.00 2.06 N ATOM 0 H LYS A 248 -1.553 -4.602 -7.468 1.00 0.19 H new ATOM 0 HA LYS A 248 -3.128 -5.157 -5.045 1.00 0.25 H new ATOM 0 HB2 LYS A 248 -4.035 -3.877 -7.015 1.00 0.34 H new ATOM 0 HB3 LYS A 248 -3.917 -5.353 -7.953 1.00 0.34 H new ATOM 0 HG2 LYS A 248 -5.363 -6.467 -6.157 1.00 0.77 H new ATOM 0 HG3 LYS A 248 -5.632 -4.866 -5.498 1.00 0.77 H new ATOM 0 HD2 LYS A 248 -7.477 -5.278 -6.944 1.00 0.95 H new ATOM 0 HD3 LYS A 248 -6.446 -4.156 -7.808 1.00 0.95 H new ATOM 0 HE2 LYS A 248 -5.470 -6.006 -9.115 1.00 1.57 H new ATOM 0 HE3 LYS A 248 -6.406 -7.174 -8.204 1.00 1.57 H new ATOM 0 HZ1 LYS A 248 -7.184 -6.079 -10.520 1.00 2.06 H new ATOM 0 HZ2 LYS A 248 -8.248 -6.741 -9.375 1.00 2.06 H new ATOM 0 HZ3 LYS A 248 -7.980 -5.065 -9.416 1.00 2.06 H new ATOM 686 N ASN A 249 -3.315 -7.732 -5.422 1.00 0.34 N ATOM 687 CA ASN A 249 -3.045 -9.172 -5.439 1.00 0.40 C ATOM 688 C ASN A 249 -2.916 -9.683 -6.881 1.00 0.35 C ATOM 689 O ASN A 249 -3.859 -9.601 -7.669 1.00 0.35 O ATOM 690 CB ASN A 249 -4.127 -9.944 -4.665 1.00 0.61 C ATOM 691 CG ASN A 249 -5.490 -9.962 -5.341 1.00 0.75 C ATOM 692 OD1 ASN A 249 -6.354 -9.043 -4.950 1.00 1.38 O flip ATOM 693 ND2 ASN A 249 -5.764 -10.796 -6.205 1.00 1.19 N flip ATOM 0 H ASN A 249 -4.021 -7.436 -4.748 1.00 0.34 H new ATOM 0 HA ASN A 249 -2.094 -9.347 -4.937 1.00 0.40 H new ATOM 0 HB2 ASN A 249 -3.792 -10.971 -4.523 1.00 0.61 H new ATOM 0 HB3 ASN A 249 -4.232 -9.503 -3.674 1.00 0.61 H new ATOM 0 HD21 ASN A 249 -5.070 -11.491 -6.481 1.00 1.19 H new ATOM 0 HD22 ASN A 249 -6.685 -10.792 -6.644 1.00 1.19 H new ATOM 700 N GLY A 250 -1.674 -9.974 -7.271 1.00 0.35 N ATOM 701 CA GLY A 250 -1.369 -10.335 -8.649 1.00 0.35 C ATOM 702 C GLY A 250 -1.226 -9.149 -9.606 1.00 0.33 C ATOM 703 O GLY A 250 -0.378 -9.177 -10.496 1.00 0.39 O ATOM 0 H GLY A 250 -0.866 -9.966 -6.649 1.00 0.35 H new ATOM 0 HA2 GLY A 250 -0.442 -10.909 -8.663 1.00 0.35 H new ATOM 0 HA3 GLY A 250 -2.156 -10.991 -9.021 1.00 0.35 H new ATOM 707 N GLN A 251 -2.111 -8.163 -9.502 1.00 0.30 N ATOM 708 CA GLN A 251 -2.145 -7.045 -10.456 1.00 0.36 C ATOM 709 C GLN A 251 -1.261 -5.891 -9.986 1.00 0.25 C ATOM 710 O GLN A 251 -1.190 -5.608 -8.809 1.00 0.28 O ATOM 711 CB GLN A 251 -3.584 -6.567 -10.624 1.00 0.52 C ATOM 712 CG GLN A 251 -3.827 -5.724 -11.864 1.00 1.28 C ATOM 713 CD GLN A 251 -5.285 -5.325 -12.001 1.00 2.00 C ATOM 714 OE1 GLN A 251 -6.175 -6.176 -12.026 1.00 2.77 O ATOM 715 NE2 GLN A 251 -5.545 -4.033 -12.087 1.00 2.59 N ATOM 0 H GLN A 251 -2.817 -8.110 -8.768 1.00 0.30 H new ATOM 0 HA GLN A 251 -1.759 -7.394 -11.414 1.00 0.36 H new ATOM 0 HB2 GLN A 251 -4.241 -7.436 -10.657 1.00 0.52 H new ATOM 0 HB3 GLN A 251 -3.866 -5.987 -9.745 1.00 0.52 H new ATOM 0 HG2 GLN A 251 -3.208 -4.828 -11.821 1.00 1.28 H new ATOM 0 HG3 GLN A 251 -3.519 -6.282 -12.748 1.00 1.28 H new ATOM 0 HE21 GLN A 251 -4.782 -3.357 -12.063 1.00 2.59 H new ATOM 0 HE22 GLN A 251 -6.509 -3.712 -12.178 1.00 2.59 H new ATOM 724 N GLU A 252 -0.541 -5.253 -10.887 1.00 0.26 N ATOM 725 CA GLU A 252 0.386 -4.204 -10.480 1.00 0.25 C ATOM 726 C GLU A 252 -0.298 -2.857 -10.274 1.00 0.27 C ATOM 727 O GLU A 252 -1.202 -2.484 -11.017 1.00 0.32 O ATOM 728 CB GLU A 252 1.526 -4.101 -11.473 1.00 0.32 C ATOM 729 CG GLU A 252 2.355 -5.366 -11.502 1.00 0.60 C ATOM 730 CD GLU A 252 3.628 -5.199 -12.290 1.00 1.05 C ATOM 731 OE1 GLU A 252 4.433 -4.309 -11.950 1.00 1.60 O ATOM 732 OE2 GLU A 252 3.836 -5.963 -13.254 1.00 1.49 O ATOM 0 H GLU A 252 -0.574 -5.434 -11.890 1.00 0.26 H new ATOM 0 HA GLU A 252 0.790 -4.486 -9.508 1.00 0.25 H new ATOM 0 HB2 GLU A 252 1.126 -3.904 -12.468 1.00 0.32 H new ATOM 0 HB3 GLU A 252 2.161 -3.255 -11.212 1.00 0.32 H new ATOM 0 HG2 GLU A 252 2.598 -5.661 -10.481 1.00 0.60 H new ATOM 0 HG3 GLU A 252 1.766 -6.174 -11.936 1.00 0.60 H new ATOM 739 N ILE A 253 0.080 -2.180 -9.193 1.00 0.23 N ATOM 740 CA ILE A 253 -0.547 -0.926 -8.802 1.00 0.27 C ATOM 741 C ILE A 253 0.426 0.258 -8.934 1.00 0.28 C ATOM 742 O ILE A 253 1.476 0.319 -8.272 1.00 0.28 O ATOM 743 CB ILE A 253 -1.108 -1.060 -7.363 1.00 0.26 C ATOM 744 CG1 ILE A 253 -2.541 -1.588 -7.403 1.00 0.31 C ATOM 745 CG2 ILE A 253 -1.030 0.233 -6.573 1.00 0.28 C ATOM 746 CD1 ILE A 253 -3.113 -1.855 -6.032 1.00 0.33 C ATOM 0 H ILE A 253 0.826 -2.485 -8.568 1.00 0.23 H new ATOM 0 HA ILE A 253 -1.375 -0.716 -9.479 1.00 0.27 H new ATOM 0 HB ILE A 253 -0.474 -1.776 -6.839 1.00 0.26 H new ATOM 0 HG12 ILE A 253 -3.173 -0.866 -7.919 1.00 0.31 H new ATOM 0 HG13 ILE A 253 -2.566 -2.509 -7.986 1.00 0.31 H new ATOM 0 HG21 ILE A 253 -1.438 0.075 -5.575 1.00 0.28 H new ATOM 0 HG22 ILE A 253 0.010 0.549 -6.494 1.00 0.28 H new ATOM 0 HG23 ILE A 253 -1.606 1.006 -7.082 1.00 0.28 H new ATOM 0 HD11 ILE A 253 -4.133 -2.228 -6.129 1.00 0.33 H new ATOM 0 HD12 ILE A 253 -2.502 -2.599 -5.521 1.00 0.33 H new ATOM 0 HD13 ILE A 253 -3.118 -0.931 -5.454 1.00 0.33 H new ATOM 758 N GLN A 254 0.094 1.172 -9.839 1.00 0.36 N ATOM 759 CA GLN A 254 0.940 2.324 -10.120 1.00 0.43 C ATOM 760 C GLN A 254 0.794 3.394 -9.035 1.00 0.61 C ATOM 761 O GLN A 254 0.803 3.095 -7.841 1.00 1.42 O ATOM 762 CB GLN A 254 0.589 2.917 -11.489 1.00 0.70 C ATOM 763 CG GLN A 254 0.686 1.929 -12.639 1.00 1.00 C ATOM 764 CD GLN A 254 0.336 2.564 -13.972 1.00 1.75 C ATOM 765 OE1 GLN A 254 -0.783 3.041 -14.173 1.00 2.63 O ATOM 766 NE2 GLN A 254 1.289 2.586 -14.888 1.00 2.21 N ATOM 0 H GLN A 254 -0.761 1.136 -10.394 1.00 0.36 H new ATOM 0 HA GLN A 254 1.976 1.986 -10.130 1.00 0.43 H new ATOM 0 HB2 GLN A 254 -0.425 3.315 -11.451 1.00 0.70 H new ATOM 0 HB3 GLN A 254 1.254 3.757 -11.690 1.00 0.70 H new ATOM 0 HG2 GLN A 254 1.698 1.526 -12.685 1.00 1.00 H new