USER MOD reduce.3.24.130724 H: found=0, std=0, add=899, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 899 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 404 HIS : no HD1:sc= -4.1! C(o=-5.2!,f=-4.8!) USER MOD Set 1.2: A 408 ASN : amide:sc= -1.1 X(o=-5.2,f=-5.3!) USER MOD Set 2.1: A 378 THR OG1 : rot -170:sc= 0.93 USER MOD Set 2.2: A 381 SER OG : rot -83:sc= 0.924 USER MOD Set 2.3: A 383 MET CE :methyl -160:sc= -3.98! (180deg=-6.66!) USER MOD Single : A 318 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 320 SER OG : rot -160:sc= 0 USER MOD Single : A 326 GLN : amide:sc= 0 X(o=0,f=-0.059) USER MOD Single : A 331 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 332 THR OG1 : rot 180:sc= -0.0388 USER MOD Single : A 338 GLN :FLIP amide:sc= -18! C(o=-21!,f=-18!) USER MOD Single : A 341 SER OG : rot -7:sc= -4.17! USER MOD Single : A 351 SER OG : rot -75:sc= -0.111 USER MOD Single : A 368 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 369 SER OG : rot -38:sc= -1.36! USER MOD Single : A 371 HIS : no HD1:sc= -0.0469 X(o=-0.047,f=-0.047) USER MOD Single : A 373 THR OG1 : rot 180:sc= 0 USER MOD Single : A 380 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 384 SER OG : rot -160:sc= 0 USER MOD Single : A 387 ASN :FLIP amide:sc= -6.3! C(o=-8.1!,f=-6.3!) USER MOD Single : A 390 ASN : amide:sc= -0.144 X(o=-0.14,f=-0.16) USER MOD Single : A 392 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 395 LYS NZ :NH3+ -179:sc= -7.51! (180deg=-7.62!) USER MOD Single : A 397 SER OG : rot -161:sc= -3.66! USER MOD Single : A 411 HIS : no HD1:sc= -0.466 K(o=-0.47,f=-1.2) USER MOD Single : A 414 THR OG1 : rot 180:sc= 0 USER MOD Single : A 418 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 419 LYS NZ :NH3+ -178:sc= 0.142! (180deg=-0.0311!) USER MOD Single : A 422 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 426 GLN : amide:sc= -2.2! C(o=-2.2!,f=-7.2!) USER MOD Single : A 429 THR OG1 : rot 180:sc= 0 USER MOD Single : A 437 SER OG : rot 180:sc= 0 USER MOD Single : A 446 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 39 N GLN A 318 113.178 -5.744 0.286 1.00 2.19 N ATOM 40 CA GLN A 318 111.887 -6.487 0.405 1.00 2.64 C ATOM 41 C GLN A 318 111.104 -5.947 1.600 1.00 2.16 C ATOM 42 O GLN A 318 111.672 -5.654 2.628 1.00 2.69 O ATOM 43 CB GLN A 318 112.279 -7.947 0.660 1.00 3.37 C ATOM 44 CG GLN A 318 113.490 -8.321 -0.195 1.00 4.16 C ATOM 45 CD GLN A 318 113.824 -9.800 0.007 1.00 4.79 C ATOM 46 OE1 GLN A 318 113.375 -10.411 0.955 1.00 4.85 O ATOM 47 NE2 GLN A 318 114.598 -10.405 -0.852 1.00 5.58 N ATOM 0 HA GLN A 318 111.266 -6.383 -0.485 1.00 2.64 H new ATOM 0 HB2 GLN A 318 112.510 -8.091 1.715 1.00 3.37 H new ATOM 0 HB3 GLN A 318 111.441 -8.603 0.425 1.00 3.37 H new ATOM 0 HG2 GLN A 318 113.280 -8.126 -1.247 1.00 4.16 H new ATOM 0 HG3 GLN A 318 114.346 -7.704 0.079 1.00 4.16 H new ATOM 0 HE21 GLN A 318 114.975 -9.892 -1.649 1.00 5.58 H new ATOM 0 HE22 GLN A 318 114.826 -11.391 -0.727 1.00 5.58 H new ATOM 56 N ALA A 319 109.806 -5.873 1.512 1.00 1.32 N ATOM 57 CA ALA A 319 109.028 -5.416 2.698 1.00 1.05 C ATOM 58 C ALA A 319 109.171 -6.423 3.832 1.00 0.89 C ATOM 59 O ALA A 319 108.778 -7.566 3.712 1.00 1.18 O ATOM 60 CB ALA A 319 107.577 -5.357 2.236 1.00 1.42 C ATOM 0 H ALA A 319 109.256 -6.105 0.685 1.00 1.32 H new ATOM 0 HA ALA A 319 109.377 -4.451 3.066 1.00 1.05 H new ATOM 0 HB1 ALA A 319 106.946 -5.027 3.061 1.00 1.42 H new ATOM 0 HB2 ALA A 319 107.487 -4.655 1.407 1.00 1.42 H new ATOM 0 HB3 ALA A 319 107.259 -6.347 1.909 1.00 1.42 H new ATOM 66 N SER A 320 109.656 -5.991 4.959 1.00 0.59 N ATOM 67 CA SER A 320 109.730 -6.913 6.124 1.00 0.64 C ATOM 68 C SER A 320 108.704 -6.515 7.190 1.00 0.49 C ATOM 69 O SER A 320 108.077 -7.357 7.801 1.00 0.50 O ATOM 70 CB SER A 320 111.154 -6.772 6.659 1.00 0.78 C ATOM 71 OG SER A 320 111.994 -7.720 6.014 1.00 1.60 O ATOM 0 H SER A 320 110.003 -5.046 5.125 1.00 0.59 H new ATOM 0 HA SER A 320 109.505 -7.942 5.846 1.00 0.64 H new ATOM 0 HB2 SER A 320 111.523 -5.762 6.482 1.00 0.78 H new ATOM 0 HB3 SER A 320 111.167 -6.931 7.737 1.00 0.78 H new ATOM 0 HG SER A 320 112.802 -7.860 6.551 1.00 1.60 H new ATOM 77 N GLU A 321 108.519 -5.243 7.414 1.00 0.45 N ATOM 78 CA GLU A 321 107.520 -4.808 8.435 1.00 0.44 C ATOM 79 C GLU A 321 106.785 -3.549 7.979 1.00 0.37 C ATOM 80 O GLU A 321 107.379 -2.629 7.466 1.00 0.35 O ATOM 81 CB GLU A 321 108.334 -4.515 9.690 1.00 0.59 C ATOM 82 CG GLU A 321 107.403 -4.011 10.792 1.00 0.73 C ATOM 83 CD GLU A 321 108.225 -3.632 12.025 1.00 1.02 C ATOM 84 OE1 GLU A 321 109.438 -3.739 11.957 1.00 1.30 O ATOM 85 OE2 GLU A 321 107.628 -3.242 13.014 1.00 1.82 O ATOM 0 H GLU A 321 109.013 -4.488 6.938 1.00 0.45 H new ATOM 0 HA GLU A 321 106.760 -5.571 8.602 1.00 0.44 H new ATOM 0 HB2 GLU A 321 108.852 -5.416 10.020 1.00 0.59 H new ATOM 0 HB3 GLU A 321 109.099 -3.769 9.475 1.00 0.59 H new ATOM 0 HG2 GLU A 321 106.839 -3.148 10.439 1.00 0.73 H new ATOM 0 HG3 GLU A 321 106.677 -4.782 11.049 1.00 0.73 H new ATOM 92 N PHE A 322 105.527 -3.445 8.295 1.00 0.40 N ATOM 93 CA PHE A 322 104.790 -2.175 8.026 1.00 0.37 C ATOM 94 C PHE A 322 104.304 -1.559 9.338 1.00 0.38 C ATOM 95 O PHE A 322 103.929 -2.255 10.261 1.00 0.42 O ATOM 96 CB PHE A 322 103.609 -2.569 7.140 1.00 0.41 C ATOM 97 CG PHE A 322 102.880 -3.737 7.757 1.00 0.52 C ATOM 98 CD1 PHE A 322 101.882 -3.516 8.716 1.00 0.94 C ATOM 99 CD2 PHE A 322 103.204 -5.044 7.371 1.00 0.67 C ATOM 100 CE1 PHE A 322 101.208 -4.604 9.288 1.00 1.14 C ATOM 101 CE2 PHE A 322 102.530 -6.132 7.942 1.00 0.87 C ATOM 102 CZ PHE A 322 101.532 -5.912 8.901 1.00 1.00 C ATOM 0 H PHE A 322 104.973 -4.184 8.729 1.00 0.40 H new ATOM 0 HA PHE A 322 105.421 -1.430 7.542 1.00 0.37 H new ATOM 0 HB2 PHE A 322 102.930 -1.724 7.024 1.00 0.41 H new ATOM 0 HB3 PHE A 322 103.962 -2.833 6.143 1.00 0.41 H new ATOM 0 HD1 PHE A 322 101.632 -2.508 9.014 1.00 0.94 H new ATOM 0 HD2 PHE A 322 103.974 -5.213 6.633 1.00 0.67 H new ATOM 0 HE1 PHE A 322 100.439 -4.435 10.027 1.00 1.14 H new ATOM 0 HE2 PHE A 322 102.780 -7.139 7.643 1.00 0.87 H new ATOM 0 HZ PHE A 322 101.013 -6.750 9.342 1.00 1.00 H new ATOM 112 N ILE A 323 104.255 -0.258 9.407 1.00 0.37 N ATOM 113 CA ILE A 323 103.730 0.400 10.641 1.00 0.41 C ATOM 114 C ILE A 323 102.696 1.469 10.280 1.00 0.43 C ATOM 115 O ILE A 323 102.881 2.217 9.341 1.00 0.53 O ATOM 116 CB ILE A 323 104.938 1.047 11.310 1.00 0.44 C ATOM 117 CG1 ILE A 323 106.138 0.098 11.254 1.00 0.46 C ATOM 118 CG2 ILE A 323 104.590 1.341 12.768 1.00 0.48 C ATOM 119 CD1 ILE A 323 107.007 0.444 10.043 1.00 0.52 C ATOM 0 H ILE A 323 104.554 0.378 8.667 1.00 0.37 H new ATOM 0 HA ILE A 323 103.238 -0.318 11.297 1.00 0.41 H new ATOM 0 HB ILE A 323 105.194 1.970 10.790 1.00 0.44 H new ATOM 0 HG12 ILE A 323 106.723 0.180 12.170 1.00 0.46 H new ATOM 0 HG13 ILE A 323 105.796 -0.935 11.186 1.00 0.46 H new ATOM 0 HG21 ILE A 323 105.445 1.804 13.260 1.00 0.48 H new ATOM 0 HG22 ILE A 323 103.737 2.018 12.809 1.00 0.48 H new ATOM 0 HG23 ILE A 323 104.339 0.410 13.277 1.00 0.48 H new ATOM 0 HD11 ILE A 323 107.861 -0.232 10.003 1.00 0.52 H new ATOM 0 HD12 ILE A 323 106.419 0.339 9.131 1.00 0.52 H new ATOM 0 HD13 ILE A 323 107.361 1.471 10.131 1.00 0.52 H new ATOM 131 N PRO A 324 101.603 1.452 10.998 1.00 0.36 N ATOM 132 CA PRO A 324 100.479 2.372 10.699 1.00 0.40 C ATOM 133 C PRO A 324 100.901 3.834 10.840 1.00 0.64 C ATOM 134 O PRO A 324 101.764 4.173 11.623 1.00 1.44 O ATOM 135 CB PRO A 324 99.419 2.039 11.744 1.00 0.33 C ATOM 136 CG PRO A 324 99.842 0.754 12.379 1.00 0.30 C ATOM 137 CD PRO A 324 101.317 0.582 12.142 1.00 0.29 C ATOM 0 HA PRO A 324 100.125 2.249 9.676 1.00 0.40 H new ATOM 0 HB2 PRO A 324 99.343 2.833 12.487 1.00 0.33 H new ATOM 0 HB3 PRO A 324 98.437 1.939 11.283 1.00 0.33 H new ATOM 0 HG2 PRO A 324 99.627 0.768 13.447 1.00 0.30 H new ATOM 0 HG3 PRO A 324 99.288 -0.082 11.953 1.00 0.30 H new ATOM 0 HD2 PRO A 324 101.897 0.873 13.018 1.00 0.29 H new ATOM 0 HD3 PRO A 324 101.567 -0.456 11.924 1.00 0.29 H new ATOM 145 N ALA A 325 100.175 4.711 10.205 1.00 0.75 N ATOM 146 CA ALA A 325 100.391 6.166 10.425 1.00 0.98 C ATOM 147 C ALA A 325 99.707 6.597 11.721 1.00 0.81 C ATOM 148 O ALA A 325 99.371 5.784 12.559 1.00 1.11 O ATOM 149 CB ALA A 325 99.735 6.846 9.223 1.00 1.58 C ATOM 0 H ALA A 325 99.437 4.480 9.539 1.00 0.75 H new ATOM 0 HA ALA A 325 101.446 6.425 10.513 1.00 0.98 H new ATOM 0 HB1 ALA A 325 99.850 7.927 9.309 1.00 1.58 H new ATOM 0 HB2 ALA A 325 100.212 6.502 8.305 1.00 1.58 H new ATOM 0 HB3 ALA A 325 98.675 6.595 9.197 1.00 1.58 H new ATOM 155 N GLN A 326 99.528 7.871 11.905 1.00 0.91 N ATOM 156 CA GLN A 326 98.898 8.359 13.164 1.00 1.48 C ATOM 157 C GLN A 326 97.466 7.825 13.289 1.00 1.32 C ATOM 158 O GLN A 326 96.545 8.353 12.697 1.00 1.83 O ATOM 159 CB GLN A 326 98.892 9.883 13.029 1.00 2.25 C ATOM 160 CG GLN A 326 98.430 10.511 14.345 1.00 3.14 C ATOM 161 CD GLN A 326 98.278 12.022 14.165 1.00 3.55 C ATOM 162 OE1 GLN A 326 97.558 12.474 13.296 1.00 4.00 O ATOM 163 NE2 GLN A 326 98.931 12.830 14.955 1.00 3.92 N ATOM 0 H GLN A 326 99.790 8.598 11.240 1.00 0.91 H new ATOM 0 HA GLN A 326 99.435 8.025 14.052 1.00 1.48 H new ATOM 0 HB2 GLN A 326 99.890 10.240 12.774 1.00 2.25 H new ATOM 0 HB3 GLN A 326 98.229 10.184 12.218 1.00 2.25 H new ATOM 0 HG2 GLN A 326 97.481 10.074 14.655 1.00 3.14 H new ATOM 0 HG3 GLN A 326 99.151 10.299 15.134 1.00 3.14 H new ATOM 0 HE21 GLN A 326 99.535 12.452 15.685 1.00 3.92 H new ATOM 0 HE22 GLN A 326 98.837 13.839 14.843 1.00 3.92 H new ATOM 172 N GLY A 327 97.255 6.852 14.137 1.00 1.28 N ATOM 173 CA GLY A 327 95.864 6.372 14.393 1.00 1.48 C ATOM 174 C GLY A 327 95.492 5.258 13.407 1.00 1.24 C ATOM 175 O GLY A 327 94.330 4.996 13.168 1.00 1.52 O ATOM 0 H GLY A 327 97.984 6.370 14.662 1.00 1.28 H new ATOM 0 HA2 GLY A 327 95.782 6.003 15.416 1.00 1.48 H new ATOM 0 HA3 GLY A 327 95.163 7.201 14.296 1.00 1.48 H new ATOM 179 N VAL A 328 96.461 4.640 12.789 1.00 0.93 N ATOM 180 CA VAL A 328 96.146 3.594 11.770 1.00 1.03 C ATOM 181 C VAL A 328 96.403 2.190 12.333 1.00 1.06 C ATOM 182 O VAL A 328 97.279 1.989 13.151 1.00 1.71 O ATOM 183 CB VAL A 328 97.088 3.881 10.602 1.00 1.43 C ATOM 184 CG1 VAL A 328 96.832 2.868 9.484 1.00 1.73 C ATOM 185 CG2 VAL A 328 96.830 5.295 10.077 1.00 1.57 C ATOM 0 H VAL A 328 97.454 4.812 12.943 1.00 0.93 H new ATOM 0 HA VAL A 328 95.098 3.622 11.470 1.00 1.03 H new ATOM 0 HB VAL A 328 98.122 3.800 10.938 1.00 1.43 H new ATOM 0 HG11 VAL A 328 97.503 3.070 8.649 1.00 1.73 H new ATOM 0 HG12 VAL A 328 97.012 1.860 9.858 1.00 1.73 H new ATOM 0 HG13 VAL A 328 95.799 2.951 9.147 1.00 1.73 H new ATOM 0 HG21 VAL A 328 97.501 5.502 9.243 1.00 1.57 H new ATOM 0 HG22 VAL A 328 95.797 5.375 9.739 1.00 1.57 H new ATOM 0 HG23 VAL A 328 97.008 6.017 10.874 1.00 1.57 H new ATOM 195 N ASP A 329 95.669 1.210 11.873 1.00 1.16 N ATOM 196 CA ASP A 329 95.903 -0.188 12.345 1.00 1.20 C ATOM 197 C ASP A 329 96.983 -0.867 11.491 1.00 1.16 C ATOM 198 O ASP A 329 97.089 -0.627 10.305 1.00 1.39 O ATOM 199 CB ASP A 329 94.558 -0.894 12.169 1.00 1.44 C ATOM 200 CG ASP A 329 93.531 -0.282 13.122 1.00 1.37 C ATOM 201 OD1 ASP A 329 93.937 0.447 14.012 1.00 2.02 O ATOM 202 OD2 ASP A 329 92.354 -0.553 12.947 1.00 1.69 O ATOM 0 H ASP A 329 94.918 1.317 11.191 1.00 1.16 H new ATOM 0 HA ASP A 329 96.251 -0.221 13.377 1.00 1.20 H new ATOM 0 HB2 ASP A 329 94.217 -0.797 11.138 1.00 1.44 H new ATOM 0 HB3 ASP A 329 94.666 -1.960 12.370 1.00 1.44 H new ATOM 207 N GLU A 330 97.825 -1.662 12.099 1.00 1.13 N ATOM 208 CA GLU A 330 98.946 -2.294 11.336 1.00 1.11 C ATOM 209 C GLU A 330 98.405 -3.264 10.281 1.00 0.97 C ATOM 210 O GLU A 330 98.885 -3.314 9.168 1.00 0.91 O ATOM 211 CB GLU A 330 99.753 -3.055 12.390 1.00 1.28 C ATOM 212 CG GLU A 330 98.980 -4.300 12.828 1.00 1.68 C ATOM 213 CD GLU A 330 99.727 -4.990 13.972 1.00 2.07 C ATOM 214 OE1 GLU A 330 100.818 -4.546 14.292 1.00 2.70 O ATOM 215 OE2 GLU A 330 99.197 -5.948 14.507 1.00 2.49 O ATOM 0 H GLU A 330 97.786 -1.902 13.090 1.00 1.13 H new ATOM 0 HA GLU A 330 99.546 -1.555 10.804 1.00 1.11 H new ATOM 0 HB2 GLU A 330 100.723 -3.341 11.983 1.00 1.28 H new ATOM 0 HB3 GLU A 330 99.945 -2.413 13.249 1.00 1.28 H new ATOM 0 HG2 GLU A 330 97.976 -4.023 13.150 1.00 1.68 H new ATOM 0 HG3 GLU A 330 98.867 -4.985 11.988 1.00 1.68 H new ATOM 222 N LYS A 331 97.392 -4.016 10.610 1.00 0.98 N ATOM 223 CA LYS A 331 96.813 -4.960 9.610 1.00 0.92 C ATOM 224 C LYS A 331 96.291 -4.191 8.395 1.00 0.81 C ATOM 225 O LYS A 331 96.528 -4.562 7.263 1.00 0.80 O ATOM 226 CB LYS A 331 95.665 -5.656 10.338 1.00 1.02 C ATOM 227 CG LYS A 331 95.079 -6.739 9.433 1.00 1.49 C ATOM 228 CD LYS A 331 93.913 -7.426 10.146 1.00 2.27 C ATOM 229 CE LYS A 331 93.435 -8.618 9.314 1.00 2.60 C ATOM 230 NZ LYS A 331 93.234 -9.718 10.298 1.00 3.03 N ATOM 0 H LYS A 331 96.940 -4.019 11.525 1.00 0.98 H new ATOM 0 HA LYS A 331 97.551 -5.672 9.241 1.00 0.92 H new ATOM 0 HB2 LYS