USER MOD reduce.3.24.130724 H: found=0, std=0, add=709, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 710 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 366 GLN : amide:sc= 0.916 K(o=3.1,f=-5.5) USER MOD Set 1.2: A 404 LYS NZ :NH3+ -155:sc= 2.23 (180deg=0.555) USER MOD Set 2.1: A 384 HIS : no HE2:sc= -0.957 K(o=-1.4,f=-3!) USER MOD Set 2.2: B 147 ASN :FLIP amide:sc= -0.408 F(o=-1.9!,f=-1.4) USER MOD Set 2.3: B 149 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 347 SER OG : rot -100:sc= 0.0085! USER MOD Set 3.2: A 370 LYS NZ :NH3+ -164:sc= 1.65 (180deg=1.43) USER MOD Single : A 318 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 321 LYS NZ :NH3+ 156:sc= -0.015 (180deg=-0.463) USER MOD Single : A 324 LYS NZ :NH3+ -162:sc= 0.115! (180deg=-0.298!) USER MOD Single : A 327 LYS NZ :NH3+ 135:sc= -0.364 (180deg=-4.21!) USER MOD Single : A 332 SER OG : rot 180:sc= 0 USER MOD Single : A 339 ASN : amide:sc= -0.275 K(o=-0.28,f=-1.3) USER MOD Single : A 340 GLN : amide:sc= 0.0624 K(o=0.062,f=-7.7!) USER MOD Single : A 341 HIS : no HD1:sc= -0.0575 X(o=-0.058,f=-0.0075) USER MOD Single : A 346 ASN : amide:sc= -1.43 K(o=-1.4,f=-7.9!) USER MOD Single : A 349 TYR OH : rot 180:sc= -0.334 USER MOD Single : A 351 THR OG1 : rot -110:sc= -0.135 USER MOD Single : A 352 LYS NZ :NH3+ 142:sc= -0.839! (180deg=-2.32!) USER MOD Single : A 360 HIS :FLIP no HD1:sc= -0.978 F(o=-1.9,f=-0.98) USER MOD Single : A 361 LYS NZ :NH3+ 165:sc= 1.19 (180deg=1.08) USER MOD Single : A 364 LYS NZ :NH3+ 173:sc= -1.07! (180deg=-1.5!) USER MOD Single : A 375 ASN : amide:sc= -0.0228 K(o=-0.023,f=-1) USER MOD Single : A 376 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 378 CYS SG : rot 32:sc= 0.15 USER MOD Single : A 383 THR OG1 : rot 80:sc= 1.05 USER MOD Single : A 389 THR OG1 : rot 94:sc= 1.25 USER MOD Single : A 392 LYS NZ :NH3+ 176:sc= 1.82 (180deg=1.73) USER MOD Single : A 393 ASN : amide:sc= 0.969 K(o=0.97,f=0) USER MOD Single : A 394 THR OG1 : rot -85:sc= -0.151 USER MOD Single : A 395 SER OG : rot 180:sc=-0.00904 USER MOD Single : A 399 TYR OH : rot 180:sc= 0 USER MOD Single : A 401 LYS NZ :NH3+ -172:sc= 1.05 (180deg=0.926) USER MOD Single : B 150 GLN : amide:sc= -0.0348 X(o=-0.035,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 318 1.787 0.748 -0.181 1.00 15.24 N ATOM 2 CA MET A 318 2.859 1.257 -1.012 1.00 35.45 C ATOM 3 C MET A 318 3.964 0.251 -0.973 1.00 64.20 C ATOM 4 O MET A 318 4.621 0.082 0.031 1.00 43.35 O ATOM 5 CB MET A 318 3.343 2.627 -0.523 1.00 50.32 C ATOM 6 CG MET A 318 4.468 3.215 -1.362 1.00 34.00 C ATOM 7 SD MET A 318 3.989 3.433 -3.083 1.00 53.42 S ATOM 8 CE MET A 318 5.506 4.101 -3.769 1.00 24.35 C ATOM 0 HA MET A 318 2.509 1.402 -2.034 1.00 35.45 H new ATOM 0 HB2 MET A 318 2.502 3.320 -0.522 1.00 50.32 H new ATOM 0 HB3 MET A 318 3.681 2.535 0.509 1.00 50.32 H new ATOM 0 HG2 MET A 318 4.766 4.177 -0.945 1.00 34.00 H new ATOM 0 HG3 MET A 318 5.339 2.561 -1.309 1.00 34.00 H new ATOM 0 HE1 MET A 318 5.371 4.291 -4.834 1.00 24.35 H new ATOM 0 HE2 MET A 318 5.754 5.034 -3.263 1.00 24.35 H new ATOM 0 HE3 MET A 318 6.315 3.385 -3.628 1.00 24.35 H new ATOM 20 N GLU A 319 4.093 -0.464 -2.015 1.00 41.40 N ATOM 21 CA GLU A 319 5.046 -1.502 -2.109 1.00 21.25 C ATOM 22 C GLU A 319 6.090 -1.256 -3.151 1.00 41.32 C ATOM 23 O GLU A 319 5.812 -0.832 -4.269 1.00 70.24 O ATOM 24 CB GLU A 319 4.421 -2.909 -2.090 1.00 32.13 C ATOM 25 CG GLU A 319 3.038 -3.021 -2.725 1.00 21.33 C ATOM 26 CD GLU A 319 1.923 -2.579 -1.743 1.00 53.32 C ATOM 27 OE1 GLU A 319 1.520 -3.393 -0.897 1.00 31.20 O ATOM 28 OE2 GLU A 319 1.486 -1.394 -1.760 1.00 44.33 O ATOM 0 H GLU A 319 3.525 -0.345 -2.854 1.00 41.40 H new ATOM 0 HA GLU A 319 5.620 -1.481 -1.182 1.00 21.25 H new ATOM 0 HB2 GLU A 319 5.095 -3.594 -2.605 1.00 32.13 H new ATOM 0 HB3 GLU A 319 4.355 -3.244 -1.055 1.00 32.13 H new ATOM 0 HG2 GLU A 319 2.998 -2.405 -3.623 1.00 21.33 H new ATOM 0 HG3 GLU A 319 2.862 -4.051 -3.037 1.00 21.33 H new ATOM 35 N ILE A 320 7.287 -1.494 -2.737 1.00 34.02 N ATOM 36 CA ILE A 320 8.476 -1.120 -3.427 1.00 23.11 C ATOM 37 C ILE A 320 9.416 -2.316 -3.547 1.00 21.20 C ATOM 38 O ILE A 320 9.859 -2.876 -2.551 1.00 52.52 O ATOM 39 CB ILE A 320 9.193 -0.029 -2.589 1.00 12.12 C ATOM 40 CG1 ILE A 320 8.256 1.176 -2.367 1.00 60.31 C ATOM 41 CG2 ILE A 320 10.467 0.412 -3.280 1.00 52.33 C ATOM 42 CD1 ILE A 320 8.780 2.224 -1.407 1.00 23.43 C ATOM 0 H ILE A 320 7.474 -1.981 -1.861 1.00 34.02 H new ATOM 0 HA ILE A 320 8.219 -0.759 -4.423 1.00 23.11 H new ATOM 0 HB ILE A 320 9.454 -0.450 -1.618 1.00 12.12 H new ATOM 0 HG12 ILE A 320 8.064 1.650 -3.330 1.00 60.31 H new ATOM 0 HG13 ILE A 320 7.299 0.810 -1.995 1.00 60.31 H new ATOM 0 HG21 ILE A 320 10.960 1.178 -2.681 1.00 52.33 H new ATOM 0 HG22 ILE A 320 11.133 -0.443 -3.395 1.00 52.33 H new ATOM 0 HG23 ILE A 320 10.226 0.819 -4.262 1.00 52.33 H new ATOM 0 HD11 ILE A 320 8.052 3.030 -1.316 1.00 23.43 H new ATOM 0 HD12 ILE A 320 8.945 1.772 -0.429 1.00 23.43 H new ATOM 0 HD13 ILE A 320 9.721 2.625 -1.784 1.00 23.43 H new ATOM 54 N LYS A 321 9.665 -2.721 -4.745 1.00 2.12 N ATOM 55 CA LYS A 321 10.651 -3.742 -5.022 1.00 71.51 C ATOM 56 C LYS A 321 12.033 -3.138 -4.904 1.00 33.35 C ATOM 57 O LYS A 321 12.274 -2.068 -5.440 1.00 74.12 O ATOM 58 CB LYS A 321 10.439 -4.278 -6.420 1.00 62.43 C ATOM 59 CG LYS A 321 11.639 -5.025 -6.989 1.00 74.24 C ATOM 60 CD LYS A 321 11.853 -4.694 -8.456 1.00 22.11 C ATOM 61 CE LYS A 321 12.080 -3.182 -8.684 1.00 74.21 C ATOM 62 NZ LYS A 321 13.256 -2.631 -7.957 1.00 2.30 N ATOM 0 H LYS A 321 9.194 -2.359 -5.574 1.00 2.12 H new ATOM 0 HA LYS A 321 10.551 -4.560 -4.308 1.00 71.51 H new ATOM 0 HB2 LYS A 321 9.578 -4.946 -6.415 1.00 62.43 H new ATOM 0 HB3 LYS A 321 10.194 -3.448 -7.082 1.00 62.43 H new ATOM 0 HG2 LYS A 321 12.533 -4.766 -6.422 1.00 74.24 H new ATOM 0 HG3 LYS A 321 11.489 -6.099 -6.875 1.00 74.24 H new ATOM 0 HD2 LYS A 321 12.712 -5.250 -8.831 1.00 22.11 H new ATOM 0 HD3 LYS A 321 10.987 -5.021 -9.031 1.00 22.11 H new ATOM 0 HE2 LYS A 321 12.208 -3.001 -9.751 1.00 74.21 H new ATOM 0 HE3 LYS A 321 11.187 -2.640 -8.373 1.00 74.21 H new ATOM 0 HZ1 LYS A 321 13.592 -1.773 -8.440 1.00 2.30 H new ATOM 0 HZ2 LYS A 321 12.982 -2.395 -6.982 1.00 