USER MOD reduce.3.24.130724 H: found=0, std=0, add=899, rem=0, adj=19 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= -2.78! C(o=-3.3!,f=-4.3!) USER MOD Set 1.2: A 408 ASN : amide:sc= -0.501 X(o=-3.3,f=-2.8) USER MOD Set 2.1: A 378 THR OG1 : rot 180:sc= 1.01 USER MOD Set 2.2: A 381 SER OG : rot -67:sc= 1.18 USER MOD Set 2.3: A 383 MET CE :methyl -152:sc= -1.63 (180deg=-3.88!) USER MOD Single : A 318 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 320 SER OG : rot -150:sc= -0.0303 USER MOD Single : A 326 GLN : amide:sc= -2.28! C(o=-2.3!,f=-3.9!) USER MOD Single : A 331 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 332 THR OG1 : rot -170:sc= -0.447 USER MOD Single : A 338 GLN : amide:sc= -16! C(o=-16!,f=-32!) USER MOD Single : A 341 SER OG : rot -24:sc= -4.37! USER MOD Single : A 351 SER OG : rot -170:sc= -0.498 USER MOD Single : A 368 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 369 SER OG : rot -47:sc= -1.18! USER MOD Single : A 371 HIS : no HD1:sc= -0.339 X(o=-0.34,f=-0.35) 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 86:sc= 0.00999 USER MOD Single : A 387 ASN :FLIP amide:sc= -2.67 F(o=-5.3!,f=-2.7) USER MOD Single : A 390 ASN : amide:sc= -0.374 K(o=-0.37,f=-1.4) USER MOD Single : A 392 MET CE :methyl -140:sc= -0.51 (180deg=-2.48!) USER MOD Single : A 395 LYS NZ :NH3+ -178:sc= -6.85! (180deg=-7.07!) USER MOD Single : A 397 SER OG : rot -170:sc= -3.65! USER MOD Single : A 411 HIS : no HD1:sc= -0.7 K(o=-0.7,f=-1.6) USER MOD Single : A 414 THR OG1 : rot 180:sc= 0 USER MOD Single : A 418 GLN : amide:sc=-0.00454 K(o=-0.0045,f=-1.8!) USER MOD Single : A 419 LYS NZ :NH3+ -158:sc= -0.113 (180deg=-0.906) USER MOD Single : A 422 GLN :FLIP amide:sc= -1.07 F(o=-2.4!,f=-1.1) USER MOD Single : A 426 GLN : amide:sc= -0.0822 K(o=-0.082,f=-0.6) 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 318 113.266 -6.252 0.039 1.00 2.19 N ATOM 40 CA GLN A 318 111.882 -6.751 0.278 1.00 2.64 C ATOM 41 C GLN A 318 111.286 -6.096 1.525 1.00 2.16 C ATOM 42 O GLN A 318 111.942 -5.966 2.538 1.00 2.69 O ATOM 43 CB GLN A 318 112.042 -8.257 0.494 1.00 3.37 C ATOM 44 CG GLN A 318 110.767 -8.826 1.121 1.00 4.16 C ATOM 45 CD GLN A 318 110.918 -10.337 1.303 1.00 4.79 C ATOM 46 OE1 GLN A 318 111.871 -10.926 0.834 1.00 4.85 O ATOM 47 NE2 GLN A 318 110.010 -10.995 1.971 1.00 5.58 N ATOM 0 HA GLN A 318 111.212 -6.521 -0.551 1.00 2.64 H new ATOM 0 HB2 GLN A 318 112.243 -8.751 -0.456 1.00 3.37 H new ATOM 0 HB3 GLN A 318 112.896 -8.453 1.142 1.00 3.37 H new ATOM 0 HG2 GLN A 318 110.579 -8.350 2.083 1.00 4.16 H new ATOM 0 HG3 GLN A 318 109.909 -8.610 0.485 1.00 4.16 H new ATOM 0 HE21 GLN A 318 109.209 -10.501 2.365 1.00 5.58 H new ATOM 0 HE22 GLN A 318 110.101 -12.003 2.099 1.00 5.58 H new ATOM 56 N ALA A 319 110.022 -5.778 1.500 1.00 1.32 N ATOM 57 CA ALA A 319 109.378 -5.245 2.732 1.00 1.05 C ATOM 58 C ALA A 319 109.440 -6.288 3.841 1.00 0.89 C ATOM 59 O ALA A 319 109.069 -7.430 3.653 1.00 1.18 O ATOM 60 CB ALA A 319 107.927 -4.985 2.346 1.00 1.42 C ATOM 0 H ALA A 319 109.412 -5.863 0.687 1.00 1.32 H new ATOM 0 HA ALA A 319 109.873 -4.345 3.096 1.00 1.05 H new ATOM 0 HB1 ALA A 319 107.387 -4.590 3.206 1.00 1.42 H new ATOM 0 HB2 ALA A 319 107.891 -4.262 1.531 1.00 1.42 H new ATOM 0 HB3 ALA A 319 107.463 -5.917 2.024 1.00 1.42 H new ATOM 66 N SER A 320 109.824 -5.890 5.017 1.00 0.59 N ATOM 67 CA SER A 320 109.810 -6.851 6.150 1.00 0.64 C ATOM 68 C SER A 320 108.740 -6.461 7.175 1.00 0.49 C ATOM 69 O SER A 320 108.067 -7.307 7.732 1.00 0.50 O ATOM 70 CB SER A 320 111.206 -6.769 6.765 1.00 0.78 C ATOM 71 OG SER A 320 112.054 -7.719 6.134 1.00 1.60 O ATOM 0 H SER A 320 110.145 -4.948 5.243 1.00 0.59 H new ATOM 0 HA SER A 320 109.572 -7.863 5.823 1.00 0.64 H new ATOM 0 HB2 SER A 320 111.611 -5.765 6.642 1.00 0.78 H new ATOM 0 HB3 SER A 320 111.156 -6.964 7.836 1.00 0.78 H new ATOM 0 HG SER A 320 112.738 -8.020 6.769 1.00 1.60 H new ATOM 77 N GLU A 321 108.594 -5.194 7.452 1.00 0.45 N ATOM 78 CA GLU A 321 107.586 -4.770 8.469 1.00 0.44 C ATOM 79 C GLU A 321 106.818 -3.536 7.996 1.00 0.37 C ATOM 80 O GLU A 321 107.390 -2.589 7.506 1.00 0.35 O ATOM 81 CB GLU A 321 108.391 -4.442 9.719 1.00 0.59 C ATOM 82 CG GLU A 321 107.442 -4.022 10.841 1.00 0.73 C ATOM 83 CD GLU A 321 108.253 -3.600 12.068 1.00 1.02 C ATOM 84 OE1 GLU A 321 109.470 -3.620 11.983 1.00 1.82 O ATOM 85 OE2 GLU A 321 107.644 -3.265 13.070 1.00 1.30 O ATOM 0 H GLU A 321 109.125 -4.437 7.022 1.00 0.45 H new ATOM 0 HA GLU A 321 106.846 -5.550 8.648 1.00 0.44 H new ATOM 0 HB2 GLU A 321 108.974 -5.310 10.027 1.00 0.59 H new ATOM 0 HB3 GLU A 321 109.099 -3.641 9.508 1.00 0.59 H new ATOM 0 HG2 GLU A 321 106.811 -3.198 10.508 1.00 0.73 H new ATOM 0 HG3 GLU A 321 106.778 -4.848 11.098 1.00 0.73 H new ATOM 92 N PHE A 322 105.550 -3.486 8.281 1.00 0.40 N ATOM 93 CA PHE A 322 104.767 -2.244 8.004 1.00 0.37 C ATOM 94 C PHE A 322 104.220 -1.663 9.307 1.00 0.38 C ATOM 95 O PHE A 322 103.855 -2.383 10.215 1.00 0.42 O ATOM 96 CB PHE A 322 103.633 -2.676 7.074 1.00 0.41 C ATOM 97 CG PHE A 322 102.932 -3.882 7.647 1.00 0.52 C ATOM 98 CD1 PHE A 322 103.472 -5.161 7.451 1.00 0.94 C ATOM 99 CD2 PHE A 322 101.741 -3.726 8.369 1.00 0.67 C ATOM 100 CE1 PHE A 322 102.821 -6.284 7.979 1.00 1.14 C ATOM 101 CE2 PHE A 322 101.091 -4.851 8.896 1.00 0.87 C ATOM 102 CZ PHE A 322 101.631 -6.129 8.701 1.00 1.00 C ATOM 0 H PHE A 322 105.017 -4.251 8.695 1.00 0.40 H new ATOM 0 HA PHE A 322 105.378 -1.465 7.548 1.00 0.37 H new ATOM 0 HB2 PHE A 322 102.924 -1.858 6.947 1.00 0.41 H new ATOM 0 HB3 PHE A 322 104.030 -2.910 6.086 1.00 0.41 H new ATOM 0 HD1 PHE A 322 104.389 -5.281 6.893 1.00 0.94 H new ATOM 0 HD2 PHE A 322 101.325 -2.741 8.519 1.00 0.67 H new ATOM 0 HE1 PHE A 322 103.237 -7.269 7.829 1.00 1.14 H new ATOM 0 HE2 PHE A 322 100.173 -4.732 9.453 1.00 0.87 H new ATOM 0 HZ PHE A 322 101.129 -6.995 9.108 1.00 1.00 H new ATOM 112 N ILE A 323 104.114 -0.366 9.387 1.00 0.37 N ATOM 113 CA ILE A 323 103.538 0.258 10.615 1.00 0.41 C ATOM 114 C ILE A 323 102.508 1.328 10.238 1.00 0.43 C ATOM 115 O ILE A 323 102.708 2.082 9.307 1.00 0.53 O ATOM 116 CB ILE A 323 104.716 0.897 11.343 1.00 0.44 C ATOM 117 CG1 ILE A 323 105.915 -0.055 11.323 1.00 0.46 C ATOM 118 CG2 ILE A 323 104.313 1.175 12.790 1.00 0.48 C ATOM 119 CD1 ILE A 323 106.764 0.218 10.079 1.00 0.52 C ATOM 0 H ILE A 323 104.400 0.289 8.659 1.00 0.37 H new ATOM 0 HA ILE A 323 103.027 -0.477 11.237 1.00 0.41 H new ATOM 0 HB ILE A 323 104.991 1.828 10.848 1.00 0.44 H new ATOM 0 HG12 ILE A 323 106.515 0.080 12.223 1.00 0.46 H new ATOM 0 HG13 ILE A 323 105.571 -1.089 11.322 1.00 0.46 H new ATOM 0 HG21 ILE A 323 105.149 1.632 13.319 1.00 0.48 H new ATOM 0 HG22 ILE A 323 103.459 1.852 12.806 1.00 0.48 H new ATOM 0 HG23 ILE A 323 104.043 0.239 13.279 1.00 0.48 H new ATOM 0 HD11 ILE A 323 107.617 -0.460 10.065 1.00 0.52 H new ATOM 0 HD12 ILE A 323 106.161 0.060 9.185 1.00 0.52 H new ATOM 0 HD13 ILE A 323 107.119 1.248 10.100 1.00 0.52 H new ATOM 131 N PRO A 324 101.411 1.316 10.949 1.00 0.36 N ATOM 132 CA PRO A 324 100.298 2.253 10.652 1.00 0.40 C ATOM 133 C PRO A 324 100.740 3.706 10.813 1.00 0.64 C ATOM 134 O PRO A 324 101.585 4.025 11.627 1.00 1.44 O ATOM 135 CB PRO A 324 99.228 1.921 11.686 1.00 0.33 C ATOM 136 CG PRO A 324 99.638 0.634 12.325 1.00 0.30 C ATOM 137 CD PRO A 324 101.110 0.441 12.082 1.00 0.29 C ATOM 0 HA PRO A 324 99.946 2.146 9.626 1.00 0.40 H new ATOM 0 HB2 PRO A 324 99.148 2.714 12.429 1.00 0.33 H new ATOM 0 HB3 PRO A 324 98.250 1.825 11.215 1.00 0.33 H new ATOM 0 HG2 PRO A 324 99.428 0.656 13.394 1.00 0.30 H new ATOM 0 HG3 PRO A 324 99.071 -0.197 11.906 1.00 0.30 H new ATOM 0 HD2 PRO A 324 101.696 0.712 12.960 1.00 0.29 H new ATOM 0 HD3 PRO A 324 101.342 -0.599 11.853 1.00 0.29 H new ATOM 145 N ALA A 325 100.044 4.601 10.171 1.00 0.75 N ATOM 146 CA ALA A 325 100.272 6.048 10.425 1.00 0.98 C ATOM 147 C ALA A 325 99.598 6.450 11.735 1.00 0.81 C ATOM 148 O ALA A 325 99.253 5.616 12.549 1.00 1.11 O ATOM 149 CB ALA A 325 99.620 6.766 9.243 1.00 1.58 C ATOM 0 H ALA A 325 99.325 4.391 9.479 1.00 0.75 H new ATOM 0 HA ALA A 325 101.329 6.297 10.514 1.00 0.98 H new ATOM 0 HB1 ALA A 325 99.746 7.843 9.357 1.00 1.58 H new ATOM 0 HB2 ALA A 325 100.092 6.442 8.315 1.00 1.58 H new ATOM 0 HB3 ALA A 325 98.557 6.526 9.213 1.00 1.58 H new ATOM 155 N GLN A 326 99.456 7.720 11.969 1.00 0.91 N ATOM 156 CA GLN A 326 98.863 8.176 13.256 1.00 1.48 C ATOM 157 C GLN A 326 97.406 7.710 13.369 1.00 1.32 C ATOM 158 O GLN A 326 96.510 8.304 12.802 1.00 1.83 O ATOM 159 CB GLN A 326 98.937 9.702 13.191 1.00 2.25 C ATOM 160 CG GLN A 326 98.618 10.294 14.567 1.00 3.14 C ATOM 161 CD GLN A 326 98.875 11.801 14.540 1.00 3.55 C ATOM 162 OE1 GLN A 326 99.320 12.336 13.545 1.00 4.00 O ATOM 163 NE2 GLN A 326 98.614 12.515 15.601 1.00 3.92 N ATOM 0 H GLN A 326 99.724 8.465 11.326 1.00 0.91 H new ATOM 0 HA GLN A 326 99.386 7.773 14.123 1.00 1.48 H new ATOM 0 HB2 GLN A 326 99.931 10.014 12.872 1.00 2.25 H new ATOM 0 HB3 GLN A 326 98.232 10.079 12.450 1.00 2.25 H new ATOM 0 HG2 GLN A 326 97.579 10.095 14.829 1.00 3.14 H new ATOM 0 HG3 GLN A 326 99.235 9.822 15.331 1.00 3.14 H new ATOM 0 HE21 GLN A 326 98.240 12.067 16.438 1.00 3.92 H new ATOM 0 HE22 GLN A 326 98.784 13.521 15.593 1.00 3.92 H new ATOM 172 N GLY A 327 97.152 6.706 14.168 1.00 1.28 N ATOM 173 CA GLY A 327 95.742 6.270 14.397 1.00 1.48 C ATOM 174 C GLY A 327 95.352 5.176 13.398 1.00 1.24 C ATOM 175 O GLY A 327 94.185 4.934 13.159 1.00 1.52 O ATOM 0 H GLY A 327 97.859 6.170 14.671 1.00 1.28 H new ATOM 0 HA2 GLY A 327 95.631 5.898 15.415 1.00 1.48 H new ATOM 0 HA3 GLY A 327 95.070 7.122 14.294 1.00 1.48 H new ATOM 179 N VAL A 328 96.309 4.554 12.765 1.00 0.93 N ATOM 180 CA VAL A 328 95.974 3.531 11.729 1.00 1.03 C ATOM 181 C VAL A 328 96.214 2.113 12.266 1.00 1.06 C ATOM 182 O VAL A 328 97.083 1.888 13.084 1.00 1.71 O ATOM 183 CB VAL A 328 96.915 3.825 10.562 1.00 1.43 C ATOM 184 CG1 VAL A 328 96.619 2.857 9.415 1.00 1.73 C ATOM 185 CG2 VAL A 328 96.698 5.263 10.083 1.00 1.57 C ATOM 0 H VAL A 328 97.306 4.708 12.918 1.00 0.93 H new ATOM 0 HA VAL A 328 94.926 3.580 11.435 1.00 1.03 H new ATOM 0 HB VAL A 328 97.948 3.701 10.886 1.00 1.43 H new ATOM 0 HG11 VAL A 328 97.289 3.065 8.581 1.00 1.73 H new ATOM 0 HG12 VAL A 328 96.770 1.833 9.755 1.00 1.73 H new ATOM 0 HG13 VAL A 328 95.586 2.983 9.090 1.00 1.73 H new ATOM 0 HG21 VAL A 328 97.369 5.474 9.250 1.00 1.57 H new ATOM 0 HG22 VAL A 328 95.665 5.386 9.757 1.00 1.57 H new ATOM 0 HG23 VAL A 328 96.905 5.954 10.900 1.00 1.57 H new ATOM 195 N ASP A 329 95.462 1.153 11.793 1.00 1.16 N ATOM 196 CA ASP A 329 95.667 -0.254 12.250 1.00 1.20 C ATOM 197 C ASP A 329 96.749 -0.938 11.402 1.00 1.16 C ATOM 198 O ASP A 329 96.876 -0.685 10.221 1.00 1.39 O ATOM 199 CB ASP A 329 94.314 -0.937 12.043 1.00 1.44 C ATOM 200 CG ASP A 329 93.281 -0.320 12.988 1.00 1.37 C ATOM 201 OD1 ASP A 329 93.686 0.389 13.894 1.00 1.69 O ATOM 202 OD2 ASP A 329 92.104 -0.568 12.790 1.00 2.02 O ATOM 0 H ASP A 329 94.715 1.282 11.110 1.00 1.16 H new ATOM 0 HA ASP A 329 95.998 -0.306 13.287 1.00 1.20 H new ATOM 0 HB2 ASP A 329 93.991 -0.821 11.008 1.00 1.44 H new ATOM 0 HB3 ASP A 329 94.402 -2.007 12.232 1.00 1.44 H new ATOM 207 N GLU A 330 97.569 -1.753 12.012 1.00 1.13 N ATOM 208 CA GLU A 330 98.690 -2.396 11.258 1.00 1.11 C ATOM 209 C GLU A 330 98.149 -3.340 10.179 1.00 0.97 C ATOM 210 O GLU A 330 98.635 -3.366 9.067 1.00 0.91 O ATOM 211 CB GLU A 330 99.467 -3.185 12.313 1.00 1.28 C ATOM 212 CG GLU A 330 98.668 -4.427 12.717 1.00 1.68 C ATOM 213 CD GLU A 330 99.385 -5.146 13.861 1.00 2.07 C ATOM 214 OE1 GLU A 330 100.479 -4.726 14.204 1.00 2.70 O ATOM 215 OE2 GLU A 330 98.829 -6.103 14.374 1.00 2.49 O ATOM 0 H GLU A 330 97.512 -2.002 12.999 1.00 1.13 H new ATOM 0 HA GLU A 330 99.312 -1.662 10.746 1.00 1.11 H new ATOM 0 HB2 GLU A 330 100.440 -3.478 11.919 1.00 1.28 H new ATOM 0 HB3 GLU A 330 99.652 -2.559 13.186 1.00 1.28 H new ATOM 0 HG2 GLU A 330 97.663 -4.141 13.027 1.00 1.68 H new ATOM 0 HG3 GLU A 330 98.560 -5.096 11.864 1.00 1.68 H new ATOM 222 N LYS A 331 97.136 -4.101 10.488 1.00 0.98 N ATOM 223 CA LYS A 331 96.568 -5.025 9.463 1.00 0.92 C ATOM 224 C LYS A 331 96.054 -4.230 8.261 1.00 0.81 C ATOM 225 O LYS A 331 96.274 -4.592 7.123 1.00 0.80 O ATOM 226 CB LYS A 331 95.421 -5.747 10.167 1.00 1.02 C ATOM 227 CG LYS A 331 95.983 -6.628 11.283 1.00 1.49 C ATOM 228 CD LYS A 331 94.838 -7.363 11.981 1.00 2.27 C ATOM 229 CE LYS A 331 94.245 -8.406 11.031 1.00 2.60 C ATOM 230 NZ LYS A 331 92.928 -8.764 11.628 1.00 3.03 N ATOM 0 H LYS A 331 96.678 -4.124 11.399 1.00 0.98 H new ATOM 0 HA LYS A 331 97.311 -5.726 9.082 1.00 0.92 H new ATOM 0 HB2 LYS A 331 94.719 -5.022 10.580 1.00 1.02 H new ATOM 0 HB3 LYS A 331 94.867 -6.356 9.452 1.00 1.02 H new ATOM 0 HG2 LYS A 331 96.692 -7.346 10.871 1.00 1.49 H new ATOM 0 HG3 LYS A 331 96.529 -6.017 12.002 1.00 1.49 H