A 331 96.023 -6.097 11.268 1.00 1.02 H new ATOM 0 HB3 LYS A 331 94.895 -4.932 10.604 1.00 1.02 H new ATOM 0 HG2 LYS A 331 94.737 -6.299 8.496 1.00 1.49 H new ATOM 0 HG3 LYS A 331 95.846 -7.471 9.180 1.00 1.49 H new ATOM 0 HD2 LYS A 331 94.225 -7.761 11.135 1.00 2.27 H new ATOM 0 HD3 LYS A 331 93.096 -6.720 10.292 1.00 2.27 H new ATOM 0 HE2 LYS A 331 92.510 -8.386 8.787 1.00 2.60 H new ATOM 0 HE3 LYS A 331 94.171 -8.893 8.559 1.00 2.60 H new ATOM 0 HZ1 LYS A 331 92.906 -10.571 9.802 1.00 3.03 H new ATOM 0 HZ2 LYS A 331 94.133 -9.922 10.779 1.00 3.03 H new ATOM 0 HZ3 LYS A 331 92.523 -9.430 11.000 1.00 3.03 H new ATOM 244 N THR A 332 95.591 -3.117 8.620 1.00 0.78 N ATOM 245 CA THR A 332 95.063 -2.322 7.475 1.00 0.74 C ATOM 246 C THR A 332 96.214 -1.806 6.612 1.00 0.65 C ATOM 247 O THR A 332 96.172 -1.872 5.400 1.00 0.66 O ATOM 248 CB THR A 332 94.316 -1.155 8.120 1.00 0.77 C ATOM 249 OG1 THR A 332 93.301 -1.658 8.976 1.00 0.90 O ATOM 250 CG2 THR A 332 93.689 -0.284 7.031 1.00 0.82 C ATOM 0 H THR A 332 95.361 -2.754 9.545 1.00 0.78 H new ATOM 0 HA THR A 332 94.419 -2.913 6.824 1.00 0.74 H new ATOM 0 HB THR A 332 95.014 -0.554 8.703 1.00 0.77 H new ATOM 0 HG1 THR A 332 92.823 -0.910 9.391 1.00 0.90 H new ATOM 0 HG21 THR A 332 93.157 0.548 7.492 1.00 0.82 H new ATOM 0 HG22 THR A 332 94.472 0.103 6.379 1.00 0.82 H new ATOM 0 HG23 THR A 332 92.991 -0.881 6.445 1.00 0.82 H new ATOM 258 N LEU A 333 97.233 -1.271 7.221 1.00 0.59 N ATOM 259 CA LEU A 333 98.369 -0.726 6.425 1.00 0.57 C ATOM 260 C LEU A 333 99.007 -1.816 5.560 1.00 0.58 C ATOM 261 O LEU A 333 99.285 -1.615 4.394 1.00 0.54 O ATOM 262 CB LEU A 333 99.368 -0.219 7.463 1.00 0.68 C ATOM 263 CG LEU A 333 100.735 -0.037 6.804 1.00 0.64 C ATOM 264 CD1 LEU A 333 100.637 1.012 5.695 1.00 0.93 C ATOM 265 CD2 LEU A 333 101.740 0.428 7.852 1.00 0.87 C ATOM 0 H LEU A 333 97.330 -1.187 8.233 1.00 0.59 H new ATOM 0 HA LEU A 333 98.044 0.059 5.742 1.00 0.57 H new ATOM 0 HB2 LEU A 333 99.025 0.727 7.882 1.00 0.68 H new ATOM 0 HB3 LEU A 333 99.441 -0.926 8.289 1.00 0.68 H new ATOM 0 HG LEU A 333 101.061 -0.985 6.376 1.00 0.64 H new ATOM 0 HD11 LEU A 333 101.613 1.139 5.227 1.00 0.93 H new ATOM 0 HD12 LEU A 333 99.916 0.684 4.946 1.00 0.93 H new ATOM 0 HD13 LEU A 333 100.312 1.962 6.120 1.00 0.93 H new ATOM 0 HD21 LEU A 333 102.717 0.559 7.386 1.00 0.87 H new ATOM 0 HD22 LEU A 333 101.410 1.376 8.277 1.00 0.87 H new ATOM 0 HD23 LEU A 333 101.812 -0.318 8.643 1.00 0.87 H new ATOM 277 N ALA A 334 99.239 -2.967 6.115 1.00 0.66 N ATOM 278 CA ALA A 334 99.860 -4.055 5.316 1.00 0.73 C ATOM 279 C ALA A 334 98.977 -4.373 4.114 1.00 0.68 C ATOM 280 O ALA A 334 99.437 -4.526 3.007 1.00 0.66 O ATOM 281 CB ALA A 334 99.929 -5.252 6.265 1.00 0.87 C ATOM 0 H ALA A 334 99.027 -3.203 7.084 1.00 0.66 H new ATOM 0 HA ALA A 334 100.845 -3.787 4.933 1.00 0.73 H new ATOM 0 HB1 ALA A 334 100.378 -6.101 5.748 1.00 0.87 H new ATOM 0 HB2 ALA A 334 100.536 -4.994 7.133 1.00 0.87 H new ATOM 0 HB3 ALA A 334 98.923 -5.516 6.591 1.00 0.87 H new ATOM 287 N ASP A 335 97.710 -4.486 4.328 1.00 0.67 N ATOM 288 CA ASP A 335 96.799 -4.835 3.202 1.00 0.65 C ATOM 289 C ASP A 335 96.834 -3.775 2.097 1.00 0.62 C ATOM 290 O ASP A 335 96.882 -4.098 0.928 1.00 0.69 O ATOM 291 CB ASP A 335 95.418 -4.891 3.829 1.00 0.67 C ATOM 292 CG ASP A 335 94.409 -5.423 2.810 1.00 1.19 C ATOM 293 OD1 ASP A 335 94.833 -5.811 1.734 1.00 1.96 O ATOM 294 OD2 ASP A 335 93.230 -5.434 3.124 1.00 1.61 O ATOM 0 H ASP A 335 97.256 -4.353 5.232 1.00 0.67 H new ATOM 0 HA ASP A 335 97.090 -5.773 2.730 1.00 0.65 H new ATOM 0 HB2 ASP A 335 95.434 -5.534 4.709 1.00 0.67 H new ATOM 0 HB3 ASP A 335 95.120 -3.898 4.165 1.00 0.67 H new ATOM 299 N ALA A 336 96.828 -2.519 2.445 1.00 0.60 N ATOM 300 CA ALA A 336 96.873 -1.467 1.389 1.00 0.62 C ATOM 301 C ALA A 336 98.173 -1.579 0.600 1.00 0.51 C ATOM 302 O ALA A 336 98.197 -1.399 -0.600 1.00 0.55 O ATOM 303 CB ALA A 336 96.799 -0.130 2.128 1.00 0.76 C ATOM 0 H ALA A 336 96.794 -2.176 3.405 1.00 0.60 H new ATOM 0 HA ALA A 336 96.054 -1.568 0.676 1.00 0.62 H new ATOM 0 HB1 ALA A 336 96.828 0.687 1.407 1.00 0.76 H new ATOM 0 HB2 ALA A 336 95.870 -0.079 2.696 1.00 0.76 H new ATOM 0 HB3 ALA A 336 97.646 -0.043 2.808 1.00 0.76 H new ATOM 309 N ALA A 337 99.250 -1.910 1.250 1.00 0.46 N ATOM 310 CA ALA A 337 100.535 -2.063 0.504 1.00 0.50 C ATOM 311 C ALA A 337 100.442 -3.243 -0.471 1.00 0.62 C ATOM 312 O ALA A 337 100.982 -3.206 -1.559 1.00 0.72 O ATOM 313 CB ALA A 337 101.597 -2.334 1.569 1.00 0.50 C ATOM 0 H ALA A 337 99.301 -2.081 2.254 1.00 0.46 H new ATOM 0 HA ALA A 337 100.772 -1.177 -0.084 1.00 0.50 H new ATOM 0 HB1 ALA A 337 102.569 -2.457 1.091 1.00 0.50 H new ATOM 0 HB2 ALA A 337 101.638 -1.495 2.264 1.00 0.50 H new ATOM 0 HB3 ALA A 337 101.343 -3.243 2.113 1.00 0.50 H new ATOM 319 N GLN A 338 99.737 -4.277 -0.099 1.00 0.71 N ATOM 320 CA GLN A 338 99.581 -5.444 -1.015 1.00 0.91 C ATOM 321 C GLN A 338 98.787 -5.070 -2.268 1.00 0.94 C ATOM 322 O GLN A 338 99.215 -5.322 -3.376 1.00 1.06 O ATOM 323 CB GLN A 338 98.827 -6.488 -0.205 1.00 1.03 C ATOM 324 CG GLN A 338 99.831 -7.371 0.528 1.00 1.03 C ATOM 325 CD GLN A 338 100.894 -6.508 1.225 1.00 0.94 C ATOM 326 OE1 GLN A 338 101.931 -6.084 0.565 1.00 1.72 O flip ATOM 327 NE2 GLN A 338 100.797 -6.242 2.399 1.00 0.69 N flip ATOM 0 H GLN A 338 99.262 -4.364 0.800 1.00 0.71 H new ATOM 0 HA GLN A 338 100.548 -5.806 -1.363 1.00 0.91 H new ATOM 0 HB2 GLN A 338 98.162 -6.002 0.509 1.00 1.03 H new ATOM 0 HB3 GLN A 338 98.202 -7.094 -0.861 1.00 1.03 H new ATOM 0 HG2 GLN A 338 99.314 -7.987 1.264 1.00 1.03 H new ATOM 0 HG3 GLN A 338 100.310 -8.051 -0.177 1.00 1.03 H new ATOM 0 HE21 GLN A 338 99.990 -6.567 2.931 1.00 0.69 H new ATOM 0 HE22 GLN A 338 101.523 -5.692 2.859 1.00 0.69 H new ATOM 336 N LEU A 339 97.596 -4.569 -2.116 1.00 0.86 N ATOM 337 CA LEU A 339 96.764 -4.305 -3.327 1.00 0.90 C ATOM 338 C LEU A 339 97.365 -3.157 -4.146 1.00 0.84 C ATOM 339 O LEU A 339 97.388 -3.197 -5.361 1.00 1.00 O ATOM 340 CB LEU A 339 95.361 -3.952 -2.823 1.00 0.80 C ATOM 341 CG LEU A 339 95.438 -2.995 -1.634 1.00 1.01 C ATOM 342 CD1 LEU A 339 94.713 -1.701 -1.985 1.00 1.34 C ATOM 343 CD2 LEU A 339 94.757 -3.643 -0.426 1.00 1.58 C ATOM 0 H LEU A 339 97.165 -4.333 -1.222 1.00 0.86 H new ATOM 0 HA LEU A 339 96.728 -5.174 -3.983 1.00 0.90 H new ATOM 0 HB2 LEU A 339 94.785 -3.495 -3.627 1.00 0.80 H new ATOM 0 HB3 LEU A 339 94.835 -4.861 -2.531 1.00 0.80 H new ATOM 0 HG LEU A 339 96.480 -2.780 -1.399 1.00 1.01 H new ATOM 0 HD11 LEU A 339 94.765 -1.014 -1.140 1.00 1.34 H new ATOM 0 HD12 LEU A 339 95.186 -1.243 -2.854 1.00 1.34 H new ATOM 0 HD13 LEU A 339 93.669 -1.919 -2.212 1.00 1.34 H new ATOM 0 HD21 LEU A 339 94.808 -2.966 0.427 1.00 1.58 H new ATOM 0 HD22 LEU A 339 93.713 -3.849 -0.664 1.00 1.58 H new ATOM 0 HD23 LEU A 339 95.264 -4.576 -0.179 1.00 1.58 H new ATOM 355 N ALA A 340 97.898 -2.160 -3.496 1.00 0.74 N ATOM 356 CA ALA A 340 98.551 -1.046 -4.240 1.00 0.93 C ATOM 357 C ALA A 340 99.827 -1.541 -4.927 1.00 1.36 C ATOM 358 O ALA A 340 100.362 -0.892 -5.804 1.00 2.24 O ATOM 359 CB ALA A 340 98.890 -0.007 -3.172 1.00 0.82 C ATOM 0 H ALA A 340 97.910 -2.068 -2.480 1.00 0.74 H new ATOM 0 HA ALA A 340 97.908 -0.639 -5.021 1.00 0.93 H new ATOM 0 HB1 ALA A 340 99.376 0.850 -3.639 1.00 0.82 H new ATOM 0 HB2 ALA A 340 97.975 0.320 -2.679 1.00 0.82 H new ATOM 0 HB3 ALA A 340 99.562 -0.448 -2.435 1.00 0.82 H new ATOM 365 N SER A 341 100.302 -2.700 -4.556 1.00 1.07 N ATOM 366 CA SER A 341 101.525 -3.249 -5.216 1.00 1.44 C ATOM 367 C SER A 341 101.137 -4.214 -6.341 1.00 1.51 C ATOM 368 O SER A 341 101.928 -4.518 -7.210 1.00 2.65 O ATOM 369 CB SER A 341 102.293 -3.976 -4.108 1.00 2.84 C ATOM 370 OG SER A 341 101.503 -5.044 -3.612 1.00 3.56 O ATOM 0 H SER A 341 99.899 -3.289 -3.828 1.00 1.07 H new ATOM 0 HA SER A 341 102.130 -2.466 -5.673 1.00 1.44 H new ATOM 0 HB2 SER A 341 103.238 -4.357 -4.495 1.00 2.84 H new ATOM 0 HB3 SER A 341 102.535 -3.283 -3.302 1.00 2.84 H new ATOM 0 HG SER A 341 100.608 -5.000 -4.009 1.00 3.56 H new ATOM 376 N LEU A 342 99.911 -4.661 -6.360 1.00 1.19 N ATOM 377 CA LEU A 342 99.471 -5.561 -7.466 1.00 2.40 C ATOM 378 C LEU A 342 99.647 -4.861 -8.813 1.00 2.59 C ATOM 379 O LEU A 342 99.795 -5.494 -9.840 1.00 3.62 O ATOM 380 CB LEU A 342 97.988 -5.825 -7.206 1.00 3.39 C ATOM 381 CG LEU A 342 97.814 -6.508 -5.851 1.00 3.93 C ATOM 382 CD1 LEU A 342 96.358 -6.945 -5.689 1.00 4.36 C ATOM 383 CD2 LEU A 342 98.726 -7.735 -5.778 1.00 3.74 C ATOM 0 H LEU A 342 99.198 -4.444 -5.663 1.00 1.19 H new ATOM 0 HA LEU A 342 100.052 -6.483 -7.497 1.00 2.40 H new ATOM 0 HB2 LEU A 342 97.433 -4.887 -7.225 1.00 3.39 H new ATOM 0 HB3 LEU A 342 97.577 -6.454 -7.996 1.00 3.39 H new ATOM 0 HG LEU A 342 98.078 -5.812 -5.054 1.00 3.93 H new ATOM 0 HD11 LEU A 342 96.230 -7.433 -4.723 1.00 4.36 H new ATOM 0 HD12 LEU A 342 95.708 -6.072 -5.744 1.00 4.36 H new ATOM 0 HD13 LEU A 342 96.097 -7.642 -6.485 1.00 4.36 H new ATOM 0 HD21 LEU A 342 98.603 -8.223 -4.811 1.00 3.74 H new ATOM 0 HD22 LEU A 342 98.462 -8.432 -6.573 1.00 3.74 H new ATOM 0 HD23 LEU A 342 99.764 -7.424 -5.898 1.00 3.74 H new ATOM 395 N ALA A 343 99.542 -3.560 -8.827 1.00 2.04 N ATOM 396 CA ALA A 343 99.603 -2.819 -10.117 1.00 2.90 C ATOM 397 C ALA A 343 101.045 -2.410 -10.445 1.00 2.34 C ATOM 398 O ALA A 343 101.318 -1.879 -11.504 1.00 2.96 O ATOM 399 CB ALA A 343 98.725 -1.585 -9.902 1.00 3.81 C ATOM 0 H ALA A 343 99.416 -2.978 -7.999 1.00 2.04 H new ATOM 0 HA ALA A 343 99.260 -3.427 -10.954 1.00 2.90 H new ATOM 0 HB1 ALA A 343 98.716 -0.982 -10.810 1.00 3.81 H new ATOM 0 HB2 ALA A 343 97.708 -1.899 -9.665 1.00 3.81 H new ATOM 0 HB3 ALA A 343 99.124 -0.994 -9.078 1.00 3.81 H new ATOM 405 N ASP A 344 101.976 -2.688 -9.573 1.00 1.46 N ATOM 406 CA ASP A 344 103.397 -2.349 -9.880 1.00 1.77 C ATOM 407 C ASP A 344 104.119 -3.573 -10.454 1.00 1.92 C ATOM 408 O ASP A 344 103.942 -4.683 -9.991 1.00 1.99 O ATOM 409 CB ASP A 344 104.012 -1.920 -8.543 1.00 1.69 C ATOM 410 CG ASP A 344 104.340 -3.150 -7.690 1.00 2.00 C ATOM 411 OD1 ASP A 344 105.141 -3.957 -8.129 1.00 2.84 O ATOM 412 OD2 ASP A 344 103.791 -3.257 -6.607 1.00 1.89 O ATOM 0 H ASP A 344 101.817 -3.131 -8.668 1.00 1.46 H new ATOM 0 HA ASP A 344 103.481 -1.558 -10.626 1.00 1.77 H new ATOM 0 HB2 ASP A 344 104.918 -1.340 -8.721 1.00 1.69 H new ATOM 0 HB3 ASP A 344 103.319 -1.272 -8.007 1.00 1.69 H new ATOM 460 N GLU A 348 110.429 -5.654 -6.386 1.00 1.76 N ATOM 461 CA GLU A 348 110.210 -5.341 -4.945 1.00 1.64 C ATOM 462 C GLU A 348 108.711 -5.282 -4.642 1.00 1.41 C ATOM 463 O GLU A 348 108.261 -5.688 -3.590 1.00 1.31 O ATOM 464 CB GLU A 348 110.856 -3.971 -4.735 1.00 1.72 C ATOM 465 CG GLU A 348 112.366 -4.080 -4.963 1.00 2.14 C ATOM 466 CD GLU A 348 113.026 -2.730 -4.682 1.00 2.49 C ATOM 467 OE1 GLU A 348 112.302 -1.767 -4.492 1.00 3.25 O ATOM 468 OE2 GLU A 348 114.245 -2.681 -4.661 1.00 2.49 O ATOM 0 HA GLU A 348 110.638 -6.097 -4.286 1.00 1.64 H new ATOM 0 HB2 GLU A 348 110.425 -3.244 -5.423 1.00 1.72 H new ATOM 0 HB3 GLU A 348 110.655 -3.613 -3.726 1.00 1.72 H new ATOM 0 HG2 GLU A 348 112.788 -4.845 -4.311 1.00 2.14 H new ATOM 0 HG3 GLU A 348 112.568 -4.388 -5.989 1.00 2.14 H new ATOM 475 N GLY A 349 107.927 -4.814 -5.573 1.00 1.42 N ATOM 476 CA GLY A 349 106.455 -4.772 -5.352 1.00 1.30 C ATOM 477 C GLY A 349 105.946 -6.178 -5.033 1.00 1.23 C ATOM 478 O GLY A 349 104.979 -6.353 -4.318 1.00 1.23 O ATOM 0 H GLY A 349 108.242 -4.459 -6.476 1.00 1.42 H new ATOM 0 HA2 GLY A 349 106.219 -4.094 -4.532 1.00 1.30 H new ATOM 0 HA3 GLY A 349 105.954 -4.385 -6.240 1.00 1.30 H new ATOM 482 N ARG A 350 106.658 -7.185 -5.456 1.00 1.19 N ATOM 483 CA ARG A 350 106.281 -8.573 -5.066 1.00 1.15 C ATOM 484 C ARG A 350 106.724 -8.848 -3.634 1.00 1.06 C ATOM 485 O ARG A 350 106.022 -9.471 -2.867 1.00 0.94 O ATOM 486 CB ARG A 350 107.026 -9.481 -6.040 1.00 1.18 C ATOM 487 CG ARG A 350 106.850 -8.946 -7.457 1.00 1.81 C ATOM 488 CD ARG A 350 107.454 -9.933 -8.458 1.00 2.33 C ATOM 489 NE ARG A 350 107.388 -9.237 -9.773 1.00 2.77 N ATOM 490 CZ ARG A 350 107.453 -9.922 -10.884 1.00 3.16 C ATOM 491 NH1 ARG A 350 107.579 -11.222 -10.851 1.00 3.46 N ATOM 492 NH2 ARG A 350 107.391 -9.305 -12.033 1.00 3.62 N ATOM 0 H ARG A 350 107.482 -7.108 -6.053 1.00 1.19 H new ATOM 0 HA ARG A 350 105.204 -8.736 -5.107 1.00 1.15 H new ATOM 0 HB2 ARG A 350 108.084 -9.521 -5.782 1.00 1.18 H new ATOM 0 HB3 ARG A 350 106.643 -10.499 -5.972 1.00 1.18 H new ATOM 0 HG2 ARG A 350 105.792 -8.797 -7.671 1.00 1.81 H new ATOM 0 HG3 ARG A 350 107.334 -7.974 -7.552 1.00 1.81 H new ATOM 0 HD2 ARG A 350 108.482 -10.183 -8.195 1.00 2.33 H new ATOM 0 HD3 ARG A 350 106.894 -10.868 -8.478 1.00 2.33 H new ATOM 0 HE ARG A 350 107.292 -8.222 -9.807 1.00 2.77 H new ATOM 0 HH11 ARG A 350 107.627 -11.707 -9.955 1.00 3.46 H new ATOM 0 HH12 ARG A 350 107.629 -11.752 -11.721 1.00 3.46 H new ATOM 0 HH21 ARG A 350 107.292 -8.290 -12.062 1.00 3.62 