ATOM 0 HG3 GLN A 254 0.017 1.089 -12.452 1.00 1.00 H new ATOM 0 HE21 GLN A 254 2.202 2.181 -14.683 1.00 2.21 H new ATOM 0 HE22 GLN A 254 1.111 3.008 -15.799 1.00 2.21 H new ATOM 775 N MET A 255 0.628 4.637 -9.467 1.00 0.59 N ATOM 776 CA MET A 255 0.444 5.761 -8.564 1.00 0.61 C ATOM 777 C MET A 255 -0.347 6.845 -9.281 1.00 0.65 C ATOM 778 O MET A 255 -0.292 6.942 -10.510 1.00 0.95 O ATOM 779 CB MET A 255 1.798 6.292 -8.060 1.00 0.95 C ATOM 780 CG MET A 255 2.797 6.636 -9.159 1.00 1.58 C ATOM 781 SD MET A 255 2.514 8.256 -9.902 1.00 2.30 S ATOM 782 CE MET A 255 3.831 8.299 -11.114 1.00 2.61 C ATOM 0 H MET A 255 0.617 4.893 -10.454 1.00 0.59 H new ATOM 0 HA MET A 255 -0.114 5.435 -7.686 1.00 0.61 H new ATOM 0 HB2 MET A 255 1.622 7.182 -7.457 1.00 0.95 H new ATOM 0 HB3 MET A 255 2.244 5.545 -7.403 1.00 0.95 H new ATOM 0 HG2 MET A 255 3.805 6.605 -8.746 1.00 1.58 H new ATOM 0 HG3 MET A 255 2.747 5.874 -9.937 1.00 1.58 H new ATOM 0 HE1 MET A 255 3.792 9.242 -11.660 1.00 2.61 H new ATOM 0 HE2 MET A 255 4.793 8.211 -10.609 1.00 2.61 H new ATOM 0 HE3 MET A 255 3.710 7.470 -11.812 1.00 2.61 H new ATOM 792 N SER A 256 -1.223 7.516 -8.552 1.00 0.57 N ATOM 793 CA SER A 256 -2.165 8.435 -9.165 1.00 0.69 C ATOM 794 C SER A 256 -2.691 9.429 -8.133 1.00 1.00 C ATOM 795 O SER A 256 -2.519 9.234 -6.928 1.00 1.47 O ATOM 796 CB SER A 256 -3.323 7.638 -9.775 1.00 0.76 C ATOM 797 OG SER A 256 -4.124 8.433 -10.631 1.00 1.64 O ATOM 0 H SER A 256 -1.301 7.441 -7.538 1.00 0.57 H new ATOM 0 HA SER A 256 -1.659 8.997 -9.950 1.00 0.69 H new ATOM 0 HB2 SER A 256 -2.925 6.791 -10.334 1.00 0.76 H new ATOM 0 HB3 SER A 256 -3.942 7.229 -8.976 1.00 0.76 H new ATOM 0 HG SER A 256 -4.849 7.887 -11.000 1.00 1.64 H new ATOM 803 N GLY A 257 -3.286 10.513 -8.610 1.00 1.01 N ATOM 804 CA GLY A 257 -3.806 11.536 -7.721 1.00 1.41 C ATOM 805 C GLY A 257 -5.226 11.251 -7.260 1.00 1.28 C ATOM 806 O GLY A 257 -6.008 12.174 -7.028 1.00 1.69 O ATOM 0 H GLY A 257 -3.419 10.704 -9.603 1.00 1.01 H new ATOM 0 HA2 GLY A 257 -3.156 11.618 -6.850 1.00 1.41 H new ATOM 0 HA3 GLY A 257 -3.781 12.500 -8.230 1.00 1.41 H new ATOM 810 N SER A 258 -5.544 9.979 -7.075 1.00 1.07 N ATOM 811 CA SER A 258 -6.853 9.570 -6.580 1.00 0.96 C ATOM 812 C SER A 258 -6.749 8.182 -5.960 1.00 0.74 C ATOM 813 O SER A 258 -6.619 8.044 -4.747 1.00 1.14 O ATOM 814 CB SER A 258 -7.888 9.570 -7.710 1.00 1.08 C ATOM 815 OG SER A 258 -8.015 10.855 -8.298 1.00 1.77 O ATOM 0 H SER A 258 -4.908 9.204 -7.262 1.00 1.07 H new ATOM 0 HA SER A 258 -7.181 10.282 -5.823 1.00 0.96 H new ATOM 0 HB2 SER A 258 -7.596 8.847 -8.472 1.00 1.08 H new ATOM 0 HB3 SER A 258 -8.854 9.250 -7.320 1.00 1.08 H new ATOM 0 HG SER A 258 -7.437 11.490 -7.825 1.00 1.77 H new ATOM 821 N LYS A 259 -6.600 7.176 -6.798 1.00 0.51 N ATOM 822 CA LYS A 259 -6.285 5.848 -6.312 1.00 0.37 C ATOM 823 C LYS A 259 -4.779 5.655 -6.379 1.00 0.33 C ATOM 824 O LYS A 259 -4.134 6.229 -7.253 1.00 0.45 O ATOM 825 CB LYS A 259 -7.013 4.781 -7.137 1.00 0.48 C ATOM 826 CG LYS A 259 -8.521 4.975 -7.181 1.00 1.11 C ATOM 827 CD LYS A 259 -9.227 3.797 -7.832 1.00 1.59 C ATOM 828 CE LYS A 259 -10.737 3.990 -7.849 1.00 2.02 C ATOM 829 NZ LYS A 259 -11.447 2.790 -8.370 1.00 2.41 N ATOM 0 H LYS A 259 -6.691 7.251 -7.811 1.00 0.51 H new ATOM 0 HA LYS A 259 -6.621 5.743 -5.280 1.00 0.37 H new ATOM 0 HB2 LYS A 259 -6.623 4.791 -8.155 1.00 0.48 H new ATOM 0 HB3 LYS A 259 -6.793 3.798 -6.721 1.00 0.48 H new ATOM 0 HG2 LYS A 259 -8.899 5.109 -6.168 1.00 1.11 H new ATOM 0 HG3 LYS A 259 -8.754 5.887 -7.732 1.00 1.11 H new ATOM 0 HD2 LYS A 259 -8.864 3.673 -8.852 1.00 1.59 H new ATOM 0 HD3 LYS A 259 -8.982 2.882 -7.293 1.00 1.59 H new ATOM 0 HE2 LYS A 259 -11.086 4.208 -6.840 1.00 2.02 H new ATOM 0 HE3 LYS A 259 -10.985 4.854 -8.465 1.00 2.02 H new ATOM 0 HZ1 LYS A 259 -12.472 2.964 -8.365 1.00 2.41 H new ATOM 0 HZ2 LYS A 259 -11.134 2.596 -9.343 1.00 2.41 H new ATOM 0 HZ3 LYS A 259 -11.232 1.970 -7.767 1.00 2.41 H new ATOM 843 N TYR A 260 -4.212 4.903 -5.434 1.00 0.24 N ATOM 844 CA TYR A 260 -2.763 4.682 -5.388 1.00 0.27 C ATOM 845 C TYR A 260 -2.014 6.010 -5.219 1.00 0.27 C ATOM 846 O TYR A 260 -1.120 6.337 -5.999 1.00 0.29 O ATOM 847 CB TYR A 260 -2.261 3.970 -6.657 1.00 0.33 C ATOM 848 CG TYR A 260 -3.244 2.992 -7.268 1.00 0.43 C ATOM 849 CD1 TYR A 260 -3.866 2.033 -6.481 1.00 0.29 C ATOM 850 CD2 TYR A 260 -3.540 3.016 -8.624 1.00 0.84 C ATOM 851 CE1 TYR A 260 -4.752 1.128 -7.025 1.00 0.52 C ATOM 852 CE2 TYR A 260 -4.426 2.111 -9.178 1.00 1.11 C ATOM 853 CZ TYR A 260 -5.067 1.229 -8.407 1.00 0.95 C ATOM 854 OH TYR A 260 -5.912 0.264 -8.914 1.00 1.24 O ATOM 0 H TYR A 260 -4.732 4.437 -4.691 1.00 0.24 H new ATOM 0 HA TYR A 260 -2.563 4.043 -4.528 1.00 0.27 H new ATOM 0 HB2 TYR A 260 -2.008 4.723 -7.403 1.00 0.33 H new ATOM 0 HB3 TYR A 260 -1.341 3.437 -6.418 1.00 0.33 H new ATOM 0 HD1 TYR A 260 -3.652 1.995 -5.423 1.00 0.29 H new ATOM 0 HD2 TYR A 260 -3.070 3.754 -9.257 1.00 0.84 H new ATOM 0 HE1 TYR A 260 -5.198 0.358 -6.413 1.00 0.52 H new ATOM 0 HE2 TYR A 260 -4.601 2.117 -10.244 1.00 1.11 H new ATOM 0 HH TYR A 260 -6.062 0.429 -9.868 1.00 1.24 H new ATOM 864 N ILE A 261 -2.390 6.775 -4.207 1.00 0.26 N ATOM 865 CA ILE A 261 -1.745 8.054 -3.926 1.00 0.27 C ATOM 866 C ILE A 261 -0.483 7.844 -3.086 1.00 0.28 C ATOM 867 O ILE A 261 -0.555 7.290 -1.999 1.00 0.35 O ATOM 868 CB ILE A 261 -2.705 8.992 -3.160 1.00 0.29 C ATOM 869 CG1 ILE A 261 -3.922 9.342 -4.017 1.00 0.32 C ATOM 870 CG2 ILE A 261 -1.991 10.254 -2.709 1.00 0.33 C ATOM 871 CD1 ILE A 261 -4.881 10.303 -3.342 1.00 0.39 C ATOM 0 H ILE A 261 -3.142 6.534 -3.562 1.00 0.26 H new ATOM 0 HA ILE A 261 -1.478 