2.30 H new ATOM 0 HZ3 LYS A 321 14.017 -3.340 -7.940 1.00 2.30 H new ATOM 76 N LEU A 322 12.921 -3.830 -4.242 1.00 72.12 N ATOM 77 CA LEU A 322 14.279 -3.373 -4.042 1.00 24.52 C ATOM 78 C LEU A 322 15.254 -4.473 -4.379 1.00 12.55 C ATOM 79 O LEU A 322 14.907 -5.643 -4.326 1.00 10.15 O ATOM 80 CB LEU A 322 14.486 -2.972 -2.582 1.00 51.00 C ATOM 81 CG LEU A 322 13.639 -1.824 -2.077 1.00 42.13 C ATOM 82 CD1 LEU A 322 13.849 -1.626 -0.594 1.00 4.03 C ATOM 83 CD2 LEU A 322 14.002 -0.574 -2.816 1.00 63.44 C ATOM 0 H LEU A 322 12.724 -4.738 -3.820 1.00 72.12 H new ATOM 0 HA LEU A 322 14.451 -2.515 -4.692 1.00 24.52 H new ATOM 0 HB2 LEU A 322 14.290 -3.843 -1.957 1.00 51.00 H new ATOM 0 HB3 LEU A 322 15.535 -2.710 -2.444 1.00 51.00 H new ATOM 0 HG LEU A 322 12.588 -2.056 -2.249 1.00 42.13 H new ATOM 0 HD11 LEU A 322 13.233 -0.797 -0.247 1.00 4.03 H new ATOM 0 HD12 LEU A 322 13.568 -2.535 -0.062 1.00 4.03 H new ATOM 0 HD13 LEU A 322 14.899 -1.403 -0.402 1.00 4.03 H new ATOM 0 HD21 LEU A 322 13.392 0.253 -2.453 1.00 63.44 H new ATOM 0 HD22 LEU A 322 15.056 -0.348 -2.652 1.00 63.44 H new ATOM 0 HD23 LEU A 322 13.823 -0.716 -3.882 1.00 63.44 H new ATOM 95 N ILE A 323 16.427 -4.097 -4.786 1.00 33.41 N ATOM 96 CA ILE A 323 17.525 -5.038 -4.978 1.00 14.45 C ATOM 97 C ILE A 323 18.513 -4.860 -3.822 1.00 70.45 C ATOM 98 O ILE A 323 19.142 -3.816 -3.707 1.00 63.34 O ATOM 99 CB ILE A 323 18.285 -4.829 -6.362 1.00 25.53 C ATOM 100 CG1 ILE A 323 17.401 -5.149 -7.599 1.00 61.33 C ATOM 101 CG2 ILE A 323 19.587 -5.627 -6.430 1.00 2.41 C ATOM 102 CD1 ILE A 323 16.284 -4.171 -7.886 1.00 51.41 C ATOM 0 H ILE A 323 16.667 -3.129 -4.999 1.00 33.41 H new ATOM 0 HA ILE A 323 17.108 -6.045 -4.998 1.00 14.45 H new ATOM 0 HB ILE A 323 18.525 -3.766 -6.397 1.00 25.53 H new ATOM 0 HG12 ILE A 323 18.045 -5.202 -8.477 1.00 61.33 H new ATOM 0 HG13 ILE A 323 16.965 -6.139 -7.463 1.00 61.33 H new ATOM 0 HG21 ILE A 323 20.070 -5.453 -7.391 1.00 2.41 H new ATOM 0 HG22 ILE A 323 20.251 -5.308 -5.627 1.00 2.41 H new ATOM 0 HG23 ILE A 323 19.369 -6.689 -6.320 1.00 2.41 H new ATOM 0 HD11 ILE A 323 15.735 -4.495 -8.770 1.00 51.41 H new ATOM 0 HD12 ILE A 323 15.607 -4.131 -7.033 1.00 51.41 H new ATOM 0 HD13 ILE A 323 16.704 -3.181 -8.062 1.00 51.41 H new ATOM 114 N LYS A 324 18.607 -5.839 -2.933 1.00 62.44 N ATOM 115 CA LYS A 324 19.571 -5.737 -1.848 1.00 63.54 C ATOM 116 C LYS A 324 20.961 -6.038 -2.358 1.00 53.21 C ATOM 117 O LYS A 324 21.171 -7.062 -2.950 1.00 53.51 O ATOM 118 CB LYS A 324 19.240 -6.631 -0.641 1.00 21.52 C ATOM 119 CG LYS A 324 20.197 -6.349 0.501 1.00 5.12 C ATOM 120 CD LYS A 324 19.821 -6.995 1.813 1.00 45.11 C ATOM 121 CE LYS A 324 20.714 -6.464 2.935 1.00 3.05 C ATOM 122 NZ LYS A 324 20.246 -6.874 4.273 1.00 51.05 N ATOM 0 H LYS A 324 18.045 -6.690 -2.939 1.00 62.44 H new ATOM 0 HA LYS A 324 19.520 -4.710 -1.487 1.00 63.54 H new ATOM 0 HB2 LYS A 324 18.215 -6.452 -0.318 1.00 21.52 H new ATOM 0 HB3 LYS A 324 19.305 -7.680 -0.928 1.00 21.52 H new ATOM 0 HG2 LYS A 324 21.192 -6.690 0.216 1.00 5.12 H new ATOM 0 HG3 LYS A 324 20.259 -5.271 0.647 1.00 5.12 H new ATOM 0 