H new ATOM 0 HH22 ARG A 350 107.442 -9.838 -12.901 1.00 3.62 H new ATOM 506 N SER A 351 107.867 -8.360 -3.252 1.00 1.15 N ATOM 507 CA SER A 351 108.318 -8.575 -1.848 1.00 1.10 C ATOM 508 C SER A 351 107.256 -8.042 -0.882 1.00 0.97 C ATOM 509 O SER A 351 106.891 -8.690 0.074 1.00 0.87 O ATOM 510 CB SER A 351 109.616 -7.779 -1.715 1.00 1.25 C ATOM 511 OG SER A 351 109.312 -6.394 -1.634 1.00 2.40 O ATOM 0 H SER A 351 108.505 -7.826 -3.842 1.00 1.15 H new ATOM 0 HA SER A 351 108.471 -9.629 -1.615 1.00 1.10 H new ATOM 0 HB2 SER A 351 110.161 -8.096 -0.826 1.00 1.25 H new ATOM 0 HB3 SER A 351 110.263 -7.971 -2.571 1.00 1.25 H new ATOM 0 HG SER A 351 109.066 -6.061 -2.522 1.00 2.40 H new ATOM 517 N ILE A 352 106.709 -6.894 -1.170 1.00 1.00 N ATOM 518 CA ILE A 352 105.613 -6.346 -0.322 1.00 0.93 C ATOM 519 C ILE A 352 104.369 -7.253 -0.363 1.00 0.80 C ATOM 520 O ILE A 352 103.819 -7.610 0.665 1.00 0.70 O ATOM 521 CB ILE A 352 105.344 -4.975 -0.941 1.00 1.08 C ATOM 522 CG1 ILE A 352 106.522 -4.056 -0.620 1.00 1.16 C ATOM 523 CG2 ILE A 352 104.059 -4.369 -0.384 1.00 1.16 C ATOM 524 CD1 ILE A 352 106.313 -2.710 -1.304 1.00 1.39 C ATOM 0 H ILE A 352 106.976 -6.308 -1.961 1.00 1.00 H new ATOM 0 HA ILE A 352 105.875 -6.283 0.734 1.00 0.93 H new ATOM 0 HB ILE A 352 105.229 -5.086 -2.019 1.00 1.08 H new ATOM 0 HG12 ILE A 352 106.608 -3.919 0.458 1.00 1.16 H new ATOM 0 HG13 ILE A 352 107.454 -4.508 -0.959 1.00 1.16 H new ATOM 0 HG21 ILE A 352 103.889 -3.394 -0.840 1.00 1.16 H new ATOM 0 HG22 ILE A 352 103.219 -5.026 -0.610 1.00 1.16 H new ATOM 0 HG23 ILE A 352 104.149 -4.254 0.696 1.00 1.16 H new ATOM 0 HD11 ILE A 352 107.152 -2.052 -1.077 1.00 1.39 H new ATOM 0 HD12 ILE A 352 106.248 -2.856 -2.382 1.00 1.39 H new ATOM 0 HD13 ILE A 352 105.389 -2.258 -0.943 1.00 1.39 H new ATOM 536 N VAL A 353 103.907 -7.618 -1.531 1.00 0.86 N ATOM 537 CA VAL A 353 102.686 -8.482 -1.612 1.00 0.82 C ATOM 538 C VAL A 353 102.881 -9.786 -0.822 1.00 0.77 C ATOM 539 O VAL A 353 102.007 -10.224 -0.099 1.00 0.77 O ATOM 540 CB VAL A 353 102.514 -8.790 -3.100 1.00 0.97 C ATOM 541 CG1 VAL A 353 101.364 -9.783 -3.286 1.00 1.18 C ATOM 542 CG2 VAL A 353 102.194 -7.501 -3.858 1.00 1.10 C ATOM 0 H VAL A 353 104.317 -7.359 -2.428 1.00 0.86 H new ATOM 0 HA VAL A 353 101.814 -7.985 -1.186 1.00 0.82 H new ATOM 0 HB VAL A 353 103.437 -9.221 -3.487 1.00 0.97 H new ATOM 0 HG11 VAL A 353 101.241 -10.003 -4.347 1.00 1.18 H new ATOM 0 HG12 VAL A 353 101.588 -10.704 -2.748 1.00 1.18 H new ATOM 0 HG13 VAL A 353 100.443 -9.350 -2.896 1.00 1.18 H new ATOM 0 HG21 VAL A 353 102.072 -7.723 -4.918 1.00 1.10 H new ATOM 0 HG22 VAL A 353 101.272 -7.070 -3.469 1.00 1.10 H new ATOM 0 HG23 VAL A 353 103.010 -6.790 -3.728 1.00 1.10 H new ATOM 552 N ILE A 354 104.072 -10.310 -0.817 1.00 0.79 N ATOM 553 CA ILE A 354 104.374 -11.473 0.070 1.00 0.84 C ATOM 554 C ILE A 354 104.337 -11.053 1.535 1.00 0.72 C ATOM 555 O ILE A 354 103.890 -11.788 2.389 1.00 0.77 O ATOM 556 CB ILE A 354 105.780 -11.901 -0.317 1.00 0.97 C ATOM 557 CG1 ILE A 354 105.809 -12.285 -1.798 1.00 1.21 C ATOM 558 CG2 ILE A 354 106.205 -13.095 0.538 1.00 1.11 C ATOM 559 CD1 ILE A 354 107.257 -12.333 -2.287 1.00 1.36 C ATOM 0 H ILE A 354 104.853 -9.986 -1.388 1.00 0.79 H new ATOM 0 HA ILE A 354 103.647 -12.277 -0.047 1.00 0.84 H new ATOM 0 HB ILE A 354 106.471 -11.075 -0.148 1.00 0.97 H new ATOM 0 HG12 ILE A 354 105.334 -13.255 -1.942 1.00 1.21 H new ATOM 0 HG13 ILE A 354 105.241 -11.562 -2.383 1.00 1.21 H new ATOM 0 HG21 ILE A 354 107.213 -13.401 0.260 1.00 1.11 H new ATOM 0 HG22 ILE A 354 106.189 -12.813 1.591 1.00 1.11 H new ATOM 0 HG23 ILE A 354 105.516 -13.924 0.374 1.00 1.11 H new ATOM 0 HD11 ILE A 354 107.276 -12.607 -3.342 1.00 1.36 H new ATOM 0 HD12 ILE A 354 107.717 -11.353 -2.158 1.00 1.36 H new ATOM 0 HD13 ILE A 354 107.811 -13.073 -1.710 1.00 1.36 H new ATOM 571 N LEU A 355 104.929 -9.946 1.847 1.00 0.63 N ATOM 572 CA LEU A 355 105.066 -9.560 3.278 1.00 0.62 C ATOM 573 C LEU A 355 103.736 -9.726 4.013 1.00 0.55 C ATOM 574 O LEU A 355 103.663 -10.350 5.050 1.00 0.61 O ATOM 575 CB LEU A 355 105.438 -8.088 3.239 1.00 0.64 C ATOM 576 CG LEU A 355 105.603 -7.567 4.667 1.00 0.73 C ATOM 577 CD1 LEU A 355 106.771 -8.287 5.341 1.00 1.14 C ATOM 578 CD2 LEU A 355 105.883 -6.062 4.634 1.00 1.15 C ATOM 0 H LEU A 355 105.326 -9.287 1.177 1.00 0.63 H new ATOM 0 HA LEU A 355 105.801 -10.176 3.797 1.00 0.62 H new ATOM 0 HB2 LEU A 355 106.364 -7.950 2.681 1.00 0.64 H new ATOM 0 HB3 LEU A 355 104.666 -7.520 2.720 1.00 0.64 H new ATOM 0 HG LEU A 355 104.688 -7.754 5.228 1.00 0.73 H new ATOM 0 HD11 LEU A 355 106.889 -7.916 6.359 1.00 1.14 H new ATOM 0 HD12 LEU A 355 106.572 -9.358 5.366 1.00 1.14 H new ATOM 0 HD13 LEU A 355 107.686 -8.101 4.779 1.00 1.14 H new ATOM 0 HD21 LEU A 355 106.000 -5.691 5.652 1.00 1.15 H new ATOM 0 HD22 LEU A 355 106.798 -5.874 4.072 1.00 1.15 H new ATOM 0 HD23 LEU A 355 105.050 -5.547 4.154 1.00 1.15 H new ATOM 590 N ALA A 356 102.672 -9.230 3.455 1.00 0.52 N ATOM 591 CA ALA A 356 101.348 -9.436 4.106 1.00 0.54 C ATOM 592 C ALA A 356 101.026 -10.928 4.144 1.00 0.53 C ATOM 593 O ALA A 356 100.437 -11.427 5.084 1.00 0.57 O ATOM 594 CB ALA A 356 100.349 -8.697 3.224 1.00 0.61 C ATOM 0 H ALA A 356 102.658 -8.696 2.586 1.00 0.52 H new ATOM 0 HA ALA A 356 101.325 -9.069 5.132 1.00 0.54 H new ATOM 0 HB1 ALA A 356 99.347 -8.803 3.641 1.00 0.61 H new ATOM 0 HB2 ALA A 356 100.614 -7.640 3.181 1.00 0.61 H new ATOM 0 HB3 ALA A 356 100.370 -9.118 2.219 1.00 0.61 H new ATOM 755 N ARG A 365 94.423 -9.052 -4.379 1.00 1.36 N ATOM 756 CA ARG A 365 92.973 -8.873 -4.675 1.00 1.73 C ATOM 757 C ARG A 365 92.768 -8.653 -6.173 1.00 1.59 C ATOM 758 O ARG A 365 93.479 -7.897 -6.805 1.00 1.56 O ATOM 759 CB ARG A 365 92.557 -7.632 -3.887 1.00 1.83 C ATOM 760 CG ARG A 365 92.722 -7.897 -2.389 1.00 2.15 C ATOM 761 CD ARG A 365 92.209 -6.693 -1.597 1.00 2.41 C ATOM 762 NE ARG A 365 92.615 -6.959 -0.188 1.00 3.18 N ATOM 763 CZ ARG A 365 91.967 -7.840 0.528 1.00 3.60 C ATOM 764 NH1 ARG A 365 90.960 -8.494 0.013 1.00 4.16 N ATOM 765 NH2 ARG A 365 92.329 -8.067 1.760 1.00 3.72 N ATOM 0 HA ARG A 365 92.382 -9.746 -4.397 1.00 1.73 H new ATOM 0 HB2 ARG A 365 93.166 -6.778 -4.185 1.00 1.83 H new ATOM 0 HB3 ARG A 365 91.521 -7.378 -4.110 1.00 1.83 H new ATOM 0 HG2 ARG A 365 92.171 -8.794 -2.105 1.00 2.15 H new ATOM 0 HG3 ARG A 365 93.771 -8.079 -2.155 1.00 2.15 H new ATOM 0 HD2 ARG A 365 92.644 -5.764 -1.965 1.00 2.41 H new ATOM 0 HD3 ARG A 365 91.127 -6.595 -1.684 1.00 2.41 H new ATOM 0 HE ARG A 365 93.401 -6.452 0.219 1.00 3.18 H new ATOM 0 HH11 ARG A 365 90.677 -8.318 -0.951 1.00 4.16 H new ATOM 0 HH12 ARG A 365 90.457 -9.181 0.575 1.00 4.16 H new ATOM 0 HH21 ARG A 365 93.116 -7.558 2.162 1.00 3.72 H new ATOM 0 HH22 ARG A 365 91.825 -8.754 2.321 1.00 3.72 H new ATOM 779 N ASP A 366 91.792 -9.302 -6.745 1.00 1.70 N ATOM 780 CA ASP A 366 91.532 -9.123 -8.200 1.00 1.93 C ATOM 781 C ASP A 366 90.904 -7.753 -8.451 1.00 2.04 C ATOM 782 O ASP A 366 89.801 -7.475 -8.024 1.00 2.65 O ATOM 783 CB ASP A 366 90.557 -10.241 -8.563 1.00 2.62 C ATOM 784 CG ASP A 366 91.274 -11.590 -8.485 1.00 2.50 C ATOM 785 OD1 ASP A 366 92.487 -11.588 -8.364 1.00 2.50 O ATOM 786 OD2 ASP A 366 90.596 -12.602 -8.548 1.00 2.86 O ATOM 0 H ASP A 366 91.164 -9.948 -6.268 1.00 1.70 H new ATOM 0 HA ASP A 366 92.442 -9.169 -8.798 1.00 1.93 H new ATOM 0 HB2 ASP A 366 89.705 -10.230 -7.883 1.00 2.62 H new ATOM 0 HB3 ASP A 366 90.165 -10.084 -9.568 1.00 2.62 H new ATOM 791 N VAL A 367 91.605 -6.889 -9.131 1.00 1.75 N ATOM 792 CA VAL A 367 91.056 -5.531 -9.399 1.00 2.31 C ATOM 793 C VAL A 367 89.888 -5.613 -10.389 1.00 2.53 C ATOM 794 O VAL A 367 88.880 -4.953 -10.229 1.00 3.04 O ATOM 795 CB VAL A 367 92.222 -4.751 -10.008 1.00 2.28 C ATOM 796 CG1 VAL A 367 91.725 -3.391 -10.491 1.00 2.89 C ATOM 797 CG2 VAL A 367 93.315 -4.549 -8.955 1.00 2.52 C ATOM 0 H VAL A 367 92.534 -7.065 -9.513 1.00 1.75 H new ATOM 0 HA VAL A 367 90.670 -5.056 -8.497 1.00 2.31 H new ATOM 0 HB VAL A 367 92.631 -5.311 -10.849 1.00 2.28 H new ATOM 0 HG11 VAL A 367 92.555 -2.834 -10.925 1.00 2.89 H new ATOM 0 HG12 VAL A 367 90.950 -3.533 -11.244 1.00 2.89 H new ATOM 0 HG13 VAL A 367 91.315 -2.833 -9.649 1.00 2.89 H new ATOM 0 HG21 VAL A 367 94.144 -3.993 -9.393 1.00 2.52 H new ATOM 0 HG22 VAL A 367 92.909 -3.991 -8.112 1.00 2.52 H new ATOM 0 HG23 VAL A 367 93.671 -5.519 -8.610 1.00 2.52 H new ATOM 807 N GLN A 368 90.039 -6.370 -11.442 1.00 2.20 N ATOM 808 CA GLN A 368 88.964 -6.435 -12.476 1.00 2.40 C ATOM 809 C GLN A 368 87.730 -7.165 -11.935 1.00 2.11 C ATOM 810 O GLN A 368 86.614 -6.860 -12.308 1.00 2.30 O ATOM 811 CB GLN A 368 89.567 -7.204 -13.647 1.00 2.46 C ATOM 812 CG GLN A 368 88.614 -7.122 -14.841 1.00 3.09 C ATOM 813 CD GLN A 368 89.171 -7.950 -16.000 1.00 3.29 C ATOM 814 OE1 GLN A 368 89.322 -9.150 -15.888 1.00 3.32 O ATOM 815 NE2 GLN A 368 89.487 -7.355 -17.118 1.00 3.69 N ATOM 0 H GLN A 368 90.859 -6.946 -11.632 1.00 2.20 H new ATOM 0 HA GLN A 368 88.634 -5.439 -12.771 1.00 2.40 H new ATOM 0 HB2 GLN A 368 90.538 -6.786 -13.911 1.00 2.46 H new ATOM 0 HB3 GLN A 368 89.733 -8.245 -13.368 1.00 2.46 H new ATOM 0 HG2 GLN A 368 87.628 -7.491 -14.558 1.00 3.09 H new ATOM 0 HG3 GLN A 368 88.490 -6.084 -15.149 1.00 3.09 H new ATOM 0 HE21 GLN A 368 89.360 -6.347 -17.213 1.00 3.69 H new ATOM 0 HE22 GLN A 368 89.860 -7.898 -17.897 1.00 3.69 H new ATOM 824 N SER A 369 87.899 -7.978 -10.929 1.00 1.80 N ATOM 825 CA SER A 369 86.703 -8.535 -10.235 1.00 1.87 C ATOM 826 C SER A 369 86.059 -7.435 -9.394 1.00 1.79 C ATOM 827 O SER A 369 84.856 -7.384 -9.234 1.00 2.27 O ATOM 828 CB SER A 369 87.228 -9.667 -9.353 1.00 2.47 C ATOM 829 OG SER A 369 87.996 -9.116 -8.291 1.00 3.05 O ATOM 0 H SER A 369 88.802 -8.278 -10.561 1.00 1.80 H new ATOM 0 HA SER A 369 85.946 -8.904 -10.927 1.00 1.87 H new ATOM 0 HB2 SER A 369 86.397 -10.248 -8.953 1.00 2.47 H new ATOM 0 HB3 SER A 369 87.839 -10.350 -9.943 1.00 2.47 H new ATOM 0 HG SER A 369 88.519 -8.357 -8.625 1.00 3.05 H new ATOM 835 N LEU A 370 86.833 -6.454 -9.025 1.00 1.38 N ATOM 836 CA LEU A 370 86.251 -5.240 -8.393 1.00 1.39 C ATOM 837 C LEU A 370 85.936 -4.201 -9.471 1.00 1.12 C ATOM 838 O LEU A 370 85.607 -3.069 -9.172 1.00 1.30 O ATOM 839 CB LEU A 370 87.347 -4.725 -7.464 1.00 1.54 C ATOM 840 CG LEU A 370 87.802 -5.850 -6.536 1.00 1.39 C ATOM 841 CD1 LEU A 370 89.049 -5.407 -5.772 1.00 1.80 C ATOM 842 CD2 LEU A 370 86.683 -6.170 -5.542 1.00 2.14 C ATOM 0 H LEU A 370 87.847 -6.441 -9.135 1.00 1.38 H new ATOM 0 HA LEU A 370 85.324 -5.446 -7.858 1.00 1.39 H new ATOM 0 HB2 LEU A 370 88.191 -4.358 -8.049 1.00 1.54 H new ATOM 0 HB3 LEU A 370 86.976 -3.884 -6.878 1.00 1.54 H new ATOM 0 HG LEU A 370 88.033 -6.738 -7.125 1.00 1.39 H new ATOM 0 HD11 LEU A 370 89.374 -6.209 -5.110 1.00 1.80 H new ATOM 0 HD12 LEU A 370 89.846 -5.175 -6.479 1.00 1.80 H new ATOM 0 HD13 LEU A 370 88.818 -4.520 -5.182 1.00 1.80 H new ATOM 0 HD21 LEU A 370 87.004 -6.973 -4.878 1.00 2.14 H new ATOM 0 HD22 LEU A 370 86.454 -5.282 -4.953 1.00 2.14 H new ATOM 0 HD23 LEU A 370 85.792 -6.484 -6.086 1.00 2.14 H new ATOM 854 N HIS A 371 86.182 -4.526 -10.715 1.00 1.29 N ATOM 855 CA HIS A 371 86.058 -3.497 -11.782 1.00 1.13 C ATOM 856 C HIS A 371 86.969 -2.322 -11.444 1.00 1.00 C ATOM 857 O HIS A 371 86.702 -1.186 -11.782 1.00 1.35 O ATOM 858 CB HIS A 371 84.599 -3.062 -11.743 1.00 1.54 C ATOM 859 CG HIS A 371 83.708 -4.272 -11.820 1.00 1.50 C ATOM 860 ND1 HIS A 371 83.574 -5.018 -12.979 1.00 1.97 N ATOM 861 CD2 HIS A 371 82.900 -4.876 -10.890 1.00 1.80 C ATOM 862 CE1 HIS A 371 82.715 -6.021 -12.720 1.00 2.10 C ATOM 863 NE2 HIS A 371 82.273 -5.981 -11.459 1.00 1.80 N ATOM 0 H HIS A 371 86.461 -5.454 -11.033 1.00 1.29 H new ATOM 0 HA HIS A 371 86.341 -3.869 -12.767 1.00 1.13 H new ATOM 0 HB2 HIS A 371 84.399 -2.508 -10.826 1.00 1.54 H new ATOM 0 HB3 HIS A 371 84.388 -2.389 -12.574 1.00 1.54 H new ATOM 0 HD2 HIS A 371 82.770 -4.544 -9.870 1.00 1.80 H new ATOM 0 HE1 HIS A 371 82.419 -6.767 -13.443 1.00 2.10 H new ATOM 0 HE2 HIS A 371 81.618 -6.622 -11.011 1.00 1.80 H new ATOM 871 N ALA A 372 88.028 -2.595 -10.744 1.00 0.75 N ATOM 872 CA ALA A 372 88.961 -1.512 -10.326 1.00 0.94 C ATOM 873 C ALA A 372 90.058 -1.312 -11.379 1.00 0.90 C ATOM 874 O ALA A 372 89.942 -1.742 -12.510 1.00 1.04 O ATOM 875 CB ALA A 372 89.565 -1.998 -9.008 1.00 1.12 C ATOM 0 H ALA A 372 88.293 -3.532 -10.439 1.00 0.75 H new ATOM 0 HA ALA A 372 88.454 -0.553 -10.216 1.00 0.94 H new ATOM 0 HB1 ALA A 372 90.267 -1.253 -8.633 1.00 1.12 H new ATOM 0 HB2 ALA A 372 88.770 -2.149 -8.277 1.00 1.12 H new ATOM 0 HB3 ALA A 372 90.089 -2.939 -9.173 1.00 1.12 H new ATOM 881 N THR A 373 91.099 -0.620 -11.015 1.00 0.85 N ATOM 882 CA THR A 373 92.202 -0.324 -11.976 1.00 0.95 C ATOM 883 C THR A 373 93.562 -0.489 -11.293 1.00 0.93 C ATOM 884 O THR A 373 93.755 -0.071 -10.175 1.00 0.95 O ATOM 885 CB THR A 373 91.998 1.136 -12.367 1.00 1.32 C ATOM 886 