new ATOM 0 HD2 LYS A 331 95.202 -7.847 12.888 1.00 2.27 H new ATOM 0 HD3 LYS A 331 94.068 -6.654 12.285 1.00 2.27 H new ATOM 0 HE2 LYS A 331 94.126 -8.002 10.026 1.00 2.60 H new ATOM 0 HE3 LYS A 331 94.892 -9.279 10.949 1.00 2.60 H new ATOM 0 HZ1 LYS A 331 92.459 -9.476 11.033 1.00 3.03 H new ATOM 0 HZ2 LYS A 331 93.073 -9.152 12.582 1.00 3.03 H new ATOM 0 HZ3 LYS A 331 92.331 -7.914 11.687 1.00 3.03 H new ATOM 244 N THR A 332 95.409 -3.125 8.503 1.00 0.78 N ATOM 245 CA THR A 332 94.926 -2.287 7.371 1.00 0.74 C ATOM 246 C THR A 332 96.103 -1.845 6.498 1.00 0.65 C ATOM 247 O THR A 332 96.039 -1.883 5.286 1.00 0.66 O ATOM 248 CB THR A 332 94.271 -1.074 8.032 1.00 0.77 C ATOM 249 OG1 THR A 332 93.233 -1.512 8.898 1.00 0.90 O ATOM 250 CG2 THR A 332 93.692 -0.155 6.956 1.00 0.82 C ATOM 0 H THR A 332 95.195 -2.766 9.433 1.00 0.78 H new ATOM 0 HA THR A 332 94.235 -2.827 6.724 1.00 0.74 H new ATOM 0 HB THR A 332 95.016 -0.526 8.609 1.00 0.77 H new ATOM 0 HG1 THR A 332 92.711 -0.739 9.200 1.00 0.90 H new ATOM 0 HG21 THR A 332 93.225 0.709 7.428 1.00 0.82 H new ATOM 0 HG22 THR A 332 94.491 0.180 6.295 1.00 0.82 H new ATOM 0 HG23 THR A 332 92.946 -0.698 6.376 1.00 0.82 H new ATOM 258 N LEU A 333 97.161 -1.388 7.105 1.00 0.59 N ATOM 259 CA LEU A 333 98.320 -0.899 6.305 1.00 0.57 C ATOM 260 C LEU A 333 98.908 -2.017 5.440 1.00 0.58 C ATOM 261 O LEU A 333 99.206 -1.822 4.279 1.00 0.54 O ATOM 262 CB LEU A 333 99.343 -0.437 7.341 1.00 0.68 C ATOM 263 CG LEU A 333 100.703 -0.267 6.666 1.00 0.64 C ATOM 264 CD1 LEU A 333 100.588 0.738 5.519 1.00 0.93 C ATOM 265 CD2 LEU A 333 101.710 0.246 7.692 1.00 0.87 C ATOM 0 H LEU A 333 97.275 -1.331 8.117 1.00 0.59 H new ATOM 0 HA LEU A 333 98.029 -0.103 5.620 1.00 0.57 H new ATOM 0 HB2 LEU A 333 99.025 0.505 7.788 1.00 0.68 H new ATOM 0 HB3 LEU A 333 99.414 -1.165 8.149 1.00 0.68 H new ATOM 0 HG LEU A 333 101.036 -1.227 6.270 1.00 0.64 H new ATOM 0 HD11 LEU A 333 101.560 0.856 5.040 1.00 0.93 H new ATOM 0 HD12 LEU A 333 99.865 0.375 4.788 1.00 0.93 H new ATOM 0 HD13 LEU A 333 100.257 1.700 5.910 1.00 0.93 H new ATOM 0 HD21 LEU A 333 102.683 0.369 7.217 1.00 0.87 H new ATOM 0 HD22 LEU A 333 101.373 1.206 8.084 1.00 0.87 H new ATOM 0 HD23 LEU A 333 101.794 -0.470 8.509 1.00 0.87 H new ATOM 277 N ALA A 334 99.081 -3.183 5.990 1.00 0.66 N ATOM 278 CA ALA A 334 99.657 -4.295 5.186 1.00 0.73 C ATOM 279 C ALA A 334 98.748 -4.590 3.993 1.00 0.68 C ATOM 280 O ALA A 334 99.196 -4.886 2.905 1.00 0.66 O ATOM 281 CB ALA A 334 99.709 -5.491 6.140 1.00 0.87 C ATOM 0 H ALA A 334 98.850 -3.415 6.956 1.00 0.66 H new ATOM 0 HA ALA A 334 100.644 -4.059 4.787 1.00 0.73 H new ATOM 0 HB1 ALA A 334 100.124 -6.354 5.619 1.00 0.87 H new ATOM 0 HB2 ALA A 334 100.338 -5.247 6.996 1.00 0.87 H new ATOM 0 HB3 ALA A 334 98.702 -5.725 6.485 1.00 0.87 H new ATOM 287 N ASP A 335 97.469 -4.523 4.194 1.00 0.67 N ATOM 288 CA ASP A 335 96.524 -4.822 3.081 1.00 0.65 C ATOM 289 C ASP A 335 96.640 -3.790 1.954 1.00 0.62 C ATOM 290 O ASP A 335 96.658 -4.131 0.788 1.00 0.69 O ATOM 291 CB ASP A 335 95.146 -4.738 3.715 1.00 0.67 C ATOM 292 CG ASP A 335 94.995 -5.838 4.769 1.00 1.19 C ATOM 293 OD1 ASP A 335 95.807 -6.748 4.766 1.00 1.61 O ATOM 294 OD2 ASP A 335 94.069 -5.752 5.559 1.00 1.96 O ATOM 0 H ASP A 335 97.031 -4.274 5.081 1.00 0.67 H new ATOM 0 HA ASP A 335 96.730 -5.794 2.633 1.00 0.65 H new ATOM 0 HB2 ASP A 335 95.005 -3.759 4.174 1.00 0.67 H new ATOM 0 HB3 ASP A 335 94.376 -4.845 2.951 1.00 0.67 H new ATOM 299 N ALA A 336 96.690 -2.528 2.286 1.00 0.60 N ATOM 300 CA ALA A 336 96.765 -1.482 1.225 1.00 0.62 C ATOM 301 C ALA A 336 98.086 -1.588 0.467 1.00 0.51 C ATOM 302 O ALA A 336 98.133 -1.429 -0.734 1.00 0.55 O ATOM 303 CB ALA A 336 96.668 -0.146 1.962 1.00 0.76 C ATOM 0 H ALA A 336 96.682 -2.177 3.243 1.00 0.60 H new ATOM 0 HA ALA A 336 95.970 -1.591 0.488 1.00 0.62 H new ATOM 0 HB1 ALA A 336 96.717 0.671 1.242 1.00 0.76 H new ATOM 0 HB2 ALA A 336 95.723 -0.097 2.503 1.00 0.76 H new ATOM 0 HB3 ALA A 336 97.495 -0.058 2.667 1.00 0.76 H new ATOM 309 N ALA A 337 99.151 -1.895 1.146 1.00 0.46 N ATOM 310 CA ALA A 337 100.454 -2.048 0.434 1.00 0.50 C ATOM 311 C ALA A 337 100.381 -3.225 -0.543 1.00 0.62 C ATOM 312 O ALA A 337 101.009 -3.221 -1.583 1.00 0.72 O ATOM 313 CB ALA A 337 101.485 -2.323 1.528 1.00 0.50 C ATOM 0 H ALA A 337 99.181 -2.046 2.154 1.00 0.46 H new ATOM 0 HA ALA A 337 100.711 -1.162 -0.147 1.00 0.50 H new ATOM 0 HB1 ALA A 337 102.470 -2.447 1.077 1.00 0.50 H new ATOM 0 HB2 ALA A 337 101.508 -1.486 2.225 1.00 0.50 H new ATOM 0 HB3 ALA A 337 101.214 -3.233 2.063 1.00 0.50 H new ATOM 319 N GLN A 338 99.644 -4.245 -0.200 1.00 0.71 N ATOM 320 CA GLN A 338 99.560 -5.439 -1.090 1.00 0.91 C ATOM 321 C GLN A 338 98.780 -5.126 -2.370 1.00 0.94 C ATOM 322 O GLN A 338 99.228 -5.411 -3.461 1.00 1.06 O ATOM 323 CB GLN A 338 98.827 -6.494 -0.260 1.00 1.03 C ATOM 324 CG GLN A 338 99.703 -7.021 0.900 1.00 1.03 C ATOM 325 CD GLN A 338 101.071 -6.310 0.986 1.00 0.94 C ATOM 326 OE1 GLN A 338 101.896 -6.449 0.111 1.00 1.72 O ATOM 327 NE2 GLN A 338 101.342 -5.554 2.014 1.00 0.69 N ATOM 0 H GLN A 338 99.096 -4.304 0.658 1.00 0.71 H new ATOM 0 HA GLN A 338 100.547 -5.773 -1.411 1.00 0.91 H new ATOM 0 HB2 GLN A 338 97.909 -6.066 0.143 1.00 1.03 H new ATOM 0 HB3 GLN A 338 98.536 -7.325 -0.903 1.00 1.03 H new ATOM 0 HG2 GLN A 338 99.170 -6.889 1.841 1.00 1.03 H new ATOM 0 HG3 GLN A 338 99.862 -8.092 0.772 1.00 1.03 H new ATOM 0 HE21 GLN A 338 100.651 -5.433 2.754 1.00 0.69 H new ATOM 0 HE22 GLN A 338 102.245 -5.084 2.077 1.00 0.69 H new ATOM 336 N LEU A 339 97.591 -4.603 -2.254 1.00 0.86 N ATOM 337 CA LEU A 339 96.786 -4.357 -3.488 1.00 0.90 C ATOM 338 C LEU A 339 97.392 -3.209 -4.301 1.00 0.84 C ATOM 339 O LEU A 339 97.437 -3.254 -5.515 1.00 1.00 O ATOM 340 CB LEU A 339 95.365 -4.013 -3.021 1.00 0.80 C ATOM 341 CG LEU A 339 95.395 -3.000 -1.877 1.00 1.01 C ATOM 342 CD1 LEU A 339 94.723 -1.705 -2.331 1.00 1.34 C ATOM 343 CD2 LEU A 339 94.625 -3.580 -0.686 1.00 1.58 C ATOM 0 H LEU A 339 97.146 -4.338 -1.375 1.00 0.86 H new ATOM 0 HA LEU A 339 96.777 -5.233 -4.137 1.00 0.90 H new ATOM 0 HB2 LEU A 339 94.792 -3.608 -3.855 1.00 0.80 H new ATOM 0 HB3 LEU A 339 94.856 -4.920 -2.695 1.00 0.80 H new ATOM 0 HG LEU A 339 96.426 -2.792 -1.589 1.00 1.01 H new ATOM 0 HD11 LEU A 339 94.743 -0.980 -1.517 1.00 1.34 H new ATOM 0 HD12 LEU A 339 95.257 -1.300 -3.191 1.00 1.34 H new ATOM 0 HD13 LEU A 339 93.689 -1.910 -2.610 1.00 1.34 H new ATOM 0 HD21 LEU A 339 94.639 -2.867 0.138 1.00 1.58 H new ATOM 0 HD22 LEU A 339 93.594 -3.775 -0.980 1.00 1.58 H new ATOM 0 HD23 LEU A 339 95.094 -4.511 -0.368 1.00 1.58 H new ATOM 355 N ALA A 340 97.909 -2.207 -3.645 1.00 0.74 N ATOM 356 CA ALA A 340 98.567 -1.093 -4.383 1.00 0.93 C ATOM 357 C ALA A 340 99.849 -1.589 -5.056 1.00 1.36 C ATOM 358 O ALA A 340 100.410 -0.929 -5.908 1.00 2.24 O ATOM 359 CB ALA A 340 98.897 -0.054 -3.309 1.00 0.82 C ATOM 0 H ALA A 340 97.904 -2.112 -2.629 1.00 0.74 H new ATOM 0 HA ALA A 340 97.932 -0.685 -5.169 1.00 0.93 H new ATOM 0 HB1 ALA A 340 99.386 0.804 -3.771 1.00 0.82 H new ATOM 0 HB2 ALA A 340 97.977 0.271 -2.823 1.00 0.82 H new ATOM 0 HB3 ALA A 340 99.563 -0.496 -2.568 1.00 0.82 H new ATOM 365 N SER A 341 100.299 -2.761 -4.702 1.00 1.07 N ATOM 366 CA SER A 341 101.526 -3.314 -5.350 1.00 1.44 C ATOM 367 C SER A 341 101.143 -4.268 -6.486 1.00 1.51 C ATOM 368 O SER A 341 101.937 -4.562 -7.355 1.00 2.65 O ATOM 369 CB SER A 341 102.269 -4.059 -4.238 1.00 2.84 C ATOM 370 OG SER A 341 101.507 -5.187 -3.839 1.00 3.56 O ATOM 0 H SER A 341 99.873 -3.360 -3.994 1.00 1.07 H new ATOM 0 HA SER A 341 102.145 -2.533 -5.792 1.00 1.44 H new ATOM 0 HB2 SER A 341 103.251 -4.375 -4.590 1.00 2.84 H new ATOM 0 HB3 SER A 341 102.433 -3.397 -3.388 1.00 2.84 H new ATOM 0 HG SER A 341 100.563 -5.038 -4.058 1.00 3.56 H new ATOM 376 N LEU A 342 99.926 -4.733 -6.500 1.00 1.19 N ATOM 377 CA LEU A 342 99.491 -5.642 -7.599 1.00 2.40 C ATOM 378 C LEU A 342 99.635 -4.940 -8.952 1.00 2.59 C ATOM 379 O LEU A 342 99.778 -5.574 -9.979 1.00 3.62 O ATOM 380 CB LEU A 342 98.020 -5.941 -7.316 1.00 3.39 C ATOM 381 CG LEU A 342 97.890 -6.666 -5.977 1.00 3.93 C ATOM 382 CD1 LEU A 342 96.446 -7.136 -5.791 1.00 4.36 C ATOM 383 CD2 LEU A 342 98.825 -7.878 -5.966 1.00 3.74 C ATOM 0 H LEU A 342 99.214 -4.524 -5.800 1.00 1.19 H new ATOM 0 HA LEU A 342 100.092 -6.550 -7.639 1.00 2.40 H new ATOM 0 HB2 LEU A 342 97.448 -5.013 -7.295 1.00 3.39 H new ATOM 0 HB3 LEU A 342 97.603 -6.555 -8.115 1.00 3.39 H new ATOM 0 HG LEU A 342 98.159 -5.989 -5.166 1.00 3.93 H new ATOM 0 HD11 LEU A 342 96.352 -7.653 -4.836 1.00 4.36 H new ATOM 0 HD12 LEU A 342 95.778 -6.274 -5.804 1.00 4.36 H new ATOM 0 HD13 LEU A 342 96.177 -7.816 -6.600 1.00 4.36 H new ATOM 0 HD21 LEU A 342 98.735 -8.398 -5.012 1.00 3.74 H new ATOM 0 HD22 LEU A 342 98.553 -8.555 -6.776 1.00 3.74 H new ATOM 0 HD23 LEU A 342 99.854 -7.545 -6.102 1.00 3.74 H new ATOM 395 N ALA A 343 99.547 -3.638 -8.964 1.00 2.04 N ATOM 396 CA ALA A 343 99.624 -2.894 -10.255 1.00 2.90 C ATOM 397 C ALA A 343 101.079 -2.585 -10.623 1.00 2.34 C ATOM 398 O ALA A 343 101.402 -2.386 -11.776 1.00 2.96 O ATOM 399 CB ALA A 343 98.840 -1.604 -10.014 1.00 3.81 C ATOM 0 H ALA A 343 99.425 -3.056 -8.135 1.00 2.04 H new ATOM 0 HA ALA A 343 99.216 -3.473 -11.084 1.00 2.90 H new ATOM 0 HB1 ALA A 343 98.849 -0.998 -10.920 1.00 3.81 H new ATOM 0 HB2 ALA A 343 97.811 -1.848 -9.751 1.00 3.81 H new ATOM 0 HB3 ALA A 343 99.301 -1.045 -9.199 1.00 3.81 H new ATOM 405 N ASP A 344 101.958 -2.526 -9.660 1.00 1.46 N ATOM 406 CA ASP A 344 103.380 -2.210 -9.983 1.00 1.77 C ATOM 407 C ASP A 344 104.054 -3.420 -10.637 1.00 1.92 C ATOM 408 O ASP A 344 103.848 -4.549 -10.238 1.00 1.99 O ATOM 409 CB ASP A 344 104.038 -1.871 -8.641 1.00 1.69 C ATOM 410 CG ASP A 344 104.327 -3.152 -7.855 1.00 2.00 C ATOM 411 OD1 ASP A 344 105.084 -3.971 -8.349 1.00 2.84 O ATOM 412 OD2 ASP A 344 103.794 -3.287 -6.766 1.00 1.89 O ATOM 0 H ASP A 344 101.757 -2.681 -8.672 1.00 1.46 H new ATOM 0 HA ASP A 344 103.469 -1.383 -10.688 1.00 1.77 H new ATOM 0 HB2 ASP A 344 104.965 -1.323 -8.810 1.00 1.69 H new ATOM 0 HB3 ASP A 344 103.384 -1.220 -8.061 1.00 1.69 H new ATOM 460 N GLU A 348 110.068 -5.587 -6.494 1.00 1.76 N ATOM 461 CA GLU A 348 109.841 -5.216 -5.068 1.00 1.64 C ATOM 462 C GLU A 348 108.343 -5.214 -4.754 1.00 1.41 C ATOM 463 O GLU A 348 107.923 -5.584 -3.677 1.00 1.31 O ATOM 464 CB GLU A 348 110.419 -3.807 -4.932 1.00 1.72 C ATOM 465 CG GLU A 348 111.929 -3.850 -5.174 1.00 2.14 C ATOM 466 CD GLU A 348 112.585 -4.764 -4.137 1.00 2.49 C ATOM 467 OE1 GLU A 348 111.957 -5.021 -3.123 1.00 3.25 O ATOM 468 OE2 GLU A 348 113.703 -5.189 -4.374 1.00 2.49 O ATOM 0 HA GLU A 348 110.308 -5.918 -4.378 1.00 1.64 H new ATOM 0 HB2 GLU A 348 109.944 -3.137 -5.648 1.00 1.72 H new ATOM 0 HB3 GLU A 348 110.210 -3.411 -3.938 1.00 1.72 H new ATOM 0 HG2 GLU A 348 112.137 -4.215 -6.180 1.00 2.14 H new ATOM 0 HG3 GLU A 348 112.348 -2.846 -5.107 1.00 2.14 H new ATOM 475 N GLY A 349 107.533 -4.805 -5.691 1.00 1.42 N ATOM 476 CA GLY A 349 106.063 -4.787 -5.450 1.00 1.30 C ATOM 477 C GLY A 349 105.577 -6.197 -5.112 1.00 1.23 C ATOM 478 O GLY A 349 104.682 -6.380 -4.311 1.00 1.23 O ATOM 0 H GLY A 349 107.826 -4.482 -6.613 1.00 1.42 H new ATOM 0 HA2 GLY A 349 105.827 -4.105 -4.633 1.00 1.30 H new ATOM 0 HA3 GLY A 349 105.545 -4.416 -6.334 1.00 1.30 H new ATOM 482 N ARG A 350 106.250 -7.199 -5.607 1.00 1.19 N ATOM 483 CA ARG A 350 105.915 -8.591 -5.189 1.00 1.15 C ATOM 484 C ARG A 350 106.470 -8.852 -3.794 1.00 1.06 C ATOM 485 O ARG A 350 105.845 -9.491 -2.974 1.00 0.94 O ATOM 486 CB ARG A 350 106.595 -9.490 -6.217 1.00 1.18 C ATOM 487 CG ARG A 350 106.299 -8.961 -7.617 1.00 1.81 C ATOM 488 CD ARG A 350 106.854 -9.932 -8.662 1.00 2.33 C ATOM 489 NE ARG A 350 106.687 -9.231 -9.965 1.00 2.77 N ATOM 490 CZ ARG A 350 107.205 -9.736 -11.054 1.00 3.16 C ATOM 491 NH1 ARG A 350 107.873 -10.857 -11.007 1.00 3.46 N ATOM 492 NH2 ARG A 350 107.055 -9.115 -12.193 1.00 3.62 N ATOM 0 H ARG A 350 107.013 -7.116 -6.279 1.00 1.19 H new ATOM 0 HA ARG A 350 104.841 -8.770 -5.149 1.00 1.15 H new ATOM 0 HB2 ARG A 350 107.671 -9.513 -6.043 1.00 1.18 H new ATOM 0 HB3 ARG A 350 106.234 -10.514 -6.118 1.00 1.18 H new ATOM 0 HG2 ARG A 350 105.224 -8.842 -7.752 1.00 1.81 H new ATOM 0 HG3 ARG A 350 106.748 -7.976 -7.747 1.00 1.81 H new ATOM 0 HD2 ARG A 350 107.902 -10.163 -8.469 1.00 2.33 H new ATOM 0 HD3 ARG A 350 106.312 -10.877 -8.650 1.00 2.33 H new ATOM 0 HE ARG A 350 106.167 -8.355 -10.008 1.00 2.77 H new ATOM 0 HH11 ARG A 350 107.992 -11.343 -10.118 1.00 3.46 H new ATOM 0 HH12 ARG A 350 108.275 -11.247 -11.859 1.00 3.46 H new ATOM 0 HH21 ARG A 350 106.535 -8.238 -12.231 1.00 3.62 H new ATOM 0 HH22 ARG A 350 107.458 -9.507 -13.044 1.00 3.62 H new ATOM 506 N SER A 351 107.615 -8.316 -3.501 1.00 1.15 N ATOM 507 CA SER A 351 108.176 -8.490 -2.132 1.00 1.10 C ATOM 508 