HD2 LYS A 324 18.775 -6.790 2.042 1.00 45.11 H new ATOM 0 HD3 LYS A 324 19.924 -8.077 1.737 1.00 45.11 H new ATOM 0 HE2 LYS A 324 21.732 -6.822 2.785 1.00 3.05 H new ATOM 0 HE3 LYS A 324 20.748 -5.376 2.883 1.00 3.05 H new ATOM 0 HZ1 LYS A 324 20.678 -6.262 4.994 1.00 51.05 H new ATOM 0 HZ2 LYS A 324 19.211 -6.787 4.320 1.00 51.05 H new ATOM 0 HZ3 LYS A 324 20.519 -7.862 4.449 1.00 51.05 H new ATOM 136 N GLY A 325 21.898 -5.192 -2.058 1.00 11.32 N ATOM 137 CA GLY A 325 23.225 -5.387 -2.570 1.00 23.13 C ATOM 138 C GLY A 325 24.272 -5.208 -1.501 1.00 25.30 C ATOM 139 O GLY A 325 23.942 -5.197 -0.316 1.00 22.44 O ATOM 0 H GLY A 325 21.775 -4.369 -1.469 1.00 11.32 H new ATOM 0 HA2 GLY A 325 23.307 -6.388 -2.994 1.00 23.13 H new ATOM 0 HA3 GLY A 325 23.409 -4.681 -3.380 1.00 23.13 H new ATOM 143 N PRO A 326 25.548 -5.031 -1.889 1.00 44.13 N ATOM 144 CA PRO A 326 26.685 -4.882 -0.945 1.00 0.30 C ATOM 145 C PRO A 326 26.596 -3.629 -0.061 1.00 5.15 C ATOM 146 O PRO A 326 27.325 -3.495 0.904 1.00 43.30 O ATOM 147 CB PRO A 326 27.912 -4.783 -1.867 1.00 53.31 C ATOM 148 CG PRO A 326 27.463 -5.319 -3.185 1.00 43.15 C ATOM 149 CD PRO A 326 26.000 -5.006 -3.291 1.00 73.41 C ATOM 0 HA PRO A 326 26.712 -5.714 -0.241 1.00 0.30 H new ATOM 0 HB2 PRO A 326 28.253 -3.752 -1.958 1.00 53.31 H new ATOM 0 HB3 PRO A 326 28.748 -5.361 -1.472 1.00 53.31 H new ATOM 0 HG2 PRO A 326 28.019 -4.859 -4.002 1.00 43.15 H new ATOM 0 HG3 PRO A 326 27.636 -6.393 -3.247 1.00 43.15 H new ATOM 0 HD2 PRO A 326 25.829 -4.033 -3.752 1.00 73.41 H new ATOM 0 HD3 PRO A 326 25.473 -5.743 -3.897 1.00 73.41 H new ATOM 157 N LYS A 327 25.705 -2.725 -0.409 1.00 63.33 N ATOM 158 CA LYS A 327 25.527 -1.495 0.346 1.00 63.33 C ATOM 159 C LYS A 327 24.245 -1.619 1.208 1.00 52.33 C ATOM 160 O LYS A 327 23.776 -0.665 1.833 1.00 25.43 O ATOM 161 CB LYS A 327 25.492 -0.302 -0.652 1.00 21.22 C ATOM 162 CG LYS A 327 25.574 1.093 -0.032 1.00 45.33 C ATOM 163 CD LYS A 327 25.907 2.157 -1.101 1.00 5.03 C ATOM 164 CE LYS A 327 25.955 3.580 -0.525 1.00 13.04 C ATOM 165 NZ LYS A 327 26.324 4.619 -1.562 1.00 22.12 N ATOM 0 H LYS A 327 25.087 -2.817 -1.215 1.00 63.33 H new ATOM 0 HA LYS A 327 26.354 -1.314 1.033 1.00 63.33 H new ATOM 0 HB2 LYS A 327 26.319 -0.416 -1.353 1.00 21.22 H new ATOM 0 HB3 LYS A 327 24.572 -0.366 -1.232 1.00 21.22 H new ATOM 0 HG2 LYS A 327 24.626 1.338 0.447 1.00 45.33 H new ATOM 0 HG3 LYS A 327 26.337 1.104 0.747 1.00 45.33 H new ATOM 0 HD2 LYS A 327 26.869 1.921 -1.556 1.00 5.03 H new ATOM 0 HD3 LYS A 327 25.161 2.115 -1.894 1.00 5.03 H new ATOM 0 HE2 LYS A 327 24.983 3.828 -0.099 1.00 13.04 H new ATOM 0 HE3 LYS A 327 26.678 3.613 0.290 1.00 13.04 H new ATOM 0 HZ1 LYS A 327 25.691 5.439 -1.472 1.00 22.12 H new ATOM 0 HZ2 LYS A 327 27.307 4.923 -1.414 1.00 22.12 H new ATOM 0 HZ3 LYS A 327 26.228 4.210 -2.513 1.00 22.12 H new ATOM 179 N GLY A 328 23.690 -2.824 1.191 1.00 1.14 N ATOM 180 CA GLY A 328 22.513 -3.158 1.968 1.00 51.13 C ATOM 181 C GLY A 328 21.279 -2.734 1.243 1.00 43.53 C ATOM 182 O GLY A 328 21.258 -2.723 0.000 1.00 23.41 O ATOM 0 H GLY A 328 24.049 -3.599 0.633 1.00 1.14 