OG1 THR A 373 90.797 1.266 -13.115 1.00 2.11 O ATOM 887 CG2 THR A 373 93.186 1.620 -13.199 1.00 1.90 C ATOM 0 H THR A 373 91.237 -0.240 -10.078 1.00 0.85 H new ATOM 0 HA THR A 373 92.186 -0.995 -12.835 1.00 0.95 H new ATOM 0 HB THR A 373 91.926 1.744 -11.465 1.00 1.32 H new ATOM 0 HG1 THR A 373 90.667 2.205 -13.364 1.00 2.11 H new ATOM 0 HG21 THR A 373 93.035 2.663 -13.476 1.00 1.90 H new ATOM 0 HG22 THR A 373 94.101 1.528 -12.614 1.00 1.90 H new ATOM 0 HG23 THR A 373 93.270 1.014 -14.101 1.00 1.90 H new ATOM 895 N PHE A 374 94.537 -0.976 -12.002 1.00 1.01 N ATOM 896 CA PHE A 374 95.919 -1.021 -11.434 1.00 1.25 C ATOM 897 C PHE A 374 96.658 0.280 -11.778 1.00 1.63 C ATOM 898 O PHE A 374 96.607 0.748 -12.899 1.00 1.61 O ATOM 899 CB PHE A 374 96.605 -2.197 -12.137 1.00 1.33 C ATOM 900 CG PHE A 374 95.983 -3.508 -11.720 1.00 1.63 C ATOM 901 CD1 PHE A 374 96.320 -4.089 -10.488 1.00 2.53 C ATOM 902 CD2 PHE A 374 95.083 -4.157 -12.578 1.00 1.41 C ATOM 903 CE1 PHE A 374 95.757 -5.317 -10.115 1.00 3.09 C ATOM 904 CE2 PHE A 374 94.518 -5.384 -12.202 1.00 1.89 C ATOM 905 CZ PHE A 374 94.855 -5.965 -10.971 1.00 2.72 C ATOM 0 H PHE A 374 94.443 -1.345 -12.948 1.00 1.01 H new ATOM 0 HA PHE A 374 95.914 -1.133 -10.350 1.00 1.25 H new ATOM 0 HB2 PHE A 374 96.524 -2.078 -13.217 1.00 1.33 H new ATOM 0 HB3 PHE A 374 97.668 -2.201 -11.896 1.00 1.33 H new ATOM 0 HD1 PHE A 374 97.013 -3.590 -9.827 1.00 2.53 H new ATOM 0 HD2 PHE A 374 94.825 -3.712 -13.528 1.00 1.41 H new ATOM 0 HE1 PHE A 374 96.018 -5.765 -9.167 1.00 3.09 H new ATOM 0 HE2 PHE A 374 93.823 -5.882 -12.861 1.00 1.89 H new ATOM 0 HZ PHE A 374 94.420 -6.911 -10.683 1.00 2.72 H new ATOM 915 N VAL A 375 97.412 0.820 -10.861 1.00 2.14 N ATOM 916 CA VAL A 375 98.227 2.030 -11.185 1.00 2.61 C ATOM 917 C VAL A 375 99.710 1.651 -11.284 1.00 2.22 C ATOM 918 O VAL A 375 100.301 1.220 -10.314 1.00 1.65 O ATOM 919 CB VAL A 375 97.999 2.990 -10.019 1.00 3.32 C ATOM 920 CG1 VAL A 375 98.602 4.354 -10.358 1.00 4.00 C ATOM 921 CG2 VAL A 375 96.497 3.143 -9.770 1.00 3.65 C ATOM 0 H VAL A 375 97.501 0.479 -9.904 1.00 2.14 H new ATOM 0 HA VAL A 375 97.944 2.476 -12.138 1.00 2.61 H new ATOM 0 HB VAL A 375 98.476 2.594 -9.123 1.00 3.32 H new ATOM 0 HG11 VAL A 375 98.440 5.040 -9.527 1.00 4.00 H new ATOM 0 HG12 VAL A 375 99.672 4.245 -10.535 1.00 4.00 H new ATOM 0 HG13 VAL A 375 98.124 4.750 -11.254 1.00 4.00 H new ATOM 0 HG21 VAL A 375 96.334 3.828 -8.938 1.00 3.65 H new ATOM 0 HG22 VAL A 375 96.018 3.539 -10.665 1.00 3.65 H new ATOM 0 HG23 VAL A 375 96.067 2.171 -9.529 1.00 3.65 H new ATOM 931 N PRO A 376 100.238 1.754 -12.476 1.00 2.87 N ATOM 932 CA PRO A 376 101.639 1.332 -12.738 1.00 2.67 C ATOM 933 C PRO A 376 102.623 2.057 -11.812 1.00 2.48 C ATOM 934 O PRO A 376 102.381 3.159 -11.363 1.00 3.24 O ATOM 935 CB PRO A 376 101.885 1.721 -14.199 1.00 3.84 C ATOM 936 CG PRO A 376 100.738 2.602 -14.590 1.00 4.63 C ATOM 937 CD PRO A 376 99.588 2.271 -13.681 1.00 4.03 C ATOM 0 HA PRO A 376 101.787 0.268 -12.555 1.00 2.67 H new ATOM 0 HB2 PRO A 376 102.835 2.245 -14.309 1.00 3.84 H new ATOM 0 HB3 PRO A 376 101.933 0.837 -14.835 1.00 3.84 H new ATOM 0 HG2 PRO A 376 101.012 3.653 -14.496 1.00 4.63 H new ATOM 0 HG3 PRO A 376 100.464 2.436 -15.632 1.00 4.63 H new ATOM 0 HD2 PRO A 376 98.983 3.151 -13.464 1.00 4.03 H new ATOM 0 HD3 PRO A 376 98.925 1.530 -14.128 1.00 4.03 H new ATOM 945 N PHE A 377 103.753 1.449 -11.563 1.00 2.13 N ATOM 946 CA PHE A 377 104.798 2.093 -10.711 1.00 3.07 C ATOM 947 C PHE A 377 105.852 2.764 -11.596 1.00 3.61 C ATOM 948 O PHE A 377 106.518 2.121 -12.382 1.00 4.10 O ATOM 949 CB PHE A 377 105.414 0.925 -9.929 1.00 3.15 C ATOM 950 CG PHE A 377 106.537 1.412 -9.034 1.00 3.91 C ATOM 951 CD1 PHE A 377 106.742 2.784 -8.826 1.00 4.01 C ATOM 952 CD2 PHE A 377 107.383 0.479 -8.416 1.00 4.73 C ATOM 953 CE1 PHE A 377 107.787 3.223 -8.004 1.00 4.92 C ATOM 954 CE2 PHE A 377 108.431 0.919 -7.594 1.00 5.70 C ATOM 955 CZ PHE A 377 108.633 2.290 -7.389 1.00 5.79 C ATOM 0 H PHE A 377 104.000 0.525 -11.917 1.00 2.13 H new ATOM 0 HA PHE A 377 104.397 2.866 -10.056 1.00 3.07 H new ATOM 0 HB2 PHE A 377 104.646 0.440 -9.326 1.00 3.15 H new ATOM 0 HB3 PHE A 377 105.795 0.176 -10.624 1.00 3.15 H new ATOM 0 HD1 PHE A 377 106.092 3.504 -9.301 1.00 4.01 H new ATOM 0 HD2 PHE A 377 107.227 -0.578 -8.573 1.00 4.73 H new ATOM 0 HE1 PHE A 377 107.941 4.280 -7.844 1.00 4.92 H new ATOM 0 HE2 PHE A 377 109.082 0.200 -7.119 1.00 5.70 H new ATOM 0 HZ PHE A 377 109.441 2.628 -6.757 1.00 5.79 H new ATOM 965 N THR A 378 106.055 4.042 -11.424 1.00 3.85 N ATOM 966 CA THR A 378 107.121 4.736 -12.201 1.00 4.47 C ATOM 967 C THR A 378 108.249 5.163 -11.263 1.00 4.28 C ATOM 968 O THR A 378 108.014 5.562 -10.139 1.00 3.71 O ATOM 969 CB THR A 378 106.435 5.960 -12.811 1.00 4.59 C ATOM 970 OG1 THR A 378 106.166 6.909 -11.788 1.00 4.26 O ATOM 971 CG2 THR A 378 105.125 5.536 -13.475 1.00 5.29 C ATOM 0 H THR A 378 105.530 4.634 -10.781 1.00 3.85 H new ATOM 0 HA THR A 378 107.563 4.098 -12.966 1.00 4.47 H new ATOM 0 HB THR A 378 107.089 6.408 -13.559 1.00 4.59 H new ATOM 0 HG1 THR A 378 105.590 7.618 -12.143 1.00 4.26 H new ATOM 0 HG21 THR A 378 104.638 6.409 -13.909 1.00 5.29 H new ATOM 0 HG22 THR A 378 105.334 4.809 -14.260 1.00 5.29 H new ATOM 0 HG23 THR A 378 104.468 5.087 -12.730 1.00 5.29 H new ATOM 979 N ALA A 379 109.472 5.045 -11.705 1.00 5.01 N ATOM 980 CA ALA A 379 110.623 5.403 -10.828 1.00 5.10 C ATOM 981 C ALA A 379 110.754 6.923 -10.710 1.00 5.05 C ATOM 982 O ALA A 379 111.259 7.436 -9.731 1.00 5.37 O ATOM 983 CB ALA A 379 111.849 4.812 -11.525 1.00 6.13 C ATOM 0 H ALA A 379 109.724 4.716 -12.637 1.00 5.01 H new ATOM 0 HA ALA A 379 110.502 5.019 -9.815 1.00 5.10 H new ATOM 0 HB1 ALA A 379 112.742 5.033 -10.940 1.00 6.13 H new ATOM 0 HB2 ALA A 379 111.732 3.732 -11.614 1.00 6.13 H new ATOM 0 HB3 ALA A 379 111.949 5.249 -12.518 1.00 6.13 H new ATOM 989 N GLN A 380 110.367 7.646 -11.727 1.00 4.87 N ATOM 990 CA GLN A 380 110.545 9.127 -11.689 1.00 4.93 C ATOM 991 C GLN A 380 109.809 9.712 -10.482 1.00 4.05 C ATOM 992 O GLN A 380 110.374 10.445 -9.694 1.00 3.84 O ATOM 993 CB GLN A 380 109.926 9.633 -12.992 1.00 5.65 C ATOM 994 CG GLN A 380 110.706 9.070 -14.182 1.00 6.07 C ATOM 995 CD GLN A 380 110.153 9.658 -15.481 1.00 7.03 C ATOM 996 OE1 GLN A 380 110.461 10.778 -15.834 1.00 7.74 O ATOM 997 NE2 GLN A 380 109.341 8.944 -16.211 1.00 7.22 N ATOM 0 H GLN A 380 109.938 7.279 -12.577 1.00 4.87 H new ATOM 0 HA GLN A 380 111.591 9.418 -11.596 1.00 4.93 H new ATOM 0 HB2 GLN A 380 108.881 9.329 -13.052 1.00 5.65 H new ATOM 0 HB3 GLN A 380 109.943 10.723 -13.016 1.00 5.65 H new ATOM 0 HG2 GLN A 380 111.764 9.311 -14.083 1.00 6.07 H new ATOM 0 HG3 GLN A 380 110.627 7.983 -14.200 1.00 6.07 H new ATOM 0 HE21 GLN A 380 109.082 8.003 -15.914 1.00 7.22 H new ATOM 0 HE22 GLN A 380 108.965 9.327 -17.078 1.00 7.22 H new ATOM 1006 N SER A 381 108.588 9.306 -10.271 1.00 3.64 N ATOM 1007 CA SER A 381 107.862 9.740 -9.045 1.00 3.06 C ATOM 1008 C SER A 381 108.067 8.713 -7.931 1.00 2.42 C ATOM 1009 O SER A 381 107.685 8.927 -6.798 1.00 3.00 O ATOM 1010 CB SER A 381 106.391 9.800 -9.457 1.00 3.49 C ATOM 1011 OG SER A 381 105.872 8.479 -9.538 1.00 3.82 O ATOM 0 H SER A 381 108.062 8.693 -10.894 1.00 3.64 H new ATOM 0 HA SER A 381 108.216 10.699 -8.667 1.00 3.06 H new ATOM 0 HB2 SER A 381 105.822 10.383 -8.733 1.00 3.49 H new ATOM 0 HB3 SER A 381 106.291 10.302 -10.419 1.00 3.49 H new ATOM 0 HG SER A 381 106.096 8.092 -10.410 1.00 3.82 H new ATOM 1017 N ARG A 382 108.640 7.586 -8.253 1.00 1.65 N ATOM 1018 CA ARG A 382 108.835 6.529 -7.223 1.00 1.74 C ATOM 1019 C ARG A 382 107.495 6.191 -6.568 1.00 1.57 C ATOM 1020 O ARG A 382 107.350 6.260 -5.364 1.00 2.08 O ATOM 1021 CB ARG A 382 109.783 7.146 -6.193 1.00 2.53 C ATOM 1022 CG ARG A 382 111.073 7.589 -6.884 1.00 2.69 C ATOM 1023 CD ARG A 382 112.083 8.054 -5.832 1.00 2.89 C ATOM 1024 NE ARG A 382 113.209 8.637 -6.612 1.00 3.36 N ATOM 1025 CZ ARG A 382 113.061 9.785 -7.221 1.00 3.67 C ATOM 1026 NH1 ARG A 382 111.926 10.426 -7.152 1.00 3.72 N ATOM 1027 NH2 ARG A 382 114.053 10.290 -7.904 1.00 4.25 N ATOM 0 H ARG A 382 108.981 7.352 -9.185 1.00 1.65 H new ATOM 0 HA ARG A 382 109.235 5.608 -7.646 1.00 1.74 H new ATOM 0 HB2 ARG A 382 109.306 7.999 -5.710 1.00 2.53 H new ATOM 0 HB3 ARG A 382 110.008 6.421 -5.411 1.00 2.53 H new ATOM 0 HG2 ARG A 382 111.489 6.765 -7.463 1.00 2.69 H new ATOM 0 HG3 ARG A 382 110.864 8.397 -7.585 1.00 2.69 H new ATOM 0 HD2 ARG A 382 111.643 8.792 -5.161 1.00 2.89 H new ATOM 0 HD3 ARG A 382 112.420 7.222 -5.213 1.00 2.89 H new ATOM 0 HE ARG A 382 114.098 8.140 -6.672 1.00 3.36 H new ATOM 0 HH11 ARG A 382 111.149 10.032 -6.621 1.00 3.72 H new ATOM 0 HH12 ARG A 382 111.816 11.321 -7.629 1.00 3.72 H new ATOM 0 HH21 ARG A 382 114.940 9.789 -7.961 1.00 4.25 H new ATOM 0 HH22 ARG A 382 113.941 11.185 -8.380 1.00 4.25 H new ATOM 1041 N MET A 383 106.500 5.856 -7.347 1.00 1.27 N ATOM 1042 CA MET A 383 105.175 5.557 -6.741 1.00 1.19 C ATOM 1043 C MET A 383 104.373 4.584 -7.599 1.00 1.07 C ATOM 1044 O MET A 383 104.397 4.626 -8.812 1.00 1.14 O ATOM 1045 CB MET A 383 104.452 6.898 -6.652 1.00 1.32 C ATOM 1046 CG MET A 383 105.073 7.742 -5.540 1.00 1.51 C ATOM 1047 SD MET A 383 104.097 9.247 -5.321 1.00 2.09 S ATOM 1048 CE MET A 383 103.919 9.632 -7.077 1.00 1.57 C ATOM 0 H MET A 383 106.548 5.778 -8.363 1.00 1.27 H new ATOM 0 HA MET A 383 105.291 5.084 -5.766 1.00 1.19 H new ATOM 0 HB2 MET A 383 104.522 7.424 -7.604 1.00 1.32 H new ATOM 0 HB3 MET A 383 103.392 6.739 -6.453 1.00 1.32 H new ATOM 0 HG2 MET A 383 105.102 7.175 -4.610 1.00 1.51 H new ATOM 0 HG3 MET A 383 106.103 7.995 -5.791 1.00 1.51 H new ATOM 0 HE1 MET A 383 103.665 10.685 -7.195 1.00 1.57 H new ATOM 0 HE2 MET A 383 104.857 9.426 -7.592 1.00 1.57 H new ATOM 0 HE3 MET A 383 103.127 9.018 -7.506 1.00 1.57 H new ATOM 1058 N SER A 384 103.563 3.809 -6.950 1.00 0.97 N ATOM 1059 CA SER A 384 102.608 2.917 -7.655 1.00 1.02 C ATOM 1060 C SER A 384 101.356 2.804 -6.793 1.00 0.93 C ATOM 1061 O SER A 384 101.334 3.278 -5.679 1.00 0.83 O ATOM 1062 CB SER A 384 103.322 1.572 -7.751 1.00 1.23 C ATOM 1063 OG SER A 384 103.234 0.904 -6.501 1.00 1.18 O ATOM 0 H SER A 384 103.520 3.753 -5.932 1.00 0.97 H new ATOM 0 HA SER A 384 102.315 3.275 -8.642 1.00 1.02 H new ATOM 0 HB2 SER A 384 102.871 0.963 -8.534 1.00 1.23 H new ATOM 0 HB3 SER A 384 104.367 1.720 -8.024 1.00 1.23 H new ATOM 0 HG SER A 384 103.932 0.218 -6.447 1.00 1.18 H new ATOM 1069 N GLY A 385 100.309 2.213 -7.277 1.00 1.02 N ATOM 1070 CA GLY A 385 99.087 2.132 -6.434 1.00 1.00 C ATOM 1071 C GLY A 385 97.970 1.424 -7.181 1.00 0.95 C ATOM 1072 O GLY A 385 98.187 0.695 -8.126 1.00 1.13 O ATOM 0 H GLY A 385 100.242 1.788 -8.202 1.00 1.02 H new ATOM 0 HA2 GLY A 385 99.310 1.598 -5.510 1.00 1.00 H new ATOM 0 HA3 GLY A 385 98.765 3.135 -6.152 1.00 1.00 H new ATOM 1076 N ILE A 386 96.775 1.613 -6.722 1.00 0.80 N ATOM 1077 CA ILE A 386 95.609 0.940 -7.339 1.00 0.78 C ATOM 1078 C ILE A 386 94.391 1.842 -7.194 1.00 0.77 C ATOM 1079 O ILE A 386 94.275 2.593 -6.250 1.00 0.80 O ATOM 1080 CB ILE A 386 95.446 -0.333 -6.520 1.00 0.81 C ATOM 1081 CG1 ILE A 386 94.249 -1.143 -6.996 1.00 0.86 C ATOM 1082 CG2 ILE A 386 95.225 0.038 -5.064 1.00 0.84 C ATOM 1083 CD1 ILE A 386 94.200 -2.426 -6.170 1.00 1.26 C ATOM 0 H ILE A 386 96.551 2.216 -5.931 1.00 0.80 H new ATOM 0 HA ILE A 386 95.730 0.727 -8.401 1.00 0.78 H new ATOM 0 HB ILE A 386 96.349 -0.933 -6.638 1.00 0.81 H new ATOM 0 HG12 ILE A 386 93.328 -0.573 -6.873 1.00 0.86 H new ATOM 0 HG13 ILE A 386 94.341 -1.374 -8.057 1.00 0.86 H new ATOM 0 HG21 ILE A 386 95.107 -0.869 -4.471 1.00 0.84 H new ATOM 0 HG22 ILE A 386 96.083 0.602 -4.698 1.00 0.84 H new ATOM 0 HG23 ILE A 386 94.326 0.648 -4.976 1.00 0.84 H new ATOM 0 HD11 ILE A 386 93.351 -3.031 -6.487 1.00 1.26 H new ATOM 0 HD12 ILE A 386 95.122 -2.989 -6.317 1.00 1.26 H new ATOM 0 HD13 ILE A 386 94.093 -2.175 -5.115 1.00 1.26 H new ATOM 1095 N ASN A 387 93.444 1.709 -8.057 1.00 0.78 N ATOM 1096 CA ASN A 387 92.189 2.483 -7.891 1.00 0.83 C ATOM 1097 C ASN A 387 91.016 1.514 -7.919 1.00 0.92 C ATOM 1098 O ASN A 387 90.983 0.612 -8.721 1.00 0.86 O ATOM 1099 CB ASN A 387 92.125 3.428 -9.094 1.00 0.91 C ATOM 1100 CG ASN A 387 93.504 4.033 -9.354 1.00 1.31 C ATOM 1101 OD1 ASN A 387 94.280 4.309 -8.347 1.00 2.04 O flip ATOM 1102 ND2 ASN A 387 93.880 4.254 -10.489 1.00 1.81 N flip ATOM 0 H ASN A 387 93.477 1.099 -8.874 1.00 0.78 H new ATOM 0 HA ASN A 387 92.155 3.037 -6.953 1.00 0.83 H new ATOM 0 HB2 ASN A 387 91.784 2.886 -9.976 1.00 0.91 H new ATOM 0 HB3 ASN A 387 91.400 4.220 -8.907 1.00 0.91 H new ATOM 0 HD21 ASN A 387 93.272 4.038 -11.279 1.00 1.81 H new ATOM 0 HD22 ASN A 387 94.803 4.656 -10.651 1.00 1.81 H new ATOM 1109 N ILE A 388 90.027 1.709 -7.109 1.00 1.18 N ATOM 1110 CA ILE A 388 88.852 0.801 -7.188 1.00 1.31 C ATOM 1111 C ILE A 388 87.568 1.564 -6.891 1.00 1.70 C ATOM 