C SER A 351 107.154 -8.025 -1.089 1.00 0.97 C ATOM 509 O SER A 351 106.900 -8.694 -0.111 1.00 0.87 O ATOM 510 CB SER A 351 109.419 -7.603 -2.102 1.00 1.25 C ATOM 511 OG SER A 351 110.260 -7.935 -3.200 1.00 2.40 O ATOM 0 H SER A 351 108.187 -7.767 -4.143 1.00 1.15 H new ATOM 0 HA SER A 351 108.414 -9.529 -1.905 1.00 1.10 H new ATOM 0 HB2 SER A 351 109.132 -6.553 -2.154 1.00 1.25 H new ATOM 0 HB3 SER A 351 109.956 -7.741 -1.163 1.00 1.25 H new ATOM 0 HG SER A 351 111.124 -7.485 -3.098 1.00 2.40 H new ATOM 517 N ILE A 352 106.540 -6.896 -1.311 1.00 1.00 N ATOM 518 CA ILE A 352 105.508 -6.403 -0.355 1.00 0.93 C ATOM 519 C ILE A 352 104.261 -7.305 -0.371 1.00 0.80 C ATOM 520 O ILE A 352 103.776 -7.715 0.667 1.00 0.70 O ATOM 521 CB ILE A 352 105.209 -4.984 -0.844 1.00 1.08 C ATOM 522 CG1 ILE A 352 106.262 -4.040 -0.263 1.00 1.16 C ATOM 523 CG2 ILE A 352 103.815 -4.538 -0.400 1.00 1.16 C ATOM 524 CD1 ILE A 352 106.184 -2.687 -0.963 1.00 1.39 C ATOM 0 H ILE A 352 106.709 -6.292 -2.115 1.00 1.00 H new ATOM 0 HA ILE A 352 105.843 -6.414 0.682 1.00 0.93 H new ATOM 0 HB ILE A 352 105.239 -4.964 -1.933 1.00 1.08 H new ATOM 0 HG12 ILE A 352 106.101 -3.916 0.808 1.00 1.16 H new ATOM 0 HG13 ILE A 352 107.257 -4.468 -0.388 1.00 1.16 H new ATOM 0 HG21 ILE A 352 103.625 -3.527 -0.759 1.00 1.16 H new ATOM 0 HG22 ILE A 352 103.068 -5.216 -0.812 1.00 1.16 H new ATOM 0 HG23 ILE A 352 103.758 -4.553 0.688 1.00 1.16 H new ATOM 0 HD11 ILE A 352 106.936 -2.018 -0.546 1.00 1.39 H new ATOM 0 HD12 ILE A 352 106.367 -2.818 -2.030 1.00 1.39 H new ATOM 0 HD13 ILE A 352 105.193 -2.257 -0.815 1.00 1.39 H new ATOM 536 N VAL A 353 103.754 -7.656 -1.527 1.00 0.86 N ATOM 537 CA VAL A 353 102.569 -8.572 -1.565 1.00 0.82 C ATOM 538 C VAL A 353 102.846 -9.833 -0.736 1.00 0.77 C ATOM 539 O VAL A 353 102.016 -10.279 0.034 1.00 0.77 O ATOM 540 CB VAL A 353 102.386 -8.935 -3.041 1.00 0.97 C ATOM 541 CG1 VAL A 353 101.430 -10.123 -3.158 1.00 1.18 C ATOM 542 CG2 VAL A 353 101.796 -7.739 -3.793 1.00 1.10 C ATOM 0 H VAL A 353 104.103 -7.353 -2.436 1.00 0.86 H new ATOM 0 HA VAL A 353 101.677 -8.104 -1.148 1.00 0.82 H new ATOM 0 HB VAL A 353 103.353 -9.197 -3.471 1.00 0.97 H new ATOM 0 HG11 VAL A 353 101.299 -10.382 -4.209 1.00 1.18 H new ATOM 0 HG12 VAL A 353 101.844 -10.977 -2.622 1.00 1.18 H new ATOM 0 HG13 VAL A 353 100.465 -9.857 -2.727 1.00 1.18 H new ATOM 0 HG21 VAL A 353 101.666 -7.998 -4.844 1.00 1.10 H new ATOM 0 HG22 VAL A 353 100.830 -7.478 -3.361 1.00 1.10 H new ATOM 0 HG23 VAL A 353 102.472 -6.888 -3.710 1.00 1.10 H new ATOM 552 N ILE A 354 104.074 -10.266 -0.716 1.00 0.79 N ATOM 553 CA ILE A 354 104.475 -11.330 0.251 1.00 0.84 C ATOM 554 C ILE A 354 104.399 -10.801 1.680 1.00 0.72 C ATOM 555 O ILE A 354 103.999 -11.497 2.587 1.00 0.77 O ATOM 556 CB ILE A 354 105.915 -11.657 -0.111 1.00 0.97 C ATOM 557 CG1 ILE A 354 105.975 -12.167 -1.553 1.00 1.21 C ATOM 558 CG2 ILE A 354 106.451 -12.726 0.842 1.00 1.11 C ATOM 559 CD1 ILE A 354 107.383 -11.961 -2.113 1.00 1.36 C ATOM 0 H ILE A 354 104.819 -9.931 -1.326 1.00 0.79 H new ATOM 0 HA ILE A 354 103.825 -12.203 0.199 1.00 0.84 H new ATOM 0 HB ILE A 354 106.527 -10.760 -0.022 1.00 0.97 H new ATOM 0 HG12 ILE A 354 105.711 -13.224 -1.587 1.00 1.21 H new ATOM 0 HG13 ILE A 354 105.247 -11.637 -2.167 1.00 1.21 H new ATOM 0 HG21 ILE A 354 107.483 -12.960 0.582 1.00 1.11 H new ATOM 0 HG22 ILE A 354 106.410 -12.354 1.866 1.00 1.11 H new ATOM 0 HG23 ILE A 354 105.842 -13.626 0.758 1.00 1.11 H new ATOM 0 HD11 ILE A 354 107.423 -12.325 -3.140 1.00 1.36 H new ATOM 0 HD12 ILE A 354 107.630 -10.900 -2.094 1.00 1.36 H new ATOM 0 HD13 ILE A 354 108.101 -12.511 -1.505 1.00 1.36 H new ATOM 571 N LEU A 355 104.893 -9.625 1.904 1.00 0.63 N ATOM 572 CA LEU A 355 104.975 -9.107 3.302 1.00 0.62 C ATOM 573 C LEU A 355 103.654 -9.322 4.041 1.00 0.55 C ATOM 574 O LEU A 355 103.619 -9.856 5.131 1.00 0.61 O ATOM 575 CB LEU A 355 105.213 -7.614 3.138 1.00 0.64 C ATOM 576 CG LEU A 355 105.331 -6.958 4.516 1.00 0.73 C ATOM 577 CD1 LEU A 355 106.150 -5.671 4.409 1.00 1.14 C ATOM 578 CD2 LEU A 355 103.933 -6.623 5.037 1.00 1.15 C ATOM 0 H LEU A 355 105.246 -8.994 1.185 1.00 0.63 H new ATOM 0 HA LEU A 355 105.753 -9.612 3.874 1.00 0.62 H new ATOM 0 HB2 LEU A 355 106.123 -7.442 2.563 1.00 0.64 H new ATOM 0 HB3 LEU A 355 104.393 -7.164 2.579 1.00 0.64 H new ATOM 0 HG LEU A 355 105.827 -7.646 5.201 1.00 0.73 H new ATOM 0 HD11 LEU A 355 106.231 -5.208 5.393 1.00 1.14 H new ATOM 0 HD12 LEU A 355 107.147 -5.904 4.035 1.00 1.14 H new ATOM 0 HD13 LEU A 355 105.657 -4.982 3.723 1.00 1.14 H new ATOM 0 HD21 LEU A 355 104.013 -6.156 6.018 1.00 1.15 H new ATOM 0 HD22 LEU A 355 103.442 -5.937 4.347 1.00 1.15 H new ATOM 0 HD23 LEU A 355 103.346 -7.538 5.118 1.00 1.15 H new ATOM 590 N ALA A 356 102.566 -8.901 3.469 1.00 0.52 N ATOM 591 CA ALA A 356 101.261 -9.077 4.164 1.00 0.54 C ATOM 592 C ALA A 356 100.915 -10.562 4.250 1.00 0.53 C ATOM 593 O ALA A 356 100.331 -11.024 5.210 1.00 0.57 O ATOM 594 CB ALA A 356 100.240 -8.333 3.303 1.00 0.61 C ATOM 0 H ALA A 356 102.520 -8.446 2.557 1.00 0.52 H new ATOM 0 HA ALA A 356 101.280 -8.692 5.184 1.00 0.54 H new ATOM 0 HB1 ALA A 356 99.252 -8.419 3.754 1.00 0.61 H new ATOM 0 HB2 ALA A 356 100.518 -7.281 3.236 1.00 0.61 H new ATOM 0 HB3 ALA A 356 100.222 -8.767 2.303 1.00 0.61 H new ATOM 755 N ARG A 365 94.252 -8.819 -4.127 1.00 1.36 N ATOM 756 CA ARG A 365 92.866 -8.478 -4.556 1.00 1.73 C ATOM 757 C ARG A 365 92.784 -8.387 -6.079 1.00 1.59 C ATOM 758 O ARG A 365 93.555 -7.695 -6.714 1.00 1.56 O ATOM 759 CB ARG A 365 92.578 -7.117 -3.921 1.00 1.83 C ATOM 760 CG ARG A 365 92.600 -7.251 -2.397 1.00 2.15 C ATOM 761 CD ARG A 365 92.210 -5.914 -1.761 1.00 2.41 C ATOM 762 NE ARG A 365 92.472 -6.090 -0.305 1.00 3.18 N ATOM 763 CZ ARG A 365 92.119 -5.161 0.543 1.00 3.60 C ATOM 764 NH1 ARG A 365 91.534 -4.072 0.121 1.00 4.16 N ATOM 765 NH2 ARG A 365 92.352 -5.322 1.817 1.00 3.72 N ATOM 0 HA ARG A 365 92.144 -9.234 -4.248 1.00 1.73 H new ATOM 0 HB2 ARG A 365 93.322 -6.388 -4.244 1.00 1.83 H new ATOM 0 HB3 ARG A 365 91.607 -6.748 -4.250 1.00 1.83 H new ATOM 0 HG2 ARG A 365 91.909 -8.032 -2.080 1.00 2.15 H new ATOM 0 HG3 ARG A 365 93.593 -7.549 -2.062 1.00 2.15 H new ATOM 0 HD2 ARG A 365 92.799 -5.094 -2.172 1.00 2.41 H new ATOM 0 HD3 ARG A 365 91.162 -5.678 -1.948 1.00 2.41 H new ATOM 0 HE ARG A 365 92.928 -6.938 0.031 1.00 3.18 H new ATOM 0 HH11 ARG A 365 91.351 -3.944 -0.874 1.00 4.16 H new ATOM 0 HH12 ARG A 365 91.260 -3.349 0.787 1.00 4.16 H new ATOM 0 HH21 ARG A 365 92.809 -6.172 2.149 1.00 3.72 H new ATOM 0 HH22 ARG A 365 92.077 -4.598 2.481 1.00 3.72 H new ATOM 779 N ASP A 366 91.805 -9.023 -6.662 1.00 1.70 N ATOM 780 CA ASP A 366 91.616 -8.909 -8.134 1.00 1.93 C ATOM 781 C ASP A 366 90.980 -7.560 -8.468 1.00 2.04 C ATOM 782 O ASP A 366 89.873 -7.265 -8.064 1.00 2.65 O ATOM 783 CB ASP A 366 90.677 -10.057 -8.502 1.00 2.62 C ATOM 784 CG ASP A 366 91.406 -11.390 -8.324 1.00 2.50 C ATOM 785 OD1 ASP A 366 92.612 -11.363 -8.143 1.00 2.50 O ATOM 786 OD2 ASP A 366 90.747 -12.415 -8.373 1.00 2.86 O ATOM 0 H ASP A 366 91.128 -9.616 -6.182 1.00 1.70 H new ATOM 0 HA ASP A 366 92.555 -8.966 -8.684 1.00 1.93 H new ATOM 0 HB2 ASP A 366 89.788 -10.030 -7.872 1.00 2.62 H new ATOM 0 HB3 ASP A 366 90.341 -9.949 -9.533 1.00 2.62 H new ATOM 791 N VAL A 367 91.690 -6.724 -9.169 1.00 1.75 N ATOM 792 CA VAL A 367 91.152 -5.375 -9.494 1.00 2.31 C ATOM 793 C VAL A 367 90.009 -5.479 -10.509 1.00 2.53 C ATOM 794 O VAL A 367 89.020 -4.781 -10.413 1.00 3.04 O ATOM 795 CB VAL A 367 92.340 -4.620 -10.089 1.00 2.28 C ATOM 796 CG1 VAL A 367 91.864 -3.302 -10.692 1.00 2.89 C ATOM 797 CG2 VAL A 367 93.366 -4.333 -8.989 1.00 2.52 C ATOM 0 H VAL A 367 92.623 -6.917 -9.533 1.00 1.75 H new ATOM 0 HA VAL A 367 90.740 -4.871 -8.620 1.00 2.31 H new ATOM 0 HB VAL A 367 92.799 -5.229 -10.868 1.00 2.28 H new ATOM 0 HG11 VAL A 367 92.714 -2.767 -11.115 1.00 2.89 H new ATOM 0 HG12 VAL A 367 91.135 -3.503 -11.477 1.00 2.89 H new ATOM 0 HG13 VAL A 367 91.402 -2.692 -9.915 1.00 2.89 H new ATOM 0 HG21 VAL A 367 94.213 -3.795 -9.413 1.00 2.52 H new ATOM 0 HG22 VAL A 367 92.904 -3.727 -8.210 1.00 2.52 H new ATOM 0 HG23 VAL A 367 93.712 -5.273 -8.560 1.00 2.52 H new ATOM 807 N GLN A 368 90.167 -6.288 -11.521 1.00 2.20 N ATOM 808 CA GLN A 368 89.121 -6.361 -12.584 1.00 2.40 C ATOM 809 C GLN A 368 87.899 -7.149 -12.101 1.00 2.11 C ATOM 810 O GLN A 368 86.794 -6.920 -12.550 1.00 2.30 O ATOM 811 CB GLN A 368 89.782 -7.068 -13.763 1.00 2.46 C ATOM 812 CG GLN A 368 88.845 -6.999 -14.970 1.00 3.09 C ATOM 813 CD GLN A 368 89.538 -7.601 -16.194 1.00 3.29 C ATOM 814 OE1 GLN A 368 90.712 -7.913 -16.150 1.00 3.32 O ATOM 815 NE2 GLN A 368 88.857 -7.780 -17.293 1.00 3.69 N ATOM 0 H GLN A 368 90.971 -6.900 -11.659 1.00 2.20 H new ATOM 0 HA GLN A 368 88.762 -5.368 -12.856 1.00 2.40 H new ATOM 0 HB2 GLN A 368 90.736 -6.596 -13.999 1.00 2.46 H new ATOM 0 HB3 GLN A 368 89.994 -8.107 -13.509 1.00 2.46 H new ATOM 0 HG2 GLN A 368 87.923 -7.541 -14.759 1.00 3.09 H new ATOM 0 HG3 GLN A 368 88.568 -5.964 -15.169 1.00 3.09 H new ATOM 0 HE21 GLN A 368 87.872 -7.519 -17.331 1.00 3.69 H new ATOM 0 HE22 GLN A 368 89.310 -8.181 -18.114 1.00 3.69 H new ATOM 824 N SER A 369 88.052 -7.944 -11.077 1.00 1.80 N ATOM 825 CA SER A 369 86.849 -8.571 -10.457 1.00 1.87 C ATOM 826 C SER A 369 86.107 -7.519 -9.636 1.00 1.79 C ATOM 827 O SER A 369 84.895 -7.534 -9.535 1.00 2.27 O ATOM 828 CB SER A 369 87.384 -9.688 -9.563 1.00 2.47 C ATOM 829 OG SER A 369 88.009 -9.115 -8.422 1.00 3.05 O ATOM 0 H SER A 369 88.945 -8.185 -10.647 1.00 1.80 H new ATOM 0 HA SER A 369 86.150 -8.965 -11.194 1.00 1.87 H new ATOM 0 HB2 SER A 369 86.570 -10.345 -9.255 1.00 2.47 H new ATOM 0 HB3 SER A 369 88.097 -10.301 -10.114 1.00 2.47 H new ATOM 0 HG SER A 369 88.606 -8.391 -8.705 1.00 3.05 H new ATOM 835 N LEU A 370 86.811 -6.516 -9.199 1.00 1.38 N ATOM 836 CA LEU A 370 86.141 -5.352 -8.560 1.00 1.39 C ATOM 837 C LEU A 370 85.835 -4.290 -9.619 1.00 1.12 C ATOM 838 O LEU A 370 85.471 -3.175 -9.300 1.00 1.30 O ATOM 839 CB LEU A 370 87.161 -4.824 -7.554 1.00 1.54 C ATOM 840 CG LEU A 370 87.612 -5.966 -6.642 1.00 1.39 C ATOM 841 CD1 LEU A 370 88.822 -5.517 -5.822 1.00 1.80 C ATOM 842 CD2 LEU A 370 86.469 -6.341 -5.696 1.00 2.14 C ATOM 0 H LEU A 370 87.827 -6.452 -9.257 1.00 1.38 H new ATOM 0 HA LEU A 370 85.197 -5.616 -8.084 1.00 1.39 H new ATOM 0 HB2 LEU A 370 88.019 -4.401 -8.077 1.00 1.54 H new ATOM 0 HB3 LEU A 370 86.722 -4.022 -6.961 1.00 1.54 H new ATOM 0 HG LEU A 370 87.884 -6.830 -7.248 1.00 1.39 H new ATOM 0 HD11 LEU A 370 89.143 -6.331 -5.172 1.00 1.80 H new ATOM 0 HD12 LEU A 370 89.636 -5.246 -6.494 1.00 1.80 H new ATOM 0 HD13 LEU A 370 88.550 -4.654 -5.215 1.00 1.80 H new ATOM 0 HD21 LEU A 370 86.788 -7.155 -5.045 1.00 2.14 H new ATOM 0 HD22 LEU A 370 86.199 -5.476 -5.090 1.00 2.14 H new ATOM 0 HD23 LEU A 370 85.604 -6.660 -6.278 1.00 2.14 H new ATOM 854 N HIS A 371 86.129 -4.576 -10.861 1.00 1.29 N ATOM 855 CA HIS A 371 86.015 -3.521 -11.906 1.00 1.13 C ATOM 856 C HIS A 371 86.906 -2.347 -11.515 1.00 1.00 C ATOM 857 O HIS A 371 86.659 -1.210 -11.863 1.00 1.35 O ATOM 858 CB HIS A 371 84.548 -3.107 -11.889 1.00 1.54 C ATOM 859 CG HIS A 371 84.265 -2.205 -13.058 1.00 1.50 C ATOM 860 ND1 HIS A 371 84.336 -2.650 -14.370 1.00 1.97 N ATOM 861 CD2 HIS A 371 83.910 -0.881 -13.131 1.00 1.80 C ATOM 862 CE1 HIS A 371 84.029 -1.611 -15.168 1.00 2.10 C ATOM 863 NE2 HIS A 371 83.761 -0.507 -14.464 1.00 1.80 N ATOM 0 H HIS A 371 86.441 -5.489 -11.193 1.00 1.29 H new ATOM 0 HA HIS A 371 86.323 -3.861 -12.895 1.00 1.13 H new ATOM 0 HB2 HIS A 371 83.910 -3.990 -11.935 1.00 1.54 H new ATOM 0 HB3 HIS A 371 84.315 -2.594 -10.956 1.00 1.54 H new ATOM 0 HD2 HIS A 371 83.768 -0.228 -12.283 1.00 1.80 H new ATOM 0 HE1 HIS A 371 84.002 -1.663 -16.246 1.00 2.10 H new ATOM 0 HE2 HIS A 371 83.503 0.411 -14.825 1.00 1.80 H new ATOM 871 N ALA A 372 87.939 -2.632 -10.782 1.00 0.75 N ATOM 872 CA ALA A 372 88.871 -1.563 -10.335 1.00 0.94 C ATOM 873 C ALA A 372 89.975 -1.348 -11.376 1.00 0.90 C ATOM 874 O ALA A 372 89.862 -1.756 -12.516 1.00 1.04 O ATOM 875 CB ALA A 372 89.461 -2.082 -9.024 1.00 1.12 C ATOM 0 H ALA A 372 88.182 -3.572 -10.468 1.00 0.75 H new ATOM 0 HA ALA A 372 88.370 -0.604 -10.207 1.00 0.94 H new ATOM 0 HB1 ALA A 372 90.163 -1.349 -8.626 1.00 1.12 H new ATOM 0 HB2 ALA A 372 88.659 -2.246 -8.304 1.00 1.12 H new ATOM 0 HB3 ALA A 372 89.982 -3.022 -9.206 1.00 1.12 H new ATOM 881 N THR A 373 91.018 -0.665 -10.996 1.00 0.85 N ATOM 882 CA THR A 373 92.122 -0.356 -11.952 1.00 0.95 C ATOM 883 C THR A 373 93.484 -0.514 -11.272 1.00 0.93 C ATOM 884 O THR A 373 93.678 -0.088 -10.156 1.00 0.95 O ATOM 885 CB THR A 373 91.906 1.103 -12.340 1.00 1.32 C ATOM 886 OG1 THR A 373 90.702 1.228 -13.082 1.00 2.11 O ATOM 887 CG2 THR A 373 93.087 1.597 -13.175 1.00 1.90 C ATOM 0 H THR A 373 91.156 -0.303 -10.053 1.00 0.85 H