H new ATOM 0 HA2 GLY A 328 22.484 -4.232 2.154 1.00 51.13 H new ATOM 0 HA3 GLY A 328 22.559 -2.667 2.940 1.00 51.13 H new ATOM 186 N LEU A 329 20.229 -2.415 1.985 1.00 33.04 N ATOM 187 CA LEU A 329 19.107 -1.729 1.367 1.00 22.42 C ATOM 188 C LEU A 329 19.402 -0.245 1.452 1.00 32.41 C ATOM 189 O LEU A 329 18.796 0.579 0.758 1.00 71.14 O ATOM 190 CB LEU A 329 17.731 -2.029 1.996 1.00 33.35 C ATOM 191 CG LEU A 329 17.194 -3.466 1.926 1.00 2.35 C ATOM 192 CD1 LEU A 329 17.835 -4.347 2.958 1.00 0.14 C ATOM 193 CD2 LEU A 329 15.688 -3.484 2.071 1.00 13.05 C ATOM 0 H LEU A 329 20.131 -2.612 2.981 1.00 33.04 H new ATOM 0 HA LEU A 329 19.021 -2.089 0.342 1.00 22.42 H new ATOM 0 HB2 LEU A 329 17.777 -1.742 3.047 1.00 33.35 H new ATOM 0 HB3 LEU A 329 16.999 -1.377 1.519 1.00 33.35 H new ATOM 0 HG LEU A 329 17.453 -3.865 0.945 1.00 2.35 H new ATOM 0 HD11 LEU A 329 17.430 -5.356 2.878 1.00 0.14 H new ATOM 0 HD12 LEU A 329 18.912 -4.375 2.794 1.00 0.14 H new ATOM 0 HD13 LEU A 329 17.629 -3.951 3.953 1.00 0.14 H new ATOM 0 HD21 LEU A 329 15.330 -4.512 2.018 1.00 13.05 H new ATOM 0 HD22 LEU A 329 15.410 -3.051 3.032 1.00 13.05 H new ATOM 0 HD23 LEU A 329 15.238 -2.901 1.267 1.00 13.05 H new ATOM 205 N GLY A 330 20.358 0.067 2.328 1.00 34.53 N ATOM 206 CA GLY A 330 20.878 1.391 2.476 1.00 61.32 C ATOM 207 C GLY A 330 20.020 2.319 3.279 1.00 0.54 C ATOM 208 O GLY A 330 19.899 3.483 2.943 1.00 55.03 O ATOM 0 H GLY A 330 20.786 -0.615 2.954 1.00 34.53 H new ATOM 0 HA2 GLY A 330 21.860 1.330 2.945 1.00 61.32 H new ATOM 0 HA3 GLY A 330 21.025 1.821 1.485 1.00 61.32 H new ATOM 212 N PHE A 331 19.428 1.834 4.330 1.00 3.34 N ATOM 213 CA PHE A 331 18.672 2.699 5.203 1.00 45.42 C ATOM 214 C PHE A 331 18.676 2.161 6.612 1.00 55.45 C ATOM 215 O PHE A 331 19.074 1.011 6.840 1.00 44.31 O ATOM 216 CB PHE A 331 17.242 2.992 4.680 1.00 22.25 C ATOM 217 CG PHE A 331 16.297 1.834 4.589 1.00 2.52 C ATOM 218 CD1 PHE A 331 16.260 1.040 3.468 1.00 34.52 C ATOM 219 CD2 PHE A 331 15.408 1.576 5.611 1.00 5.10 C ATOM 220 CE1 PHE A 331 15.356 0.008 3.367 1.00 5.24 C ATOM 221 CE2 PHE A 331 14.511 0.540 5.516 1.00 12.34 C ATOM 222 CZ PHE A 331 14.484 -0.241 4.392 1.00 3.34 C ATOM 0 H PHE A 331 19.450 0.853 4.607 1.00 3.34 H new ATOM 0 HA PHE A 331 19.172 3.668 5.213 1.00 45.42 H new ATOM 0 HB2 PHE A 331 16.793 3.745 5.328 1.00 22.25 H new ATOM 0 HB3 PHE A 331 17.329 3.436 3.688 1.00 22.25 H new ATOM 0 HD1 PHE A 331 16.948 1.228 2.657 1.00 34.52 H new ATOM 0 HD2 PHE A 331 15.417 2.195 6.496 1.00 5.10 H new ATOM 0 HE1 PHE A 331 15.334 -0.606 2.479 1.00 5.24 H new ATOM 0 HE2 PHE A 331 13.827 0.342 6.328 1.00 12.34 H new ATOM 0 HZ PHE A 331 13.776 -1.052 4.314 1.00 3.34 H new ATOM 232 N SER A 332 18.281 2.980 7.550 1.00 5.33 N ATOM 233 CA SER A 332 18.269 2.597 8.930 1.00 44.53 C ATOM 234 C SER A 332 16.856 2.729 9.488 1.00 61.55 C ATOM 235 O SER A 332 16.164 3.708 9.192 1.00 43.44 O ATOM 236 CB SER A 332 19.246 3.458 9.716 1.00 60.15 C ATOM 237 OG SER A 332 20.500 3.476 9.041 1.00 53.25 O ATOM 0 H SER A 332 17.959 3.932 7.375 1.00 5.33 H new ATOM 0 HA SER A 332 18.581 1.557 9.021 1.00 44.53 