8.509 -4.880 1.00 0.27 H new ATOM 0 HB ILE A 261 -3.051 8.462 -2.272 1.00 0.29 H new ATOM 0 HG12 ILE A 261 -3.582 9.780 -4.955 1.00 0.32 H new ATOM 0 HG13 ILE A 261 -4.455 8.425 -4.268 1.00 0.32 H new ATOM 0 HG21 ILE A 261 -2.690 10.896 -2.173 1.00 0.33 H new ATOM 0 HG22 ILE A 261 -1.164 9.989 -2.051 1.00 0.33 H new ATOM 0 HG23 ILE A 261 -1.606 10.785 -3.580 1.00 0.33 H new ATOM 0 HD11 ILE A 261 -5.720 10.507 -4.007 1.00 0.39 H new ATOM 0 HD12 ILE A 261 -5.250 9.859 -2.417 1.00 0.39 H new ATOM 0 HD13 ILE A 261 -4.363 11.235 -3.116 1.00 0.39 H new ATOM 883 N PHE A 262 0.662 8.318 -3.552 1.00 0.30 N ATOM 884 CA PHE A 262 1.877 8.184 -2.756 1.00 0.32 C ATOM 885 C PHE A 262 1.964 9.292 -1.706 1.00 0.30 C ATOM 886 O PHE A 262 1.598 10.440 -1.965 1.00 0.37 O ATOM 887 CB PHE A 262 3.144 8.128 -3.632 1.00 0.46 C ATOM 888 CG PHE A 262 3.313 9.248 -4.630 1.00 0.63 C ATOM 889 CD1 PHE A 262 3.426 10.557 -4.191 1.00 0.87 C ATOM 890 CD2 PHE A 262 3.321 9.005 -5.994 1.00 0.84 C ATOM 891 CE1 PHE A 262 3.546 11.598 -5.091 1.00 1.13 C ATOM 892 CE2 PHE A 262 3.448 10.041 -6.900 1.00 1.09 C ATOM 893 CZ PHE A 262 3.691 11.283 -6.490 1.00 1.18 C ATOM 0 H PHE A 262 0.778 8.786 -4.451 1.00 0.30 H new ATOM 0 HA PHE A 262 1.821 7.229 -2.233 1.00 0.32 H new ATOM 0 HB2 PHE A 262 4.014 8.119 -2.976 1.00 0.46 H new ATOM 0 HB3 PHE A 262 3.144 7.183 -4.174 1.00 0.46 H new ATOM 0 HD1 PHE A 262 3.420 10.766 -3.131 1.00 0.87 H new ATOM 0 HD2 PHE A 262 3.227 7.991 -6.355 1.00 0.84 H new ATOM 0 HE1 PHE A 262 3.532 12.624 -4.754 1.00 1.13 H new ATOM 0 HE2 PHE A 262 3.349 9.839 -7.956 1.00 1.09 H new ATOM 0 HZ PHE A 262 3.992 12.044 -7.195 1.00 1.18 H new ATOM 903 N GLU A 263 2.327 8.908 -0.487 1.00 0.26 N ATOM 904 CA GLU A 263 2.365 9.838 0.636 1.00 0.30 C ATOM 905 C GLU A 263 3.462 9.439 1.625 1.00 0.28 C ATOM 906 O GLU A 263 3.586 8.268 1.988 1.00 0.33 O ATOM 907 CB GLU A 263 0.995 9.864 1.326 1.00 0.37 C ATOM 908 CG GLU A 263 0.937 10.723 2.577 1.00 0.56 C ATOM 909 CD GLU A 263 -0.481 10.914 3.078 1.00 1.07 C ATOM 910 OE1 GLU A 263 -1.279 11.570 2.375 1.00 1.73 O ATOM 911 OE2 GLU A 263 -0.809 10.419 4.176 1.00 1.79 O ATOM 0 H GLU A 263 2.600 7.954 -0.251 1.00 0.26 H new ATOM 0 HA GLU A 263 2.594 10.837 0.266 1.00 0.30 H new ATOM 0 HB2 GLU A 263 0.252 10.227 0.616 1.00 0.37 H new ATOM 0 HB3 GLU A 263 0.714 8.844 1.588 1.00 0.37 H new ATOM 0 HG2 GLU A 263 1.538 10.261 3.360 1.00 0.56 H new ATOM 0 HG3 GLU A 263 1.380 11.697 2.368 1.00 0.56 H new ATOM 918 N SER A 264 4.309 10.393 1.978 1.00 0.34 N ATOM 919 CA SER A 264 5.429 10.133 2.869 1.00 0.36 C ATOM 920 C SER A 264 5.099 10.586 4.288 1.00 0.34 C ATOM 921 O SER A 264 4.616 11.701 4.490 1.00 0.39 O ATOM 922 CB SER A 264 6.668 10.880 2.379 1.00 0.46 C ATOM 923 OG SER A 264 6.684 10.974 0.966 1.00 1.41 O ATOM 0 H SER A 264 4.241 11.360 1.659 1.00 0.34 H new ATOM 0 HA SER A 264 5.624 9.061 2.873 1.00 0.36 H new ATOM 0 HB2 SER A 264 6.688 11.880 2.813 1.00 0.46 H new ATOM 0 HB3 SER A 264 7.566 10.365 2.722 1.00 0.46 H new ATOM 0 HG SER A 264 7.486 11.458 0.679 1.00 1.41 H new ATOM 929 N ILE A 265 5.379 9.740 5.270 1.00 0.31 N ATOM 930 CA ILE A 265 5.168 10.105 6.667 1.00 0.34 C ATOM 931 C ILE A 265 6.405 9.760 7.497 1.00 0.38 C ATOM 932 O ILE A 265 6.522 8.649 8.016 1.00 0.42 O ATOM 933 CB ILE A 265 3.937 9.383 7.266 1.00 0.42 C ATOM 934 CG1 ILE A 265 2.702 9.614 6.388 1.00 0.82 C ATOM 935 CG2 ILE A 265 3.673 9.862 8.688 1.00 0.73 C ATOM 936 CD1 ILE A 265 1.474 8.857 6.846 1.00 1.31 C ATOM 0 H ILE A 265 5.751 8.801 5.128 1.00 0.31 H new ATOM 0 HA ILE A 265 4.988 11.180 6.698 1.00 0.34 H new ATOM 0 HB ILE A 265 4.148 8.314 7.296 1.00 0.42 H new ATOM 0 HG12 ILE A 265 2.474 10.680 6.371 1.00 0.82 H new ATOM 0 HG13 ILE A 265 2.936 9.322 5.364 1.00 0.82 H new ATOM 0 HG21 ILE A 265 2.804 9.343 9.091 1.00 0.73 H new ATOM 0 HG22 ILE A 265 4.543 9.651 9.310 1.00 0.73 H new ATOM 0 HG23 ILE A 265 3.483 10.935 8.681 1.00 0.73 H new ATOM 0 HD11 ILE A 265 0.643 9.072 6.175 1.00 1.31 H new ATOM 0 HD12 ILE A 265 1.681 7.787 6.836 1.00 1.31 H new ATOM 0 HD13 ILE A 265 1.212 9.166 7.858 1.00 1.31 H new ATOM 948 N GLY A 266 7.308 10.731 7.643 1.00 0.48 N ATOM 949 CA GLY A 266 8.513 10.535 8.442 1.00 0.65 C ATOM 950 C GLY A 266 9.232 9.236 8.118 1.00 0.86 C ATOM 951 O GLY A 266 9.338 8.360 8.978 1.00 1.93 O ATOM 0 H GLY A 266 7.226 11.655 7.220 1.00 0.48 H new ATOM 0 HA2 GLY A 266 9.192 11.371 8.277 1.00 0.65 H new ATOM 0 HA3 GLY A 266 8.247 10.544 9.499 1.00 0.65 H new ATOM 955 N ALA A 267 9.565 9.057 6.838 1.00 0.48 N ATOM 956 CA ALA A 267 10.136 7.811 6.312 1.00 0.39 C ATOM 957 C ALA A 267 9.072 6.751 6.120 1.00 0.30 C ATOM 958 O ALA A 267 9.124 5.991 5.151 1.00 0.32 O ATOM 959 CB ALA A 267 11.236 7.249 7.185 1.00 0.44 C ATOM 0 H ALA A 267 9.445 9.780 6.128 1.00 0.48 H new ATOM 0 HA ALA A 267 10.570 8.077 5.348 1.00 0.39 H new ATOM 0 HB1 ALA A 267 11.617 6.329 6.743 1.00 0.44 H new ATOM 0 HB2 ALA A 267 12.045 7.975 7.264 1.00 0.44 H new ATOM 0 HB3 ALA A 267 10.840 7.037 8.178 1.00 0.44 H new ATOM 965 N LYS A 268 8.118 6.682 7.039 1.00 0.26 N ATOM 966 CA LYS A 268 7.042 5.731 6.905 1.00 0.25 C ATOM 967 C LYS A 268 6.209 6.096 5.692 1.00 0.29 C ATOM 968 O LYS A 268 5.579 7.148 5.633 1.00 0.47 O ATOM 969 CB LYS A 268 6.181 5.667 8.166 1.00 0.28 C ATOM 970 CG LYS A 268 6.785 4.812 9.268 1.00 0.30 C ATOM 971 CD LYS A 268 5.841 4.717 10.457 1.00 0.41 C ATOM 972 CE LYS A 268 6.301 3.674 11.461 1.00 1.20 C ATOM 973 NZ LYS A 268 7.607 4.019 12.083 1.00 2.00 N ATOM 0 H LYS A 268 8.073 7.268 7.872 1.00 0.26 H new ATOM 0 HA LYS A 268 7.467 4.737 6.768 1.00 0.25 H new ATOM 0 HB2 LYS A 268 6.028 6.678 8.544 1.00 0.28 H new