new ATOM 0 HA THR A 373 92.113 -1.026 -12.812 1.00 0.95 H new ATOM 0 HB THR A 373 91.832 1.708 -11.436 1.00 1.32 H new ATOM 0 HG1 THR A 373 90.565 2.167 -13.328 1.00 2.11 H new ATOM 0 HG21 THR A 373 92.928 2.640 -13.450 1.00 1.90 H new ATOM 0 HG22 THR A 373 94.005 1.511 -12.594 1.00 1.90 H new ATOM 0 HG23 THR A 373 93.172 0.993 -14.078 1.00 1.90 H new ATOM 895 N PHE A 374 94.463 -0.989 -11.985 1.00 1.01 N ATOM 896 CA PHE A 374 95.849 -1.014 -11.426 1.00 1.25 C ATOM 897 C PHE A 374 96.562 0.307 -11.755 1.00 1.63 C ATOM 898 O PHE A 374 96.447 0.821 -12.850 1.00 1.61 O ATOM 899 CB PHE A 374 96.557 -2.164 -12.151 1.00 1.33 C ATOM 900 CG PHE A 374 96.004 -3.498 -11.709 1.00 1.63 C ATOM 901 CD1 PHE A 374 96.311 -4.001 -10.436 1.00 1.41 C ATOM 902 CD2 PHE A 374 95.198 -4.242 -12.580 1.00 2.53 C ATOM 903 CE1 PHE A 374 95.808 -5.247 -10.036 1.00 1.89 C ATOM 904 CE2 PHE A 374 94.697 -5.488 -12.181 1.00 3.09 C ATOM 905 CZ PHE A 374 95.002 -5.991 -10.908 1.00 2.72 C ATOM 0 H PHE A 374 94.368 -1.362 -12.930 1.00 1.01 H new ATOM 0 HA PHE A 374 95.850 -1.143 -10.344 1.00 1.25 H new ATOM 0 HB2 PHE A 374 96.432 -2.052 -13.228 1.00 1.33 H new ATOM 0 HB3 PHE A 374 97.627 -2.124 -11.948 1.00 1.33 H new ATOM 0 HD1 PHE A 374 96.934 -3.429 -9.765 1.00 1.41 H new ATOM 0 HD2 PHE A 374 94.962 -3.855 -13.560 1.00 2.53 H new ATOM 0 HE1 PHE A 374 96.042 -5.634 -9.055 1.00 1.89 H new ATOM 0 HE2 PHE A 374 94.076 -6.061 -12.854 1.00 3.09 H new ATOM 0 HZ PHE A 374 94.616 -6.951 -10.600 1.00 2.72 H new ATOM 915 N VAL A 375 97.382 0.800 -10.866 1.00 2.14 N ATOM 916 CA VAL A 375 98.192 2.011 -11.194 1.00 2.61 C ATOM 917 C VAL A 375 99.674 1.635 -11.307 1.00 2.22 C ATOM 918 O VAL A 375 100.274 1.203 -10.343 1.00 1.65 O ATOM 919 CB VAL A 375 97.976 2.970 -10.025 1.00 3.32 C ATOM 920 CG1 VAL A 375 98.567 4.337 -10.373 1.00 4.00 C ATOM 921 CG2 VAL A 375 96.478 3.115 -9.753 1.00 3.65 C ATOM 0 H VAL A 375 97.526 0.419 -9.931 1.00 2.14 H new ATOM 0 HA VAL A 375 97.897 2.457 -12.144 1.00 2.61 H new ATOM 0 HB VAL A 375 98.469 2.576 -9.136 1.00 3.32 H new ATOM 0 HG11 VAL A 375 98.414 5.023 -9.540 1.00 4.00 H new ATOM 0 HG12 VAL A 375 99.635 4.233 -10.566 1.00 4.00 H new ATOM 0 HG13 VAL A 375 98.074 4.731 -11.262 1.00 4.00 H new ATOM 0 HG21 VAL A 375 96.324 3.799 -8.919 1.00 3.65 H new ATOM 0 HG22 VAL A 375 95.983 3.508 -10.641 1.00 3.65 H new ATOM 0 HG23 VAL A 375 96.057 2.141 -9.505 1.00 3.65 H new ATOM 931 N PRO A 376 100.194 1.746 -12.502 1.00 2.87 N ATOM 932 CA PRO A 376 101.594 1.330 -12.774 1.00 2.67 C ATOM 933 C PRO A 376 102.579 2.039 -11.836 1.00 2.48 C ATOM 934 O PRO A 376 102.343 3.140 -11.380 1.00 3.24 O ATOM 935 CB PRO A 376 101.837 1.749 -14.228 1.00 3.84 C ATOM 936 CG PRO A 376 100.678 2.619 -14.607 1.00 4.63 C ATOM 937 CD PRO A 376 99.535 2.263 -13.700 1.00 4.03 C ATOM 0 HA PRO A 376 101.743 0.262 -12.612 1.00 2.67 H new ATOM 0 HB2 PRO A 376 102.779 2.289 -14.326 1.00 3.84 H new ATOM 0 HB3 PRO A 376 101.900 0.878 -14.880 1.00 3.84 H new ATOM 0 HG2 PRO A 376 100.938 3.672 -14.502 1.00 4.63 H new ATOM 0 HG3 PRO A 376 100.404 2.461 -15.650 1.00 4.63 H new ATOM 0 HD2 PRO A 376 98.917 3.132 -13.474 1.00 4.03 H new ATOM 0 HD3 PRO A 376 98.882 1.516 -14.152 1.00 4.03 H new ATOM 945 N PHE A 377 103.701 1.419 -11.584 1.00 2.13 N ATOM 946 CA PHE A 377 104.744 2.045 -10.716 1.00 3.07 C ATOM 947 C PHE A 377 105.819 2.702 -11.586 1.00 3.61 C ATOM 948 O PHE A 377 106.483 2.050 -12.368 1.00 4.10 O ATOM 949 CB PHE A 377 105.332 0.864 -9.931 1.00 3.15 C ATOM 950 CG PHE A 377 106.449 1.330 -9.017 1.00 3.91 C ATOM 951 CD1 PHE A 377 106.673 2.698 -8.803 1.00 4.01 C ATOM 952 CD2 PHE A 377 107.272 0.381 -8.390 1.00 4.73 C ATOM 953 CE1 PHE A 377 107.714 3.117 -7.965 1.00 4.92 C ATOM 954 CE2 PHE A 377 108.315 0.802 -7.554 1.00 5.70 C ATOM 955 CZ PHE A 377 108.536 2.169 -7.341 1.00 5.79 C ATOM 0 H PHE A 377 103.943 0.496 -11.946 1.00 2.13 H new ATOM 0 HA PHE A 377 104.347 2.822 -10.063 1.00 3.07 H new ATOM 0 HB2 PHE A 377 104.549 0.387 -9.342 1.00 3.15 H new ATOM 0 HB3 PHE A 377 105.712 0.113 -10.624 1.00 3.15 H new ATOM 0 HD1 PHE A 377 106.042 3.430 -9.285 1.00 4.01 H new ATOM 0 HD2 PHE A 377 107.101 -0.673 -8.552 1.00 4.73 H new ATOM 0 HE1 PHE A 377 107.883 4.171 -7.800 1.00 4.92 H new ATOM 0 HE2 PHE A 377 108.949 0.072 -7.073 1.00 5.70 H new ATOM 0 HZ PHE A 377 109.340 2.492 -6.696 1.00 5.79 H new ATOM 965 N THR A 378 106.039 3.975 -11.410 1.00 3.85 N ATOM 966 CA THR A 378 107.124 4.655 -12.174 1.00 4.47 C ATOM 967 C THR A 378 108.260 5.042 -11.228 1.00 4.28 C ATOM 968 O THR A 378 108.031 5.452 -10.106 1.00 3.71 O ATOM 969 CB THR A 378 106.470 5.903 -12.768 1.00 4.59 C ATOM 970 OG1 THR A 378 106.196 6.832 -11.729 1.00 4.26 O ATOM 971 CG2 THR A 378 105.165 5.517 -13.467 1.00 5.29 C ATOM 0 H THR A 378 105.516 4.574 -10.771 1.00 3.85 H new ATOM 0 HA THR A 378 107.553 4.017 -12.947 1.00 4.47 H new ATOM 0 HB THR A 378 107.146 6.356 -13.493 1.00 4.59 H new ATOM 0 HG1 THR A 378 105.778 7.633 -12.108 1.00 4.26 H new ATOM 0 HG21 THR A 378 104.701 6.408 -13.889 1.00 5.29 H new ATOM 0 HG22 THR A 378 105.376 4.805 -14.265 1.00 5.29 H new ATOM 0 HG23 THR A 378 104.486 5.062 -12.745 1.00 5.29 H new ATOM 979 N ALA A 379 109.481 4.885 -11.662 1.00 5.01 N ATOM 980 CA ALA A 379 110.637 5.210 -10.779 1.00 5.10 C ATOM 981 C ALA A 379 110.815 6.726 -10.667 1.00 5.05 C ATOM 982 O ALA A 379 111.310 7.229 -9.678 1.00 5.37 O ATOM 983 CB ALA A 379 111.848 4.579 -11.467 1.00 6.13 C ATOM 0 H ALA A 379 109.728 4.545 -12.591 1.00 5.01 H new ATOM 0 HA ALA A 379 110.498 4.834 -9.765 1.00 5.10 H new ATOM 0 HB1 ALA A 379 112.744 4.774 -10.877 1.00 6.13 H new ATOM 0 HB2 ALA A 379 111.698 3.503 -11.554 1.00 6.13 H new ATOM 0 HB3 ALA A 379 111.967 5.010 -12.461 1.00 6.13 H new ATOM 989 N GLN A 380 110.476 7.454 -11.697 1.00 4.87 N ATOM 990 CA GLN A 380 110.698 8.930 -11.664 1.00 4.93 C ATOM 991 C GLN A 380 109.947 9.546 -10.484 1.00 4.05 C ATOM 992 O GLN A 380 110.509 10.272 -9.687 1.00 3.84 O ATOM 993 CB GLN A 380 110.134 9.445 -12.989 1.00 5.65 C ATOM 994 CG GLN A 380 110.932 8.850 -14.150 1.00 6.07 C ATOM 995 CD GLN A 380 110.432 9.443 -15.469 1.00 7.03 C ATOM 996 OE1 GLN A 380 110.786 10.550 -15.824 1.00 7.74 O ATOM 997 NE2 GLN A 380 109.619 8.748 -16.215 1.00 7.22 N ATOM 0 H GLN A 380 110.058 7.094 -12.555 1.00 4.87 H new ATOM 0 HA GLN A 380 111.750 9.189 -11.543 1.00 4.93 H new ATOM 0 HB2 GLN A 380 109.083 9.172 -13.079 1.00 5.65 H new ATOM 0 HB3 GLN A 380 110.185 10.533 -13.019 1.00 5.65 H new ATOM 0 HG2 GLN A 380 111.993 9.063 -14.022 1.00 6.07 H new ATOM 0 HG3 GLN A 380 110.823 7.765 -14.162 1.00 6.07 H new ATOM 0 HE21 GLN A 380 109.322 7.819 -15.917 1.00 7.22 H new ATOM 0 HE22 GLN A 380 109.280 9.134 -17.096 1.00 7.22 H new ATOM 1006 N SER A 381 108.711 9.172 -10.300 1.00 3.64 N ATOM 1007 CA SER A 381 107.963 9.637 -9.098 1.00 3.06 C ATOM 1008 C SER A 381 108.123 8.621 -7.968 1.00 2.42 C ATOM 1009 O SER A 381 107.749 8.869 -6.839 1.00 3.00 O ATOM 1010 CB SER A 381 106.505 9.721 -9.547 1.00 3.49 C ATOM 1011 OG SER A 381 105.951 8.413 -9.591 1.00 3.82 O ATOM 0 H SER A 381 108.187 8.565 -10.930 1.00 3.64 H new ATOM 0 HA SER A 381 108.324 10.595 -8.723 1.00 3.06 H new ATOM 0 HB2 SER A 381 105.936 10.346 -8.859 1.00 3.49 H new ATOM 0 HB3 SER A 381 106.441 10.189 -10.530 1.00 3.49 H new ATOM 0 HG SER A 381 106.388 7.896 -10.300 1.00 3.82 H new ATOM 1017 N ARG A 382 108.660 7.470 -8.269 1.00 1.65 N ATOM 1018 CA ARG A 382 108.823 6.427 -7.218 1.00 1.74 C ATOM 1019 C ARG A 382 107.471 6.122 -6.575 1.00 1.57 C ATOM 1020 O ARG A 382 107.321 6.191 -5.371 1.00 2.08 O ATOM 1021 CB ARG A 382 109.770 7.046 -6.188 1.00 2.53 C ATOM 1022 CG ARG A 382 111.076 7.452 -6.870 1.00 2.69 C ATOM 1023 CD ARG A 382 112.080 7.919 -5.814 1.00 2.89 C ATOM 1024 NE ARG A 382 113.216 8.491 -6.589 1.00 3.36 N ATOM 1025 CZ ARG A 382 114.345 8.768 -5.992 1.00 3.67 C ATOM 1026 NH1 ARG A 382 114.486 8.545 -4.712 1.00 3.72 N ATOM 1027 NH2 ARG A 382 115.336 9.270 -6.677 1.00 4.25 N ATOM 0 H ARG A 382 108.993 7.207 -9.197 1.00 1.65 H new ATOM 0 HA ARG A 382 109.211 5.491 -7.620 1.00 1.74 H new ATOM 0 HB2 ARG A 382 109.303 7.916 -5.727 1.00 2.53 H new ATOM 0 HB3 ARG A 382 109.972 6.332 -5.390 1.00 2.53 H new ATOM 0 HG2 ARG A 382 111.484 6.609 -7.428 1.00 2.69 H new ATOM 0 HG3 ARG A 382 110.890 8.250 -7.589 1.00 2.69 H new ATOM 0 HD2 ARG A 382 111.639 8.664 -5.152 1.00 2.89 H new ATOM 0 HD3 ARG A 382 112.408 7.090 -5.187 1.00 2.89 H new ATOM 0 HE ARG A 382 113.112 8.667 -7.588 1.00 3.36 H new ATOM 0 HH11 ARG A 382 113.713 8.153 -4.174 1.00 3.72 H new ATOM 0 HH12 ARG A 382 115.369 8.763 -4.251 1.00 3.72 H new ATOM 0 HH21 ARG A 382 115.228 9.445 -7.676 1.00 4.25 H new ATOM 0 HH22 ARG A 382 116.218 9.487 -6.213 1.00 4.25 H new ATOM 1041 N MET A 383 106.477 5.798 -7.359 1.00 1.27 N ATOM 1042 CA MET A 383 105.146 5.511 -6.761 1.00 1.19 C ATOM 1043 C MET A 383 104.348 4.534 -7.618 1.00 1.07 C ATOM 1044 O MET A 383 104.357 4.589 -8.832 1.00 1.14 O ATOM 1045 CB MET A 383 104.425 6.856 -6.690 1.00 1.32 C ATOM 1046 CG MET A 383 105.068 7.727 -5.611 1.00 1.51 C ATOM 1047 SD MET A 383 104.024 9.174 -5.311 1.00 2.09 S ATOM 1048 CE MET A 383 103.802 9.646 -7.042 1.00 1.57 C ATOM 0 H MET A 383 106.530 5.721 -8.375 1.00 1.27 H new ATOM 0 HA MET A 383 105.253 5.048 -5.780 1.00 1.19 H new ATOM 0 HB2 MET A 383 104.476 7.359 -7.656 1.00 1.32 H new ATOM 0 HB3 MET A 383 103.369 6.703 -6.466 1.00 1.32 H new ATOM 0 HG2 MET A 383 105.190 7.155 -4.691 1.00 1.51 H new ATOM 0 HG3 MET A 383 106.063 8.041 -5.926 1.00 1.51 H new ATOM 0 HE1 MET A 383 103.637 10.721 -7.108 1.00 1.57 H new ATOM 0 HE2 MET A 383 104.694 9.381 -7.609 1.00 1.57 H new ATOM 0 HE3 MET A 383 102.941 9.121 -7.455 1.00 1.57 H new ATOM 1058 N SER A 384 103.537 3.760 -6.970 1.00 0.97 N ATOM 1059 CA SER A 384 102.568 2.886 -7.674 1.00 1.02 C ATOM 1060 C SER A 384 101.311 2.807 -6.817 1.00 0.93 C ATOM 1061 O SER A 384 101.295 3.289 -5.707 1.00 0.83 O ATOM 1062 CB SER A 384 103.249 1.523 -7.758 1.00 1.23 C ATOM 1063 OG SER A 384 103.124 0.859 -6.508 1.00 1.18 O ATOM 0 H SER A 384 103.503 3.694 -5.953 1.00 0.97 H new ATOM 0 HA SER A 384 102.291 3.245 -8.665 1.00 1.02 H new ATOM 0 HB2 SER A 384 102.795 0.925 -8.548 1.00 1.23 H new ATOM 0 HB3 SER A 384 104.301 1.644 -8.015 1.00 1.23 H new ATOM 0 HG SER A 384 102.272 0.375 -6.478 1.00 1.18 H new ATOM 1069 N GLY A 385 100.252 2.241 -7.302 1.00 1.02 N ATOM 1070 CA GLY A 385 99.025 2.197 -6.465 1.00 1.00 C ATOM 1071 C GLY A 385 97.920 1.450 -7.185 1.00 0.95 C ATOM 1072 O GLY A 385 98.142 0.725 -8.133 1.00 1.13 O ATOM 0 H GLY A 385 100.178 1.813 -8.225 1.00 1.02 H new ATOM 0 HA2 GLY A 385 99.243 1.709 -5.515 1.00 1.00 H new ATOM 0 HA3 GLY A 385 98.697 3.211 -6.235 1.00 1.00 H new ATOM 1076 N ILE A 386 96.729 1.612 -6.715 1.00 0.80 N ATOM 1077 CA ILE A 386 95.576 0.914 -7.320 1.00 0.78 C ATOM 1078 C ILE A 386 94.321 1.750 -7.107 1.00 0.77 C ATOM 1079 O ILE A 386 94.172 2.412 -6.103 1.00 0.80 O ATOM 1080 CB ILE A 386 95.486 -0.406 -6.564 1.00 0.81 C ATOM 1081 CG1 ILE A 386 94.147 -1.074 -6.843 1.00 0.86 C ATOM 1082 CG2 ILE A 386 95.609 -0.157 -5.061 1.00 0.84 C ATOM 1083 CD1 ILE A 386 94.109 -2.392 -6.084 1.00 1.26 C ATOM 0 H ILE A 386 96.499 2.210 -5.921 1.00 0.80 H new ATOM 0 HA ILE A 386 95.681 0.755 -8.393 1.00 0.78 H new ATOM 0 HB ILE A 386 96.297 -1.053 -6.897 1.00 0.81 H new ATOM 0 HG12 ILE A 386 93.327 -0.429 -6.527 1.00 0.86 H new ATOM 0 HG13 ILE A 386 94.023 -1.247 -7.912 1.00 0.86 H new ATOM 0 HG21 ILE A 386 95.544 -1.106 -4.528 1.00 0.84 H new ATOM 0 HG22 ILE A 386 96.569 0.314 -4.847 1.00 0.84 H new ATOM 0 HG23 ILE A 386 94.802 0.499 -4.734 1.00 0.84 H new ATOM 0 HD11 ILE A 386 93.157 -2.891 -6.268 1.00 1.26 H new ATOM 0 HD12 ILE A 386 94.925 -3.031 -6.423 1.00 1.26 H new ATOM 0 HD13 ILE A 386 94.218 -2.200 -5.016 1.00 1.26 H new ATOM 1095 N ASN A 387 93.390 1.671 -7.999 1.00 0.78 N ATOM 1096 CA ASN A 387 92.113 2.398 -7.796 1.00 0.83 C ATOM 1097 C ASN A 387 90.975 1.386 -7.790 1.00 0.92 C ATOM 1098 O ASN A 387 90.979 0.448 -8.553 1.00 0.86 O ATOM 1099 CB ASN A 387 91.980 3.337 -8.998 1.00 0.91 C ATOM 1100 CG ASN A 387 93.325 4.003 -9.285 1.00 1.31 C ATOM 1101 OD1 ASN A 387 94.133 4.261 -8.296 1.00 2.04 O flip ATOM 1102 ND2 ASN A 387 93.646 4.288 -10.422 1.00 1.81 N flip ATOM 0 H ASN A 387 93.454 1.134 -8.864 1.00 0.78 H new ATOM 0 HA ASN A 387 92.086 2.951 -6.857 1.00 0.83 H new ATOM 0 HB2 ASN A 387 91.646 2.778 -9.872 1.00 0.91 H new ATOM 0 HB3 ASN A 387 91.224 4.096 -8.797 1.00 0.91 H new ATOM 0 HD21 ASN A 387 93.014 4.086 -11.196 1.00 1.81 H new ATOM 0 HD22 ASN A 387 94.548 4.729 -10.602 1.00 1.81 H new ATOM 1109 N ILE A 388 89.974 1.590 -6.999 1.00 1.18 N ATOM 1110 CA ILE A 388 88.822 0.651 -7.047 1.00 1.31 C ATOM 1111 C ILE A 388 87.520 1.404 -6.810 1.00 1.70 C ATOM 1112 O ILE A 388 87.521 2.569 -6.464 1.00 1.89 O ATOM 1113 CB ILE A 388 89.084 -0.356 -5.934 1.00 1.24 C ATOM 1114 CG1 ILE A 388 