H new ATOM 0 HB2 SER A 332 18.858 4.472 9.815 1.00 60.15 H new ATOM 0 HB3 SER A 332 19.368 3.063 10.725 1.00 60.15 H new ATOM 0 HG SER A 332 21.133 4.031 9.542 1.00 53.25 H new ATOM 243 N ILE A 333 16.422 1.748 10.241 1.00 41.25 N ATOM 244 CA ILE A 333 15.082 1.736 10.818 1.00 45.32 C ATOM 245 C ILE A 333 15.123 1.686 12.344 1.00 31.10 C ATOM 246 O ILE A 333 16.077 1.195 12.912 1.00 34.04 O ATOM 247 CB ILE A 333 14.241 0.532 10.291 1.00 13.21 C ATOM 248 CG1 ILE A 333 15.044 -0.782 10.400 1.00 51.31 C ATOM 249 CG2 ILE A 333 13.786 0.781 8.869 1.00 25.34 C ATOM 250 CD1 ILE A 333 14.245 -2.032 10.102 1.00 51.43 C ATOM 0 H ILE A 333 16.983 0.929 10.477 1.00 41.25 H new ATOM 0 HA ILE A 333 14.607 2.667 10.507 1.00 45.32 H new ATOM 0 HB ILE A 333 13.352 0.432 10.914 1.00 13.21 H new ATOM 0 HG12 ILE A 333 15.890 -0.734 9.714 1.00 51.31 H new ATOM 0 HG13 ILE A 333 15.454 -0.860 11.407 1.00 51.31 H new ATOM 0 HG21 ILE A 333 13.201 -0.070 8.520 1.00 25.34 H new ATOM 0 HG22 ILE A 333 13.172 1.681 8.836 1.00 25.34 H new ATOM 0 HG23 ILE A 333 14.656 0.911 8.226 1.00 25.34 H new ATOM 0 HD11 ILE A 333 14.887 -2.907 10.202 1.00 51.43 H new ATOM 0 HD12 ILE A 333 13.415 -2.109 10.804 1.00 51.43 H new ATOM 0 HD13 ILE A 333 13.857 -1.982 9.085 1.00 51.43 H new ATOM 262 N ALA A 334 14.085 2.216 12.959 1.00 33.51 N ATOM 263 CA ALA A 334 13.832 2.236 14.406 1.00 74.02 C ATOM 264 C ALA A 334 12.330 2.209 14.540 1.00 0.31 C ATOM 265 O ALA A 334 11.638 3.103 14.051 1.00 52.03 O ATOM 266 CB ALA A 334 14.366 3.535 15.010 1.00 51.22 C ATOM 0 H ALA A 334 13.340 2.677 12.437 1.00 33.51 H new ATOM 0 HA ALA A 334 14.315 1.403 14.916 1.00 74.02 H new ATOM 0 HB1 ALA A 334 14.175 3.543 16.083 1.00 51.22 H new ATOM 0 HB2 ALA A 334 15.439 3.605 14.832 1.00 51.22 H new ATOM 0 HB3 ALA A 334 13.865 4.385 14.546 1.00 51.22 H new ATOM 272 N GLY A 335 11.829 1.159 15.088 1.00 63.23 N ATOM 273 CA GLY A 335 10.418 1.014 15.259 1.00 71.21 C ATOM 274 C GLY A 335 10.087 -0.414 15.505 1.00 73.32 C ATOM 275 O GLY A 335 10.865 -1.282 15.134 1.00 63.13 O ATOM 0 H GLY A 335 12.381 0.374 15.432 1.00 63.23 H new ATOM 0 HA2 GLY A 335 10.079 1.625 16.095 1.00 71.21 H new ATOM 0 HA3 GLY A 335 9.896 1.371 14.371 1.00 71.21 H new ATOM 279 N GLY A 336 8.983 -0.664 16.131 1.00 24.22 N ATOM 280 CA GLY A 336 8.575 -2.005 16.445 1.00 25.22 C ATOM 281 C GLY A 336 8.102 -2.047 17.851 1.00 35.32 C ATOM 282 O GLY A 336 8.051 -0.993 18.483 1.00 42.35 O ATOM 0 H GLY A 336 8.332 0.056 16.443 1.00 24.22 H new ATOM 0 HA2 GLY A 336 7.781 -2.325 15.770 1.00 25.22 H new ATOM 0 HA3 GLY A 336 9.408 -2.695 16.307 1.00 25.22 H new ATOM 286 N VAL A 337 7.782 -3.231 18.354 1.00 1.43 N ATOM 287 CA VAL A 337 7.311 -3.399 19.735 1.00 22.10 C ATOM 288 C VAL A 337 8.256 -2.733 20.740 1.00 31.34 C ATOM 289 O VAL A 337 9.404 -3.147 20.912 1.00 44.20 O ATOM 290 CB VAL A 337 7.095 -4.896 20.111 1.00 11.31 C ATOM 291 CG1 VAL A 337 6.700 -5.049 21.579 1.00 22.00 C ATOM 292 CG2 VAL A 337 6.021 -5.504 19.240 1.00 42.22 C ATOM 0 H VAL A 337 7.839 -4.102 17.826 1.00 1.43 H new ATOM 0 HA VAL A 337 6.343 -2.901 19.787 1.00 22.10 H new