1112 O ILE A 388 87.593 2.717 -6.511 1.00 1.89 O ATOM 1113 CB ILE A 388 89.104 -0.276 -6.142 1.00 1.24 C ATOM 1114 CG1 ILE A 388 87.919 -1.241 -6.107 1.00 1.66 C ATOM 1115 CG2 ILE A 388 89.264 0.383 -4.778 1.00 1.50 C ATOM 1116 CD1 ILE A 388 88.383 -2.590 -5.560 1.00 2.11 C ATOM 0 H ILE A 388 89.975 2.444 -6.404 1.00 1.18 H new ATOM 0 HA ILE A 388 88.732 0.371 -8.183 1.00 1.31 H new ATOM 0 HB ILE A 388 90.010 -0.828 -6.393 1.00 1.24 H new ATOM 0 HG12 ILE A 388 87.124 -0.836 -5.481 1.00 1.66 H new ATOM 0 HG13 ILE A 388 87.506 -1.364 -7.108 1.00 1.66 H new ATOM 0 HG21 ILE A 388 89.445 -0.382 -4.023 1.00 1.50 H new ATOM 0 HG22 ILE A 388 90.107 1.073 -4.804 1.00 1.50 H new ATOM 0 HG23 ILE A 388 88.355 0.930 -4.529 1.00 1.50 H new ATOM 0 HD11 ILE A 388 87.541 -3.281 -5.533 1.00 2.11 H new ATOM 0 HD12 ILE A 388 89.164 -2.994 -6.204 1.00 2.11 H new ATOM 0 HD13 ILE A 388 88.776 -2.458 -4.552 1.00 2.11 H new ATOM 1128 N ASP A 389 86.450 0.974 -7.200 1.00 1.97 N ATOM 1129 CA ASP A 389 85.154 1.707 -7.114 1.00 2.37 C ATOM 1130 C ASP A 389 84.787 2.140 -5.678 1.00 2.14 C ATOM 1131 O ASP A 389 83.732 2.703 -5.463 1.00 2.92 O ATOM 1132 CB ASP A 389 84.138 0.689 -7.618 1.00 2.65 C ATOM 1133 CG ASP A 389 84.295 0.512 -9.129 1.00 3.31 C ATOM 1134 OD1 ASP A 389 85.032 1.281 -9.722 1.00 3.85 O ATOM 1135 OD2 ASP A 389 83.674 -0.390 -9.666 1.00 3.63 O ATOM 0 H ASP A 389 86.375 0.006 -7.512 1.00 1.97 H new ATOM 0 HA ASP A 389 85.191 2.634 -7.685 1.00 2.37 H new ATOM 0 HB2 ASP A 389 84.284 -0.266 -7.113 1.00 2.65 H new ATOM 0 HB3 ASP A 389 83.127 1.023 -7.384 1.00 2.65 H new ATOM 1140 N ASN A 390 85.659 1.987 -4.716 1.00 1.20 N ATOM 1141 CA ASN A 390 85.343 2.515 -3.356 1.00 1.12 C ATOM 1142 C ASN A 390 86.608 3.027 -2.647 1.00 0.97 C ATOM 1143 O ASN A 390 86.577 3.328 -1.470 1.00 1.15 O ATOM 1144 CB ASN A 390 84.757 1.320 -2.602 1.00 1.13 C ATOM 1145 CG ASN A 390 84.062 1.810 -1.331 1.00 1.53 C ATOM 1146 OD1 ASN A 390 83.099 2.548 -1.397 1.00 2.33 O ATOM 1147 ND2 ASN A 390 84.511 1.428 -0.166 1.00 1.89 N ATOM 0 H ASN A 390 86.564 1.526 -4.810 1.00 1.20 H new ATOM 0 HA ASN A 390 84.657 3.360 -3.401 1.00 1.12 H new ATOM 0 HB2 ASN A 390 84.047 0.789 -3.236 1.00 1.13 H new ATOM 0 HB3 ASN A 390 85.547 0.614 -2.348 1.00 1.13 H new ATOM 0 HD21 ASN A 390 84.053 1.749 0.687 1.00 1.89 H new ATOM 0 HD22 ASN A 390 85.319 0.808 -0.109 1.00 1.89 H new ATOM 1154 N ARG A 391 87.741 3.013 -3.302 1.00 0.83 N ATOM 1155 CA ARG A 391 89.005 3.368 -2.593 1.00 0.73 C ATOM 1156 C ARG A 391 90.078 3.821 -3.584 1.00 0.74 C ATOM 1157 O ARG A 391 90.174 3.304 -4.676 1.00 1.10 O ATOM 1158 CB ARG A 391 89.451 2.076 -1.901 1.00 0.94 C ATOM 1159 CG ARG A 391 88.454 1.700 -0.803 1.00 1.05 C ATOM 1160 CD ARG A 391 89.016 0.537 0.018 1.00 1.30 C ATOM 1161 NE ARG A 391 87.902 0.129 0.919 1.00 1.92 N ATOM 1162 CZ ARG A 391 87.623 0.835 1.983 1.00 2.13 C ATOM 1163 NH1 ARG A 391 88.318 1.905 2.264 1.00 2.15 N ATOM 1164 NH2 ARG A 391 86.647 0.470 2.768 1.00 2.69 N ATOM 0 H ARG A 391 87.845 2.773 -4.288 1.00 0.83 H new ATOM 0 HA ARG A 391 88.853 4.188 -1.891 1.00 0.73 H new ATOM 0 HB2 ARG A 391 89.523 1.269 -2.630 1.00 0.94 H new ATOM 0 HB3 ARG A 391 90.444 2.208 -1.472 1.00 0.94 H new ATOM 0 HG2 ARG A 391 88.267 2.558 -0.157 1.00 1.05 H new ATOM 0 HG3 ARG A 391 87.498 1.419 -1.245 1.00 1.05 H new ATOM 0 HD2 ARG A 391 89.326 -0.287 -0.625 1.00 1.30 H new ATOM 0 HD3 ARG A 391 89.893 0.844 0.588 1.00 1.30 H new ATOM 0 HE ARG A 391 87.355 -0.705 0.705 1.00 1.92 H new ATOM 0 HH11 ARG A 391 89.082 2.192 1.652 1.00 2.15 H new ATOM 0 HH12 ARG A 391 88.097 2.453 3.095 1.00 2.15 H new ATOM 0 HH21 ARG A 391 86.103 -0.365 2.551 1.00 2.69 H new ATOM 0 HH22 ARG A 391 86.428 1.020 3.599 1.00 2.69 H new ATOM 1178 N MET A 392 91.030 4.576 -3.115 1.00 0.48 N ATOM 1179 CA MET A 392 92.257 4.804 -3.931 1.00 0.51 C ATOM 1180 C MET A 392 93.491 4.529 -3.064 1.00 0.48 C ATOM 1181 O MET A 392 93.534 4.900 -1.908 1.00 0.52 O ATOM 1182 CB MET A 392 92.200 6.275 -4.345 1.00 0.59 C ATOM 1183 CG MET A 392 90.973 6.509 -5.229 1.00 1.14 C ATOM 1184 SD MET A 392 90.978 8.217 -5.828 1.00 1.31 S ATOM 1185 CE MET A 392 89.386 8.159 -6.688 1.00 2.02 C ATOM 0 H MET A 392 91.014 5.043 -2.208 1.00 0.48 H new ATOM 0 HA MET A 392 92.314 4.152 -4.803 1.00 0.51 H new ATOM 0 HB2 MET A 392 92.151 6.911 -3.461 1.00 0.59 H new ATOM 0 HB3 MET A 392 93.107 6.548 -4.884 1.00 0.59 H new ATOM 0 HG2 MET A 392 90.981 5.817 -6.071 1.00 1.14 H new ATOM 0 HG3 MET A 392 90.062 6.313 -4.664 1.00 1.14 H new ATOM 0 HE1 MET A 392 89.182 9.129 -7.142 1.00 2.02 H new ATOM 0 HE2 MET A 392 89.419 7.394 -7.464 1.00 2.02 H new ATOM 0 HE3 MET A 392 88.596 7.919 -5.976 1.00 2.02 H new ATOM 1195 N ILE A 393 94.488 3.871 -3.593 1.00 0.45 N ATOM 1196 CA ILE A 393 95.691 3.576 -2.757 1.00 0.45 C ATOM 1197 C ILE A 393 96.963 4.019 -3.480 1.00 0.50 C ATOM 1198 O ILE A 393 97.110 3.818 -4.669 1.00 0.60 O ATOM 1199 CB ILE A 393 95.684 2.058 -2.554 1.00 0.43 C ATOM 1200 CG1 ILE A 393 94.286 1.618 -2.108 1.00 1.21 C ATOM 1201 CG2 ILE A 393 96.710 1.681 -1.481 1.00 0.98 C ATOM 1202 CD1 ILE A 393 94.051 2.044 -0.659 1.00 1.68 C ATOM 0 H ILE A 393 94.524 3.529 -4.553 1.00 0.45 H new ATOM 0 HA ILE A 393 95.667 4.109 -1.806 1.00 0.45 H new ATOM 0 HB ILE A 393 95.943 1.560 -3.488 1.00 0.43 H new ATOM 0 HG12 ILE A 393 93.530 2.063 -2.755 1.00 1.21 H new ATOM 0 HG13 ILE A 393 94.188 0.536 -2.200 1.00 1.21 H new ATOM 0 HG21 ILE A 393 96.705 0.601 -1.336 1.00 0.98 H new ATOM 0 HG22 ILE A 393 97.703 2.000 -1.799 1.00 0.98 H new ATOM 0 HG23 ILE A 393 96.453 2.174 -0.543 1.00 0.98 H new ATOM 0 HD11 ILE A 393 93.056 1.730 -0.344 1.00 1.68 H new ATOM 0 HD12 ILE A 393 94.799 1.578 -0.017 1.00 1.68 H new ATOM 0 HD13 ILE A 393 94.131 3.128 -0.581 1.00 1.68 H new ATOM 1214 N ARG A 394 97.914 4.547 -2.758 1.00 0.63 N ATOM 1215 CA ARG A 394 99.213 4.918 -3.392 1.00 0.72 C ATOM 1216 C ARG A 394 100.377 4.614 -2.444 1.00 0.60 C ATOM 1217 O ARG A 394 100.296 4.833 -1.256 1.00 0.54 O ATOM 1218 CB ARG A 394 99.112 6.421 -3.654 1.00 0.78 C ATOM 1219 CG ARG A 394 98.020 6.689 -4.692 1.00 1.27 C ATOM 1220 CD ARG A 394 98.483 6.185 -6.060 1.00 1.04 C ATOM 1221 NE ARG A 394 97.423 6.629 -7.009 1.00 1.47 N ATOM 1222 CZ ARG A 394 97.687 6.745 -8.285 1.00 1.92 C ATOM 1223 NH1 ARG A 394 98.878 6.464 -8.741 1.00 2.78 N ATOM 1224 NH2 ARG A 394 96.754 7.140 -9.107 1.00 2.09 N ATOM 0 H ARG A 394 97.849 4.738 -1.758 1.00 0.63 H new ATOM 0 HA ARG A 394 99.398 4.356 -4.307 1.00 0.72 H new ATOM 0 HB2 ARG A 394 98.884 6.947 -2.727 1.00 0.78 H new ATOM 0 HB3 ARG A 394 100.068 6.803 -4.011 1.00 0.78 H new ATOM 0 HG2 ARG A 394 97.096 6.188 -4.402 1.00 1.27 H new ATOM 0 HG3 ARG A 394 97.803 7.756 -4.740 1.00 1.27 H new ATOM 0 HD2 ARG A 394 99.454 6.603 -6.328 1.00 1.04 H new ATOM 0 HD3 ARG A 394 98.590 5.100 -6.066 1.00 1.04 H new ATOM 0 HE ARG A 394 96.488 6.843 -6.662 1.00 1.47 H new ATOM 0 HH11 ARG A 394 99.609 6.152 -8.101 1.00 2.78 H new ATOM 0 HH12 ARG A 394 99.078 6.556 -9.737 1.00 2.78 H new ATOM 0 HH21 ARG A 394 95.822 7.357 -8.754 1.00 2.09 H new ATOM 0 HH22 ARG A 394 96.957 7.231 -10.102 1.00 2.09 H new ATOM 1238 N LYS A 395 101.476 4.160 -2.977 1.00 0.63 N ATOM 1239 CA LYS A 395 102.675 3.892 -2.131 1.00 0.58 C ATOM 1240 C LYS A 395 103.941 4.257 -2.910 1.00 0.60 C ATOM 1241 O LYS A 395 104.012 4.070 -4.105 1.00 0.68 O ATOM 1242 CB LYS A 395 102.638 2.391 -1.855 1.00 0.72 C ATOM 1243 CG LYS A 395 103.665 2.039 -0.777 1.00 0.80 C ATOM 1244 CD LYS A 395 104.990 1.676 -1.444 1.00 1.11 C ATOM 1245 CE LYS A 395 104.785 0.463 -2.354 1.00 1.15 C ATOM 1246 NZ LYS A 395 106.122 -0.186 -2.420 1.00 1.57 N ATOM 0 H LYS A 395 101.597 3.961 -3.970 1.00 0.63 H new ATOM 0 HA LYS A 395 102.676 4.474 -1.209 1.00 0.58 H new ATOM 0 HB2 LYS A 395 101.640 2.096 -1.530 1.00 0.72 H new ATOM 0 HB3 LYS A 395 102.852 1.838 -2.769 1.00 0.72 H new ATOM 0 HG2 LYS A 395 103.804 2.883 -0.101 1.00 0.80 H new ATOM 0 HG3 LYS A 395 103.306 1.204 -0.175 1.00 0.80 H new ATOM 0 HD2 LYS A 395 105.361 2.521 -2.024 1.00 1.11 H new ATOM 0 HD3 LYS A 395 105.742 1.454 -0.687 1.00 1.11 H new ATOM 0 HE2 LYS A 395 104.035 -0.215 -1.948 1.00 1.15 H new ATOM 0 HE3 LYS A 395 104.441 0.763 -3.344 1.00 1.15 H new ATOM 0 HZ1 LYS A 395 106.073 -1.019 -3.040 1.00 1.57 H new ATOM 0 HZ2 LYS A 395 106.817 0.488 -2.800 1.00 1.57 H new ATOM 0 HZ3 LYS A 395 106.412 -0.481 -1.466 1.00 1.57 H new ATOM 1260 N GLY A 396 104.941 4.765 -2.250 1.00 0.56 N ATOM 1261 CA GLY A 396 106.196 5.123 -2.978 1.00 0.60 C ATOM 1262 C GLY A 396 107.187 5.792 -2.027 1.00 0.55 C ATOM 1263 O GLY A 396 107.242 5.480 -0.855 1.00 0.82 O ATOM 0 H GLY A 396 104.949 4.948 -1.247 1.00 0.56 H new ATOM 0 HA2 GLY A 396 106.643 4.227 -3.409 1.00 0.60 H new ATOM 0 HA3 GLY A 396 105.966 5.794 -3.806 1.00 0.60 H new ATOM 1267 N SER A 397 108.039 6.640 -2.543 1.00 0.50 N ATOM 1268 CA SER A 397 109.099 7.231 -1.679 1.00 0.60 C ATOM 1269 C SER A 397 108.503 8.272 -0.733 1.00 0.48 C ATOM 1270 O SER A 397 107.405 8.752 -0.927 1.00 0.61 O ATOM 1271 CB SER A 397 110.111 7.871 -2.632 1.00 0.91 C ATOM 1272 OG SER A 397 109.785 9.241 -2.826 1.00 1.17 O ATOM 0 H SER A 397 108.046 6.945 -3.516 1.00 0.50 H new ATOM 0 HA SER A 397 109.572 6.475 -1.052 1.00 0.60 H new ATOM 0 HB2 SER A 397 111.117 7.781 -2.223 1.00 0.91 H new ATOM 0 HB3 SER A 397 110.107 7.347 -3.588 1.00 0.91 H new ATOM 0 HG SER A 397 110.223 9.569 -3.639 1.00 1.17 H new ATOM 1278 N VAL A 398 109.188 8.567 0.335 1.00 0.53 N ATOM 1279 CA VAL A 398 108.622 9.509 1.339 1.00 0.47 C ATOM 1280 C VAL A 398 108.394 10.877 0.702 1.00 0.51 C ATOM 1281 O VAL A 398 107.299 11.397 0.709 1.00 0.51 O ATOM 1282 CB VAL A 398 109.676 9.598 2.436 1.00 0.46 C ATOM 1283 CG1 VAL A 398 109.213 10.591 3.502 1.00 0.50 C ATOM 1284 CG2 VAL A 398 109.863 8.218 3.064 1.00 0.51 C ATOM 0 H VAL A 398 110.113 8.198 0.556 1.00 0.53 H new ATOM 0 HA VAL A 398 107.660 9.173 1.727 1.00 0.47 H new ATOM 0 HB VAL A 398 110.622 9.937 2.014 1.00 0.46 H new ATOM 0 HG11 VAL A 398 109.965 10.657 4.289 1.00 0.50 H new ATOM 0 HG12 VAL A 398 109.074 11.573 3.049 1.00 0.50 H new ATOM 0 HG13 VAL A 398 108.269 10.252 3.930 1.00 0.50 H new ATOM 0 HG21 VAL A 398 110.616 8.275 3.850 1.00 0.51 H new ATOM 0 HG22 VAL A 398 108.918 7.881 3.491 1.00 0.51 H new ATOM 0 HG23 VAL A 398 110.188 7.512 2.300 1.00 0.51 H new ATOM 1294 N ASP A 399 109.378 11.395 0.024 1.00 0.55 N ATOM 1295 CA ASP A 399 109.154 12.643 -0.749 1.00 0.62 C ATOM 1296 C ASP A 399 108.080 12.387 -1.802 1.00 0.64 C ATOM 1297 O ASP A 399 107.243 13.223 -2.077 1.00 0.64 O ATOM 1298 CB ASP A 399 110.498 12.948 -1.413 1.00 0.71 C ATOM 1299 CG ASP A 399 111.531 13.296 -0.338 1.00 1.10 C ATOM 1300 OD1 ASP A 399 111.128 13.520 0.791 1.00 1.46 O ATOM 1301 OD2 ASP A 399 112.706 13.330 -0.663 1.00 1.59 O ATOM 0 H ASP A 399 110.321 11.010 -0.028 1.00 0.55 H new ATOM 0 HA ASP A 399 108.819 13.474 -0.129 1.00 0.62 H new ATOM 0 HB2 ASP A 399 110.834 12.087 -1.990 1.00 0.71 H new ATOM 0 HB3 ASP A 399 110.391 13.778 -2.112 1.00 0.71 H new ATOM 1306 N ALA A 400 108.092 11.220 -2.379 1.00 0.70 N ATOM 1307 CA ALA A 400 107.075 10.880 -3.408 1.00 0.76 C ATOM 1308 C ALA A 400 105.661 10.929 -2.813 1.00 0.72 C ATOM 1309 O ALA A 400 104.767 11.530 -3.375 1.00 0.75 O ATOM 1310 CB ALA A 400 107.432 9.457 -3.845 1.00 0.85 C ATOM 0 H ALA A 400 108.768 10.482 -2.180 1.00 0.70 H new ATOM 0 HA ALA A 400 107.079 11.582 -4.242 1.00 0.76 H new ATOM 0 HB1 ALA A 400 106.728 9.123 -4.608 1.00 0.85 H new ATOM 0 HB2 ALA A 400 108.443 9.444 -4.253 1.00 0.85 H new ATOM 0 HB3 ALA A 400 107.379 8.789 -2.986 1.00 0.85 H new ATOM 1316 N ILE A 401 105.434 10.290 -1.694 1.00 0.67 N ATOM 1317 CA ILE A 401 104.060 10.300 -1.114 1.00 0.66 C ATOM 1318 C ILE A 401 103.674 11.705 -0.641 1.00 0.59 C ATOM 1319 O ILE A 401 102.548 12.127 -0.792 1.00 0.64 O ATOM 1320 CB ILE A 401 104.107 9.325 0.062 1.00 0.64 C ATOM 1321 CG1 ILE A 401 104.460 7.923 -0.448 1.00 0.81 C ATOM 1322 CG2 ILE A 401 102.741 9.286 0.751 1.00 0.68 C ATOM 1323 CD1 ILE A 401 103.601 7.589 -1.670 1.00 0.62 C ATOM 0 H ILE A 401 106.132 9.768 -1.163 1.00 0.67 H new ATOM 0 HA ILE A 401 103.312 10.009 -1.851 1.00 0.66 H new ATOM 0 HB ILE A 401 104.864 9.655 0.774 1.00 0.64 H new ATOM 0 HG12 ILE A 401 105.517 7.876 -0.710 1.00 0.81 H new ATOM 0 HG13 ILE A 401 104.294 7.187 0.338 1.00 0.81 H new ATOM 0 HG21 ILE A 401 102.776 8.590 1.589 1.00 0.68 H new ATOM 0 HG22 ILE A 401 102.489 10.282 1.116 1.00 0.68 H new ATOM 0 HG23 ILE A 401 101.984 8.958 0.039 1.00 0.68 H new ATOM 0 HD11 ILE A 401 103.854 6.592 -2.031 1.00 0.62 H new ATOM 0 HD12 ILE A 401 102.547 7.618 -1.393 1.00 0.62 H new ATOM 0 HD13 ILE A 401 103.790 8.318 -2.458 1.00 0.62 H new ATOM 1335 N ARG A 402 104.596 12.443 -0.092 1.00 0.50 N ATOM 1336 CA ARG A 402 104.262 13.826 0.357 1.00 0.47 C ATOM 1337 C ARG A 402 103.760 14.658 -0.829 1.00 0.54 C ATOM 1338 O ARG A 402 102.792 15.381 -0.722 1.00 0.62 O ATOM 1339 CB ARG A 402 105.573 14.396 