87.945 -1.373 -5.886 1.00 1.66 C ATOM 1115 CG2 ILE A 388 89.166 0.381 -4.604 1.00 1.50 C ATOM 1116 CD1 ILE A 388 88.485 -2.709 -5.382 1.00 2.11 C ATOM 0 H ILE A 388 89.897 2.354 -6.327 1.00 1.18 H new ATOM 0 HA ILE A 388 88.725 0.160 -8.016 1.00 1.31 H new ATOM 0 HB ILE A 388 90.023 -0.877 -6.123 1.00 1.24 H new ATOM 0 HG12 ILE A 388 87.151 -1.017 -5.229 1.00 1.66 H new ATOM 0 HG13 ILE A 388 87.508 -1.494 -6.877 1.00 1.66 H new ATOM 0 HG21 ILE A 388 89.353 -0.334 -3.803 1.00 1.50 H new ATOM 0 HG22 ILE A 388 89.978 1.107 -4.640 1.00 1.50 H new ATOM 0 HG23 ILE A 388 88.225 0.898 -4.416 1.00 1.50 H new ATOM 0 HD11 ILE A 388 87.676 -3.438 -5.346 1.00 2.11 H new ATOM 0 HD12 ILE A 388 89.264 -3.064 -6.057 1.00 2.11 H new ATOM 0 HD13 ILE A 388 88.901 -2.580 -4.383 1.00 2.11 H new ATOM 1128 N ASP A 389 86.418 0.792 -7.131 1.00 1.97 N ATOM 1129 CA ASP A 389 85.114 1.516 -7.099 1.00 2.37 C ATOM 1130 C ASP A 389 84.714 2.003 -5.688 1.00 2.14 C ATOM 1131 O ASP A 389 83.651 2.567 -5.518 1.00 2.92 O ATOM 1132 CB ASP A 389 84.115 0.472 -7.585 1.00 2.65 C ATOM 1133 CG ASP A 389 84.313 0.230 -9.082 1.00 3.31 C ATOM 1134 OD1 ASP A 389 85.055 0.984 -9.690 1.00 3.85 O ATOM 1135 OD2 ASP A 389 83.719 -0.703 -9.596 1.00 3.63 O ATOM 0 H ASP A 389 86.361 -0.186 -7.417 1.00 1.97 H new ATOM 0 HA ASP A 389 85.156 2.421 -7.705 1.00 2.37 H new ATOM 0 HB2 ASP A 389 84.250 -0.459 -7.035 1.00 2.65 H new ATOM 0 HB3 ASP A 389 83.097 0.811 -7.393 1.00 2.65 H new ATOM 1140 N ASN A 390 85.567 1.900 -4.702 1.00 1.20 N ATOM 1141 CA ASN A 390 85.218 2.484 -3.372 1.00 1.12 C ATOM 1142 C ASN A 390 86.464 3.038 -2.658 1.00 0.97 C ATOM 1143 O ASN A 390 86.401 3.401 -1.499 1.00 1.15 O ATOM 1144 CB ASN A 390 84.624 1.321 -2.578 1.00 1.13 C ATOM 1145 CG ASN A 390 84.100 1.834 -1.235 1.00 1.53 C ATOM 1146 OD1 ASN A 390 84.701 1.599 -0.206 1.00 2.33 O ATOM 1147 ND2 ASN A 390 82.996 2.530 -1.203 1.00 1.89 N ATOM 0 H ASN A 390 86.478 1.444 -4.757 1.00 1.20 H new ATOM 0 HA ASN A 390 84.526 3.321 -3.470 1.00 1.12 H new ATOM 0 HB2 ASN A 390 83.815 0.857 -3.143 1.00 1.13 H new ATOM 0 HB3 ASN A 390 85.381 0.553 -2.416 1.00 1.13 H new ATOM 0 HD21 ASN A 390 82.637 2.877 -0.313 1.00 1.89 H new ATOM 0 HD22 ASN A 390 82.492 2.727 -2.068 1.00 1.89 H new ATOM 1154 N ARG A 391 87.616 3.001 -3.282 1.00 0.83 N ATOM 1155 CA ARG A 391 88.858 3.406 -2.560 1.00 0.73 C ATOM 1156 C ARG A 391 89.951 3.826 -3.545 1.00 0.74 C ATOM 1157 O ARG A 391 90.038 3.308 -4.638 1.00 1.10 O ATOM 1158 CB ARG A 391 89.299 2.157 -1.792 1.00 0.94 C ATOM 1159 CG ARG A 391 88.276 1.826 -0.703 1.00 1.05 C ATOM 1160 CD ARG A 391 88.827 0.711 0.191 1.00 1.30 C ATOM 1161 NE ARG A 391 87.692 0.336 1.081 1.00 1.92 N ATOM 1162 CZ ARG A 391 87.914 -0.321 2.188 1.00 2.13 C ATOM 1163 NH1 ARG A 391 89.132 -0.656 2.522 1.00 2.15 N ATOM 1164 NH2 ARG A 391 86.916 -0.646 2.962 1.00 2.69 N ATOM 0 H ARG A 391 87.748 2.711 -4.251 1.00 0.83 H new ATOM 0 HA ARG A 391 88.680 4.258 -1.904 1.00 0.73 H new ATOM 0 HB2 ARG A 391 89.399 1.315 -2.477 1.00 0.94 H new ATOM 0 HB3 ARG A 391 90.279 2.322 -1.344 1.00 0.94 H new ATOM 0 HG2 ARG A 391 88.063 2.713 -0.107 1.00 1.05 H new ATOM 0 HG3 ARG A 391 87.335 1.513 -1.156 1.00 1.05 H new ATOM 0 HD2 ARG A 391 89.163 -0.140 -0.401 1.00 1.30 H new ATOM 0 HD3 ARG A 391 89.685 1.055 0.769 1.00 1.30 H new ATOM 0 HE ARG A 391 86.739 0.593 0.825 1.00 1.92 H new ATOM 0 HH11 ARG A 391 89.914 -0.404 1.917 1.00 2.15 H new ATOM 0 HH12 ARG A 391 89.301 -1.169 3.387 1.00 2.15 H new ATOM 0 HH21 ARG A 391 85.964 -0.387 2.703 1.00 2.69 H new ATOM 0 HH22 ARG A 391 87.087 -1.159 3.827 1.00 2.69 H new ATOM 1178 N MET A 392 90.918 4.563 -3.075 1.00 0.48 N ATOM 1179 CA MET A 392 92.151 4.774 -3.887 1.00 0.51 C ATOM 1180 C MET A 392 93.381 4.478 -3.021 1.00 0.48 C ATOM 1181 O MET A 392 93.422 4.826 -1.857 1.00 0.52 O ATOM 1182 CB MET A 392 92.116 6.246 -4.298 1.00 0.59 C ATOM 1183 CG MET A 392 90.891 6.502 -5.178 1.00 1.14 C ATOM 1184 SD MET A 392 90.949 8.194 -5.816 1.00 1.31 S ATOM 1185 CE MET A 392 90.945 9.038 -4.215 1.00 2.02 C ATOM 0 H MET A 392 90.909 5.027 -2.167 1.00 0.48 H new ATOM 0 HA MET A 392 92.200 4.122 -4.759 1.00 0.51 H new ATOM 0 HB2 MET A 392 92.080 6.881 -3.413 1.00 0.59 H new ATOM 0 HB3 MET A 392 93.026 6.505 -4.839 1.00 0.59 H new ATOM 0 HG2 MET A 392 90.869 5.791 -6.004 1.00 1.14 H new ATOM 0 HG3 MET A 392 89.978 6.350 -4.602 1.00 1.14 H new ATOM 0 HE1 MET A 392 90.310 9.922 -4.271 1.00 2.02 H new ATOM 0 HE2 MET A 392 90.562 8.364 -3.449 1.00 2.02 H new ATOM 0 HE3 MET A 392 91.961 9.337 -3.959 1.00 2.02 H new ATOM 1195 N ILE A 393 94.390 3.853 -3.568 1.00 0.45 N ATOM 1196 CA ILE A 393 95.606 3.566 -2.750 1.00 0.45 C ATOM 1197 C ILE A 393 96.867 4.010 -3.498 1.00 0.50 C ATOM 1198 O ILE A 393 97.008 3.774 -4.679 1.00 0.60 O ATOM 1199 CB ILE A 393 95.603 2.050 -2.545 1.00 0.43 C ATOM 1200 CG1 ILE A 393 94.250 1.613 -1.977 1.00 1.21 C ATOM 1201 CG2 ILE A 393 96.715 1.670 -1.566 1.00 0.98 C ATOM 1202 CD1 ILE A 393 94.073 2.193 -0.572 1.00 1.68 C ATOM 0 H ILE A 393 94.426 3.532 -4.535 1.00 0.45 H new ATOM 0 HA ILE A 393 95.599 4.102 -1.801 1.00 0.45 H new ATOM 0 HB ILE A 393 95.771 1.552 -3.500 1.00 0.43 H new ATOM 0 HG12 ILE A 393 93.444 1.954 -2.627 1.00 1.21 H new ATOM 0 HG13 ILE A 393 94.193 0.525 -1.942 1.00 1.21 H new ATOM 0 HG21 ILE A 393 96.716 0.590 -1.418 1.00 0.98 H new ATOM 0 HG22 ILE A 393 97.678 1.981 -1.971 1.00 0.98 H new ATOM 0 HG23 ILE A 393 96.545 2.167 -0.611 1.00 0.98 H new ATOM 0 HD11 ILE A 393 93.110 1.881 -0.168 1.00 1.68 H new ATOM 0 HD12 ILE A 393 94.872 1.830 0.075 1.00 1.68 H new ATOM 0 HD13 ILE A 393 94.111 3.281 -0.620 1.00 1.68 H new ATOM 1214 N ARG A 394 97.819 4.566 -2.798 1.00 0.63 N ATOM 1215 CA ARG A 394 99.112 4.928 -3.451 1.00 0.72 C ATOM 1216 C ARG A 394 100.287 4.640 -2.509 1.00 0.60 C ATOM 1217 O ARG A 394 100.200 4.834 -1.317 1.00 0.54 O ATOM 1218 CB ARG A 394 99.008 6.426 -3.739 1.00 0.78 C ATOM 1219 CG ARG A 394 97.926 6.670 -4.794 1.00 1.27 C ATOM 1220 CD ARG A 394 98.422 6.181 -6.156 1.00 1.04 C ATOM 1221 NE ARG A 394 97.378 6.618 -7.124 1.00 1.47 N ATOM 1222 CZ ARG A 394 97.669 6.753 -8.390 1.00 1.92 C ATOM 1223 NH1 ARG A 394 98.874 6.490 -8.823 1.00 2.78 N ATOM 1224 NH2 ARG A 394 96.750 7.147 -9.230 1.00 2.09 N ATOM 0 H ARG A 394 97.758 4.785 -1.804 1.00 0.63 H new ATOM 0 HA ARG A 394 99.288 4.350 -4.358 1.00 0.72 H new ATOM 0 HB2 ARG A 394 98.767 6.967 -2.824 1.00 0.78 H new ATOM 0 HB3 ARG A 394 99.967 6.807 -4.091 1.00 0.78 H new ATOM 0 HG2 ARG A 394 97.010 6.146 -4.519 1.00 1.27 H new ATOM 0 HG3 ARG A 394 97.684 7.732 -4.843 1.00 1.27 H new ATOM 0 HD2 ARG A 394 99.393 6.612 -6.401 1.00 1.04 H new ATOM 0 HD3 ARG A 394 98.542 5.098 -6.167 1.00 1.04 H new ATOM 0 HE ARG A 394 96.432 6.813 -6.797 1.00 1.47 H new ATOM 0 HH11 ARG A 394 99.593 6.177 -8.171 1.00 2.78 H new ATOM 0 HH12 ARG A 394 99.095 6.597 -9.813 1.00 2.78 H new ATOM 0 HH21 ARG A 394 95.807 7.349 -8.897 1.00 2.09 H new ATOM 0 HH22 ARG A 394 96.975 7.253 -10.219 1.00 2.09 H new ATOM 1238 N LYS A 395 101.389 4.197 -3.045 1.00 0.63 N ATOM 1239 CA LYS A 395 102.586 3.912 -2.200 1.00 0.58 C ATOM 1240 C LYS A 395 103.859 4.251 -2.980 1.00 0.60 C ATOM 1241 O LYS A 395 103.926 4.058 -4.173 1.00 0.68 O ATOM 1242 CB LYS A 395 102.523 2.411 -1.923 1.00 0.72 C ATOM 1243 CG LYS A 395 103.527 2.045 -0.829 1.00 0.80 C ATOM 1244 CD LYS A 395 104.868 1.694 -1.472 1.00 1.11 C ATOM 1245 CE LYS A 395 104.710 0.428 -2.315 1.00 1.15 C ATOM 1246 NZ LYS A 395 106.054 -0.209 -2.295 1.00 1.57 N ATOM 0 H LYS A 395 101.515 4.018 -4.041 1.00 0.63 H new ATOM 0 HA LYS A 395 102.598 4.498 -1.281 1.00 0.58 H new ATOM 0 HB2 LYS A 395 101.516 2.131 -1.614 1.00 0.72 H new ATOM 0 HB3 LYS A 395 102.744 1.854 -2.834 1.00 0.72 H new ATOM 0 HG2 LYS A 395 103.649 2.879 -0.138 1.00 0.80 H new ATOM 0 HG3 LYS A 395 103.157 1.200 -0.248 1.00 0.80 H new ATOM 0 HD2 LYS A 395 105.212 2.519 -2.096 1.00 1.11 H new ATOM 0 HD3 LYS A 395 105.624 1.540 -0.702 1.00 1.11 H new ATOM 0 HE2 LYS A 395 103.952 -0.234 -1.897 1.00 1.15 H new ATOM 0 HE3 LYS A 395 104.400 0.666 -3.332 1.00 1.15 H new ATOM 0 HZ1 LYS A 395 106.040 -1.069 -2.880 1.00 1.57 H new ATOM 0 HZ2 LYS A 395 106.759 0.456 -2.673 1.00 1.57 H new ATOM 0 HZ3 LYS A 395 106.305 -0.460 -1.317 1.00 1.57 H new ATOM 1260 N GLY A 396 104.877 4.725 -2.320 1.00 0.56 N ATOM 1261 CA GLY A 396 106.145 5.034 -3.050 1.00 0.60 C ATOM 1262 C GLY A 396 107.157 5.681 -2.106 1.00 0.55 C ATOM 1263 O GLY A 396 107.230 5.348 -0.940 1.00 0.82 O ATOM 0 H GLY A 396 104.891 4.912 -1.317 1.00 0.56 H new ATOM 0 HA2 GLY A 396 106.563 4.119 -3.470 1.00 0.60 H new ATOM 0 HA3 GLY A 396 105.938 5.703 -3.885 1.00 0.60 H new ATOM 1267 N SER A 397 108.010 6.527 -2.626 1.00 0.50 N ATOM 1268 CA SER A 397 109.096 7.093 -1.778 1.00 0.60 C ATOM 1269 C SER A 397 108.539 8.133 -0.808 1.00 0.48 C ATOM 1270 O SER A 397 107.441 8.625 -0.970 1.00 0.61 O ATOM 1271 CB SER A 397 110.096 7.727 -2.746 1.00 0.91 C ATOM 1272 OG SER A 397 109.808 9.111 -2.890 1.00 1.17 O ATOM 0 H SER A 397 108.000 6.847 -3.594 1.00 0.50 H new ATOM 0 HA SER A 397 109.569 6.323 -1.168 1.00 0.60 H new ATOM 0 HB2 SER A 397 111.112 7.593 -2.374 1.00 0.91 H new ATOM 0 HB3 SER A 397 110.043 7.231 -3.715 1.00 0.91 H new ATOM 0 HG SER A 397 110.342 9.482 -3.623 1.00 1.17 H new ATOM 1278 N VAL A 398 109.259 8.410 0.244 1.00 0.53 N ATOM 1279 CA VAL A 398 108.735 9.345 1.279 1.00 0.47 C ATOM 1280 C VAL A 398 108.490 10.722 0.667 1.00 0.51 C ATOM 1281 O VAL A 398 107.393 11.237 0.706 1.00 0.51 O ATOM 1282 CB VAL A 398 109.832 9.418 2.336 1.00 0.46 C ATOM 1283 CG1 VAL A 398 109.403 10.377 3.446 1.00 0.50 C ATOM 1284 CG2 VAL A 398 110.060 8.024 2.922 1.00 0.51 C ATOM 0 H VAL A 398 110.187 8.030 0.432 1.00 0.53 H new ATOM 0 HA VAL A 398 107.787 9.009 1.698 1.00 0.47 H new ATOM 0 HB VAL A 398 110.756 9.778 1.884 1.00 0.46 H new ATOM 0 HG11 VAL A 398 110.186 10.431 4.203 1.00 0.50 H new ATOM 0 HG12 VAL A 398 109.236 11.369 3.026 1.00 0.50 H new ATOM 0 HG13 VAL A 398 108.481 10.016 3.902 1.00 0.50 H new ATOM 0 HG21 VAL A 398 110.844 8.071 3.678 1.00 0.51 H new ATOM 0 HG22 VAL A 398 109.137 7.665 3.378 1.00 0.51 H new ATOM 0 HG23 VAL A 398 110.362 7.341 2.128 1.00 0.51 H new ATOM 1294 N ASP A 399 109.459 11.257 -0.018 1.00 0.55 N ATOM 1295 CA ASP A 399 109.215 12.521 -0.762 1.00 0.62 C ATOM 1296 C ASP A 399 108.118 12.281 -1.795 1.00 0.64 C ATOM 1297 O ASP A 399 107.302 13.137 -2.070 1.00 0.64 O ATOM 1298 CB ASP A 399 110.543 12.842 -1.449 1.00 0.71 C ATOM 1299 CG ASP A 399 111.595 13.183 -0.392 1.00 1.10 C ATOM 1300 OD1 ASP A 399 111.216 13.379 0.750 1.00 1.59 O ATOM 1301 OD2 ASP A 399 112.762 13.239 -0.744 1.00 1.46 O ATOM 0 H ASP A 399 110.403 10.877 -0.095 1.00 0.55 H new ATOM 0 HA ASP A 399 108.893 13.340 -0.119 1.00 0.62 H new ATOM 0 HB2 ASP A 399 110.872 11.990 -2.044 1.00 0.71 H new ATOM 0 HB3 ASP A 399 110.417 13.680 -2.135 1.00 0.71 H new ATOM 1306 N ALA A 400 108.105 11.114 -2.371 1.00 0.70 N ATOM 1307 CA ALA A 400 107.081 10.793 -3.400 1.00 0.76 C ATOM 1308 C ALA A 400 105.673 10.799 -2.791 1.00 0.72 C ATOM 1309 O ALA A 400 104.756 11.364 -3.344 1.00 0.75 O ATOM 1310 CB ALA A 400 107.458 9.395 -3.888 1.00 0.85 C ATOM 0 H ALA A 400 108.765 10.363 -2.171 1.00 0.70 H new ATOM 0 HA ALA A 400 107.062 11.523 -4.209 1.00 0.76 H new ATOM 0 HB1 ALA A 400 106.752 9.074 -4.654 1.00 0.85 H new ATOM 0 HB2 ALA A 400 108.464 9.415 -4.307 1.00 0.85 H new ATOM 0 HB3 ALA A 400 107.427 8.697 -3.051 1.00 0.85 H new ATOM 1316 N ILE A 401 105.477 10.179 -1.662 1.00 0.67 N ATOM 1317 CA ILE A 401 104.109 10.182 -1.068 1.00 0.66 C ATOM 1318 C ILE A 401 103.741 11.577 -0.562 1.00 0.59 C ATOM 1319 O ILE A 401 102.604 11.993 -0.639 1.00 0.64 O ATOM 1320 CB ILE A 401 104.164 9.180 0.084 1.00 0.64 C ATOM 1321 CG1 ILE A 401 104.503 7.790 -0.464 1.00 0.81 C ATOM 1322 CG2 ILE A 401 102.807 9.134 0.786 1.00 0.68 C ATOM 1323 CD1 ILE A 401 103.623 7.486 -1.678 1.00 0.62 C ATOM 0 H ILE A 401 106.190 9.678 -1.131 1.00 0.67 H new ATOM 0 HA ILE A 401 103.349 9.910 -1.801 1.00 0.66 H new ATOM 0 HB ILE A 401 104.930 9.487 0.796 1.00 0.64 H new ATOM 0 HG12 ILE A 401 105.555 7.746 -0.745 1.00 0.81 H new ATOM 0 HG13 ILE A 401 104.348 7.036 0.308 1.00 0.81 H new ATOM 0 HG21 ILE A 401 102.847 8.419 1.608 1.00 0.68 H new ATOM 0 HG22 ILE A 401 102.566 10.123 1.176 1.00 0.68 H new ATOM 0 HG23 ILE A 401 102.040 8.827 0.075 1.00 0.68 H new ATOM 0 HD11 ILE A 401 103.867 6.497 -2.065 1.00 0.62 H new ATOM 0 HD12 ILE A 401 102.574 7.512 -1.383 1.00 0.62 H new ATOM 0 HD13 ILE A 401 103.800 8.233 -2.452 1.00 0.62 H new ATOM 1335 N ARG A 402 104.691 12.312 -0.060 1.00 0.50 N ATOM 1336 CA ARG A 402 104.380 13.683 0.431 1.00 0.47 C ATOM 1337 C ARG A 402 103.868 14.545 -0.724 1.00 0.54 C ATOM 1338 O ARG A 402 102.910 15.278 -0.590 1.00 0.62 O ATOM 1339 CB ARG A 402 105.707 14.226 0.961 1.00 0.44 C ATOM 1340 CG ARG A 402 105.476 15.593 1.608 1.00 1.17 C ATOM 1341 CD ARG A 