ATOM 0 HB VAL A 337 8.039 -5.416 19.949 1.00 11.31 H new ATOM 0 HG11 VAL A 337 6.557 -6.105 21.809 1.00 22.00 H new ATOM 0 HG12 VAL A 337 7.489 -4.643 22.212 1.00 22.00 H new ATOM 0 HG13 VAL A 337 5.772 -4.508 21.764 1.00 22.00 H new ATOM 0 HG21 VAL A 337 5.880 -6.550 19.513 1.00 42.22 H new ATOM 0 HG22 VAL A 337 5.086 -4.962 19.384 1.00 42.22 H new ATOM 0 HG23 VAL A 337 6.321 -5.439 18.194 1.00 42.22 H new ATOM 302 N GLY A 338 7.787 -1.635 21.309 1.00 4.04 N ATOM 303 CA GLY A 338 8.535 -0.924 22.324 1.00 32.43 C ATOM 304 C GLY A 338 9.424 0.162 21.746 1.00 61.14 C ATOM 305 O GLY A 338 9.847 1.082 22.459 1.00 11.12 O ATOM 0 H GLY A 338 6.885 -1.217 21.081 1.00 4.04 H new ATOM 0 HA2 GLY A 338 7.840 -0.478 23.036 1.00 32.43 H new ATOM 0 HA3 GLY A 338 9.149 -1.633 22.880 1.00 32.43 H new ATOM 309 N ASN A 339 9.743 0.043 20.489 1.00 53.21 N ATOM 310 CA ASN A 339 10.567 1.025 19.800 1.00 72.31 C ATOM 311 C ASN A 339 9.690 1.841 18.850 1.00 62.44 C ATOM 312 O ASN A 339 10.152 2.357 17.854 1.00 23.51 O ATOM 313 CB ASN A 339 11.754 0.328 19.070 1.00 22.40 C ATOM 314 CG ASN A 339 12.777 1.318 18.473 1.00 54.52 C ATOM 315 OD1 ASN A 339 12.861 2.452 18.910 1.00 4.21 O ATOM 316 ND2 ASN A 339 13.666 0.848 17.615 1.00 11.34 N ATOM 0 H ASN A 339 9.444 -0.735 19.902 1.00 53.21 H new ATOM 0 HA ASN A 339 11.009 1.713 20.521 1.00 72.31 H new ATOM 0 HB2 ASN A 339 12.265 -0.331 19.772 1.00 22.40 H new ATOM 0 HB3 ASN A 339 11.360 -0.301 18.271 1.00 22.40 H new ATOM 0 HD21 ASN A 339 14.439 1.438 17.308 1.00 11.34 H new ATOM 0 HD22 ASN A 339 13.579 -0.104 17.260 1.00 11.34 H new ATOM 323 N GLN A 340 8.411 1.944 19.187 1.00 44.45 N ATOM 324 CA GLN A 340 7.449 2.666 18.383 1.00 3.20 C ATOM 325 C GLN A 340 7.916 4.113 18.146 1.00 55.13 C ATOM 326 O GLN A 340 8.164 4.870 19.090 1.00 11.22 O ATOM 327 CB GLN A 340 6.032 2.559 19.012 1.00 55.34 C ATOM 328 CG GLN A 340 5.826 3.228 20.373 1.00 54.02 C ATOM 329 CD GLN A 340 5.055 4.539 20.282 1.00 50.23 C ATOM 330 OE1 GLN A 340 3.826 4.569 20.384 1.00 21.10 O ATOM 331 NE2 GLN A 340 5.749 5.609 20.051 1.00 51.13 N ATOM 0 H GLN A 340 8.016 1.526 20.029 1.00 44.45 H new ATOM 0 HA GLN A 340 7.380 2.210 17.395 1.00 3.20 H new ATOM 0 HB2 GLN A 340 5.316 2.989 18.311 1.00 55.34 H new ATOM 0 HB3 GLN A 340 5.784 1.502 19.113 1.00 55.34 H new ATOM 0 HG2 GLN A 340 5.291 2.543 21.031 1.00 54.02 H new ATOM 0 HG3 GLN A 340 6.798 3.415 20.830 1.00 54.02 H new ATOM 0 HE21 GLN A 340 6.764 5.551 19.972 1.00 51.13 H new ATOM 0 HE22 GLN A 340 5.280 6.509 19.948 1.00 51.13 H new ATOM 340 N HIS A 341 8.094 4.446 16.890 1.00 1.25 N ATOM 341 CA HIS A 341 8.626 5.741 16.489 1.00 33.11 C ATOM 342 C HIS A 341 7.528 6.799 16.565 1.00 2.25 C ATOM 343 O HIS A 341 7.740 7.911 17.038 1.00 4.42 O ATOM 344 CB HIS A 341 9.188 5.617 15.060 1.00 40.13 C ATOM 345 CG HIS A 341 9.951 6.807 14.526 1.00 0.35 C ATOM 346 ND1 HIS A 341 11.304 6.786 14.250 1.00 44.14 N ATOM 347 CD2 HIS A 341 9.519 8.035 14.149 1.00 3.14 C ATOM 348 CE1 HIS A 341 11.638 7.967 13.731 1.00 13.13 C ATOM 349 NE2 HIS A 341 10.592 8.762 13.646 1.00 1.33 N ATOM 0 H HIS A 341 7.875 3.828 16.108 1.00 