0.900 1.00 0.44 C ATOM 1340 CG ARG A 402 105.316 15.779 1.502 1.00 1.17 C ATOM 1341 CD ARG A 402 106.633 16.365 2.018 1.00 1.24 C ATOM 1342 NE ARG A 402 106.250 17.641 2.683 1.00 1.71 N ATOM 1343 CZ ARG A 402 107.062 18.206 3.537 1.00 2.17 C ATOM 1344 NH1 ARG A 402 108.214 17.656 3.813 1.00 2.62 N ATOM 1345 NH2 ARG A 402 106.721 19.324 4.116 1.00 2.61 N ATOM 0 H ARG A 402 105.561 12.153 0.066 1.00 0.50 H new ATOM 0 HA ARG A 402 103.474 13.838 1.110 1.00 0.47 H new ATOM 0 HB2 ARG A 402 105.986 13.729 1.657 1.00 0.44 H new ATOM 0 HB3 ARG A 402 106.310 14.467 0.100 1.00 0.44 H new ATOM 0 HG2 ARG A 402 104.882 16.439 0.751 1.00 1.17 H new ATOM 0 HG3 ARG A 402 104.595 15.705 2.316 1.00 1.17 H new ATOM 0 HD2 ARG A 402 107.120 15.686 2.717 1.00 1.24 H new ATOM 0 HD3 ARG A 402 107.334 16.540 1.202 1.00 1.24 H new ATOM 0 HE ARG A 402 105.352 18.075 2.471 1.00 1.71 H new ATOM 0 HH11 ARG A 402 108.483 16.782 3.361 1.00 2.62 H new ATOM 0 HH12 ARG A 402 108.845 18.101 4.480 1.00 2.62 H new ATOM 0 HH21 ARG A 402 105.822 19.756 3.902 1.00 2.61 H new ATOM 0 HH22 ARG A 402 107.353 19.767 4.783 1.00 2.61 H new ATOM 1359 N ARG A 403 104.387 14.535 -1.967 1.00 0.54 N ATOM 1360 CA ARG A 403 103.916 15.296 -3.161 1.00 0.62 C ATOM 1361 C ARG A 403 102.544 14.794 -3.620 1.00 0.72 C ATOM 1362 O ARG A 403 101.687 15.567 -3.996 1.00 0.82 O ATOM 1363 CB ARG A 403 104.967 15.046 -4.234 1.00 0.63 C ATOM 1364 CG ARG A 403 106.290 15.667 -3.788 1.00 0.83 C ATOM 1365 CD ARG A 403 107.150 15.939 -5.016 1.00 0.96 C ATOM 1366 NE ARG A 403 108.484 16.325 -4.477 1.00 1.38 N ATOM 1367 CZ ARG A 403 109.312 15.408 -4.049 1.00 2.01 C ATOM 1368 NH1 ARG A 403 108.973 14.146 -4.086 1.00 2.48 N ATOM 1369 NH2 ARG A 403 110.480 15.753 -3.583 1.00 2.46 N ATOM 0 H ARG A 403 105.203 13.943 -2.122 1.00 0.54 H new ATOM 0 HA ARG A 403 103.799 16.358 -2.945 1.00 0.62 H new ATOM 0 HB2 ARG A 403 105.090 13.976 -4.398 1.00 0.63 H new ATOM 0 HB3 ARG A 403 104.648 15.480 -5.182 1.00 0.63 H new ATOM 0 HG2 ARG A 403 106.106 16.594 -3.244 1.00 0.83 H new ATOM 0 HG3 ARG A 403 106.810 14.995 -3.106 1.00 0.83 H new ATOM 0 HD2 ARG A 403 107.222 15.056 -5.651 1.00 0.96 H new ATOM 0 HD3 ARG A 403 106.725 16.736 -5.626 1.00 0.96 H new ATOM 0 HE ARG A 403 108.753 17.308 -4.442 1.00 1.38 H new ATOM 0 HH11 ARG A 403 108.060 13.874 -4.450 1.00 2.48 H new ATOM 0 HH12 ARG A 403 109.622 13.434 -3.751 1.00 2.48 H new ATOM 0 HH21 ARG A 403 110.747 16.737 -3.553 1.00 2.46 H new ATOM 0 HH22 ARG A 403 111.127 15.039 -3.249 1.00 2.46 H new ATOM 1383 N HIS A 404 102.307 13.514 -3.542 1.00 0.74 N ATOM 1384 CA HIS A 404 100.964 12.987 -3.922 1.00 0.86 C ATOM 1385 C HIS A 404 99.883 13.539 -2.984 1.00 0.84 C ATOM 1386 O HIS A 404 98.817 13.936 -3.414 1.00 0.94 O ATOM 1387 CB HIS A 404 101.082 11.470 -3.783 1.00 0.92 C ATOM 1388 CG HIS A 404 99.788 10.826 -4.197 1.00 1.32 C ATOM 1389 ND1 HIS A 404 98.790 10.520 -3.285 1.00 1.39 N ATOM 1390 CD2 HIS A 404 99.314 10.424 -5.421 1.00 2.29 C ATOM 1391 CE1 HIS A 404 97.775 9.959 -3.969 1.00 1.88 C ATOM 1392 NE2 HIS A 404 98.043 9.877 -5.275 1.00 2.43 N ATOM 0 H HIS A 404 102.980 12.813 -3.234 1.00 0.74 H new ATOM 0 HA HIS A 404 100.676 13.282 -4.931 1.00 0.86 H new ATOM 0 HB2 HIS A 404 101.899 11.100 -4.402 1.00 0.92 H new ATOM 0 HB3 HIS A 404 101.318 11.206 -2.752 1.00 0.92 H new ATOM 0 HD2 HIS A 404 99.847 10.518 -6.356 1.00 2.29 H new ATOM 0 HE1 HIS A 404 96.856 9.617 -3.517 1.00 1.88 H new ATOM 0 HE2 HIS A 404 97.445 9.495 -6.008 1.00 2.43 H new ATOM 1400 N VAL A 405 100.165 13.618 -1.716 1.00 0.76 N ATOM 1401 CA VAL A 405 99.170 14.196 -0.769 1.00 0.79 C ATOM 1402 C VAL A 405 98.931 15.677 -1.080 1.00 0.85 C ATOM 1403 O VAL A 405 97.812 16.144 -1.079 1.00 0.94 O ATOM 1404 CB VAL A 405 99.793 14.028 0.616 1.00 0.76 C ATOM 1405 CG1 VAL A 405 98.890 14.677 1.665 1.00 0.80 C ATOM 1406 CG2 VAL A 405 99.948 12.537 0.929 1.00 0.76 C ATOM 0 H VAL A 405 101.040 13.308 -1.293 1.00 0.76 H new ATOM 0 HA VAL A 405 98.201 13.702 -0.841 1.00 0.79 H new ATOM 0 HB VAL A 405 100.772 14.507 0.633 1.00 0.76 H new ATOM 0 HG11 VAL A 405 99.335 14.557 2.653 1.00 0.80 H new ATOM 0 HG12 VAL A 405 98.780 15.739 1.443 1.00 0.80 H new ATOM 0 HG13 VAL A 405 97.911 14.199 1.648 1.00 0.80 H new ATOM 0 HG21 VAL A 405 100.392 12.417 1.917 1.00 0.76 H new ATOM 0 HG22 VAL A 405 98.969 12.058 0.911 1.00 0.76 H new ATOM 0 HG23 VAL A 405 100.593 12.074 0.182 1.00 0.76 H new ATOM 1416 N GLU A 406 99.969 16.430 -1.305 1.00 0.84 N ATOM 1417 CA GLU A 406 99.784 17.889 -1.559 1.00 0.95 C ATOM 1418 C GLU A 406 98.955 18.121 -2.828 1.00 1.05 C ATOM 1419 O GLU A 406 98.167 19.043 -2.901 1.00 1.19 O ATOM 1420 CB GLU A 406 101.197 18.444 -1.732 1.00 0.91 C ATOM 1421 CG GLU A 406 101.964 18.313 -0.415 1.00 0.88 C ATOM 1422 CD GLU A 406 103.358 18.923 -0.570 1.00 1.43 C ATOM 1423 OE1 GLU A 406 103.718 19.250 -1.689 1.00 2.16 O ATOM 1424 OE2 GLU A 406 104.041 19.053 0.432 1.00 1.86 O ATOM 0 H GLU A 406 100.935 16.103 -1.325 1.00 0.84 H new ATOM 0 HA GLU A 406 99.248 18.378 -0.746 1.00 0.95 H new ATOM 0 HB2 GLU A 406 101.717 17.903 -2.523 1.00 0.91 H new ATOM 0 HB3 GLU A 406 101.153 19.490 -2.037 1.00 0.91 H new ATOM 0 HG2 GLU A 406 101.422 18.818 0.385 1.00 0.88 H new ATOM 0 HG3 GLU A 406 102.045 17.263 -0.132 1.00 0.88 H new ATOM 1431 N ALA A 407 99.121 17.295 -3.826 1.00 1.02 N ATOM 1432 CA ALA A 407 98.333 17.482 -5.080 1.00 1.17 C ATOM 1433 C ALA A 407 96.851 17.234 -4.798 1.00 1.32 C ATOM 1434 O ALA A 407 96.001 18.031 -5.140 1.00 1.53 O ATOM 1435 CB ALA A 407 98.878 16.436 -6.052 1.00 1.12 C ATOM 0 H ALA A 407 99.764 16.503 -3.828 1.00 1.02 H new ATOM 0 HA ALA A 407 98.421 18.491 -5.483 1.00 1.17 H new ATOM 0 HB1 ALA A 407 98.347 16.510 -7.001 1.00 1.12 H new ATOM 0 HB2 ALA A 407 99.941 16.611 -6.216 1.00 1.12 H new ATOM 0 HB3 ALA A 407 98.735 15.440 -5.633 1.00 1.12 H new ATOM 1441 N ASN A 408 96.562 16.217 -4.038 1.00 1.23 N ATOM 1442 CA ASN A 408 95.169 16.006 -3.568 1.00 1.37 C ATOM 1443 C ASN A 408 94.787 17.122 -2.601 1.00 1.44 C ATOM 1444 O ASN A 408 93.627 17.418 -2.392 1.00 1.60 O ATOM 1445 CB ASN A 408 95.210 14.657 -2.856 1.00 1.27 C ATOM 1446 CG ASN A 408 95.387 13.542 -3.888 1.00 1.88 C ATOM 1447 OD1 ASN A 408 95.161 13.746 -5.064 1.00 2.75 O ATOM 1448 ND2 ASN A 408 95.782 12.363 -3.496 1.00 2.02 N ATOM 0 H ASN A 408 97.235 15.520 -3.721 1.00 1.23 H new ATOM 0 HA ASN A 408 94.435 16.017 -4.374 1.00 1.37 H new ATOM 0 HB2 ASN A 408 96.030 14.637 -2.139 1.00 1.27 H new ATOM 0 HB3 ASN A 408 94.290 14.503 -2.292 1.00 1.27 H new ATOM 0 HD21 ASN A 408 95.901 11.613 -4.177 1.00 2.02 H new ATOM 0 HD22 ASN A 408 95.972 12.191 -2.509 1.00 2.02 H new ATOM 1455 N GLY A 409 95.766 17.703 -1.967 1.00 1.37 N ATOM 1456 CA GLY A 409 95.491 18.756 -0.960 1.00 1.51 C ATOM 1457 C GLY A 409 95.479 18.134 0.438 1.00 1.69 C ATOM 1458 O GLY A 409 94.903 18.669 1.363 1.00 2.28 O ATOM 0 H GLY A 409 96.753 17.489 -2.107 1.00 1.37 H new ATOM 0 HA2 GLY A 409 96.251 19.535 -1.016 1.00 1.51 H new ATOM 0 HA3 GLY A 409 94.532 19.230 -1.167 1.00 1.51 H new ATOM 1462 N GLY A 410 96.149 17.026 0.604 1.00 1.39 N ATOM 1463 CA GLY A 410 96.222 16.388 1.950 1.00 1.72 C ATOM 1464 C GLY A 410 97.471 16.880 2.682 1.00 1.26 C ATOM 1465 O GLY A 410 98.186 17.738 2.200 1.00 1.69 O ATOM 0 H GLY A 410 96.650 16.534 -0.136 1.00 1.39 H new ATOM 0 HA2 GLY A 410 95.330 16.631 2.528 1.00 1.72 H new ATOM 0 HA3 GLY A 410 96.251 15.303 1.849 1.00 1.72 H new ATOM 1469 N HIS A 411 97.773 16.307 3.815 1.00 0.88 N ATOM 1470 CA HIS A 411 99.015 16.702 4.542 1.00 1.32 C ATOM 1471 C HIS A 411 99.718 15.462 5.105 1.00 1.27 C ATOM 1472 O HIS A 411 99.092 14.470 5.420 1.00 1.52 O ATOM 1473 CB HIS A 411 98.541 17.612 5.675 1.00 1.83 C ATOM 1474 CG HIS A 411 97.929 18.857 5.096 1.00 2.66 C ATOM 1475 ND1 HIS A 411 96.571 18.961 4.835 1.00 3.39 N ATOM 1476 CD2 HIS A 411 98.476 20.060 4.722 1.00 3.34 C ATOM 1477 CE1 HIS A 411 96.349 20.187 4.326 1.00 4.16 C ATOM 1478 NE2 HIS A 411 97.476 20.898 4.236 1.00 4.13 N ATOM 0 H HIS A 411 97.215 15.584 4.269 1.00 0.88 H new ATOM 0 HA HIS A 411 99.731 17.203 3.891 1.00 1.32 H new ATOM 0 HB2 HIS A 411 97.812 17.090 6.294 1.00 1.83 H new ATOM 0 HB3 HIS A 411 99.379 17.873 6.321 1.00 1.83 H new ATOM 0 HD2 HIS A 411 99.523 20.317 4.794 1.00 3.34 H new ATOM 0 HE1 HIS A 411 95.377 20.552 4.027 1.00 4.16 H new ATOM 0 HE2 HIS A 411 97.581 21.850 3.886 1.00 4.13 H new ATOM 1486 N PHE A 412 101.017 15.515 5.238 1.00 1.04 N ATOM 1487 CA PHE A 412 101.761 14.344 5.787 1.00 1.06 C ATOM 1488 C PHE A 412 101.932 14.492 7.306 1.00 1.03 C ATOM 1489 O PHE A 412 102.642 15.363 7.768 1.00 1.05 O ATOM 1490 CB PHE A 412 103.119 14.385 5.086 1.00 1.03 C ATOM 1491 CG PHE A 412 103.661 12.983 4.948 1.00 1.36 C ATOM 1492 CD1 PHE A 412 104.109 12.290 6.080 1.00 1.73 C ATOM 1493 CD2 PHE A 412 103.718 12.374 3.686 1.00 1.90 C ATOM 1494 CE1 PHE A 412 104.616 10.989 5.952 1.00 2.70 C ATOM 1495 CE2 PHE A 412 104.225 11.073 3.557 1.00 2.91 C ATOM 1496 CZ PHE A 412 104.674 10.381 4.691 1.00 3.31 C ATOM 0 H PHE A 412 101.595 16.318 4.990 1.00 1.04 H new ATOM 0 HA PHE A 412 101.241 13.401 5.618 1.00 1.06 H new ATOM 0 HB2 PHE A 412 103.018 14.845 4.103 1.00 1.03 H new ATOM 0 HB3 PHE A 412 103.815 15.000 5.656 1.00 1.03 H new ATOM 0 HD1 PHE A 412 104.064 12.758 7.052 1.00 1.73 H new ATOM 0 HD2 PHE A 412 103.371 12.907 2.813 1.00 1.90 H new ATOM 0 HE1 PHE A 412 104.962 10.456 6.825 1.00 2.70 H new ATOM 0 HE2 PHE A 412 104.270 10.604 2.585 1.00 2.91 H new ATOM 0 HZ PHE A 412 105.065 9.379 4.592 1.00 3.31 H new ATOM 1506 N PRO A 413 101.227 13.663 8.030 1.00 1.03 N ATOM 1507 CA PRO A 413 101.249 13.733 9.516 1.00 1.06 C ATOM 1508 C PRO A 413 102.666 13.502 10.055 1.00 0.96 C ATOM 1509 O PRO A 413 103.411 12.688 9.546 1.00 0.88 O ATOM 1510 CB PRO A 413 100.315 12.605 9.959 1.00 1.16 C ATOM 1511 CG PRO A 413 99.526 12.229 8.742 1.00 1.23 C ATOM 1512 CD PRO A 413 100.354 12.595 7.542 1.00 1.05 C ATOM 0 HA PRO A 413 100.937 14.708 9.889 1.00 1.06 H new ATOM 0 HB2 PRO A 413 100.881 11.754 10.337 1.00 1.16 H new ATOM 0 HB3 PRO A 413 99.659 12.934 10.765 1.00 1.16 H new ATOM 0 HG2 PRO A 413 99.302 11.162 8.744 1.00 1.23 H new ATOM 0 HG3 PRO A 413 98.571 12.755 8.725 1.00 1.23 H new ATOM 0 HD2 PRO A 413 100.929 11.743 7.179 1.00 1.05 H new ATOM 0 HD3 PRO A 413 99.731 12.935 6.715 1.00 1.05 H new ATOM 1520 N THR A 414 103.033 14.202 11.096 1.00 1.01 N ATOM 1521 CA THR A 414 104.392 14.014 11.687 1.00 0.97 C ATOM 1522 C THR A 414 104.588 12.566 12.132 1.00 0.92 C ATOM 1523 O THR A 414 105.633 11.988 11.936 1.00 0.84 O ATOM 1524 CB THR A 414 104.432 14.960 12.892 1.00 1.09 C ATOM 1525 OG1 THR A 414 105.780 15.144 13.300 1.00 1.63 O ATOM 1526 CG2 THR A 414 103.624 14.362 14.048 1.00 1.75 C ATOM 0 H THR A 414 102.450 14.897 11.563 1.00 1.01 H new ATOM 0 HA THR A 414 105.185 14.229 10.971 1.00 0.97 H new ATOM 0 HB THR A 414 103.999 15.921 12.612 1.00 1.09 H new ATOM 0 HG1 THR A 414 105.809 15.750 14.070 1.00 1.63 H new ATOM 0 HG21 THR A 414 103.656 15.038 14.902 1.00 1.75 H new ATOM 0 HG22 THR A 414 102.590 14.222 13.734 1.00 1.75 H new ATOM 0 HG23 THR A 414 104.051 13.400 14.331 1.00 1.75 H new ATOM 1534 N ASP A 415 103.606 11.984 12.758 1.00 0.99 N ATOM 1535 CA ASP A 415 103.774 10.585 13.242 1.00 0.97 C ATOM 1536 C ASP A 415 104.213 9.682 12.088 1.00 0.83 C ATOM 1537 O ASP A 415 105.054 8.824 12.246 1.00 0.84 O ATOM 1538 CB ASP A 415 102.395 10.171 13.752 1.00 1.08 C ATOM 1539 CG ASP A 415 102.512 8.866 14.539 1.00 1.27 C ATOM 1540 OD1 ASP A 415 103.628 8.413 14.735 1.00 1.80 O ATOM 1541 OD2 ASP A 415 101.484 8.340 14.935 1.00 1.87 O ATOM 0 H ASP A 415 102.701 12.411 12.955 1.00 0.99 H new ATOM 0 HA ASP A 415 104.534 10.504 14.019 1.00 0.97 H new ATOM 0 HB2 ASP A 415 101.980 10.954 14.386 1.00 1.08 H new ATOM 0 HB3 ASP A 415 101.709 10.043 12.914 1.00 1.08 H new ATOM 1546 N VAL A 416 103.661 9.878 10.923 1.00 0.71 N ATOM 1547 CA VAL A 416 104.059 9.035 9.760 1.00 0.60 C ATOM 1548 C VAL A 416 105.484 9.369 9.315 1.00 0.51 C ATOM 1549 O VAL A 416 106.283 8.494 9.058 1.00 0.46 O ATOM 1550 CB VAL A 416 103.054 9.388 8.667 1.00 0.58 C ATOM 1551 CG1 VAL A 416 103.471 8.730 7.349 1.00 0.51 C ATOM 1552 CG2 VAL A 416 101.668 8.882 9.070 1.00 0.71 C ATOM 0 H VAL A 416 102.952 10.584 10.726 1.00 0.71 H new ATOM 0 HA VAL A 416 104.053 7.971 9.998 1.00 0.60 H new ATOM 0 HB VAL A 416 103.027 10.470 8.537 1.00 0.58 H new ATOM 0 HG11 VAL A 416 102.751 8.985 6.571 1.00 0.51 H new ATOM 0 HG12 VAL A 416 104.459 9.088 7.060 1.00 0.51 H new ATOM 0 HG13 VAL A 416 103.501 7.648 7.476 1.00 0.51 H new ATOM 0 HG21 VAL A 416 100.948 9.133 8.291 1.00 0.71 H new ATOM 0 HG22 VAL A 416 101.699 7.800 9.200 1.00 0.71 H new ATOM 0 HG23 VAL A 416 101.367 9.352 10.007 1.00 0.71 H new ATOM 1562 N ASP A 417 105.839 10.623 9.315 1.00 0.53 N ATOM 1563 CA ASP A 417 107.247 10.996 8.992 1.00 0.53 C ATOM 1564 C ASP A 417 108.206 10.373 10.008 1.00 0.58 C ATOM 1565 O ASP A 417 109.248 9.856 