ATOM 0 HB3 LYS A 268 5.199 5.271 7.907 1.00 0.28 H new ATOM 0 HG2 LYS A 268 6.996 3.814 8.885 1.00 0.30 H new ATOM 0 HG3 LYS A 268 7.736 5.239 9.586 1.00 0.30 H new ATOM 0 HD2 LYS A 268 5.775 5.688 10.947 1.00 0.41 H new ATOM 0 HD3 LYS A 268 4.839 4.467 10.107 1.00 0.41 H new ATOM 0 HE2 LYS A 268 5.547 3.568 12.241 1.00 1.20 H new ATOM 0 HE3 LYS A 268 6.383 2.707 10.964 1.00 1.20 H new ATOM 0 HZ1 LYS A 268 8.349 3.398 11.700 1.00 2.00 H new ATOM 0 HZ2 LYS A 268 7.841 5.010 11.871 1.00 2.00 H new ATOM 0 HZ3 LYS A 268 7.546 3.890 13.113 1.00 2.00 H new ATOM 987 N ARG A 269 6.329 5.273 4.683 1.00 0.16 N ATOM 988 CA ARG A 269 5.688 5.517 3.423 1.00 0.16 C ATOM 989 C ARG A 269 4.251 5.038 3.445 1.00 0.18 C ATOM 990 O ARG A 269 3.911 4.084 4.134 1.00 0.17 O ATOM 991 CB ARG A 269 6.457 4.836 2.304 1.00 0.20 C ATOM 992 CG ARG A 269 5.792 4.976 0.967 1.00 0.53 C ATOM 993 CD ARG A 269 5.764 6.431 0.517 1.00 0.79 C ATOM 994 NE ARG A 269 7.099 7.023 0.459 1.00 0.69 N ATOM 995 CZ ARG A 269 7.385 8.142 -0.206 1.00 0.97 C ATOM 996 NH1 ARG A 269 6.463 8.709 -0.975 1.00 1.85 N ATOM 997 NH2 ARG A 269 8.595 8.679 -0.117 1.00 1.17 N ATOM 0 H ARG A 269 6.876 4.413 4.715 1.00 0.16 H new ATOM 0 HA ARG A 269 5.683 6.592 3.243 1.00 0.16 H new ATOM 0 HB2 ARG A 269 7.460 5.258 2.251 1.00 0.20 H new ATOM 0 HB3 ARG A 269 6.569 3.778 2.539 1.00 0.20 H new ATOM 0 HG2 ARG A 269 6.322 4.374 0.229 1.00 0.53 H new ATOM 0 HG3 ARG A 269 4.774 4.590 1.022 1.00 0.53 H new ATOM 0 HD2 ARG A 269 5.298 6.495 -0.466 1.00 0.79 H new ATOM 0 HD3 ARG A 269 5.143 7.008 1.202 1.00 0.79 H new ATOM 0 HE ARG A 269 7.855 6.553 0.956 1.00 0.69 H new ATOM 0 HH11 ARG A 269 5.537 8.288 -1.056 1.00 1.85 H new ATOM 0 HH12 ARG A 269 6.680 9.565 -1.485 1.00 1.85 H new ATOM 0 HH21 ARG A 269 9.309 8.235 0.461 1.00 1.17 H new ATOM 0 HH22 ARG A 269 8.812 9.535 -0.627 1.00 1.17 H new ATOM 1011 N THR A 270 3.400 5.771 2.770 1.00 0.18 N ATOM 1012 CA THR A 270 2.000 5.452 2.729 1.00 0.18 C ATOM 1013 C THR A 270 1.445 5.572 1.313 1.00 0.19 C ATOM 1014 O THR A 270 1.641 6.591 0.643 1.00 0.22 O ATOM 1015 CB THR A 270 1.225 6.383 3.677 1.00 0.20 C ATOM 1016 OG1 THR A 270 1.477 6.016 5.040 1.00 0.25 O ATOM 1017 CG2 THR A 270 -0.257 6.335 3.390 1.00 0.24 C ATOM 0 H THR A 270 3.660 6.601 2.237 1.00 0.18 H new ATOM 0 HA THR A 270 1.878 4.418 3.052 1.00 0.18 H new ATOM 0 HB THR A 270 1.570 7.404 3.512 1.00 0.20 H new ATOM 0 HG1 THR A 270 0.799 5.373 5.336 1.00 0.25 H new ATOM 0 HG21 THR A 270 -0.782 7.002 4.074 1.00 0.24 H new ATOM 0 HG22 THR A 270 -0.439 6.652 2.363 1.00 0.24 H new ATOM 0 HG23 THR A 270 -0.621 5.317 3.526 1.00 0.24 H new ATOM 1025 N LEU A 271 0.656 4.585 0.906 1.00 0.17 N ATOM 1026 CA LEU A 271 -0.087 4.701 -0.335 1.00 0.17 C ATOM 1027 C LEU A 271 -1.557 4.951 -0.025 1.00 0.16 C ATOM 1028 O LEU A 271 -2.254 4.054 0.427 1.00 0.17 O ATOM 1029 CB LEU A 271 0.020 3.446 -1.194 1.00 0.20 C ATOM 1030 CG LEU A 271 -0.633 3.578 -2.572 1.00 0.26 C ATOM 1031 CD1 LEU A 271 0.295 4.311 -3.528 1.00 0.56 C ATOM 1032 CD2 LEU A 271 -1.026 2.220 -3.126 1.00 0.49 C ATOM 0 H LEU A 271 0.517 3.709 1.411 1.00 0.17 H new ATOM 0 HA LEU A 271 0.344 5.533 -0.892 1.00 0.17 H new ATOM 0 HB2 LEU A 271 1.073 3.196 -1.325 1.00 0.20 H new ATOM 0 HB3 LEU A 271 -0.442 2.614 -0.663 1.00 0.20 H new ATOM 0 HG LEU A 271 -1.546 4.163 -2.463 1.00 0.26 H new ATOM 0 HD11 LEU A 271 -0.183 4.397 -4.504 1.00 0.56 H new ATOM 0 HD12 LEU A 271 0.507 5.307 -3.138 1.00 0.56 H new ATOM 0 HD13 LEU A 271 1.227 3.755 -3.628 1.00 0.56 H new ATOM 0 HD21 LEU A 271 -1.487 2.346 -4.106 1.00 0.49 H new ATOM 0 HD22 LEU A 271 -0.138 1.595 -3.221 1.00 0.49 H new ATOM 0 HD23 LEU A 271 -1.735 1.743 -2.450 1.00 0.49 H new ATOM 1044 N THR A 272 -2.040 6.141 -0.303 1.00 0.18 N ATOM 1045 CA THR A 272 -3.438 6.445 -0.083 1.00 0.21 C ATOM 1046 C THR A 272 -4.295 5.896 -1.221 1.00 0.22 C ATOM 1047 O THR A 272 -4.209 6.349 -2.363 1.00 0.29 O ATOM 1048 CB THR A 272 -3.666 7.958 0.048 1.00 0.27 C ATOM 1049 OG1 THR A 272 -2.627 8.537 0.846 1.00 0.33 O ATOM 1050 CG2 THR A 272 -5.013 8.248 0.689 1.00 0.30 C ATOM 0 H THR A 272 -1.489 6.912 -0.680 1.00 0.18 H new ATOM 0 HA THR A 272 -3.733 5.967 0.851 1.00 0.21 H new ATOM 0 HB THR A 272 -3.652 8.394 -0.951 1.00 0.27 H new ATOM 0 HG1 THR A 272 -2.775 9.502 0.926 1.00 0.33 H new ATOM 0 HG21 THR A 272 -5.152 9.326 0.771 1.00 0.30 H new ATOM 0 HG22 THR A 272 -5.807 7.826 0.074 1.00 0.30 H new ATOM 0 HG23 THR A 272 -5.047 7.801 1.682 1.00 0.30 H new ATOM 1058 N ILE A 273 -5.141 4.945 -0.892 1.00 0.23 N ATOM 1059 CA ILE A 273 -6.074 4.387 -1.847 1.00 0.26 C ATOM 1060 C ILE A 273 -7.452 5.010 -1.624 1.00 0.28 C ATOM 1061 O ILE A 273 -8.032 4.909 -0.534 1.00 0.27 O ATOM 1062 CB ILE A 273 -6.095 2.827 -1.767 1.00 0.31 C ATOM 1063 CG1 ILE A 273 -5.546 2.227 -3.063 1.00 0.41 C ATOM 1064 CG2 ILE A 273 -7.481 2.259 -1.481 1.00 0.32 C ATOM 1065 CD1 ILE A 273 -6.386 2.548 -4.280 1.00 0.86 C ATOM 0 H ILE A 273 -5.202 4.538 0.041 1.00 0.23 H new ATOM 0 HA ILE A 273 -5.755 4.630 -2.860 1.00 0.26 H new ATOM 0 HB ILE A 273 -5.460 2.550 -0.926 1.00 0.31 H new ATOM 0 HG12 ILE A 273 -4.533 2.595 -3.224 1.00 0.41 H new ATOM 0 HG13 ILE A 273 -5.479 1.145 -2.953 1.00 0.41 H new ATOM 0 HG21 ILE A 273 -7.427 1.171 -1.438 1.00 0.32 H new ATOM 0 HG22 ILE A 273 -7.841 2.642 -0.526 1.00 0.32 H new ATOM 0 HG23 ILE A 273 -8.167 2.557 -2.274 1.00 0.32 H new ATOM 0 HD11 ILE A 273 -5.938 2.091 -5.162 1.00 0.86 H new ATOM 0 HD12 ILE A 273 -7.393 2.156 -4.140 1.00 0.86 H new ATOM 0 HD13 ILE A 273 -6.433 3.629 -4.415 1.00 0.86 H new ATOM 1077 N SER A 274 -7.861 5.828 -2.586 1.00 0.33 N ATOM 1078 CA SER A 274 -9.088 6.598 -2.476 