402 106.804 16.145 2.128 1.00 1.24 C ATOM 1342 NE ARG A 402 106.447 17.409 2.831 1.00 1.71 N ATOM 1343 CZ ARG A 402 107.286 17.954 3.671 1.00 2.17 C ATOM 1344 NH1 ARG A 402 108.445 17.396 3.900 1.00 2.62 N ATOM 1345 NH2 ARG A 402 106.965 19.061 4.284 1.00 2.61 N ATOM 0 H ARG A 402 105.666 12.025 0.032 1.00 0.50 H new ATOM 0 HA ARG A 402 103.607 13.685 1.200 1.00 0.47 H new ATOM 0 HB2 ARG A 402 106.131 13.534 1.689 1.00 0.44 H new ATOM 0 HB3 ARG A 402 106.427 14.314 0.148 1.00 0.44 H new ATOM 0 HG2 ARG A 402 105.043 16.282 0.882 1.00 1.17 H new ATOM 0 HG3 ARG A 402 104.762 15.503 2.427 1.00 1.17 H new ATOM 0 HD2 ARG A 402 107.287 15.440 2.805 1.00 1.24 H new ATOM 0 HD3 ARG A 402 107.501 16.331 1.311 1.00 1.24 H new ATOM 0 HE ARG A 402 105.544 17.850 2.656 1.00 1.71 H new ATOM 0 HH11 ARG A 402 108.698 16.531 3.422 1.00 2.62 H new ATOM 0 HH12 ARG A 402 109.097 17.825 4.557 1.00 2.62 H new ATOM 0 HH21 ARG A 402 106.061 19.498 4.107 1.00 2.61 H new ATOM 0 HH22 ARG A 402 107.618 19.488 4.940 1.00 2.61 H new ATOM 1359 N ARG A 403 104.497 14.457 -1.863 1.00 0.54 N ATOM 1360 CA ARG A 403 104.043 15.267 -3.026 1.00 0.62 C ATOM 1361 C ARG A 403 102.676 14.771 -3.523 1.00 0.72 C ATOM 1362 O ARG A 403 101.841 15.549 -3.936 1.00 0.82 O ATOM 1363 CB ARG A 403 105.144 15.096 -4.088 1.00 0.63 C ATOM 1364 CG ARG A 403 104.914 13.827 -4.909 1.00 0.83 C ATOM 1365 CD ARG A 403 104.147 14.176 -6.187 1.00 0.96 C ATOM 1366 NE ARG A 403 104.852 13.436 -7.271 1.00 1.38 N ATOM 1367 CZ ARG A 403 106.038 13.820 -7.665 1.00 2.01 C ATOM 1368 NH1 ARG A 403 106.613 14.855 -7.112 1.00 2.48 N ATOM 1369 NH2 ARG A 403 106.650 13.166 -8.614 1.00 2.46 N ATOM 0 H ARG A 403 105.305 13.860 -2.038 1.00 0.54 H new ATOM 0 HA ARG A 403 103.902 16.319 -2.777 1.00 0.62 H new ATOM 0 HB2 ARG A 403 105.157 15.964 -4.747 1.00 0.63 H new ATOM 0 HB3 ARG A 403 106.119 15.049 -3.603 1.00 0.63 H new ATOM 0 HG2 ARG A 403 105.869 13.366 -5.160 1.00 0.83 H new ATOM 0 HG3 ARG A 403 104.353 13.099 -4.323 1.00 0.83 H new ATOM 0 HD2 ARG A 403 103.102 13.873 -6.116 1.00 0.96 H new ATOM 0 HD3 ARG A 403 104.155 15.250 -6.372 1.00 0.96 H new ATOM 0 HE ARG A 403 104.408 12.628 -7.707 1.00 1.38 H new ATOM 0 HH11 ARG A 403 106.136 15.367 -6.370 1.00 2.48 H new ATOM 0 HH12 ARG A 403 107.538 15.151 -7.423 1.00 2.48 H new ATOM 0 HH21 ARG A 403 106.203 12.358 -9.046 1.00 2.46 H new ATOM 0 HH22 ARG A 403 107.575 13.463 -8.923 1.00 2.46 H new ATOM 1383 N HIS A 404 102.408 13.495 -3.414 1.00 0.74 N ATOM 1384 CA HIS A 404 101.063 12.986 -3.808 1.00 0.86 C ATOM 1385 C HIS A 404 99.984 13.544 -2.875 1.00 0.84 C ATOM 1386 O HIS A 404 98.924 13.955 -3.306 1.00 0.94 O ATOM 1387 CB HIS A 404 101.159 11.468 -3.670 1.00 0.92 C ATOM 1388 CG HIS A 404 99.847 10.845 -4.058 1.00 1.32 C ATOM 1389 ND1 HIS A 404 99.378 10.860 -5.362 1.00 1.39 N ATOM 1390 CD2 HIS A 404 98.888 10.193 -3.322 1.00 2.29 C ATOM 1391 CE1 HIS A 404 98.187 10.234 -5.371 1.00 1.88 C ATOM 1392 NE2 HIS A 404 97.842 9.808 -4.153 1.00 2.43 N ATOM 0 H HIS A 404 103.059 12.788 -3.071 1.00 0.74 H new ATOM 0 HA HIS A 404 100.790 13.288 -4.819 1.00 0.86 H new ATOM 0 HB2 HIS A 404 101.958 11.084 -4.305 1.00 0.92 H new ATOM 0 HB3 HIS A 404 101.411 11.201 -2.644 1.00 0.92 H new ATOM 0 HD2 HIS A 404 98.939 10.008 -2.259 1.00 2.29 H new ATOM 0 HE1 HIS A 404 97.583 10.093 -6.255 1.00 1.88 H new ATOM 0 HE2 HIS A 404 96.993 9.308 -3.889 1.00 2.43 H new ATOM 1400 N VAL A 405 100.257 13.595 -1.602 1.00 0.76 N ATOM 1401 CA VAL A 405 99.260 14.160 -0.650 1.00 0.79 C ATOM 1402 C VAL A 405 99.036 15.648 -0.934 1.00 0.85 C ATOM 1403 O VAL A 405 97.921 16.123 -0.943 1.00 0.94 O ATOM 1404 CB VAL A 405 99.876 13.957 0.734 1.00 0.76 C ATOM 1405 CG1 VAL A 405 98.950 14.548 1.797 1.00 0.80 C ATOM 1406 CG2 VAL A 405 100.063 12.462 0.995 1.00 0.76 C ATOM 0 H VAL A 405 101.127 13.270 -1.179 1.00 0.76 H new ATOM 0 HA VAL A 405 98.287 13.677 -0.735 1.00 0.79 H new ATOM 0 HB VAL A 405 100.844 14.457 0.777 1.00 0.76 H new ATOM 0 HG11 VAL A 405 99.390 14.403 2.784 1.00 0.80 H new ATOM 0 HG12 VAL A 405 98.817 15.614 1.612 1.00 0.80 H new ATOM 0 HG13 VAL A 405 97.982 14.049 1.754 1.00 0.80 H new ATOM 0 HG21 VAL A 405 100.502 12.317 1.982 1.00 0.76 H new ATOM 0 HG22 VAL A 405 99.096 11.961 0.951 1.00 0.76 H new ATOM 0 HG23 VAL A 405 100.724 12.040 0.238 1.00 0.76 H new ATOM 1416 N GLU A 406 100.083 16.397 -1.135 1.00 0.84 N ATOM 1417 CA GLU A 406 99.910 17.859 -1.375 1.00 0.95 C ATOM 1418 C GLU A 406 99.108 18.110 -2.658 1.00 1.05 C ATOM 1419 O GLU A 406 98.316 19.028 -2.732 1.00 1.19 O ATOM 1420 CB GLU A 406 101.331 18.407 -1.512 1.00 0.91 C ATOM 1421 CG GLU A 406 102.059 18.268 -0.174 1.00 0.88 C ATOM 1422 CD GLU A 406 101.339 19.101 0.888 1.00 1.43 C ATOM 1423 OE1 GLU A 406 100.553 19.954 0.512 1.00 1.86 O ATOM 1424 OE2 GLU A 406 101.586 18.872 2.061 1.00 2.16 O ATOM 0 H GLU A 406 101.047 16.064 -1.144 1.00 0.84 H new ATOM 0 HA GLU A 406 99.359 18.342 -0.568 1.00 0.95 H new ATOM 0 HB2 GLU A 406 101.869 17.864 -2.289 1.00 0.91 H new ATOM 0 HB3 GLU A 406 101.302 19.453 -1.816 1.00 0.91 H new ATOM 0 HG2 GLU A 406 102.089 17.221 0.129 1.00 0.88 H new ATOM 0 HG3 GLU A 406 103.092 18.601 -0.274 1.00 0.88 H new ATOM 1431 N ALA A 407 99.294 17.300 -3.665 1.00 1.02 N ATOM 1432 CA ALA A 407 98.524 17.499 -4.928 1.00 1.17 C ATOM 1433 C ALA A 407 97.039 17.250 -4.671 1.00 1.32 C ATOM 1434 O ALA A 407 96.193 18.046 -5.027 1.00 1.53 O ATOM 1435 CB ALA A 407 99.084 16.462 -5.903 1.00 1.12 C ATOM 0 H ALA A 407 99.942 16.513 -3.669 1.00 1.02 H new ATOM 0 HA ALA A 407 98.618 18.512 -5.320 1.00 1.17 H new ATOM 0 HB1 ALA A 407 98.567 16.545 -6.859 1.00 1.12 H new ATOM 0 HB2 ALA A 407 100.149 16.639 -6.050 1.00 1.12 H new ATOM 0 HB3 ALA A 407 98.935 15.462 -5.496 1.00 1.12 H new ATOM 1441 N ASN A 408 96.737 16.234 -3.914 1.00 1.23 N ATOM 1442 CA ASN A 408 95.337 16.024 -3.465 1.00 1.37 C ATOM 1443 C ASN A 408 94.938 17.153 -2.520 1.00 1.44 C ATOM 1444 O ASN A 408 93.773 17.437 -2.321 1.00 1.60 O ATOM 1445 CB ASN A 408 95.369 14.689 -2.727 1.00 1.27 C ATOM 1446 CG ASN A 408 95.554 13.552 -3.734 1.00 1.88 C ATOM 1447 OD1 ASN A 408 96.339 12.651 -3.516 1.00 2.75 O ATOM 1448 ND2 ASN A 408 94.857 13.556 -4.839 1.00 2.02 N ATOM 0 H ASN A 408 97.405 15.537 -3.586 1.00 1.23 H new ATOM 0 HA ASN A 408 94.618 16.017 -4.285 1.00 1.37 H new ATOM 0 HB2 ASN A 408 96.182 14.682 -2.002 1.00 1.27 H new ATOM 0 HB3 ASN A 408 94.443 14.548 -2.169 1.00 1.27 H new ATOM 0 HD21 ASN A 408 94.972 12.803 -5.517 1.00 2.02 H new ATOM 0 HD22 ASN A 408 94.197 14.312 -5.023 1.00 2.02 H new ATOM 1455 N GLY A 409 95.905 17.733 -1.870 1.00 1.37 N ATOM 1456 CA GLY A 409 95.610 18.769 -0.852 1.00 1.51 C ATOM 1457 C GLY A 409 95.590 18.124 0.535 1.00 1.69 C ATOM 1458 O GLY A 409 95.025 18.654 1.471 1.00 2.28 O ATOM 0 H GLY A 409 96.896 17.530 -2.004 1.00 1.37 H new ATOM 0 HA2 GLY A 409 96.363 19.556 -0.889 1.00 1.51 H new ATOM 0 HA3 GLY A 409 94.649 19.238 -1.062 1.00 1.51 H new ATOM 1462 N GLY A 410 96.238 17.000 0.679 1.00 1.39 N ATOM 1463 CA GLY A 410 96.300 16.335 2.011 1.00 1.72 C ATOM 1464 C GLY A 410 97.557 16.795 2.752 1.00 1.26 C ATOM 1465 O GLY A 410 98.252 17.691 2.314 1.00 1.69 O ATOM 0 H GLY A 410 96.728 16.513 -0.071 1.00 1.39 H new ATOM 0 HA2 GLY A 410 95.412 16.580 2.593 1.00 1.72 H new ATOM 0 HA3 GLY A 410 96.313 15.252 1.889 1.00 1.72 H new ATOM 1469 N HIS A 411 97.880 16.163 3.847 1.00 0.88 N ATOM 1470 CA HIS A 411 99.122 16.539 4.583 1.00 1.32 C ATOM 1471 C HIS A 411 99.832 15.288 5.108 1.00 1.27 C ATOM 1472 O HIS A 411 99.207 14.288 5.405 1.00 1.52 O ATOM 1473 CB HIS A 411 98.647 17.414 5.743 1.00 1.83 C ATOM 1474 CG HIS A 411 98.036 18.677 5.202 1.00 2.66 C ATOM 1475 ND1 HIS A 411 96.682 18.787 4.932 1.00 3.39 N ATOM 1476 CD2 HIS A 411 98.584 19.894 4.874 1.00 3.34 C ATOM 1477 CE1 HIS A 411 96.460 20.029 4.464 1.00 4.16 C ATOM 1478 NE2 HIS A 411 97.587 20.746 4.408 1.00 4.13 N ATOM 0 H HIS A 411 97.340 15.405 4.264 1.00 0.88 H new ATOM 0 HA HIS A 411 99.835 17.060 3.945 1.00 1.32 H new ATOM 0 HB2 HIS A 411 97.917 16.873 6.345 1.00 1.83 H new ATOM 0 HB3 HIS A 411 99.485 17.654 6.398 1.00 1.83 H new ATOM 0 HD2 HIS A 411 99.629 20.150 4.964 1.00 3.34 H new ATOM 0 HE1 HIS A 411 95.490 20.401 4.170 1.00 4.16 H new ATOM 0 HE2 HIS A 411 97.693 21.710 4.092 1.00 4.13 H new ATOM 1486 N PHE A 412 101.127 15.349 5.262 1.00 1.04 N ATOM 1487 CA PHE A 412 101.869 14.179 5.814 1.00 1.06 C ATOM 1488 C PHE A 412 101.992 14.309 7.337 1.00 1.03 C ATOM 1489 O PHE A 412 102.668 15.188 7.832 1.00 1.05 O ATOM 1490 CB PHE A 412 103.247 14.242 5.154 1.00 1.03 C ATOM 1491 CG PHE A 412 103.786 12.844 4.974 1.00 1.36 C ATOM 1492 CD1 PHE A 412 104.464 12.213 6.026 1.00 1.73 C ATOM 1493 CD2 PHE A 412 103.610 12.177 3.753 1.00 1.90 C ATOM 1494 CE1 PHE A 412 104.966 10.914 5.858 1.00 2.70 C ATOM 1495 CE2 PHE A 412 104.111 10.879 3.585 1.00 2.91 C ATOM 1496 CZ PHE A 412 104.789 10.247 4.637 1.00 3.31 C ATOM 0 H PHE A 412 101.703 16.158 5.030 1.00 1.04 H new ATOM 0 HA PHE A 412 101.366 13.233 5.615 1.00 1.06 H new ATOM 0 HB2 PHE A 412 103.176 14.743 4.188 1.00 1.03 H new ATOM 0 HB3 PHE A 412 103.929 14.829 5.768 1.00 1.03 H new ATOM 0 HD1 PHE A 412 104.600 12.727 6.966 1.00 1.73 H new ATOM 0 HD2 PHE A 412 103.088 12.664 2.942 1.00 1.90 H new ATOM 0 HE1 PHE A 412 105.489 10.428 6.668 1.00 2.70 H new ATOM 0 HE2 PHE A 412 103.975 10.365 2.645 1.00 2.91 H new ATOM 0 HZ PHE A 412 105.175 9.247 4.507 1.00 3.31 H new ATOM 1506 N PRO A 413 101.278 13.461 8.030 1.00 1.03 N ATOM 1507 CA PRO A 413 101.247 13.522 9.515 1.00 1.06 C ATOM 1508 C PRO A 413 102.658 13.380 10.095 1.00 0.96 C ATOM 1509 O PRO A 413 103.466 12.613 9.610 1.00 0.88 O ATOM 1510 CB PRO A 413 100.376 12.331 9.919 1.00 1.16 C ATOM 1511 CG PRO A 413 99.620 11.948 8.685 1.00 1.23 C ATOM 1512 CD PRO A 413 100.442 12.380 7.502 1.00 1.05 C ATOM 0 HA PRO A 413 100.860 14.471 9.886 1.00 1.06 H new ATOM 0 HB2 PRO A 413 100.987 11.502 10.277 1.00 1.16 H new ATOM 0 HB3 PRO A 413 99.696 12.599 10.728 1.00 1.16 H new ATOM 0 HG2 PRO A 413 99.446 10.872 8.660 1.00 1.23 H new ATOM 0 HG3 PRO A 413 98.642 12.429 8.669 1.00 1.23 H new ATOM 0 HD2 PRO A 413 101.047 11.560 7.115 1.00 1.05 H new ATOM 0 HD3 PRO A 413 99.812 12.726 6.683 1.00 1.05 H new ATOM 1520 N THR A 414 102.954 14.109 11.137 1.00 1.01 N ATOM 1521 CA THR A 414 104.308 14.015 11.757 1.00 0.97 C ATOM 1522 C THR A 414 104.585 12.583 12.216 1.00 0.92 C ATOM 1523 O THR A 414 105.664 12.065 12.035 1.00 0.84 O ATOM 1524 CB THR A 414 104.262 14.969 12.957 1.00 1.09 C ATOM 1525 OG1 THR A 414 105.588 15.268 13.372 1.00 1.63 O ATOM 1526 CG2 THR A 414 103.499 14.319 14.115 1.00 1.75 C ATOM 0 H THR A 414 102.316 14.766 11.586 1.00 1.01 H new ATOM 0 HA THR A 414 105.101 14.279 11.057 1.00 0.97 H new ATOM 0 HB THR A 414 103.752 15.887 12.665 1.00 1.09 H new ATOM 0 HG1 THR A 414 105.561 15.879 14.138 1.00 1.63 H new ATOM 0 HG21 THR A 414 103.472 15.004 14.963 1.00 1.75 H new ATOM 0 HG22 THR A 414 102.481 14.093 13.798 1.00 1.75 H new ATOM 0 HG23 THR A 414 104.001 13.397 14.409 1.00 1.75 H new ATOM 1534 N ASP A 415 103.632 11.950 12.836 1.00 0.99 N ATOM 1535 CA ASP A 415 103.870 10.568 13.334 1.00 0.97 C ATOM 1536 C ASP A 415 104.306 9.661 12.181 1.00 0.83 C ATOM 1537 O ASP A 415 105.194 8.848 12.323 1.00 0.84 O ATOM 1538 CB ASP A 415 102.527 10.113 13.899 1.00 1.08 C ATOM 1539 CG ASP A 415 102.195 10.935 15.146 1.00 1.27 C ATOM 1540 OD1 ASP A 415 103.079 11.622 15.631 1.00 1.80 O ATOM 1541 OD2 ASP A 415 101.063 10.863 15.595 1.00 1.87 O ATOM 0 H ASP A 415 102.702 12.327 13.019 1.00 0.99 H new ATOM 0 HA ASP A 415 104.659 10.528 14.085 1.00 0.97 H new ATOM 0 HB2 ASP A 415 101.745 10.236 13.150 1.00 1.08 H new ATOM 0 HB3 ASP A 415 102.566 9.053 14.149 1.00 1.08 H new ATOM 1546 N VAL A 416 103.704 9.804 11.033 1.00 0.71 N ATOM 1547 CA VAL A 416 104.105 8.955 9.875 1.00 0.60 C ATOM 1548 C VAL A 416 105.510 9.323 9.393 1.00 0.51 C ATOM 1549 O VAL A 416 106.329 8.468 9.130 1.00 0.46 O ATOM 1550 CB VAL A 416 103.071 9.254 8.792 1.00 0.58 C ATOM 1551 CG1 VAL A 416 103.536 8.661 7.460 1.00 0.51 C ATOM 1552 CG2 VAL A 416 101.731 8.631 9.185 1.00 0.71 C ATOM 0 H VAL A 416 102.954 10.470 10.846 1.00 0.71 H new ATOM 0 HA VAL A 416 104.134 7.897 10.135 1.00 0.60 H new ATOM 0 HB VAL A 416 102.957 10.333 8.688 1.00 0.58 H new ATOM 0 HG11 VAL A 416 102.797 8.875 6.688 1.00 0.51 H new ATOM 0 HG12 VAL A 416 104.492 9.103 7.179 1.00 0.51 H new ATOM 0 HG13 VAL A 416 103.651 7.582 7.562 1.00 0.51 H new ATOM 0 HG21 VAL A 416 100.991 8.843 8.413 1.00 0.71 H new ATOM 0 HG22 VAL A 416 101.848 7.552 9.289 1.00 0.71 H new ATOM 0 HG23 VAL A 416 101.398 9.053 10.133 1.00 0.71 H new ATOM 1562 N ASP A 417 105.822 10.587 9.345 1.00 0.53 N ATOM 1563 CA ASP A 417 107.204 10.992 8.957 1.00 0.53 C ATOM 1564 C ASP A 417 108.211 10.450 9.974 1.00 0.58 C ATOM 1565 O ASP A 417 109.265 9.959 9.623 1.00 0.60 O ATOM 1566 CB ASP A 417 107.187 12.520 