9.660 1.00 0.60 O ATOM 1566 CB ASP A 417 107.275 12.521 9.082 1.00 0.61 C ATOM 1567 CG ASP A 417 106.628 13.121 7.834 1.00 1.03 C ATOM 1568 OD1 ASP A 417 106.562 12.426 6.835 1.00 1.81 O ATOM 1569 OD2 ASP A 417 106.209 14.264 7.899 1.00 1.15 O ATOM 0 H ASP A 417 105.218 11.405 9.524 1.00 0.53 H new ATOM 0 HA ASP A 417 107.559 10.640 8.010 1.00 0.53 H new ATOM 0 HB2 ASP A 417 106.744 12.852 9.974 1.00 0.61 H new ATOM 0 HB3 ASP A 417 108.303 12.871 9.175 1.00 0.61 H new ATOM 1574 N GLN A 418 107.822 10.345 11.249 1.00 0.62 N ATOM 1575 CA GLN A 418 108.661 9.678 12.281 1.00 0.68 C ATOM 1576 C GLN A 418 108.757 8.171 12.012 1.00 0.69 C ATOM 1577 O GLN A 418 109.816 7.590 12.104 1.00 0.81 O ATOM 1578 CB GLN A 418 107.938 9.965 13.597 1.00 0.73 C ATOM 1579 CG GLN A 418 108.080 11.448 13.946 1.00 1.31 C ATOM 1580 CD GLN A 418 107.327 11.742 15.244 1.00 1.86 C ATOM 1581 OE1 GLN A 418 106.509 10.955 15.678 1.00 1.96 O ATOM 1582 NE2 GLN A 418 107.570 12.851 15.889 1.00 2.60 N ATOM 0 H GLN A 418 106.957 10.758 11.597 1.00 0.62 H new ATOM 0 HA GLN A 418 109.688 10.043 12.290 1.00 0.68 H new ATOM 0 HB2 GLN A 418 106.884 9.700 13.510 1.00 0.73 H new ATOM 0 HB3 GLN A 418 108.356 9.351 14.395 1.00 0.73 H new ATOM 0 HG2 GLN A 418 109.133 11.707 14.058 1.00 1.31 H new ATOM 0 HG3 GLN A 418 107.685 12.062 13.137 1.00 1.31 H new ATOM 0 HE21 GLN A 418 108.256 13.512 15.526 1.00 2.60 H new ATOM 0 HE22 GLN A 418 107.073 13.056 16.756 1.00 2.60 H new ATOM 1591 N LYS A 419 107.675 7.535 11.660 1.00 0.61 N ATOM 1592 CA LYS A 419 107.741 6.073 11.369 1.00 0.63 C ATOM 1593 C LYS A 419 108.636 5.796 10.154 1.00 0.62 C ATOM 1594 O LYS A 419 109.388 4.846 10.133 1.00 0.71 O ATOM 1595 CB LYS A 419 106.298 5.660 11.076 1.00 0.57 C ATOM 1596 CG LYS A 419 105.466 5.772 12.355 1.00 0.81 C ATOM 1597 CD LYS A 419 104.046 5.269 12.086 1.00 0.93 C ATOM 1598 CE LYS A 419 103.183 5.487 13.331 1.00 1.33 C ATOM 1599 NZ LYS A 419 102.854 4.118 13.814 1.00 2.49 N ATOM 0 H LYS A 419 106.753 7.959 11.561 1.00 0.61 H new ATOM 0 HA LYS A 419 108.168 5.514 12.202 1.00 0.63 H new ATOM 0 HB2 LYS A 419 105.877 6.297 10.298 1.00 0.57 H new ATOM 0 HB3 LYS A 419 106.270 4.637 10.700 1.00 0.57 H new ATOM 0 HG2 LYS A 419 105.925 5.188 13.152 1.00 0.81 H new ATOM 0 HG3 LYS A 419 105.438 6.808 12.694 1.00 0.81 H new ATOM 0 HD2 LYS A 419 103.616 5.798 11.235 1.00 0.93 H new ATOM 0 HD3 LYS A 419 104.067 4.211 11.826 1.00 0.93 H new ATOM 0 HE2 LYS A 419 103.721 6.055 14.090 1.00 1.33 H new ATOM 0 HE3 LYS A 419 102.280 6.049 13.092 1.00 1.33 H new ATOM 0 HZ1 LYS A 419 102.235 4.183 14.647 1.00 2.49 H new ATOM 0 HZ2 LYS A 419 102.366 3.592 13.061 1.00 2.49 H new ATOM 0 HZ3 LYS A 419 103.730 3.621 14.072 1.00 2.49 H new ATOM 1613 N VAL A 420 108.588 6.637 9.158 1.00 0.56 N ATOM 1614 CA VAL A 420 109.455 6.434 7.958 1.00 0.62 C ATOM 1615 C VAL A 420 110.927 6.577 8.343 1.00 0.71 C ATOM 1616 O VAL A 420 111.787 5.871 7.856 1.00 0.79 O ATOM 1617 CB VAL A 420 109.056 7.554 6.996 1.00 0.60 C ATOM 1618 CG1 VAL A 420 109.994 7.549 5.789 1.00 0.70 C ATOM 1619 CG2 VAL A 420 107.617 7.343 6.523 1.00 0.59 C ATOM 0 H VAL A 420 107.985 7.459 9.121 1.00 0.56 H new ATOM 0 HA VAL A 420 109.329 5.444 7.520 1.00 0.62 H new ATOM 0 HB VAL A 420 109.129 8.512 7.511 1.00 0.60 H new ATOM 0 HG11 VAL A 420 109.709 8.347 5.104 1.00 0.70 H new ATOM 0 HG12 VAL A 420 111.019 7.707 6.124 1.00 0.70 H new ATOM 0 HG13 VAL A 420 109.923 6.589 5.277 1.00 0.70 H new ATOM 0 HG21 VAL A 420 107.338 8.144 5.838 1.00 0.59 H new ATOM 0 HG22 VAL A 420 107.539 6.384 6.011 1.00 0.59 H new ATOM 0 HG23 VAL A 420 106.947 7.351 7.382 1.00 0.59 H new ATOM 1629 N ASP A 421 111.219 7.526 9.178 1.00 0.72 N ATOM 1630 CA ASP A 421 112.631 7.786 9.574 1.00 0.84 C ATOM 1631 C ASP A 421 113.162 6.659 10.462 1.00 0.91 C ATOM 1632 O ASP A 421 114.252 6.161 10.265 1.00 1.00 O ATOM 1633 CB ASP A 421 112.567 9.099 10.347 1.00 0.88 C ATOM 1634 CG ASP A 421 112.324 10.254 9.374 1.00 1.14 C ATOM 1635 OD1 ASP A 421 112.381 10.019 8.179 1.00 1.25 O ATOM 1636 OD2 ASP A 421 112.083 11.355 9.842 1.00 2.05 O ATOM 0 H ASP A 421 110.532 8.143 9.611 1.00 0.72 H new ATOM 0 HA ASP A 421 113.302 7.838 8.717 1.00 0.84 H new ATOM 0 HB2 ASP A 421 111.768 9.059 11.087 1.00 0.88 H new ATOM 0 HB3 ASP A 421 113.498 9.258 10.892 1.00 0.88 H new ATOM 1641 N GLN A 422 112.374 6.213 11.397 1.00 0.89 N ATOM 1642 CA GLN A 422 112.803 5.071 12.253 1.00 0.98 C ATOM 1643 C GLN A 422 112.956 3.816 11.397 1.00 0.98 C ATOM 1644 O GLN A 422 113.861 3.030 11.589 1.00 1.07 O ATOM 1645 CB GLN A 422 111.683 4.904 13.281 1.00 0.99 C ATOM 1646 CG GLN A 422 111.552 6.189 14.106 1.00 1.32 C ATOM 1647 CD GLN A 422 110.426 6.025 15.129 1.00 1.77 C ATOM 1648 OE1 GLN A 422 109.609 5.134 15.013 1.00 2.33 O ATOM 1649 NE2 GLN A 422 110.347 6.854 16.133 1.00 2.33 N ATOM 0 H GLN A 422 111.450 6.589 11.607 1.00 0.89 H new ATOM 0 HA GLN A 422 113.764 5.243 12.737 1.00 0.98 H new ATOM 0 HB2 GLN A 422 110.742 4.685 12.777 1.00 0.99 H new ATOM 0 HB3 GLN A 422 111.898 4.059 13.935 1.00 0.99 H new ATOM 0 HG2 GLN A 422 112.492 6.405 14.615 1.00 1.32 H new ATOM 0 HG3 GLN A 422 111.343 7.035 13.451 1.00 1.32 H new ATOM 0 HE21 GLN A 422 111.033 7.603 16.231 1.00 2.33 H new ATOM 0 HE22 GLN A 422 109.600 6.754 16.820 1.00 2.33 H new ATOM 1658 N VAL A 423 112.173 3.703 10.362 1.00 0.91 N ATOM 1659 CA VAL A 423 112.378 2.598 9.392 1.00 0.94 C ATOM 1660 C VAL A 423 113.767 2.719 8.758 1.00 0.96 C ATOM 1661 O VAL A 423 114.510 1.762 8.679 1.00 1.00 O ATOM 1662 CB VAL A 423 111.288 2.814 8.350 1.00 0.92 C ATOM 1663 CG1 VAL A 423 111.467 1.826 7.198 1.00 0.95 C ATOM 1664 CG2 VAL A 423 109.916 2.610 8.994 1.00 0.99 C ATOM 0 H VAL A 423 111.398 4.331 10.147 1.00 0.91 H new ATOM 0 HA VAL A 423 112.323 1.609 9.847 1.00 0.94 H new ATOM 0 HB VAL A 423 111.359 3.830 7.963 1.00 0.92 H new ATOM 0 HG11 VAL A 423 110.684 1.986 6.457 1.00 0.95 H new ATOM 0 HG12 VAL A 423 112.442 1.979 6.735 1.00 0.95 H new ATOM 0 HG13 VAL A 423 111.403 0.807 7.579 1.00 0.95 H new ATOM 0 HG21 VAL A 423 109.137 2.765 8.247 1.00 0.99 H new ATOM 0 HG22 VAL A 423 109.846 1.596 9.387 1.00 0.99 H new ATOM 0 HG23 VAL A 423 109.786 3.324 9.807 1.00 0.99 H new ATOM 1674 N ALA A 424 114.144 3.905 8.363 1.00 0.98 N ATOM 1675 CA ALA A 424 115.511 4.106 7.802 1.00 1.07 C ATOM 1676 C ALA A 424 116.561 3.941 8.904 1.00 1.17 C ATOM 1677 O ALA A 424 117.539 3.238 8.745 1.00 1.24 O ATOM 1678 CB ALA A 424 115.513 5.541 7.281 1.00 1.09 C ATOM 0 H ALA A 424 113.565 4.743 8.405 1.00 0.98 H new ATOM 0 HA ALA A 424 115.749 3.384 7.021 1.00 1.07 H new ATOM 0 HB1 ALA A 424 116.488 5.770 6.850 1.00 1.09 H new ATOM 0 HB2 ALA A 424 114.743 5.652 6.517 1.00 1.09 H new ATOM 0 HB3 ALA A 424 115.310 6.227 8.103 1.00 1.09 H new ATOM 1684 N ARG A 425 116.331 4.536 10.042 1.00 1.23 N ATOM 1685 CA ARG A 425 117.276 4.360 11.181 1.00 1.39 C ATOM 1686 C ARG A 425 117.391 2.877 11.528 1.00 1.38 C ATOM 1687 O ARG A 425 118.358 2.436 12.116 1.00 1.53 O ATOM 1688 CB ARG A 425 116.658 5.140 12.341 1.00 1.57 C ATOM 1689 CG ARG A 425 116.658 6.634 12.011 1.00 2.17 C ATOM 1690 CD ARG A 425 116.089 7.420 13.194 1.00 2.43 C ATOM 1691 NE ARG A 425 117.115 7.297 14.266 1.00 2.68 N ATOM 1692 CZ ARG A 425 116.824 7.625 15.497 1.00 3.44 C ATOM 1693 NH1 ARG A 425 115.630 8.061 15.796 1.00 4.11 N ATOM 1694 NH2 ARG A 425 117.729 7.514 16.431 1.00 3.73 N ATOM 0 H ARG A 425 115.529 5.137 10.233 1.00 1.23 H new ATOM 0 HA ARG A 425 118.280 4.717 10.950 1.00 1.39 H new ATOM 0 HB2 ARG A 425 115.639 4.797 12.522 1.00 1.57 H new ATOM 0 HB3 ARG A 425 117.222 4.959 13.256 1.00 1.57 H new ATOM 0 HG2 ARG A 425 117.672 6.969 11.793 1.00 2.17 H new ATOM 0 HG3 ARG A 425 116.062 6.820 11.117 1.00 2.17 H new ATOM 0 HD2 ARG A 425 115.918 8.463 12.929 1.00 2.43 H new ATOM 0 HD3 ARG A 425 115.131 7.011 13.515 1.00 2.43 H new ATOM 0 HE ARG A 425 118.049 6.955 14.039 1.00 2.68 H new ATOM 0 HH11 ARG A 425 114.921 8.146 15.068 1.00 4.11 H new ATOM 0 HH12 ARG A 425 115.406 8.316 16.758 1.00 4.11 H new ATOM 0 HH21 ARG A 425 118.662 7.172 16.199 1.00 3.73 H new ATOM 0 HH22 ARG A 425 117.504 7.770 17.392 1.00 3.73 H new ATOM 1708 N GLN A 426 116.437 2.094 11.106 1.00 1.26 N ATOM 1709 CA GLN A 426 116.523 0.624 11.345 1.00 1.33 C ATOM 1710 C GLN A 426 117.330 -0.046 10.219 1.00 1.26 C ATOM 1711 O GLN A 426 117.516 -1.246 10.205 1.00 1.33 O ATOM 1712 CB GLN A 426 115.051 0.148 11.396 1.00 1.34 C ATOM 1713 CG GLN A 426 114.700 -0.766 10.212 1.00 1.95 C ATOM 1714 CD GLN A 426 113.241 -1.211 10.321 1.00 2.42 C ATOM 1715 OE1 GLN A 426 112.338 -0.455 10.020 1.00 2.68 O ATOM 1716 NE2 GLN A 426 112.969 -2.416 10.743 1.00 2.92 N ATOM 0 H GLN A 426 115.604 2.406 10.607 1.00 1.26 H new ATOM 0 HA GLN A 426 117.043 0.364 12.267 1.00 1.33 H new ATOM 0 HB2 GLN A 426 114.875 -0.385 12.330 1.00 1.34 H new ATOM 0 HB3 GLN A 426 114.390 1.014 11.394 1.00 1.34 H new ATOM 0 HG2 GLN A 426 114.860 -0.238 9.272 1.00 1.95 H new ATOM 0 HG3 GLN A 426 115.356 -1.636 10.204 1.00 1.95 H new ATOM 0 HE21 GLN A 426 113.726 -3.051 10.996 1.00 2.92 H new ATOM 0 HE22 GLN A 426 111.999 -2.723 10.820 1.00 2.92 H new ATOM 1725 N GLY A 427 117.775 0.716 9.258 1.00 1.16 N ATOM 1726 CA GLY A 427 118.524 0.114 8.120 1.00 1.14 C ATOM 1727 C GLY A 427 117.534 -0.358 7.053 1.00 1.07 C ATOM 1728 O GLY A 427 117.904 -0.999 6.090 1.00 1.11 O ATOM 0 H GLY A 427 117.652 1.728 9.212 1.00 1.16 H new ATOM 0 HA2 GLY A 427 119.212 0.845 7.696 1.00 1.14 H new ATOM 0 HA3 GLY A 427 119.126 -0.725 8.470 1.00 1.14 H new ATOM 1732 N ALA A 428 116.281 -0.023 7.204 1.00 1.07 N ATOM 1733 CA ALA A 428 115.271 -0.425 6.183 1.00 1.00 C ATOM 1734 C ALA A 428 114.920 0.767 5.292 1.00 0.94 C ATOM 1735 O ALA A 428 114.975 1.906 5.712 1.00 0.97 O ATOM 1736 CB ALA A 428 114.050 -0.869 6.989 1.00 1.04 C ATOM 0 H ALA A 428 115.913 0.512 7.991 1.00 1.07 H new ATOM 0 HA ALA A 428 115.637 -1.215 5.528 1.00 1.00 H new ATOM 0 HB1 ALA A 428 113.258 -1.182 6.308 1.00 1.04 H new ATOM 0 HB2 ALA A 428 114.324 -1.704 7.634 1.00 1.04 H new ATOM 0 HB3 ALA A 428 113.696 -0.039 7.600 1.00 1.04 H new ATOM 1742 N THR A 429 114.444 0.507 4.107 1.00 0.92 N ATOM 1743 CA THR A 429 113.956 1.620 3.247 1.00 0.88 C ATOM 1744 C THR A 429 112.458 1.793 3.463 1.00 0.65 C ATOM 1745 O THR A 429 111.681 0.925 3.122 1.00 0.62 O ATOM 1746 CB THR A 429 114.234 1.181 1.807 1.00 1.00 C ATOM 1747 OG1 THR A 429 115.618 1.343 1.523 1.00 1.21 O ATOM 1748 CG2 THR A 429 113.408 2.038 0.838 1.00 1.00 C ATOM 0 H THR A 429 114.372 -0.425 3.698 1.00 0.92 H new ATOM 0 HA THR A 429 114.444 2.568 3.475 1.00 0.88 H new ATOM 0 HB THR A 429 113.957 0.134 1.687 1.00 1.00 H new ATOM 0 HG1 THR A 429 115.798 1.061 0.602 1.00 1.21 H new ATOM 0 HG21 THR A 429 113.608 1.724 -0.186 1.00 1.00 H new ATOM 0 HG22 THR A 429 112.347 1.913 1.056 1.00 1.00 H new ATOM 0 HG23 THR A 429 113.682 3.086 0.956 1.00 1.00 H new ATOM 1756 N PRO A 430 112.108 2.878 4.089 1.00 0.70 N ATOM 1757 CA PRO A 430 110.697 3.130 4.423 1.00 0.55 C ATOM 1758 C PRO A 430 109.939 3.609 3.184 1.00 0.54 C ATOM 1759 O PRO A 430 109.974 4.775 2.849 1.00 0.68 O ATOM 1760 CB PRO A 430 110.748 4.239 5.478 1.00 0.81 C ATOM 1761 CG PRO A 430 112.197 4.599 5.656 1.00 1.20 C ATOM 1762 CD PRO A 430 112.979 3.957 4.543 1.00 1.04 C ATOM 0 HA PRO A 430 110.185 2.237 4.782 1.00 0.55 H new ATOM 0 HB2 PRO A 430 110.170 5.106 5.157 1.00 0.81 H new ATOM 0 HB3 PRO A 430 110.315 3.899 6.419 1.00 0.81 H new ATOM 0 HG2 PRO A 430 112.325 5.681 5.636 1.00 1.20 H new ATOM 0 HG3 PRO A 430 112.559 4.253 6.624 1.00 1.20 H new ATOM 0 HD2 PRO A 430 113.191 4.665 3.742 1.00 1.04 H new ATOM 0 HD3 PRO A 430 113.938 3.577 4.894 1.00 1.04 H new ATOM 1770 N LEU A 431 109.053 2.798 2.680 1.00 0.47 N ATOM 1771 CA LEU A 431 108.083 3.324 1.689 1.00 0.56 C ATOM 1772 C LEU A 431 106.858 3.822 2.440 1.00 0.54 C ATOM 1773 O LEU A 431 106.483 3.277 3.450 1.00 0.59 O ATOM 1774 CB LEU A 431 107.690 2.149 0.801 1.00 0.59 C ATOM 1775 CG LEU A 431 108.933 1.474 0.245 1.00 0.59 C ATOM 1776 CD1 LEU A 431 108.508 0.297 -0.633 1.00 1.14 C ATOM 1777 CD2 LEU A 431 109.731 2.473 -0.593 1.00 1.40 C ATOM 0 H LEU A 431 108.960 1.808 2.908 1.00 0.47 H new ATOM 0 HA LEU A 431 108.501 4.139 1.097 1.00 0.56 H new ATOM 0 HB2 LEU A 431 107.103 1.431 1.374 1.00 0.59 H new ATOM 0 HB3 LEU A 431 107.059 2.497 -0.017 1.00 0.59 H new ATOM 0 HG LEU A 431 109.556 1.118 1.066 1.00 0.59 H new ATOM 0 HD11 LEU A 431 109.393 -0.194 -1.037 1.00 1.14 H new ATOM 0 HD12 LEU A 431 107.939 -0.415 -0.036 1.00 1.14 H new ATOM 0 HD13 LEU A 431 107.889 0.660 -1.453 1.00 1.14 H new ATOM 0 HD21 LEU A 431 110.621 1.986 -0.990 1.00 1.40 H new ATOM 0 HD22 LEU A 431 109.115 2.830 -1.418 1.00 1.40 H new ATOM 0 HD23 LEU A 431 110.027 3.317 0.031 1.00 1.40 H new ATOM 1789 N VAL A 432 106.242 4.854 1.977 1.00 0.49 N ATOM 1790 CA VAL A 432 105.052 5.369 2.704 1.00 0.48 C ATOM 1791 C VAL A 432 103.781 5.068 1.911 1.00 0.48 C ATOM 1792 O VAL A 432 103.756 5.170 0.700 1.00 