1.00 0.39 C ATOM 1079 C SER A 274 -10.139 6.030 -3.413 1.00 0.45 C ATOM 1080 O SER A 274 -9.796 5.319 -4.359 1.00 0.50 O ATOM 1081 CB SER A 274 -8.829 8.065 -2.813 1.00 0.52 C ATOM 1082 OG SER A 274 -7.652 8.537 -2.178 1.00 1.13 O ATOM 0 H SER A 274 -7.353 5.974 -3.458 1.00 0.33 H new ATOM 0 HA SER A 274 -9.450 6.535 -1.450 1.00 0.39 H new ATOM 0 HB2 SER A 274 -8.735 8.182 -3.893 1.00 0.52 H new ATOM 0 HB3 SER A 274 -9.681 8.669 -2.500 1.00 0.52 H new ATOM 0 HG SER A 274 -6.906 8.516 -2.814 1.00 1.13 H new ATOM 1088 N GLN A 275 -11.410 6.311 -3.129 1.00 0.51 N ATOM 1089 CA GLN A 275 -12.512 5.789 -3.932 1.00 0.62 C ATOM 1090 C GLN A 275 -12.462 4.272 -3.921 1.00 0.62 C ATOM 1091 O GLN A 275 -12.419 3.627 -4.971 1.00 0.74 O ATOM 1092 CB GLN A 275 -12.431 6.309 -5.369 1.00 0.75 C ATOM 1093 CG GLN A 275 -12.473 7.821 -5.483 1.00 0.90 C ATOM 1094 CD GLN A 275 -12.344 8.286 -6.918 1.00 1.53 C ATOM 1095 OE1 GLN A 275 -13.059 7.811 -7.803 1.00 2.14 O ATOM 1096 NE2 GLN A 275 -11.445 9.227 -7.160 1.00 2.27 N ATOM 0 H GLN A 275 -11.701 6.898 -2.347 1.00 0.51 H new ATOM 0 HA GLN A 275 -13.455 6.128 -3.504 1.00 0.62 H new ATOM 0 HB2 GLN A 275 -11.509 5.946 -5.824 1.00 0.75 H new ATOM 0 HB3 GLN A 275 -13.257 5.889 -5.943 1.00 0.75 H new ATOM 0 HG2 GLN A 275 -13.410 8.190 -5.065 1.00 0.90 H new ATOM 0 HG3 GLN A 275 -11.667 8.252 -4.889 1.00 0.90 H new ATOM 0 HE21 GLN A 275 -10.873 9.594 -6.399 1.00 2.27 H new ATOM 0 HE22 GLN A 275 -11.324 9.585 -8.107 1.00 2.27 H new ATOM 1105 N CYS A 276 -12.375 3.719 -2.725 1.00 0.60 N ATOM 1106 CA CYS A 276 -12.196 2.315 -2.535 1.00 0.69 C ATOM 1107 C CYS A 276 -12.809 1.969 -1.216 1.00 0.75 C ATOM 1108 O CYS A 276 -12.546 2.618 -0.199 1.00 1.27 O ATOM 1109 CB CYS A 276 -10.709 1.953 -2.551 1.00 0.80 C ATOM 1110 SG CYS A 276 -9.871 2.298 -4.119 1.00 2.00 S ATOM 0 H CYS A 276 -12.429 4.250 -1.856 1.00 0.60 H new ATOM 0 HA CYS A 276 -12.671 1.754 -3.340 1.00 0.69 H new ATOM 0 HB2 CYS A 276 -10.205 2.502 -1.756 1.00 0.80 H new ATOM 0 HB3 CYS A 276 -10.603 0.892 -2.322 1.00 0.80 H new ATOM 0 HG CYS A 276 -9.912 3.575 -4.361 1.00 2.00 H new ATOM 1116 N SER A 277 -13.786 1.121 -1.286 1.00 0.54 N ATOM 1117 CA SER A 277 -14.557 0.790 -0.138 1.00 0.52 C ATOM 1118 C SER A 277 -15.012 -0.652 -0.268 1.00 0.48 C ATOM 1119 O SER A 277 -14.182 -1.536 -0.438 1.00 0.47 O ATOM 1120 CB SER A 277 -15.736 1.753 -0.010 1.00 0.56 C ATOM 1121 OG SER A 277 -16.444 1.865 -1.234 1.00 0.63 O ATOM 0 H SER A 277 -14.068 0.641 -2.141 1.00 0.54 H new ATOM 0 HA SER A 277 -13.963 0.888 0.771 1.00 0.52 H new ATOM 0 HB2 SER A 277 -16.410 1.404 0.772 1.00 0.56 H new ATOM 0 HB3 SER A 277 -15.375 2.735 0.295 1.00 0.56 H new ATOM 0 HG SER A 277 -17.194 2.486 -1.123 1.00 0.63 H new ATOM 1127 N LEU A 278 -16.313 -0.892 -0.297 1.00 0.51 N ATOM 1128 CA LEU A 278 -16.819 -2.247 -0.466 1.00 0.54 C ATOM 1129 C LEU A 278 -16.628 -2.740 -1.904 1.00 0.58 C ATOM 1130 O LEU A 278 -17.578 -3.177 -2.556 1.00 0.71 O ATOM 1131 CB LEU A 278 -18.293 -2.326 -0.071 1.00 0.63 C ATOM 1132 CG LEU A 278 -18.546 -2.642 1.400 1.00 0.78 C ATOM 1133 CD1 LEU A 278 -18.269 -4.109 1.684 1.00 1.22 C ATOM 1134 CD2 LEU A 278 -17.678 -1.766 2.282 1.00 0.79 C ATOM 0 H LEU A 278 -17.033 -0.175 -0.207 1.00 0.51 H new ATOM 0 HA LEU A 278 -16.244 -2.898 0.193 1.00 0.54 H new ATOM 0 HB2 LEU A 278 -18.770 -1.376 -0.311 1.00 0.63 H new ATOM 0 HB3 LEU A 278 -18.777 -3.089 -0.680 1.00 0.63 H new ATOM 0 HG LEU A 278 -19.593 -2.437 1.622 1.00 0.78 H new ATOM 0 HD11 LEU A 278 -18.454 -4.317 2.738 1.00 1.22 H new ATOM 0 HD12 LEU A 278 -18.924 -4.728 1.071 1.00 1.22 H new ATOM 0 HD13 LEU A 278 -17.229 -4.336 1.447 1.00 1.22 H new ATOM 0 HD21 LEU A 278 -17.868 -2.002 3.329 1.00 0.79 H new ATOM 0 HD22 LEU A 278 -16.628 -1.948 2.054 1.00 0.79 H new ATOM 0 HD23 LEU A 278 -17.913 -0.718 2.098 1.00 0.79 H new ATOM 1146 N ALA A 279 -15.405 -2.631 -2.402 1.00 0.53 N ATOM 1147 CA ALA A 279 -15.083 -3.010 -3.765 1.00 0.61 C ATOM 1148 C ALA A 279 -13.598 -3.316 -3.911 1.00 0.58 C ATOM 1149 O ALA A 279 -13.226 -4.284 -4.568 1.00 0.62 O ATOM 1150 CB ALA A 279 -15.489 -1.909 -4.733 1.00 0.71 C ATOM 0 H ALA A 279 -14.610 -2.277 -1.870 1.00 0.53 H new ATOM 0 HA ALA A 279 -15.643 -3.914 -4.004 1.00 0.61 H new ATOM 0 HB1 ALA A 279 -15.240 -2.210 -5.751 1.00 0.71 H new ATOM 0 HB2 ALA A 279 -16.563 -1.736 -4.658 1.00 0.71 H new ATOM 0 HB3 ALA A 279 -14.955 -0.991 -4.485 1.00 0.71 H new ATOM 1156 N ASP A 280 -12.747 -2.478 -3.315 1.00 0.56 N ATOM 1157 CA ASP A 280 -11.299 -2.667 -3.424 1.00 0.59 C ATOM 1158 C ASP A 280 -10.816 -3.821 -2.552 1.00 0.50 C ATOM 1159 O ASP A 280 -9.679 -4.267 -2.703 1.00 0.70 O ATOM 1160 CB ASP A 280 -10.541 -1.395 -3.051 1.00 0.70 C ATOM 1161 CG ASP A 280 -10.515 -1.135 -1.562 1.00 1.21 C ATOM 1162 OD1 ASP A 280 -11.599 -1.051 -0.958 1.00 1.84 O ATOM 1163 OD2 ASP A 280 -9.411 -1.045 -0.998 1.00 1.77 O ATOM 0 H ASP A 280 -13.031 -1.672 -2.759 1.00 0.56 H new ATOM 0 HA ASP A 280 -11.093 -2.907 -4.467 1.00 0.59 H new ATOM 0 HB2 ASP A 280 -9.518 -1.468 -3.419 1.00 0.70 H new ATOM 0 HB3 ASP A 280 -11.001 -0.544 -3.554 1.00 0.70 H new ATOM 1168 N ASP A 281 -11.687 -4.277 -1.644 1.00 0.37 N ATOM 1169 CA ASP A 281 -11.390 -5.385 -0.721 1.00 0.33 C ATOM 1170 C ASP A 281 -10.652 -6.520 -1.437 1.00 0.34 C ATOM 1171 O ASP A 281 -11.246 -7.274 -2.213 1.00 0.43 O ATOM 1172 CB ASP A 281 -12.713 -5.884 -0.111 1.00 0.40 C ATOM 1173 CG ASP A 281 -12.569 -7.028 0.886 1.00 0.52 C ATOM 1174 OD1 ASP A 281 -11.522 -7.698 0.912 1.00 0.81 O ATOM 1175 OD2 ASP A 281 -13.543 -7.292 1.625 1.00 1.12 O ATOM 0 H ASP A 281 -12.622 -3.888 -1.526 1.00 0.37 H new ATOM 0 HA ASP A 281 -10.732 -5.030 0.072 1.00 0.33 H new ATOM 0 HB2 ASP A 281 -13.205 -5.048 0.386 1.00 0.40 H new ATOM 0 HB3 ASP A 281 -13.370 -6.206 -0.919 1.00 0.40 H new ATOM 1180 N ALA A 282 -9.333 -6.557 -1.227 1.00 0.31 N ATOM 1181 CA ALA A 282 -8.428 -7.485 -1.906 1.00 0.37 C ATOM 1182 C ALA A 282 -6.997 -7.160 -1.500 1.00 0.35 C ATOM 1183 O ALA A 282 -6.730 -6.054 -1.068 1.00 0.58 O ATOM 1184 CB ALA A 282 -8.573 -7.391 -3.417 1.00 0.48 C ATOM 0 H ALA A 282 -8.859 -5.935 -0.572 1.00 0.31 H new ATOM 0 HA ALA A 282 -8.681 -8.504 -1.612 1.00 0.37 H new ATOM 0 HB1 ALA A 282 -7.888 -8.092 -3.893 1.00 0.48 H new ATOM 0 HB2 ALA A 282 -9.597 -7.635 -3.700 1.00 0.48 H new ATOM 0 HB3 ALA A 282 -8.339 -6.378 -3.743 1.00 0.48 H new ATOM 1190 N ALA A 283 -6.103 -8.135 -1.556 1.00 0.22 N ATOM 1191 CA ALA A 283 -4.742 -7.946 -1.044 1.00 0.17 C ATOM 1192 C ALA A 283 -3.959 -6.914 -1.858 1.00 0.15 C ATOM 1193 O ALA A 283 -4.011 -6.924 -3.086 1.00 0.19 O ATOM 1194 CB ALA A 283 -4.000 -9.274 -1.031 1.00 0.22 C ATOM 0 H ALA A 283 -6.286 -9.060 -1.946 1.00 0.22 H new ATOM 0 HA ALA A 283 -4.825 -7.564 -0.026 1.00 0.17 H new ATOM 0 HB1 ALA A 283 -2.990 -9.123 -0.649 1.00 0.22 H new ATOM 0 HB2 ALA A 283 -4.528 -9.980 -0.390 1.00 0.22 H new ATOM 0 HB3 ALA A 283 -3.949 -9.672 -2.044 1.00 0.22 H new ATOM 1200 N TYR A 284 -3.189 -6.064 -1.168 1.00 0.12 N ATOM 1201 CA TYR A 284 -2.321 -5.088 -1.838 1.00 0.13 C ATOM 1202 C TYR A 284 -0.864 -5.263 -1.383 1.00 0.14 C ATOM 1203 O TYR A 284 -0.499 -4.916 -0.260 1.00 0.16 O ATOM 1204 CB TYR A 284 -2.757 -3.623 -1.586 1.00 0.15 C ATOM 1205 CG TYR A 284 -4.006 -3.162 -2.333 1.00 0.19 C ATOM 1206 CD1 TYR A 284 -4.997 -4.062 -2.703 1.00 0.22 C ATOM 1207 CD2 TYR A 284 -4.195 -1.813 -2.669 1.00 0.26 C ATOM 1208 CE1 TYR A 284 -6.130 -3.650 -3.374 1.00 0.29 C ATOM 1209 CE2 TYR A 284 -5.331 -1.399 -3.338 1.00 0.32 C ATOM 1210 CZ TYR A 284 -6.292 -2.320 -3.688 1.00 0.35 C ATOM 1211 OH TYR A 284 -7.425 -1.909 -4.351 1.00 0.41 O ATOM 0 H TYR A 284 -3.149 -6.032 -0.149 1.00 0.12 H new ATOM 0 HA TYR A 284 -2.409 -5.283 -2.907 1.00 0.13 H new ATOM 0 HB2 TYR A 284 -2.928 -3.494 -0.517 1.00 0.15 H new ATOM 0 HB3 TYR A 284 -1.931 -2.966 -1.859 1.00 0.15 H new ATOM 0 HD1 TYR A 284 -4.878 -5.108 -2.460 1.00 0.22 H new ATOM 0 HD2 TYR A 284 -3.441 -1.087 -2.401 1.00 0.26 H new ATOM 0 HE1 TYR A 284 -6.887 -4.369 -3.652 1.00 0.29 H new ATOM 0 HE2 TYR A 284 -5.464 -0.356 -3.585 1.00 0.32 H new ATOM 0 HH TYR A 284 -7.386 -0.941 -4.496 1.00 0.41 H new ATOM 1221 N GLN A 285 -0.019 -5.686 -2.308 1.00 0.13 N ATOM 1222 CA GLN A 285 1.412 -5.793 -2.078 1.00 0.13 C ATOM 1223 C GLN A 285 2.095 -4.430 -2.222 1.00 0.12 C ATOM 1224 O GLN A 285 1.506 -3.481 -2.736 1.00 0.13 O ATOM 1225 CB GLN A 285 2.055 -6.775 -3.061 1.00 0.12 C ATOM 1226 CG GLN A 285 1.473 -8.179 -3.041 1.00 0.15 C ATOM 1227 CD GLN A 285 0.300 -8.375 -3.984 1.00 0.21 C ATOM 1228 OE1 GLN A 285 0.055 -7.419 -4.865 1.00 0.29 O flip ATOM 1229 NE2 GLN A 285 -0.369 -9.403 -3.935 1.00 0.18 N flip ATOM 0 H GLN A 285 -0.308 -5.966 -3.245 1.00 0.13 H new ATOM 0 HA GLN A 285 1.547 -6.160 -1.060 1.00 0.13 H new ATOM 0 HB2 GLN A 285 1.958 -6.372 -4.069 1.00 0.12 H new ATOM 0 HB3 GLN A 285 3.121 -6.837 -2.844 1.00 0.12 H new ATOM 0 HG2 GLN A 285 2.257 -8.890 -3.301 1.00 0.15 H new ATOM 0 HG3 GLN A 285 1.153 -8.414 -2.026 1.00 0.15 H new ATOM 0 HE21 GLN A 285 -0.152 -10.120 -3.243 1.00 0.18 H new ATOM 0 HE22 GLN A 285 -1.142 -9.540 -4.587 1.00 0.18 H new ATOM 1238 N CYS A 286 3.350 -4.355 -1.796 1.00 0.14 N ATOM 1239 CA CYS A 286 4.127 -3.117 -1.892 1.00 0.19 C ATOM 1240 C CYS A 286 5.380 -3.321 -2.692 1.00 0.19 C ATOM 1241 O CYS A 286 5.912 -4.421 -2.702 1.00 0.20 O ATOM 1242 CB CYS A 286 4.515 -2.649 -0.529 1.00 0.28 C ATOM 1243 SG CYS A 286 5.598 -3.780 0.374 1.00 1.00 S ATOM 0 H CYS A 286 3.856 -5.137 -1.379 1.00 0.14 H new ATOM 0 HA CYS A 286 3.500 -2.376 -2.387 1.00 0.19 H new ATOM 0 HB2 CYS A 286 5.013 -1.684 -0.619 1.00 0.28 H new ATOM 0 HB3 CYS A 286 3.610 -2.488 0.057 1.00 0.28 H new ATOM 0 HG CYS A 286 6.709 -3.173 0.671 1.00 1.00 H new ATOM 1249 N VAL A 287 5.731 -2.340 -3.520 1.00 0.20 N ATOM 1250 CA VAL A 287 6.760 -2.578 -4.508 1.00 0.21 C ATOM 1251 C VAL A 287 7.652 -1.359 -4.784 1.00 0.22 C ATOM 1252 O VAL A 287 7.199 -0.224 -4.939 1.00 0.24 O ATOM 1253 CB VAL A 287 6.115 -3.133 -5.809 1.00 0.21 C ATOM 1254 CG1 VAL A 287 4.642 -3.442 -5.559 1.00 0.18 C ATOM 1255 CG2 VAL A 287 6.274 -2.193 -6.996 1.00 0.27 C ATOM 0 H VAL A 287 5.328 -1.403 -3.523 1.00 0.20 H new ATOM 0 HA VAL A 287 7.437 -3.325 -4.094 1.00 0.21 H new ATOM 0 HB VAL A 287 6.644 -4.049 -6.071 1.00 0.21 H new ATOM 0 HG11 VAL A 287 4.192 -3.831 -6.472 1.00 0.18 H new ATOM 0 HG12 VAL A 287 4.556 -4.186 -4.767 1.00 0.18 H new ATOM 0 HG13 VAL A 287 4.125 -2.531 -5.259 1.00 0.18 H new ATOM 0 HG21 VAL A 287 5.804 -2.634 -7.875 1.00 0.27 H new ATOM 0 HG22 VAL A 287 5.798 -1.239 -6.771 1.00 0.27 H new ATOM 0 HG23 VAL A 287 7.334 -2.032 -7.193 1.00 0.27 H new ATOM 1265 N VAL A 288 8.940 -1.621 -4.872 1.00 0.24 N ATOM 1266 CA VAL A 288 9.911 -0.596 -5.211 1.00 0.26 C ATOM 1267 C VAL A 288 10.899 -1.156 -6.225 1.00 0.33 C ATOM 1268 O VAL A 288 11.532 -2.187 -5.976 1.00 0.37 O ATOM 1269 CB VAL A 288 10.668 -0.088 -3.961 1.00 0.27 C ATOM 1270 CG1 VAL A 288 11.884 0.727 -4.350 1.00 0.31 C ATOM 1271 CG2 VAL A 288 9.754 0.739 -3.074 1.00 0.36 C ATOM 0 H VAL A 288 9.343 -2.544 -4.712 1.00 0.24 H new ATOM 0 HA VAL A 288 9.377 0.252 -5.638 1.00 0.26 H new ATOM 0 HB VAL A 288 11.002 -0.963 -3.403 1.00 0.27 H new ATOM 0 HG11 VAL A 288 12.395 1.070 -3.450 1.00 0.31 H new ATOM 0 HG12 VAL A 288 12.562 0.110 -4.940 1.00 0.31 H new ATOM 