8.970 1.00 0.61 C ATOM 1567 CG ASP A 417 108.491 13.053 8.376 1.00 1.03 C ATOM 1568 OD1 ASP A 417 109.274 12.248 7.899 1.00 1.81 O ATOM 1569 OD2 ASP A 417 108.685 14.257 8.407 1.00 1.15 O ATOM 0 H ASP A 417 105.185 11.355 9.556 1.00 0.53 H new ATOM 0 HA ASP A 417 107.496 10.601 7.982 1.00 0.53 H new ATOM 0 HB2 ASP A 417 106.337 12.889 8.396 1.00 0.61 H new ATOM 0 HB3 ASP A 417 107.065 12.884 9.990 1.00 0.61 H new ATOM 1574 N GLN A 418 107.850 10.449 11.225 1.00 0.62 N ATOM 1575 CA GLN A 418 108.732 9.847 12.261 1.00 0.68 C ATOM 1576 C GLN A 418 108.886 8.338 12.030 1.00 0.69 C ATOM 1577 O GLN A 418 109.970 7.803 12.115 1.00 0.81 O ATOM 1578 CB GLN A 418 108.020 10.136 13.582 1.00 0.73 C ATOM 1579 CG GLN A 418 108.078 11.637 13.877 1.00 1.31 C ATOM 1580 CD GLN A 418 107.339 11.929 15.184 1.00 1.86 C ATOM 1581 OE1 GLN A 418 106.581 11.110 15.664 1.00 1.96 O ATOM 1582 NE2 GLN A 418 107.531 13.071 15.786 1.00 2.60 N ATOM 0 H GLN A 418 106.977 10.842 11.577 1.00 0.62 H new ATOM 0 HA GLN A 418 109.742 10.258 12.243 1.00 0.68 H new ATOM 0 HB2 GLN A 418 106.983 9.805 13.528 1.00 0.73 H new ATOM 0 HB3 GLN A 418 108.491 9.577 14.391 1.00 0.73 H new ATOM 0 HG2 GLN A 418 109.115 11.964 13.952 1.00 1.31 H new ATOM 0 HG3 GLN A 418 107.626 12.197 13.058 1.00 1.31 H new ATOM 0 HE21 GLN A 418 108.167 13.759 15.383 1.00 2.60 H new ATOM 0 HE22 GLN A 418 107.045 13.275 16.659 1.00 2.60 H new ATOM 1591 N LYS A 419 107.824 7.648 11.716 1.00 0.61 N ATOM 1592 CA LYS A 419 107.948 6.182 11.461 1.00 0.63 C ATOM 1593 C LYS A 419 108.849 5.912 10.251 1.00 0.62 C ATOM 1594 O LYS A 419 109.627 4.984 10.243 1.00 0.71 O ATOM 1595 CB LYS A 419 106.521 5.705 11.185 1.00 0.57 C ATOM 1596 CG LYS A 419 105.690 5.806 12.465 1.00 0.81 C ATOM 1597 CD LYS A 419 104.292 5.238 12.212 1.00 0.93 C ATOM 1598 CE LYS A 419 103.424 5.441 13.456 1.00 1.33 C ATOM 1599 NZ LYS A 419 104.067 4.609 14.512 1.00 2.49 N ATOM 0 H LYS A 419 106.883 8.030 11.625 1.00 0.61 H new ATOM 0 HA LYS A 419 108.400 5.661 12.305 1.00 0.63 H new ATOM 0 HB2 LYS A 419 106.070 6.310 10.398 1.00 0.57 H new ATOM 0 HB3 LYS A 419 106.534 4.675 10.828 1.00 0.57 H new ATOM 0 HG2 LYS A 419 106.177 5.257 13.271 1.00 0.81 H new ATOM 0 HG3 LYS A 419 105.619 6.846 12.784 1.00 0.81 H new ATOM 0 HD2 LYS A 419 103.837 5.733 11.354 1.00 0.93 H new ATOM 0 HD3 LYS A 419 104.357 4.177 11.971 1.00 0.93 H new ATOM 0 HE2 LYS A 419 103.390 6.491 13.747 1.00 1.33 H new ATOM 0 HE3 LYS A 419 102.396 5.126 13.276 1.00 1.33 H new ATOM 0 HZ1 LYS A 419 103.371 4.389 15.252 1.00 2.49 H new ATOM 0 HZ2 LYS A 419 104.417 3.724 14.092 1.00 2.49 H new ATOM 0 HZ3 LYS A 419 104.863 5.132 14.930 1.00 2.49 H new ATOM 1613 N VAL A 420 108.761 6.723 9.234 1.00 0.56 N ATOM 1614 CA VAL A 420 109.616 6.516 8.026 1.00 0.62 C ATOM 1615 C VAL A 420 111.087 6.744 8.371 1.00 0.71 C ATOM 1616 O VAL A 420 111.967 6.049 7.906 1.00 0.79 O ATOM 1617 CB VAL A 420 109.137 7.570 7.030 1.00 0.60 C ATOM 1618 CG1 VAL A 420 110.041 7.554 5.799 1.00 0.70 C ATOM 1619 CG2 VAL A 420 107.699 7.261 6.610 1.00 0.59 C ATOM 0 H VAL A 420 108.132 7.524 9.185 1.00 0.56 H new ATOM 0 HA VAL A 420 109.536 5.503 7.630 1.00 0.62 H new ATOM 0 HB VAL A 420 109.175 8.554 7.497 1.00 0.60 H new ATOM 0 HG11 VAL A 420 109.700 8.306 5.087 1.00 0.70 H new ATOM 0 HG12 VAL A 420 111.066 7.775 6.097 1.00 0.70 H new ATOM 0 HG13 VAL A 420 110.003 6.570 5.333 1.00 0.70 H new ATOM 0 HG21 VAL A 420 107.358 8.014 5.899 1.00 0.59 H new ATOM 0 HG22 VAL A 420 107.660 6.277 6.143 1.00 0.59 H new ATOM 0 HG23 VAL A 420 107.053 7.272 7.488 1.00 0.59 H new ATOM 1629 N ASP A 421 111.353 7.726 9.177 1.00 0.72 N ATOM 1630 CA ASP A 421 112.760 8.029 9.559 1.00 0.84 C ATOM 1631 C ASP A 421 113.329 6.920 10.446 1.00 0.91 C ATOM 1632 O ASP A 421 114.429 6.448 10.242 1.00 1.00 O ATOM 1633 CB ASP A 421 112.663 9.340 10.334 1.00 0.88 C ATOM 1634 CG ASP A 421 112.382 10.488 9.364 1.00 1.14 C ATOM 1635 OD1 ASP A 421 112.437 10.254 8.167 1.00 1.25 O ATOM 1636 OD2 ASP A 421 112.115 11.582 9.833 1.00 2.05 O ATOM 0 H ASP A 421 110.652 8.339 9.593 1.00 0.72 H new ATOM 0 HA ASP A 421 113.421 8.101 8.696 1.00 0.84 H new ATOM 0 HB2 ASP A 421 111.869 9.277 11.078 1.00 0.88 H new ATOM 0 HB3 ASP A 421 113.592 9.525 10.874 1.00 0.88 H new ATOM 1641 N GLN A 422 112.562 6.461 11.394 1.00 0.89 N ATOM 1642 CA GLN A 422 113.026 5.337 12.255 1.00 0.98 C ATOM 1643 C GLN A 422 113.184 4.070 11.415 1.00 0.98 C ATOM 1644 O GLN A 422 114.104 3.302 11.603 1.00 1.07 O ATOM 1645 CB GLN A 422 111.930 5.166 13.307 1.00 0.99 C ATOM 1646 CG GLN A 422 111.776 6.469 14.099 1.00 1.32 C ATOM 1647 CD GLN A 422 113.092 6.795 14.807 1.00 1.77 C ATOM 1648 OE1 GLN A 422 113.599 7.992 14.697 1.00 2.33 O flip ATOM 1649 NE2 GLN A 422 113.665 5.951 15.467 1.00 2.33 N flip ATOM 0 H GLN A 422 111.631 6.816 11.611 1.00 0.89 H new ATOM 0 HA GLN A 422 113.995 5.532 12.715 1.00 0.98 H new ATOM 0 HB2 GLN A 422 110.987 4.906 12.826 1.00 0.99 H new ATOM 0 HB3 GLN A 422 112.181 4.346 13.980 1.00 0.99 H new ATOM 0 HG2 GLN A 422 111.500 7.283 13.429 1.00 1.32 H new ATOM 0 HG3 GLN A 422 110.973 6.370 14.829 1.00 1.32 H new ATOM 0 HE21 GLN A 422 113.269 5.015 15.553 1.00 2.33 H new ATOM 0 HE22 GLN A 422 114.542 6.178 15.935 1.00 2.33 H new ATOM 1658 N VAL A 423 112.388 3.928 10.395 1.00 0.91 N ATOM 1659 CA VAL A 423 112.598 2.809 9.442 1.00 0.94 C ATOM 1660 C VAL A 423 113.983 2.933 8.799 1.00 0.96 C ATOM 1661 O VAL A 423 114.721 1.973 8.700 1.00 1.00 O ATOM 1662 CB VAL A 423 111.501 2.998 8.401 1.00 0.92 C ATOM 1663 CG1 VAL A 423 111.694 2.006 7.256 1.00 0.95 C ATOM 1664 CG2 VAL A 423 110.136 2.773 9.050 1.00 0.99 C ATOM 0 H VAL A 423 111.600 4.540 10.181 1.00 0.91 H new ATOM 0 HA VAL A 423 112.554 1.827 9.914 1.00 0.94 H new ATOM 0 HB VAL A 423 111.553 4.013 8.006 1.00 0.92 H new ATOM 0 HG11 VAL A 423 110.906 2.147 6.516 1.00 0.95 H new ATOM 0 HG12 VAL A 423 112.665 2.173 6.789 1.00 0.95 H new ATOM 0 HG13 VAL A 423 111.649 0.989 7.645 1.00 0.95 H new ATOM 0 HG21 VAL A 423 109.352 2.908 8.305 1.00 0.99 H new ATOM 0 HG22 VAL A 423 110.086 1.760 9.450 1.00 0.99 H new ATOM 0 HG23 VAL A 423 109.995 3.490 9.859 1.00 0.99 H new ATOM 1674 N ALA A 424 114.357 4.120 8.408 1.00 0.98 N ATOM 1675 CA ALA A 424 115.714 4.323 7.824 1.00 1.07 C ATOM 1676 C ALA A 424 116.784 4.178 8.907 1.00 1.17 C ATOM 1677 O ALA A 424 117.751 3.457 8.751 1.00 1.24 O ATOM 1678 CB ALA A 424 115.699 5.751 7.291 1.00 1.09 C ATOM 0 H ALA A 424 113.781 4.960 8.468 1.00 0.98 H new ATOM 0 HA ALA A 424 115.942 3.593 7.048 1.00 1.07 H new ATOM 0 HB1 ALA A 424 116.665 5.982 6.843 1.00 1.09 H new ATOM 0 HB2 ALA A 424 114.917 5.850 6.539 1.00 1.09 H new ATOM 0 HB3 ALA A 424 115.504 6.443 8.110 1.00 1.09 H new ATOM 1684 N ARG A 425 116.616 4.857 10.010 1.00 1.23 N ATOM 1685 CA ARG A 425 117.619 4.759 11.107 1.00 1.39 C ATOM 1686 C ARG A 425 117.827 3.295 11.495 1.00 1.38 C ATOM 1687 O ARG A 425 118.844 2.925 12.045 1.00 1.53 O ATOM 1688 CB ARG A 425 117.012 5.543 12.272 1.00 1.57 C ATOM 1689 CG ARG A 425 116.905 7.022 11.893 1.00 2.17 C ATOM 1690 CD ARG A 425 116.339 7.812 13.074 1.00 2.43 C ATOM 1691 NE ARG A 425 117.413 7.784 14.106 1.00 2.68 N ATOM 1692 CZ ARG A 425 117.373 8.609 15.119 1.00 3.44 C ATOM 1693 NH1 ARG A 425 116.393 9.466 15.232 1.00 4.11 N ATOM 1694 NH2 ARG A 425 118.317 8.578 16.020 1.00 3.73 N ATOM 0 H ARG A 425 115.827 5.475 10.198 1.00 1.23 H new ATOM 0 HA ARG A 425 118.592 5.154 10.816 1.00 1.39 H new ATOM 0 HB2 ARG A 425 116.026 5.147 12.516 1.00 1.57 H new ATOM 0 HB3 ARG A 425 117.630 5.429 13.162 1.00 1.57 H new ATOM 0 HG2 ARG A 425 117.886 7.410 11.619 1.00 2.17 H new ATOM 0 HG3 ARG A 425 116.261 7.139 11.021 1.00 2.17 H new ATOM 0 HD2 ARG A 425 116.096 8.834 12.785 1.00 2.43 H new ATOM 0 HD3 ARG A 425 115.420 7.360 13.448 1.00 2.43 H new ATOM 0 HE ARG A 425 118.182 7.119 14.022 1.00 2.68 H new ATOM 0 HH11 ARG A 425 115.655 9.493 14.528 1.00 4.11 H new ATOM 0 HH12 ARG A 425 116.366 10.108 16.024 1.00 4.11 H new ATOM 0 HH21 ARG A 425 119.084 7.911 15.933 1.00 3.73 H new ATOM 0 HH22 ARG A 425 118.288 9.221 16.811 1.00 3.73 H new ATOM 1708 N GLN A 426 116.876 2.455 11.191 1.00 1.26 N ATOM 1709 CA GLN A 426 117.031 1.006 11.522 1.00 1.33 C ATOM 1710 C GLN A 426 117.672 0.252 10.355 1.00 1.26 C ATOM 1711 O GLN A 426 117.888 -0.943 10.420 1.00 1.33 O ATOM 1712 CB GLN A 426 115.612 0.504 11.782 1.00 1.34 C ATOM 1713 CG GLN A 426 115.058 1.195 13.027 1.00 1.95 C ATOM 1714 CD GLN A 426 115.714 0.601 14.275 1.00 2.42 C ATOM 1715 OE1 GLN A 426 115.809 -0.601 14.412 1.00 2.68 O ATOM 1716 NE2 GLN A 426 116.174 1.401 15.198 1.00 2.92 N ATOM 0 H GLN A 426 116.001 2.706 10.730 1.00 1.26 H new ATOM 0 HA GLN A 426 117.680 0.849 12.383 1.00 1.33 H new ATOM 0 HB2 GLN A 426 114.976 0.712 10.922 1.00 1.34 H new ATOM 0 HB3 GLN A 426 115.615 -0.577 11.922 1.00 1.34 H new ATOM 0 HG2 GLN A 426 115.251 2.267 12.977 1.00 1.95 H new ATOM 0 HG3 GLN A 426 113.977 1.067 13.076 1.00 1.95 H new ATOM 0 HE21 GLN A 426 116.094 2.411 15.083 1.00 2.92 H new ATOM 0 HE22 GLN A 426 116.613 1.016 16.034 1.00 2.92 H new ATOM 1725 N GLY A 427 118.044 0.948 9.319 1.00 1.16 N ATOM 1726 CA GLY A 427 118.749 0.281 8.186 1.00 1.14 C ATOM 1727 C GLY A 427 117.726 -0.242 7.176 1.00 1.07 C ATOM 1728 O GLY A 427 118.062 -0.946 6.244 1.00 1.11 O ATOM 0 H GLY A 427 117.891 1.950 9.206 1.00 1.16 H new ATOM 0 HA2 GLY A 427 119.425 0.985 7.701 1.00 1.14 H new ATOM 0 HA3 GLY A 427 119.359 -0.542 8.559 1.00 1.14 H new ATOM 1732 N ALA A 428 116.488 0.131 7.328 1.00 1.07 N ATOM 1733 CA ALA A 428 115.446 -0.301 6.352 1.00 1.00 C ATOM 1734 C ALA A 428 115.102 0.853 5.414 1.00 0.94 C ATOM 1735 O ALA A 428 115.204 2.008 5.777 1.00 0.97 O ATOM 1736 CB ALA A 428 114.235 -0.676 7.207 1.00 1.04 C ATOM 0 H ALA A 428 116.149 0.719 8.089 1.00 1.07 H new ATOM 0 HA ALA A 428 115.777 -1.132 5.730 1.00 1.00 H new ATOM 0 HB1 ALA A 428 113.422 -1.006 6.561 1.00 1.04 H new ATOM 0 HB2 ALA A 428 114.506 -1.482 7.889 1.00 1.04 H new ATOM 0 HB3 ALA A 428 113.913 0.192 7.782 1.00 1.04 H new ATOM 1742 N THR A 429 114.589 0.552 4.255 1.00 0.92 N ATOM 1743 CA THR A 429 114.115 1.639 3.352 1.00 0.88 C ATOM 1744 C THR A 429 112.628 1.871 3.594 1.00 0.65 C ATOM 1745 O THR A 429 111.814 1.023 3.292 1.00 0.62 O ATOM 1746 CB THR A 429 114.346 1.124 1.929 1.00 1.00 C ATOM 1747 OG1 THR A 429 115.726 1.235 1.606 1.00 1.21 O ATOM 1748 CG2 THR A 429 113.518 1.955 0.938 1.00 1.00 C ATOM 0 H THR A 429 114.477 -0.395 3.894 1.00 0.92 H new ATOM 0 HA THR A 429 114.637 2.581 3.522 1.00 0.88 H new ATOM 0 HB THR A 429 114.039 0.080 1.867 1.00 1.00 H new ATOM 0 HG1 THR A 429 115.877 0.904 0.696 1.00 1.21 H new ATOM 0 HG21 THR A 429 113.684 1.586 -0.074 1.00 1.00 H new ATOM 0 HG22 THR A 429 112.460 1.869 1.186 1.00 1.00 H new ATOM 0 HG23 THR A 429 113.821 3.000 0.998 1.00 1.00 H new ATOM 1756 N PRO A 430 112.328 2.989 4.190 1.00 0.70 N ATOM 1757 CA PRO A 430 110.931 3.306 4.538 1.00 0.55 C ATOM 1758 C PRO A 430 110.154 3.717 3.286 1.00 0.54 C ATOM 1759 O PRO A 430 110.220 4.852 2.858 1.00 0.68 O ATOM 1760 CB PRO A 430 111.042 4.484 5.512 1.00 0.81 C ATOM 1761 CG PRO A 430 112.511 4.715 5.730 1.00 1.20 C ATOM 1762 CD PRO A 430 113.244 4.048 4.600 1.00 1.04 C ATOM 0 HA PRO A 430 110.402 2.457 4.971 1.00 0.55 H new ATOM 0 HB2 PRO A 430 110.565 5.374 5.101 1.00 0.81 H new ATOM 0 HB3 PRO A 430 110.540 4.259 6.453 1.00 0.81 H new ATOM 0 HG2 PRO A 430 112.732 5.782 5.754 1.00 1.20 H new ATOM 0 HG3 PRO A 430 112.826 4.302 6.688 1.00 1.20 H new ATOM 0 HD2 PRO A 430 113.447 4.743 3.785 1.00 1.04 H new ATOM 0 HD3 PRO A 430 114.205 3.647 4.924 1.00 1.04 H new ATOM 1770 N LEU A 431 109.221 2.905 2.884 1.00 0.47 N ATOM 1771 CA LEU A 431 108.225 3.380 1.892 1.00 0.56 C ATOM 1772 C LEU A 431 107.049 3.985 2.648 1.00 0.54 C ATOM 1773 O LEU A 431 106.824 3.670 3.796 1.00 0.59 O ATOM 1774 CB LEU A 431 107.762 2.140 1.125 1.00 0.59 C ATOM 1775 CG LEU A 431 108.924 1.533 0.345 1.00 0.59 C ATOM 1776 CD1 LEU A 431 108.401 0.371 -0.502 1.00 1.14 C ATOM 1777 CD2 LEU A 431 109.532 2.594 -0.573 1.00 1.40 C ATOM 0 H LEU A 431 109.106 1.941 3.197 1.00 0.47 H new ATOM 0 HA LEU A 431 108.637 4.129 1.215 1.00 0.56 H new ATOM 0 HB2 LEU A 431 107.358 1.404 1.820 1.00 0.59 H new ATOM 0 HB3 LEU A 431 106.957 2.407 0.441 1.00 0.59 H new ATOM 0 HG LEU A 431 109.685 1.175 1.038 1.00 0.59 H new ATOM 0 HD11 LEU A 431 109.225 -0.070 -1.064 1.00 1.14 H new ATOM 0 HD12 LEU A 431 107.961 -0.384 0.149 1.00 1.14 H new ATOM 0 HD13 LEU A 431 107.644 0.738 -1.196 1.00 1.14 H new ATOM 0 HD21 LEU A 431 110.362 2.160 -1.130 1.00 1.40 H new ATOM 0 HD22 LEU A 431 108.773 2.950 -1.270 1.00 1.40 H new ATOM 0 HD23 LEU A 431 109.894 3.429 0.026 1.00 1.40 H new ATOM 1789 N VAL A 432 106.245 4.769 2.008 1.00 0.49 N ATOM 1790 CA VAL A 432 105.033 5.276 2.703 1.00 0.48 C ATOM 1791 C VAL A 432 103.783 4.962 1.884 1.00 0.48 C ATOM 1792 O VAL A 432 103.778 5.062 0.673 1.00 0.52 O ATOM 1793 CB VAL