0.52 O ATOM 1793 CB VAL A 432 105.275 6.873 2.827 1.00 0.43 C ATOM 1794 CG1 VAL A 432 104.098 7.508 3.568 1.00 0.45 C ATOM 1795 CG2 VAL A 432 106.567 7.132 3.607 1.00 0.51 C ATOM 0 H VAL A 432 106.501 5.366 1.134 1.00 0.49 H new ATOM 0 HA VAL A 432 104.931 4.902 3.682 1.00 0.48 H new ATOM 0 HB VAL A 432 105.354 7.310 1.832 1.00 0.43 H new ATOM 0 HG11 VAL A 432 104.260 8.582 3.655 1.00 0.45 H new ATOM 0 HG12 VAL A 432 103.177 7.323 3.015 1.00 0.45 H new ATOM 0 HG13 VAL A 432 104.017 7.072 4.564 1.00 0.45 H new ATOM 0 HG21 VAL A 432 106.729 8.206 3.696 1.00 0.51 H new ATOM 0 HG22 VAL A 432 106.486 6.693 4.601 1.00 0.51 H new ATOM 0 HG23 VAL A 432 107.407 6.681 3.079 1.00 0.51 H new ATOM 1805 N VAL A 433 102.745 4.652 2.582 1.00 0.44 N ATOM 1806 CA VAL A 433 101.484 4.288 1.878 1.00 0.45 C ATOM 1807 C VAL A 433 100.356 5.218 2.322 1.00 0.37 C ATOM 1808 O VAL A 433 100.186 5.483 3.498 1.00 0.37 O ATOM 1809 CB VAL A 433 101.191 2.850 2.305 1.00 0.56 C ATOM 1810 CG1 VAL A 433 99.991 2.316 1.520 1.00 0.59 C ATOM 1811 CG2 VAL A 433 102.414 1.974 2.023 1.00 1.08 C ATOM 0 H VAL A 433 102.717 4.548 3.596 1.00 0.44 H new ATOM 0 HA VAL A 433 101.571 4.379 0.795 1.00 0.45 H new ATOM 0 HB VAL A 433 100.966 2.829 3.371 1.00 0.56 H new ATOM 0 HG11 VAL A 433 99.783 1.291 1.826 1.00 0.59 H new ATOM 0 HG12 VAL A 433 99.119 2.938 1.721 1.00 0.59 H new ATOM 0 HG13 VAL A 433 100.215 2.338 0.453 1.00 0.59 H new ATOM 0 HG21 VAL A 433 102.205 0.948 2.328 1.00 1.08 H new ATOM 0 HG22 VAL A 433 102.640 1.997 0.957 1.00 1.08 H new ATOM 0 HG23 VAL A 433 103.269 2.352 2.583 1.00 1.08 H new ATOM 1821 N VAL A 434 99.560 5.672 1.397 1.00 0.43 N ATOM 1822 CA VAL A 434 98.409 6.543 1.762 1.00 0.43 C ATOM 1823 C VAL A 434 97.115 5.974 1.182 1.00 0.48 C ATOM 1824 O VAL A 434 97.119 5.347 0.143 1.00 0.90 O ATOM 1825 CB VAL A 434 98.721 7.913 1.143 1.00 0.53 C ATOM 1826 CG1 VAL A 434 100.188 8.267 1.390 1.00 0.70 C ATOM 1827 CG2 VAL A 434 98.448 7.883 -0.364 1.00 0.49 C ATOM 0 H VAL A 434 99.657 5.477 0.400 1.00 0.43 H new ATOM 0 HA VAL A 434 98.273 6.611 2.841 1.00 0.43 H new ATOM 0 HB VAL A 434 98.082 8.665 1.606 1.00 0.53 H new ATOM 0 HG11 VAL A 434 100.407 9.240 0.950 1.00 0.70 H new ATOM 0 HG12 VAL A 434 100.378 8.303 2.463 1.00 0.70 H new ATOM 0 HG13 VAL A 434 100.827 7.510 0.934 1.00 0.70 H new ATOM 0 HG21 VAL A 434 98.672 8.859 -0.794 1.00 0.49 H new ATOM 0 HG22 VAL A 434 99.078 7.127 -0.833 1.00 0.49 H new ATOM 0 HG23 VAL A 434 97.400 7.642 -0.539 1.00 0.49 H new ATOM 1837 N GLU A 435 96.006 6.402 1.707 1.00 0.61 N ATOM 1838 CA GLU A 435 94.714 6.124 1.030 1.00 0.60 C ATOM 1839 C GLU A 435 94.093 7.443 0.592 1.00 0.62 C ATOM 1840 O GLU A 435 94.014 8.384 1.355 1.00 0.67 O ATOM 1841 CB GLU A 435 93.843 5.434 2.076 1.00 0.70 C ATOM 1842 CG GLU A 435 93.830 3.934 1.805 1.00 0.76 C ATOM 1843 CD GLU A 435 92.913 3.238 2.813 1.00 1.13 C ATOM 1844 OE1 GLU A 435 92.447 3.906 3.721 1.00 1.34 O ATOM 1845 OE2 GLU A 435 92.692 2.048 2.660 1.00 1.79 O ATOM 0 H GLU A 435 95.938 6.932 2.576 1.00 0.61 H new ATOM 0 HA GLU A 435 94.827 5.499 0.144 1.00 0.60 H new ATOM 0 HB2 GLU A 435 94.229 5.632 3.076 1.00 0.70 H new ATOM 0 HB3 GLU A 435 92.828 5.831 2.041 1.00 0.70 H new ATOM 0 HG2 GLU A 435 93.484 3.741 0.790 1.00 0.76 H new ATOM 0 HG3 GLU A 435 94.840 3.532 1.879 1.00 0.76 H new ATOM 1852 N GLY A 436 93.810 7.576 -0.669 1.00 0.61 N ATOM 1853 CA GLY A 436 93.383 8.905 -1.177 1.00 0.64 C ATOM 1854 C GLY A 436 94.557 9.882 -1.058 1.00 0.68 C ATOM 1855 O GLY A 436 95.518 9.805 -1.798 1.00 1.42 O ATOM 0 H GLY A 436 93.855 6.831 -1.365 1.00 0.61 H new ATOM 0 HA2 GLY A 436 93.062 8.826 -2.216 1.00 0.64 H new ATOM 0 HA3 GLY A 436 92.529 9.270 -0.606 1.00 0.64 H new ATOM 1859 N SER A 437 94.467 10.827 -0.163 1.00 0.84 N ATOM 1860 CA SER A 437 95.552 11.842 -0.032 1.00 0.81 C ATOM 1861 C SER A 437 96.176 11.804 1.370 1.00 0.83 C ATOM 1862 O SER A 437 96.916 12.690 1.747 1.00 1.35 O ATOM 1863 CB SER A 437 94.862 13.182 -0.268 1.00 0.80 C ATOM 1864 OG SER A 437 94.157 13.561 0.907 1.00 1.42 O ATOM 0 H SER A 437 93.687 10.941 0.485 1.00 0.84 H new ATOM 0 HA SER A 437 96.364 11.660 -0.736 1.00 0.81 H new ATOM 0 HB2 SER A 437 95.599 13.943 -0.525 1.00 0.80 H new ATOM 0 HB3 SER A 437 94.174 13.107 -1.110 1.00 0.80 H new ATOM 0 HG SER A 437 93.714 14.423 0.759 1.00 1.42 H new ATOM 1870 N ARG A 438 95.855 10.817 2.165 1.00 0.53 N ATOM 1871 CA ARG A 438 96.406 10.781 3.552 1.00 0.62 C ATOM 1872 C ARG A 438 97.225 9.502 3.765 1.00 0.65 C ATOM 1873 O ARG A 438 96.888 8.447 3.266 1.00 0.69 O ATOM 1874 CB ARG A 438 95.180 10.793 4.463 1.00 0.78 C ATOM 1875 CG ARG A 438 94.524 9.413 4.451 1.00 1.34 C ATOM 1876 CD ARG A 438 93.120 9.507 5.048 1.00 1.53 C ATOM 1877 NE ARG A 438 92.638 8.100 5.120 1.00 2.25 N ATOM 1878 CZ ARG A 438 93.146 7.275 5.997 1.00 2.95 C ATOM 1879 NH1 ARG A 438 94.080 7.677 6.816 1.00 3.49 N ATOM 1880 NH2 ARG A 438 92.717 6.043 6.054 1.00 3.52 N ATOM 0 H ARG A 438 95.241 10.041 1.917 1.00 0.53 H new ATOM 0 HA ARG A 438 97.073 11.619 3.755 1.00 0.62 H new ATOM 0 HB2 ARG A 438 95.471 11.060 5.479 1.00 0.78 H new ATOM 0 HB3 ARG A 438 94.470 11.548 4.125 1.00 0.78 H new ATOM 0 HG2 ARG A 438 94.471 9.033 3.431 1.00 1.34 H new ATOM 0 HG3 ARG A 438 95.127 8.708 5.023 1.00 1.34 H new ATOM 0 HD2 ARG A 438 93.141 9.968 6.035 1.00 1.53 H new ATOM 0 HD3 ARG A 438 92.466 10.117 4.425 1.00 1.53 H new ATOM 0 HE ARG A 438 91.909 7.779 4.483 1.00 2.25 H new ATOM 0 HH11 ARG A 438 94.416 8.639 6.773 1.00 3.49 H new ATOM 0 HH12 ARG A 438 94.473 7.029 7.499 1.00 3.49 H new ATOM 0 HH21 ARG A 438 91.987 5.727 5.415 1.00 3.52 H new ATOM 0 HH22 ARG A 438 93.112 5.397 6.737 1.00 3.52 H new ATOM 1894 N VAL A 439 98.308 9.597 4.482 1.00 0.67 N ATOM 1895 CA VAL A 439 99.171 8.399 4.697 1.00 0.74 C ATOM 1896 C VAL A 439 98.547 7.467 5.735 1.00 0.93 C ATOM 1897 O VAL A 439 98.230 7.870 6.836 1.00 1.41 O ATOM 1898 CB VAL A 439 100.496 8.958 5.213 1.00 0.89 C ATOM 1899 CG1 VAL A 439 101.508 7.819 5.355 1.00 0.99 C ATOM 1900 CG2 VAL A 439 101.034 9.993 4.221 1.00 0.86 C ATOM 0 H VAL A 439 98.635 10.453 4.930 1.00 0.67 H new ATOM 0 HA VAL A 439 99.296 7.815 3.785 1.00 0.74 H new ATOM 0 HB VAL A 439 100.338 9.430 6.183 1.00 0.89 H new ATOM 0 HG11 VAL A 439 102.454 8.216 5.723 1.00 0.99 H new ATOM 0 HG12 VAL A 439 101.127 7.079 6.059 1.00 0.99 H new ATOM 0 HG13 VAL A 439 101.665 7.349 4.384 1.00 0.99 H new ATOM 0 HG21 VAL A 439 101.979 10.392 4.589 1.00 0.86 H new ATOM 0 HG22 VAL A 439 101.192 9.520 3.252 1.00 0.86 H new ATOM 0 HG23 VAL A 439 100.314 10.804 4.116 1.00 0.86 H new ATOM 1910 N LEU A 440 98.387 6.214 5.402 1.00 0.79 N ATOM 1911 CA LEU A 440 97.806 5.255 6.381 1.00 1.07 C ATOM 1912 C LEU A 440 98.914 4.608 7.218 1.00 0.74 C ATOM 1913 O LEU A 440 98.696 4.222 8.348 1.00 0.88 O ATOM 1914 CB LEU A 440 97.072 4.206 5.543 1.00 1.60 C ATOM 1915 CG LEU A 440 98.008 3.634 4.479 1.00 1.48 C ATOM 1916 CD1 LEU A 440 98.108 2.121 4.652 1.00 1.79 C ATOM 1917 CD2 LEU A 440 97.445 3.946 3.092 1.00 1.57 C ATOM 0 H LEU A 440 98.633 5.815 4.496 1.00 0.79 H new ATOM 0 HA LEU A 440 97.132 5.748 7.082 1.00 1.07 H new ATOM 0 HB2 LEU A 440 96.708 3.405 6.187 1.00 1.60 H new ATOM 0 HB3 LEU A 440 96.200 4.655 5.068 1.00 1.60 H new ATOM 0 HG LEU A 440 98.997 4.080 4.584 1.00 1.48 H new ATOM 0 HD11 LEU A 440 98.775 1.711 3.894 1.00 1.79 H new ATOM 0 HD12 LEU A 440 98.501 1.893 5.643 1.00 1.79 H new ATOM 0 HD13 LEU A 440 97.119 1.676 4.543 1.00 1.79 H new ATOM 0 HD21 LEU A 440 98.110 3.540 2.330 1.00 1.57 H new ATOM 0 HD22 LEU A 440 96.458 3.495 2.990 1.00 1.57 H new ATOM 0 HD23 LEU A 440 97.366 5.026 2.966 1.00 1.57 H new ATOM 1929 N GLY A 441 100.107 4.501 6.689 1.00 0.64 N ATOM 1930 CA GLY A 441 101.211 3.895 7.493 1.00 1.02 C ATOM 1931 C GLY A 441 102.509 3.851 6.680 1.00 0.82 C ATOM 1932 O GLY A 441 102.569 4.307 5.559 1.00 0.96 O ATOM 0 H GLY A 441 100.362 4.802 5.749 1.00 0.64 H new ATOM 0 HA2 GLY A 441 101.365 4.474 8.403 1.00 1.02 H new ATOM 0 HA3 GLY A 441 100.933 2.887 7.800 1.00 1.02 H new ATOM 1936 N VAL A 442 103.554 3.316 7.256 1.00 0.56 N ATOM 1937 CA VAL A 442 104.864 3.251 6.542 1.00 0.44 C ATOM 1938 C VAL A 442 105.299 1.789 6.380 1.00 0.41 C ATOM 1939 O VAL A 442 104.929 0.933 7.159 1.00 0.41 O ATOM 1940 CB VAL A 442 105.840 3.993 7.450 1.00 0.42 C ATOM 1941 CG1 VAL A 442 107.221 4.018 6.796 1.00 0.44 C ATOM 1942 CG2 VAL A 442 105.347 5.425 7.663 1.00 0.57 C ATOM 0 H VAL A 442 103.556 2.919 8.196 1.00 0.56 H new ATOM 0 HA VAL A 442 104.816 3.687 5.544 1.00 0.44 H new ATOM 0 HB VAL A 442 105.904 3.485 8.412 1.00 0.42 H new ATOM 0 HG11 VAL A 442 107.920 4.548 7.443 1.00 0.44 H new ATOM 0 HG12 VAL A 442 107.570 2.997 6.644 1.00 0.44 H new ATOM 0 HG13 VAL A 442 107.159 4.528 5.834 1.00 0.44 H new ATOM 0 HG21 VAL A 442 106.043 5.957 8.312 1.00 0.57 H new ATOM 0 HG22 VAL A 442 105.285 5.935 6.702 1.00 0.57 H new ATOM 0 HG23 VAL A 442 104.361 5.405 8.128 1.00 0.57 H new ATOM 1952 N ILE A 443 106.103 1.501 5.393 1.00 0.42 N ATOM 1953 CA ILE A 443 106.583 0.097 5.205 1.00 0.43 C ATOM 1954 C ILE A 443 108.113 0.055 5.188 1.00 0.44 C ATOM 1955 O ILE A 443 108.756 0.787 4.470 1.00 0.51 O ATOM 1956 CB ILE A 443 106.031 -0.347 3.851 1.00 0.47 C ATOM 1957 CG1 ILE A 443 104.542 -0.005 3.764 1.00 0.51 C ATOM 1958 CG2 ILE A 443 106.212 -1.859 3.696 1.00 0.56 C ATOM 1959 CD1 ILE A 443 103.789 -0.697 4.902 1.00 1.05 C ATOM 0 H ILE A 443 106.449 2.174 4.709 1.00 0.42 H new ATOM 0 HA ILE A 443 106.250 -0.554 6.014 1.00 0.43 H new ATOM 0 HB ILE A 443 106.570 0.170 3.057 1.00 0.47 H new ATOM 0 HG12 ILE A 443 104.402 1.074 3.825 1.00 0.51 H new ATOM 0 HG13 ILE A 443 104.141 -0.324 2.802 1.00 0.51 H new ATOM 0 HG21 ILE A 443 105.818 -2.175 2.730 1.00 0.56 H new ATOM 0 HG22 ILE A 443 107.272 -2.106 3.754 1.00 0.56 H new ATOM 0 HG23 ILE A 443 105.675 -2.373 4.493 1.00 0.56 H new ATOM 0 HD11 ILE A 443 102.729 -0.452 4.838 1.00 1.05 H new ATOM 0 HD12 ILE A 443 103.918 -1.776 4.820 1.00 1.05 H new ATOM 0 HD13 ILE A 443 104.183 -0.356 5.859 1.00 1.05 H new ATOM 1971 N ALA A 444 108.694 -0.763 6.010 1.00 0.40 N ATOM 1972 CA ALA A 444 110.182 -0.821 6.093 1.00 0.44 C ATOM 1973 C ALA A 444 110.706 -2.066 5.373 1.00 0.43 C ATOM 1974 O ALA A 444 110.316 -3.173 5.681 1.00 0.45 O ATOM 1975 CB ALA A 444 110.484 -0.910 7.589 1.00 0.46 C ATOM 0 H ALA A 444 108.202 -1.401 6.635 1.00 0.40 H new ATOM 0 HA ALA A 444 110.656 0.041 5.624 1.00 0.44 H new ATOM 0 HB1 ALA A 444 111.562 -0.957 7.740 1.00 0.46 H new ATOM 0 HB2 ALA A 444 110.085 -0.030 8.094 1.00 0.46 H new ATOM 0 HB3 ALA A 444 110.021 -1.806 8.001 1.00 0.46 H new ATOM 1981 N LEU A 445 111.548 -1.896 4.392 1.00 0.57 N ATOM 1982 CA LEU A 445 112.048 -3.078 3.631 1.00 0.63 C ATOM 1983 C LEU A 445 113.480 -3.413 4.056 1.00 0.75 C ATOM 1984 O LEU A 445 114.287 -2.531 4.270 1.00 0.92 O ATOM 1985 CB LEU A 445 112.025 -2.649 2.164 1.00 0.81 C ATOM 1986 CG LEU A 445 110.597 -2.699 1.616 1.00 1.23 C ATOM 1987 CD1 LEU A 445 109.657 -1.905 2.525 1.00 2.11 C ATOM 1988 CD2 LEU A 445 110.574 -2.089 0.212 1.00 1.91 C ATOM 0 H LEU A 445 111.911 -0.994 4.084 1.00 0.57 H new ATOM 0 HA LEU A 445 111.440 -3.965 3.810 1.00 0.63 H new ATOM 0 HB2 LEU A 445 112.423 -1.639 2.068 1.00 0.81 H new ATOM 0 HB3 LEU A 445 112.670 -3.303 1.577 1.00 0.81 H new ATOM 0 HG LEU A 445 110.265 -3.737 1.578 1.00 1.23 H new ATOM 0 HD11 LEU A 445 108.644 -1.947 2.126 1.00 2.11 H new ATOM 0 HD12 LEU A 445 109.671 -2.335 3.527 1.00 2.11 H new ATOM 0 HD13 LEU A 445 109.986 -0.867 2.571 1.00 2.11 H new ATOM 0 HD21 LEU A 445 109.558 -2.122 -0.183 1.00 1.91 H new ATOM 0 HD22 LEU A 445 110.911 -1.053 0.260 1.00 1.91 H new ATOM 0 HD23 LEU A 445 111.236 -2.656 -0.442 1.00 1.91 H new ATOM 2000 N LYS A 446 113.834 -4.670 4.064 1.00 0.89 N ATOM 2001 CA LYS A 446 115.246 -5.041 4.343 1.00 1.15 C ATOM 2002 C LYS A 446 116.029 -5.099 3.033 1.00 1.27 C ATOM 2003 O LYS A 446 115.515 -5.510 2.015 1.00 1.87 O ATOM 2004 CB LYS A 446 115.165 -6.423 4.974 1.00 1.92 C ATOM 2005 CG LYS A 446 116.519 -6.802 5.568 1.00 2.25 C ATOM 2006 CD LYS A 446 116.431 -8.217 6.135 1.00 2.85 C ATOM 2007 CE LYS A 446 117.719 -8.550 6.891 1.00 3.64 C ATOM 2008 NZ LYS A 446 117.384 -9.749 7.709 1.00 4.48 N ATOM 0 H LYS A 446 113.205 -5.454 3.889 1.00 0.89 H new ATOM 0 HA LYS A 446 115.750 -4.325 4.991 1.00 1.15 H new ATOM 0 HB2 LYS A 446 114.401 -6.433 5.751 1.00 1.92 H new ATOM 0 HB3 LYS A 446 114.868 -7.157 4.225 1.00 1.92 H new ATOM 0 HG2 LYS A 446 117.294 -6.750 4.803 1.00 2.25 H new ATOM 0 HG3 LYS A 446 116.797 -6.098 6.352 1.00 2.25 H new ATOM 0 HD2 LYS A 446 115.574 -8.299 6.803 1.00 2.85 H new ATOM 0 HD3 LYS A 446 116.276 -8.933 5.328 1.00 2.85 H new ATOM 0 HE2 LYS A 446 118.539 -8.758 6.203 1.00 3.64 H new ATOM 0 HE3 LYS A 446 118.034 -7.718 7.520 1.00 3.64 H new ATOM 0 HZ1 LYS A 446 118.219 -10.039 8.258 1.00 4.48 H new ATOM 0 HZ2 LYS A 446 116.605 -9.519 8.359 1.00 4.48 H new ATOM 0 HZ3 LYS A 446 117.094 -10.527 7.082 1.00 4.48 H new