0 HG13 VAL A 288 11.571 1.588 -4.940 1.00 0.31 H new ATOM 0 HG21 VAL A 288 10.309 1.085 -2.202 1.00 0.36 H new ATOM 0 HG22 VAL A 288 9.384 1.599 -3.633 1.00 0.36 H new ATOM 0 HG23 VAL A 288 8.912 0.128 -2.749 1.00 0.36 H new ATOM 1281 N GLY A 289 10.925 -0.550 -7.408 1.00 0.43 N ATOM 1282 CA GLY A 289 11.738 -1.050 -8.503 1.00 0.57 C ATOM 1283 C GLY A 289 11.140 -2.289 -9.143 1.00 0.73 C ATOM 1284 O GLY A 289 10.793 -2.289 -10.322 1.00 1.51 O ATOM 0 H GLY A 289 10.390 0.290 -7.630 1.00 0.43 H new ATOM 0 HA2 GLY A 289 11.847 -0.271 -9.257 1.00 0.57 H new ATOM 0 HA3 GLY A 289 12.738 -1.280 -8.135 1.00 0.57 H new ATOM 1288 N GLY A 290 10.969 -3.324 -8.342 1.00 0.41 N ATOM 1289 CA GLY A 290 10.376 -4.557 -8.815 1.00 0.41 C ATOM 1290 C GLY A 290 10.350 -5.606 -7.728 1.00 0.37 C ATOM 1291 O GLY A 290 10.497 -6.797 -7.989 1.00 0.64 O ATOM 0 H GLY A 290 11.234 -3.333 -7.357 1.00 0.41 H new ATOM 0 HA2 GLY A 290 9.361 -4.365 -9.162 1.00 0.41 H new ATOM 0 HA3 GLY A 290 10.940 -4.930 -9.670 1.00 0.41 H new ATOM 1295 N GLU A 291 10.150 -5.152 -6.505 1.00 0.27 N ATOM 1296 CA GLU A 291 10.090 -6.025 -5.348 1.00 0.22 C ATOM 1297 C GLU A 291 8.736 -5.857 -4.690 1.00 0.16 C ATOM 1298 O GLU A 291 8.365 -4.739 -4.384 1.00 0.19 O ATOM 1299 CB GLU A 291 11.201 -5.629 -4.364 1.00 0.26 C ATOM 1300 CG GLU A 291 12.604 -5.842 -4.909 1.00 0.53 C ATOM 1301 CD GLU A 291 13.677 -5.360 -3.957 1.00 1.48 C ATOM 1302 OE1 GLU A 291 13.645 -4.175 -3.569 1.00 2.19 O ATOM 1303 OE2 GLU A 291 14.551 -6.165 -3.576 1.00 2.11 O ATOM 0 H GLU A 291 10.024 -4.164 -6.285 1.00 0.27 H new ATOM 0 HA GLU A 291 10.228 -7.065 -5.645 1.00 0.22 H new ATOM 0 HB2 GLU A 291 11.080 -4.579 -4.096 1.00 0.26 H new ATOM 0 HB3 GLU A 291 11.085 -6.207 -3.447 1.00 0.26 H new ATOM 0 HG2 GLU A 291 12.754 -6.902 -5.113 1.00 0.53 H new ATOM 0 HG3 GLU A 291 12.704 -5.318 -5.859 1.00 0.53 H new ATOM 1310 N LYS A 292 7.980 -6.934 -4.507 1.00 0.18 N ATOM 1311 CA LYS A 292 6.648 -6.811 -3.924 1.00 0.16 C ATOM 1312 C LYS A 292 6.478 -7.654 -2.663 1.00 0.17 C ATOM 1313 O LYS A 292 6.909 -8.803 -2.602 1.00 0.29 O ATOM 1314 CB LYS A 292 5.565 -7.151 -4.950 1.00 0.18 C ATOM 1315 CG LYS A 292 5.831 -8.407 -5.754 1.00 0.23 C ATOM 1316 CD LYS A 292 4.724 -8.646 -6.763 1.00 0.29 C ATOM 1317 CE LYS A 292 5.098 -9.745 -7.745 1.00 0.49 C ATOM 1318 NZ LYS A 292 3.971 -10.106 -8.643 1.00 1.33 N ATOM 0 H LYS A 292 8.259 -7.885 -4.748 1.00 0.18 H new ATOM 0 HA LYS A 292 6.534 -5.768 -3.628 1.00 0.16 H new ATOM 0 HB2 LYS A 292 4.613 -7.262 -4.431 1.00 0.18 H new ATOM 0 HB3 LYS A 292 5.457 -6.312 -5.637 1.00 0.18 H new ATOM 0 HG2 LYS A 292 6.787 -8.318 -6.270 1.00 0.23 H new ATOM 0 HG3 LYS A 292 5.909 -9.263 -5.084 1.00 0.23 H new ATOM 0 HD2 LYS A 292 3.806 -8.918 -6.241 1.00 0.29 H new ATOM 0 HD3 LYS A 292 4.520 -7.724 -7.307 1.00 0.29 H new ATOM 0 HE2 LYS A 292 5.948 -9.419 -8.345 1.00 0.49 H new ATOM 0 HE3 LYS A 292 5.418 -10.629 -7.193 1.00 0.49 H new ATOM 0 HZ1 LYS A 292 4.273 -10.859 -9.294 1.00 1.33 H new ATOM 0 HZ2 LYS A 292 3.168 -10.442 -8.074 1.00 1.33 H new ATOM 0 HZ3 LYS A 292 3.682 -9.270 -9.190 1.00 1.33 H new ATOM 1332 N CYS A 293 5.814 -7.062 -1.672 1.00 0.16 N ATOM 1333 CA CYS A 293 5.481 -7.739 -0.420 1.00 0.18 C ATOM 1334 C CYS A 293 3.986 -7.683 -0.203 1.00 0.15 C ATOM 1335 O CYS A 293 3.387 -6.613 -0.309 1.00 0.14 O ATOM 1336 CB CYS A 293 6.184 -7.084 0.757 1.00 0.28 C ATOM 1337 SG CYS A 293 7.927 -7.491 0.869 1.00 1.55 S ATOM 0 H CYS A 293 5.491 -6.096 -1.715 1.00 0.16 H new ATOM 0 HA CYS A 293 5.813 -8.775 -0.489 1.00 0.18 H new ATOM 0 HB2 CYS A 293 6.076 -6.002 0.678 1.00 0.28 H new ATOM 0 HB3 CYS A 293 5.689 -7.387 1.680 1.00 0.28 H new ATOM 0 HG CYS A 293 8.617 -6.402 1.040 1.00 1.55 H new ATOM 1343 N SER A 294 3.379 -8.845 -0.028 1.00 0.17 N ATOM 1344 CA SER A 294 1.933 -8.952 0.003 1.00 0.18 C ATOM 1345 C SER A 294 1.336 -8.610 1.353 1.00 0.17 C ATOM 1346 O SER A 294 1.816 -9.046 2.401 1.00 0.20 O ATOM 1347 CB SER A 294 1.513 -10.360 -0.418 1.00 0.27 C ATOM 1348 OG SER A 294 2.229 -11.340 0.316 1.00 0.61 O ATOM 0 H SER A 294 3.870 -9.731 0.095 1.00 0.17 H new ATOM 0 HA SER A 294 1.544 -8.216 -0.701 1.00 0.18 H new ATOM 0 HB2 SER A 294 0.443 -10.489 -0.257 1.00 0.27 H new ATOM 0 HB3 SER A 294 1.693 -10.494 -1.485 1.00 0.27 H new ATOM 0 HG SER A 294 3.023 -11.612 -0.189 1.00 0.61 H new ATOM 1354 N THR A 295 0.211 -7.927 1.290 1.00 0.17 N ATOM 1355 CA THR A 295 -0.578 -7.630 2.462 1.00 0.15 C ATOM 1356 C THR A 295 -2.048 -7.727 2.087 1.00 0.15 C ATOM 1357 O THR A 295 -2.438 -7.316 0.993 1.00 0.15 O ATOM 1358 CB THR A 295 -0.252 -6.222 3.019 1.00 0.18 C ATOM 1359 OG1 THR A 295 -0.205 -6.258 4.443 1.00 0.29 O ATOM 1360 CG2 THR A 295 -1.274 -5.175 2.587 1.00 0.20 C ATOM 0 H THR A 295 -0.180 -7.563 0.421 1.00 0.17 H new ATOM 0 HA THR A 295 -0.342 -8.348 3.247 1.00 0.15 H new ATOM 0 HB THR A 295 0.718 -5.938 2.611 1.00 0.18 H new ATOM 0 HG1 THR A 295 -0.364 -5.359 4.798 1.00 0.29 H new ATOM 0 HG21 THR A 295 -1.000 -4.206 3.004 1.00 0.20 H new ATOM 0 HG22 THR A 295 -1.291 -5.111 1.499 1.00 0.20 H new ATOM 0 HG23 THR A 295 -2.262 -5.460 2.949 1.00 0.20 H new ATOM 1368 N GLU A 296 -2.845 -8.360 2.929 1.00 0.15 N ATOM 1369 CA GLU A 296 -4.254 -8.508 2.626 1.00 0.15 C ATOM 1370 C GLU A 296 -4.981 -7.228 2.977 1.00 0.14 C ATOM 1371 O GLU A 296 -4.568 -6.501 3.876 1.00 0.19 O ATOM 1372 CB GLU A 296 -4.857 -9.686 3.374 1.00 0.18 C ATOM 1373 CG GLU A 296 -4.023 -10.940 3.268 1.00 0.22 C ATOM 1374 CD GLU A 296 -4.707 -12.139 3.879 1.00 0.34 C ATOM 1375 OE1 GLU A 296 -5.764 -12.552 3.363 1.00 0.96 O ATOM 1376 OE2 GLU A 296 -4.188 -12.683 4.874 1.00 0.76 O ATOM 0 H GLU A 296 -2.546 -8.773 3.813 1.00 0.15 H new ATOM 0 HA GLU A 296 -4.363 -8.706 1.560 1.00 0.15 H new ATOM 0 HB2 GLU A 296 -4.973 -9.421 4.425 1.00 0.18 H new ATOM 0 HB3 GLU A 296 -5.855 -9.885 2.983 1.00 0.18 H new ATOM 0 HG2 GLU A 296 -3.809 -11.143 2.219 1.00 0.22 H new ATOM 0 HG3 GLU A 296 -3.066 -10.779 3.764 1.00 0.22 H new ATOM 1383 N LEU A 297 -5.976 -6.890 2.193 1.00 0.15 N ATOM 1384 CA LEU A 297 -6.682 -5.643 2.379 1.00 0.15 C ATOM 1385 C LEU A 297 -8.185 -5.872 2.369 1.00 0.15 C ATOM 1386 O LEU A 297 -8.738 -6.440 1.424 1.00 0.23 O ATOM 1387 CB LEU A 297 -6.260 -4.648 1.299 1.00 0.22 C ATOM 1388 CG LEU A 297 -7.190 -3.463 1.091 1.00 0.21 C ATOM 1389 CD1 LEU A 297 -7.270 -2.637 2.354 1.00 0.26 C ATOM 1390 CD2 LEU A 297 -6.714 -2.621 -0.081 1.00 0.29 C ATOM 0 H LEU A 297 -6.316 -7.461 1.419 1.00 0.15 H new ATOM 0 HA LEU A 297 -6.424 -5.224 3.352 1.00 0.15 H new ATOM 0 HB2 LEU A 297 -5.269 -4.269 1.548 1.00 0.22 H new ATOM 0 HB3 LEU A 297 -6.168 -5.184 0.354 1.00 0.22 H new ATOM 0 HG LEU A 297 -8.190 -3.831 0.860 1.00 0.21 H new ATOM 0 HD11 LEU A 297 -7.939 -1.791 2.194 1.00 0.26 H new ATOM 0 HD12 LEU A 297 -7.653 -3.253 3.168 1.00 0.26 H new ATOM 0 HD13 LEU A 297 -6.277 -2.270 2.613 1.00 0.26 H new ATOM 0 HD21 LEU A 297 -7.388 -1.776 -0.219 1.00 0.29 H new ATOM 0 HD22 LEU A 297 -5.708 -2.253 0.120 1.00 0.29 H new ATOM 0 HD23 LEU A 297 -6.704 -3.229 -0.986 1.00 0.29 H new ATOM 1402 N PHE A 298 -8.816 -5.447 3.452 1.00 0.14 N ATOM 1403 CA PHE A 298 -10.250 -5.589 3.641 1.00 0.19 C ATOM 1404 C PHE A 298 -10.843 -4.220 3.946 1.00 0.19 C ATOM 1405 O PHE A 298 -10.166 -3.368 4.513 1.00 0.24 O ATOM 1406 CB PHE A 298 -10.557 -6.546 4.802 1.00 0.26 C ATOM 1407 CG PHE A 298 -9.799 -7.847 4.770 1.00 0.28 C ATOM 1408 CD1 PHE A 298 -8.474 -7.902 5.165 1.00 0.25 C ATOM 1409 CD2 PHE A 298 -10.404 -9.010 4.316 1.00 0.50 C ATOM 1410 CE1 PHE A 298 -7.769 -9.088 5.117 1.00 0.32 C ATOM 1411 CE2 PHE A 298 -9.706 -10.200 4.269 1.00 0.58 C ATOM 1412 CZ PHE A 298 -8.414 -10.258 4.750 1.00 0.45 C ATOM 0 H PHE A 298 -8.343 -4.990 4.231 1.00 0.14 H new ATOM 0 HA PHE A 298 -10.687 -6.000 2.731 1.00 0.19 H new ATOM 0 HB2 PHE A 298 -10.337 -6.037 5.741 1.00 0.26 H new ATOM 0 HB3 PHE A 298 -11.625 -6.765 4.801 1.00 0.26 H new ATOM 0 HD1 PHE A 298 -7.985 -7.005 5.516 1.00 0.25 H new ATOM 0 HD2 PHE A 298 -11.435 -8.984 3.995 1.00 0.50 H new ATOM 0 HE1 PHE A 298 -6.718 -9.104 5.365 1.00 0.32 H new ATOM 0 HE2 PHE A 298 -10.170 -11.084 3.857 1.00 0.58 H new ATOM 0 HZ PHE A 298 -7.909 -11.209 4.840 1.00 0.45 H new ATOM 1422 N VAL A 299 -12.070 -3.979 3.534 1.00 0.28 N ATOM 1423 CA VAL A 299 -12.684 -2.685 3.771 1.00 0.28 C ATOM 1424 C VAL A 299 -13.648 -2.720 4.957 1.00 0.32 C ATOM 1425 O VAL A 299 -14.511 -3.594 5.054 1.00 0.40 O ATOM 1426 CB VAL A 299 -13.409 -2.155 2.519 1.00 0.33 C ATOM 1427 CG1 VAL A 299 -14.323 -3.204 1.918 1.00 0.44 C ATOM 1428 CG2 VAL A 299 -14.180 -0.889 2.848 1.00 0.35 C ATOM 0 H VAL A 299 -12.657 -4.651 3.040 1.00 0.28 H new ATOM 0 HA VAL A 299 -11.870 -2.001 4.011 1.00 0.28 H new ATOM 0 HB VAL A 299 -12.653 -1.916 1.772 1.00 0.33 H new ATOM 0 HG11 VAL A 299 -14.817 -2.794 1.037 1.00 0.44 H new ATOM 0 HG12 VAL A 299 -13.736 -4.077 1.632 1.00 0.44 H new ATOM 0 HG13 VAL A 299 -15.074 -3.496 2.652 1.00 0.44 H new ATOM 0 HG21 VAL A 299 -14.686 -0.528 1.953 1.00 0.35 H new ATOM 0 HG22 VAL A 299 -14.918 -1.103 3.621 1.00 0.35 H new ATOM 0 HG23 VAL A 299 -13.490 -0.126 3.207 1.00 0.35 H new ATOM 1438 N LYS A 300 -13.553 -1.702 5.799 1.00 0.33 N ATOM 1439 CA LYS A 300 -14.484 -1.508 6.888 1.00 0.41 C ATOM 1440 C LYS A 300 -15.540 -0.495 6.457 1.00 0.40 C ATOM 1441 O LYS A 300 -15.207 0.621 6.040 1.00 0.37 O ATOM 1442 CB LYS A 300 -13.745 -0.997 8.127 1.00 0.48 C ATOM 1443 CG LYS A 300 -14.601 -0.935 9.382 1.00 1.17 C ATOM 1444 CD LYS A 300 -14.970 -2.323 9.879 1.00 1.72 C ATOM 1445 CE LYS A 300 -13.741 -3.125 10.285 1.00 2.32 C ATOM 1446 NZ LYS A 300 -13.003 -2.490 11.409 1.00 3.03 N ATOM 0 H LYS A 300 -12.826 -0.989 5.742 1.00 0.33 H new ATOM 0 HA LYS A 300 -14.961 -2.456 7.136 1.00 0.41 H new ATOM 0 HB2 LYS A 300 -12.888 -1.643 8.317 1.00 0.48 H new ATOM 0 HB3 LYS A 300 -13.354 -0.001 7.918 1.00 0.48 H new ATOM 0 HG2 LYS A 300 -14.062 -0.400 10.164 1.00 1.17 H new ATOM 0 HG3 LYS A 300 -15.509 -0.369 9.176 1.00 1.17 H new ATOM 0 HD2 LYS A 300 -15.645 -2.236 10.731 1.00 1.72 H new ATOM 0 HD3 LYS A 300 -15.510 -2.857 9.097 1.00 1.72 H new ATOM 0 HE2 LYS A 300 -14.045 -4.131 10.574 1.00 2.32 H new ATOM 0 HE3 LYS A 300 -13.076 -3.227 9.427 1.00 2.32 H new ATOM 0 HZ1 LYS A 300 -12.301 -3.159 11.786 1.00 3.03 H new ATOM 0 HZ2 LYS A 300 -12.518 -1.636 11.067 1.00 3.03 H new ATOM 0 HZ3 LYS A 300 -13.673 -2.230 12.161 1.00 3.03 H new ATOM 1460 N GLU A 301 -16.797 -0.891 6.542 1.00 0.50 N ATOM 1461 CA GLU A 301 -17.901 -0.020 6.168 1.00 0.57 C ATOM 1462 C GLU A 301 -18.040 1.112 7.184 1.00 0.65 C ATOM 1463 O GLU A 301 -18.014 2.290 6.790 1.00 1.41 O ATOM 1464 CB GLU A 301 -19.211 -0.810 6.117 1.00 0.83 C ATOM 1465 CG GLU A 301 -19.262 -1.834 5.005 1.00 0.66 C ATOM 1466 CD GLU A 301 -20.441 -2.776 5.117 1.00 0.90 C ATOM 1467 OE1 GLU A 301 -20.535 -3.498 6.127 1.00 1.21 O ATOM 1468 OE2 GLU A 301 -21.288 -2.793 4.195 1.00 1.44 O ATOM 1469 OXT GLU A 301 -18.181 0.807 8.388 1.00 1.20 O ATOM 0 H GLU A 301 -17.082 -1.815 6.868 1.00 0.50 H new ATOM 0 HA GLU A 301 -17.692 0.395 5.182 1.00 0.57 H new ATOM 0 HB2 GLU A 301 -19.357 -1.316 7.071 1.00 0.83 H new ATOM 0 HB3 GLU A 301 -20.040 -0.113 5.995 1.00 0.83 H new ATOM 0 HG2 GLU A 301 -19.307 -1.318 4.046 1.00 0.66 H new ATOM 0 HG3 GLU A 301 -18.339 -2.414 5.011 1.00 0.66 H new TER 1476 GLU A 301