A 432 105.243 6.782 2.834 1.00 0.43 C ATOM 1794 CG1 VAL A 432 104.046 7.406 3.554 1.00 0.45 C ATOM 1795 CG2 VAL A 432 106.516 7.050 3.639 1.00 0.51 C ATOM 0 H VAL A 432 106.367 5.081 1.045 1.00 0.49 H new ATOM 0 HA VAL A 432 104.890 4.809 3.677 1.00 0.48 H new ATOM 0 HB VAL A 432 105.339 7.222 1.841 1.00 0.43 H new ATOM 0 HG11 VAL A 432 104.197 8.481 3.647 1.00 0.45 H new ATOM 0 HG12 VAL A 432 103.138 7.215 2.982 1.00 0.45 H new ATOM 0 HG13 VAL A 432 103.949 6.966 4.547 1.00 0.45 H new ATOM 0 HG21 VAL A 432 106.667 8.125 3.733 1.00 0.51 H new ATOM 0 HG22 VAL A 432 106.419 6.609 4.631 1.00 0.51 H new ATOM 0 HG23 VAL A 432 107.370 6.607 3.127 1.00 0.51 H new ATOM 1805 N VAL A 433 102.729 4.567 2.542 1.00 0.44 N ATOM 1806 CA VAL A 433 101.471 4.229 1.823 1.00 0.45 C ATOM 1807 C VAL A 433 100.357 5.165 2.285 1.00 0.37 C ATOM 1808 O VAL A 433 100.176 5.388 3.467 1.00 0.37 O ATOM 1809 CB VAL A 433 101.157 2.788 2.228 1.00 0.56 C ATOM 1810 CG1 VAL A 433 100.000 2.257 1.378 1.00 0.59 C ATOM 1811 CG2 VAL A 433 102.393 1.913 2.008 1.00 1.08 C ATOM 0 H VAL A 433 102.686 4.463 3.556 1.00 0.44 H new ATOM 0 HA VAL A 433 101.563 4.334 0.742 1.00 0.45 H new ATOM 0 HB VAL A 433 100.876 2.762 3.281 1.00 0.56 H new ATOM 0 HG11 VAL A 433 99.777 1.230 1.668 1.00 0.59 H new ATOM 0 HG12 VAL A 433 99.118 2.878 1.535 1.00 0.59 H new ATOM 0 HG13 VAL A 433 100.280 2.284 0.325 1.00 0.59 H new ATOM 0 HG21 VAL A 433 102.168 0.886 2.297 1.00 1.08 H new ATOM 0 HG22 VAL A 433 102.675 1.940 0.956 1.00 1.08 H new ATOM 0 HG23 VAL A 433 103.217 2.288 2.615 1.00 1.08 H new ATOM 1821 N VAL A 434 99.575 5.667 1.372 1.00 0.43 N ATOM 1822 CA VAL A 434 98.435 6.533 1.775 1.00 0.43 C ATOM 1823 C VAL A 434 97.148 6.076 1.099 1.00 0.48 C ATOM 1824 O VAL A 434 97.154 5.577 -0.007 1.00 0.90 O ATOM 1825 CB VAL A 434 98.798 7.947 1.316 1.00 0.53 C ATOM 1826 CG1 VAL A 434 100.263 8.234 1.643 1.00 0.70 C ATOM 1827 CG2 VAL A 434 98.574 8.084 -0.193 1.00 0.49 C ATOM 0 H VAL A 434 99.675 5.516 0.368 1.00 0.43 H new ATOM 0 HA VAL A 434 98.266 6.489 2.851 1.00 0.43 H new ATOM 0 HB VAL A 434 98.162 8.662 1.837 1.00 0.53 H new ATOM 0 HG11 VAL A 434 100.518 9.242 1.315 1.00 0.70 H new ATOM 0 HG12 VAL A 434 100.418 8.152 2.719 1.00 0.70 H new ATOM 0 HG13 VAL A 434 100.899 7.513 1.129 1.00 0.70 H new ATOM 0 HG21 VAL A 434 98.835 9.094 -0.509 1.00 0.49 H new ATOM 0 HG22 VAL A 434 99.201 7.365 -0.721 1.00 0.49 H new ATOM 0 HG23 VAL A 434 97.526 7.891 -0.424 1.00 0.49 H new ATOM 1837 N GLU A 435 96.046 6.374 1.706 1.00 0.61 N ATOM 1838 CA GLU A 435 94.739 6.111 1.050 1.00 0.60 C ATOM 1839 C GLU A 435 94.219 7.406 0.443 1.00 0.62 C ATOM 1840 O GLU A 435 94.148 8.421 1.107 1.00 0.67 O ATOM 1841 CB GLU A 435 93.815 5.638 2.170 1.00 0.70 C ATOM 1842 CG GLU A 435 93.608 4.130 2.043 1.00 0.76 C ATOM 1843 CD GLU A 435 92.578 3.666 3.074 1.00 1.13 C ATOM 1844 OE1 GLU A 435 92.177 4.479 3.889 1.00 1.79 O ATOM 1845 OE2 GLU A 435 92.209 2.503 3.031 1.00 1.34 O ATOM 0 H GLU A 435 95.988 6.792 2.635 1.00 0.61 H new ATOM 0 HA GLU A 435 94.808 5.372 0.252 1.00 0.60 H new ATOM 0 HB2 GLU A 435 94.248 5.878 3.141 1.00 0.70 H new ATOM 0 HB3 GLU A 435 92.857 6.155 2.111 1.00 0.70 H new ATOM 0 HG2 GLU A 435 93.268 3.883 1.037 1.00 0.76 H new ATOM 0 HG3 GLU A 435 94.553 3.609 2.197 1.00 0.76 H new ATOM 1852 N GLY A 436 93.989 7.429 -0.833 1.00 0.61 N ATOM 1853 CA GLY A 436 93.636 8.722 -1.470 1.00 0.64 C ATOM 1854 C GLY A 436 94.751 9.731 -1.182 1.00 0.68 C ATOM 1855 O GLY A 436 95.830 9.653 -1.734 1.00 1.42 O ATOM 0 H GLY A 436 94.029 6.623 -1.456 1.00 0.61 H new ATOM 0 HA2 GLY A 436 93.512 8.592 -2.545 1.00 0.64 H new ATOM 0 HA3 GLY A 436 92.686 9.088 -1.081 1.00 0.64 H new ATOM 1859 N SER A 437 94.480 10.708 -0.360 1.00 0.84 N ATOM 1860 CA SER A 437 95.502 11.759 -0.080 1.00 0.81 C ATOM 1861 C SER A 437 95.981 11.695 1.379 1.00 0.83 C ATOM 1862 O SER A 437 96.591 12.624 1.874 1.00 1.35 O ATOM 1863 CB SER A 437 94.781 13.079 -0.342 1.00 0.80 C ATOM 1864 OG SER A 437 93.978 13.407 0.784 1.00 1.42 O ATOM 0 H SER A 437 93.594 10.825 0.131 1.00 0.84 H new ATOM 0 HA SER A 437 96.390 11.634 -0.700 1.00 0.81 H new ATOM 0 HB2 SER A 437 95.506 13.871 -0.530 1.00 0.80 H new ATOM 0 HB3 SER A 437 94.160 12.997 -1.234 1.00 0.80 H new ATOM 0 HG SER A 437 93.515 14.255 0.620 1.00 1.42 H new ATOM 1870 N ARG A 438 95.677 10.641 2.091 1.00 0.53 N ATOM 1871 CA ARG A 438 96.085 10.580 3.527 1.00 0.62 C ATOM 1872 C ARG A 438 96.941 9.333 3.783 1.00 0.65 C ATOM 1873 O ARG A 438 96.709 8.283 3.217 1.00 0.69 O ATOM 1874 CB ARG A 438 94.773 10.505 4.304 1.00 0.78 C ATOM 1875 CG ARG A 438 94.205 9.090 4.209 1.00 1.34 C ATOM 1876 CD ARG A 438 92.742 9.097 4.644 1.00 1.53 C ATOM 1877 NE ARG A 438 92.335 7.665 4.655 1.00 2.25 N ATOM 1878 CZ ARG A 438 91.191 7.310 5.178 1.00 2.95 C ATOM 1879 NH1 ARG A 438 90.395 8.210 5.694 1.00 3.49 N ATOM 1880 NH2 ARG A 438 90.842 6.053 5.184 1.00 3.52 N ATOM 0 H ARG A 438 95.169 9.827 1.745 1.00 0.53 H new ATOM 0 HA ARG A 438 96.686 11.439 3.825 1.00 0.62 H new ATOM 0 HB2 ARG A 438 94.940 10.772 5.348 1.00 0.78 H new ATOM 0 HB3 ARG A 438 94.058 11.223 3.902 1.00 0.78 H new ATOM 0 HG2 ARG A 438 94.290 8.721 3.187 1.00 1.34 H new ATOM 0 HG3 ARG A 438 94.780 8.413 4.841 1.00 1.34 H new ATOM 0 HD2 ARG A 438 92.626 9.548 5.630 1.00 1.53 H new ATOM 0 HD3 ARG A 438 92.128 9.676 3.954 1.00 1.53 H new ATOM 0 HE ARG A 438 92.951 6.958 4.253 1.00 2.25 H new ATOM 0 HH11 ARG A 438 90.666 9.193 5.689 1.00 3.49 H new ATOM 0 HH12 ARG A 438 89.503 7.929 6.101 1.00 3.49 H new ATOM 0 HH21 ARG A 438 91.461 5.350 4.781 1.00 3.52 H new ATOM 0 HH22 ARG A 438 89.950 5.773 5.592 1.00 3.52 H new ATOM 1894 N VAL A 439 97.965 9.465 4.577 1.00 0.67 N ATOM 1895 CA VAL A 439 98.900 8.322 4.796 1.00 0.74 C ATOM 1896 C VAL A 439 98.317 7.318 5.792 1.00 0.93 C ATOM 1897 O VAL A 439 97.927 7.668 6.889 1.00 1.41 O ATOM 1898 CB VAL A 439 100.169 8.957 5.363 1.00 0.89 C ATOM 1899 CG1 VAL A 439 101.249 7.886 5.521 1.00 0.99 C ATOM 1900 CG2 VAL A 439 100.665 10.043 4.407 1.00 0.86 C ATOM 0 H VAL A 439 98.198 10.317 5.087 1.00 0.67 H new ATOM 0 HA VAL A 439 99.086 7.770 3.875 1.00 0.74 H new ATOM 0 HB VAL A 439 99.951 9.399 6.335 1.00 0.89 H new ATOM 0 HG11 VAL A 439 102.154 8.339 5.925 1.00 0.99 H new ATOM 0 HG12 VAL A 439 100.896 7.111 6.201 1.00 0.99 H new ATOM 0 HG13 VAL A 439 101.468 7.444 4.549 1.00 0.99 H new ATOM 0 HG21 VAL A 439 101.570 10.497 4.810 1.00 0.86 H new ATOM 0 HG22 VAL A 439 100.883 9.600 3.435 1.00 0.86 H new ATOM 0 HG23 VAL A 439 99.896 10.807 4.293 1.00 0.86 H new ATOM 1910 N LEU A 440 98.270 6.066 5.421 1.00 0.79 N ATOM 1911 CA LEU A 440 97.730 5.034 6.350 1.00 1.07 C ATOM 1912 C LEU A 440 98.856 4.411 7.182 1.00 0.74 C ATOM 1913 O LEU A 440 98.640 3.980 8.295 1.00 0.88 O ATOM 1914 CB LEU A 440 97.071 3.982 5.454 1.00 1.60 C ATOM 1915 CG LEU A 440 98.050 3.525 4.371 1.00 1.48 C ATOM 1916 CD1 LEU A 440 98.213 2.008 4.445 1.00 1.79 C ATOM 1917 CD2 LEU A 440 97.500 3.911 2.998 1.00 1.57 C ATOM 0 H LEU A 440 98.582 5.715 4.516 1.00 0.79 H new ATOM 0 HA LEU A 440 97.020 5.461 7.059 1.00 1.07 H new ATOM 0 HB2 LEU A 440 96.756 3.128 6.054 1.00 1.60 H new ATOM 0 HB3 LEU A 440 96.174 4.396 4.993 1.00 1.60 H new ATOM 0 HG LEU A 440 99.017 4.004 4.525 1.00 1.48 H new ATOM 0 HD11 LEU A 440 98.910 1.679 3.674 1.00 1.79 H new ATOM 0 HD12 LEU A 440 98.599 1.731 5.426 1.00 1.79 H new ATOM 0 HD13 LEU A 440 97.246 1.530 4.288 1.00 1.79 H new ATOM 0 HD21 LEU A 440 98.195 3.587 2.223 1.00 1.57 H new ATOM 0 HD22 LEU A 440 96.535 3.429 2.844 1.00 1.57 H new ATOM 0 HD23 LEU A 440 97.378 4.993 2.946 1.00 1.57 H new ATOM 1929 N GLY A 441 100.058 4.353 6.661 1.00 0.64 N ATOM 1930 CA GLY A 441 101.169 3.747 7.459 1.00 1.02 C ATOM 1931 C GLY A 441 102.490 3.804 6.686 1.00 0.82 C ATOM 1932 O GLY A 441 102.556 4.280 5.572 1.00 0.96 O ATOM 0 H GLY A 441 100.315 4.693 5.734 1.00 0.64 H new ATOM 0 HA2 GLY A 441 101.274 4.277 8.406 1.00 1.02 H new ATOM 0 HA3 GLY A 441 100.927 2.711 7.699 1.00 1.02 H new ATOM 1936 N VAL A 442 103.549 3.321 7.287 1.00 0.56 N ATOM 1937 CA VAL A 442 104.885 3.339 6.616 1.00 0.44 C ATOM 1938 C VAL A 442 105.456 1.917 6.557 1.00 0.41 C ATOM 1939 O VAL A 442 105.094 1.064 7.344 1.00 0.41 O ATOM 1940 CB VAL A 442 105.752 4.225 7.507 1.00 0.42 C ATOM 1941 CG1 VAL A 442 107.158 4.314 6.918 1.00 0.44 C ATOM 1942 CG2 VAL A 442 105.138 5.624 7.583 1.00 0.57 C ATOM 0 H VAL A 442 103.545 2.912 8.221 1.00 0.56 H new ATOM 0 HA VAL A 442 104.837 3.709 5.592 1.00 0.44 H new ATOM 0 HB VAL A 442 105.805 3.798 8.508 1.00 0.42 H new ATOM 0 HG11 VAL A 442 107.779 4.946 7.553 1.00 0.44 H new ATOM 0 HG12 VAL A 442 107.593 3.316 6.863 1.00 0.44 H new ATOM 0 HG13 VAL A 442 107.107 4.743 5.917 1.00 0.44 H new ATOM 0 HG21 VAL A 442 105.756 6.258 8.219 1.00 0.57 H new ATOM 0 HG22 VAL A 442 105.086 6.054 6.583 1.00 0.57 H new ATOM 0 HG23 VAL A 442 104.134 5.558 8.002 1.00 0.57 H new ATOM 1952 N ILE A 443 106.295 1.633 5.597 1.00 0.42 N ATOM 1953 CA ILE A 443 106.821 0.238 5.462 1.00 0.43 C ATOM 1954 C ILE A 443 108.349 0.220 5.477 1.00 0.44 C ATOM 1955 O ILE A 443 108.997 0.882 4.700 1.00 0.51 O ATOM 1956 CB ILE A 443 106.311 -0.258 4.109 1.00 0.47 C ATOM 1957 CG1 ILE A 443 104.819 0.050 3.973 1.00 0.51 C ATOM 1958 CG2 ILE A 443 106.528 -1.769 4.012 1.00 0.56 C ATOM 1959 CD1 ILE A 443 104.083 -0.412 5.232 1.00 1.05 C ATOM 0 H ILE A 443 106.638 2.298 4.904 1.00 0.42 H new ATOM 0 HA ILE A 443 106.489 -0.390 6.289 1.00 0.43 H new ATOM 0 HB ILE A 443 106.856 0.245 3.310 1.00 0.47 H new ATOM 0 HG12 ILE A 443 104.670 1.120 3.824 1.00 0.51 H new ATOM 0 HG13 ILE A 443 104.412 -0.453 3.096 1.00 0.51 H new ATOM 0 HG21 ILE A 443 106.166 -2.127 3.049 1.00 0.56 H new ATOM 0 HG22 ILE A 443 107.591 -1.991 4.105 1.00 0.56 H new ATOM 0 HG23 ILE A 443 105.982 -2.267 4.813 1.00 0.56 H new ATOM 0 HD11 ILE A 443 103.020 -0.192 5.134 1.00 1.05 H new ATOM 0 HD12 ILE A 443 104.221 -1.486 5.361 1.00 1.05 H new ATOM 0 HD13 ILE A 443 104.483 0.112 6.100 1.00 1.05 H new ATOM 1971 N ALA A 444 108.922 -0.584 6.321 1.00 0.40 N ATOM 1972 CA ALA A 444 110.408 -0.710 6.355 1.00 0.44 C ATOM 1973 C ALA A 444 110.851 -1.953 5.581 1.00 0.43 C ATOM 1974 O ALA A 444 110.460 -3.058 5.899 1.00 0.45 O ATOM 1975 CB ALA A 444 110.750 -0.860 7.838 1.00 0.46 C ATOM 0 H ALA A 444 108.425 -1.165 6.996 1.00 0.40 H new ATOM 0 HA ALA A 444 110.908 0.145 5.899 1.00 0.44 H new ATOM 0 HB1 ALA A 444 111.829 -0.959 7.954 1.00 0.46 H new ATOM 0 HB2 ALA A 444 110.406 0.020 8.382 1.00 0.46 H new ATOM 0 HB3 ALA A 444 110.259 -1.748 8.237 1.00 0.46 H new ATOM 1981 N LEU A 445 111.662 -1.790 4.574 1.00 0.57 N ATOM 1982 CA LEU A 445 112.127 -2.974 3.795 1.00 0.63 C ATOM 1983 C LEU A 445 113.525 -3.390 4.253 1.00 0.75 C ATOM 1984 O LEU A 445 114.409 -2.566 4.372 1.00 0.92 O ATOM 1985 CB LEU A 445 112.180 -2.505 2.341 1.00 0.81 C ATOM 1986 CG LEU A 445 110.793 -2.595 1.702 1.00 1.23 C ATOM 1987 CD1 LEU A 445 109.744 -2.018 2.654 1.00 2.11 C ATOM 1988 CD2 LEU A 445 110.785 -1.795 0.398 1.00 1.91 C ATOM 0 H LEU A 445 112.023 -0.891 4.256 1.00 0.57 H new ATOM 0 HA LEU A 445 111.467 -3.831 3.929 1.00 0.63 H new ATOM 0 HB2 LEU A 445 112.542 -1.478 2.296 1.00 0.81 H new ATOM 0 HB3 LEU A 445 112.886 -3.117 1.780 1.00 0.81 H new ATOM 0 HG LEU A 445 110.558 -3.640 1.498 1.00 1.23 H new ATOM 0 HD11 LEU A 445 108.758 -2.085 2.193 1.00 2.11 H new ATOM 0 HD12 LEU A 445 109.748 -2.583 3.586 1.00 2.11 H new ATOM 0 HD13 LEU A 445 109.977 -0.974 2.862 1.00 2.11 H new ATOM 0 HD21 LEU A 445 109.798 -1.857 -0.061 1.00 1.91 H new ATOM 0 HD22 LEU A 445 111.022 -0.752 0.609 1.00 1.91 H new ATOM 0 HD23 LEU A 445 111.529 -2.205 -0.285 1.00 1.91 H new ATOM 2000 N LYS A 446 113.769 -4.666 4.366 1.00 0.89 N ATOM 2001 CA LYS A 446 115.153 -5.131 4.645 1.00 1.15 C ATOM 2002 C LYS A 446 115.925 -5.260 3.334 1.00 1.27 C ATOM 2003 O LYS A 446 115.388 -5.676 2.326 1.00 1.87 O ATOM 2004 CB LYS A 446 114.983 -6.495 5.298 1.00 1.92 C ATOM 2005 CG LYS A 446 116.309 -6.947 5.904 1.00 2.25 C ATOM 2006 CD LYS A 446 116.132 -8.343 6.497 1.00 2.85 C ATOM 2007 CE LYS A 446 117.391 -8.736 7.273 1.00 3.64 C ATOM 2008 NZ LYS A 446 116.928 -8.962 8.670 1.00 4.48 N ATOM 0 H LYS A 446 113.071 -5.404 4.277 1.00 0.89 H new ATOM 0 HA LYS A 446 115.707 -4.442 5.282 1.00 1.15 H new ATOM 0 HB2 LYS A 446 114.217 -6.445 6.072 1.00 1.92 H new ATOM 0 HB3 LYS A 446 114.643 -7.222 4.560 1.00 1.92 H new ATOM 0 HG2 LYS A 446 117.088 -6.957 5.141 1.00 2.25 H new ATOM 0 HG3 LYS A 446 116.628 -6.247 6.676 1.00 2.25 H new ATOM 0 HD2 LYS A 446 115.265 -8.361 7.158 1.00 2.85 H new ATOM 0 HD3 LYS A 446 115.942 -9.065 5.703 1.00 2.85 H new ATOM 0 HE2 LYS A 446 117.846 -9.635 6.858 1.00 3.64 H new ATOM 0 HE3 LYS A 446 118.144 -7.949 7.229 1.00 3.64 H new ATOM 0 HZ1 LYS A 446 117.737 -9.235 9.264 1.00 4.48 H new ATOM 0 HZ2 LYS A 446 116.506 -8.087 9.042 1.00 4.48 H new ATOM 0 HZ3 LYS A 446 116.218 -9.721 8.682 1.00 4.48 H new