1.25 H new ATOM 0 HA HIS A 341 9.428 6.049 17.160 1.00 33.11 H new ATOM 0 HB2 HIS A 341 9.846 4.748 15.027 1.00 40.13 H new ATOM 0 HB3 HIS A 341 8.357 5.414 14.384 1.00 40.13 H new ATOM 0 HD2 HIS A 341 8.503 8.392 14.227 1.00 3.14 H new ATOM 0 HE1 HIS A 341 12.637 8.237 13.421 1.00 13.13 H new ATOM 0 HE2 HIS A 341 10.573 9.716 13.285 1.00 1.33 H new ATOM 357 N ILE A 342 6.355 6.432 16.128 1.00 31.44 N ATOM 358 CA ILE A 342 5.227 7.331 16.160 1.00 40.03 C ATOM 359 C ILE A 342 4.313 6.933 17.304 1.00 31.22 C ATOM 360 O ILE A 342 3.926 5.776 17.401 1.00 61.21 O ATOM 361 CB ILE A 342 4.451 7.320 14.807 1.00 35.52 C ATOM 362 CG1 ILE A 342 5.349 7.836 13.663 1.00 14.45 C ATOM 363 CG2 ILE A 342 3.151 8.126 14.885 1.00 63.44 C ATOM 364 CD1 ILE A 342 5.848 9.263 13.834 1.00 60.01 C ATOM 0 H ILE A 342 6.151 5.510 15.742 1.00 31.44 H new ATOM 0 HA ILE A 342 5.589 8.347 16.315 1.00 40.03 H new ATOM 0 HB ILE A 342 4.176 6.286 14.596 1.00 35.52 H new ATOM 0 HG12 ILE A 342 6.210 7.174 13.570 1.00 14.45 H new ATOM 0 HG13 ILE A 342 4.794 7.770 12.727 1.00 14.45 H new ATOM 0 HG21 ILE A 342 2.643 8.091 13.921 1.00 63.44 H new ATOM 0 HG22 ILE A 342 2.504 7.700 15.652 1.00 63.44 H new ATOM 0 HG23 ILE A 342 3.379 9.161 15.138 1.00 63.44 H new ATOM 0 HD11 ILE A 342 6.470 9.536 12.981 1.00 60.01 H new ATOM 0 HD12 ILE A 342 4.997 9.941 13.894 1.00 60.01 H new ATOM 0 HD13 ILE A 342 6.435 9.336 14.750 1.00 60.01 H new ATOM 376 N PRO A 343 4.029 7.876 18.240 1.00 25.21 N ATOM 377 CA PRO A 343 3.143 7.629 19.388 1.00 32.22 C ATOM 378 C PRO A 343 1.774 7.120 18.965 1.00 74.21 C ATOM 379 O PRO A 343 0.960 7.868 18.433 1.00 70.35 O ATOM 380 CB PRO A 343 3.020 9.003 20.060 1.00 1.01 C ATOM 381 CG PRO A 343 4.237 9.742 19.636 1.00 45.32 C ATOM 382 CD PRO A 343 4.556 9.258 18.251 1.00 71.22 C ATOM 0 HA PRO A 343 3.544 6.857 20.045 1.00 32.22 H new ATOM 0 HB2 PRO A 343 2.113 9.519 19.743 1.00 1.01 H new ATOM 0 HB3 PRO A 343 2.971 8.910 21.145 1.00 1.01 H new ATOM 0 HG2 PRO A 343 4.062 10.818 19.642 1.00 45.32 H new ATOM 0 HG3 PRO A 343 5.066 9.550 20.317 1.00 45.32 H new ATOM 0 HD2 PRO A 343 4.079 9.876 17.490 1.00 71.22 H new ATOM 0 HD3 PRO A 343 5.628 9.281 18.055 1.00 71.22 H new ATOM 390 N GLY A 344 1.558 5.841 19.172 1.00 4.52 N ATOM 391 CA GLY A 344 0.307 5.236 18.813 1.00 11.33 C ATOM 392 C GLY A 344 0.454 4.284 17.651 1.00 2.41 C ATOM 393 O GLY A 344 -0.495 3.592 17.285 1.00 32.32 O ATOM 0 H GLY A 344 2.237 5.203 19.588 1.00 4.52 H new ATOM 0 HA2 GLY A 344 -0.097 4.700 19.672 1.00 11.33 H new ATOM 0 HA3 GLY A 344 -0.412 6.014 18.556 1.00 11.33 H new ATOM 397 N ASP A 345 1.642 4.223 17.078 1.00 71.52 N ATOM 398 CA ASP A 345 1.878 3.354 15.942 1.00 31.35 C ATOM 399 C ASP A 345 3.121 2.509 16.213 1.00 14.33 C ATOM 400 O ASP A 345 4.264 2.960 16.053 1.00 20.03 O ATOM 401 CB ASP A 345 2.031 4.172 14.661 1.00 72.42 C ATOM 402 CG ASP A 345 1.977 3.324 13.414 1.00 23.12 C ATOM 403 OD1 ASP A 345 2.998 2.797 13.029 1.00 31.51 O ATOM 404 OD2 ASP A 345 0.901 3.221 12.772 1.00 34.22 O ATOM 0 H ASP A 345 2.454 4.762 17.379 1.00 71.52 H new ATOM 0 HA ASP A 345 1.023 2.692 15.803 1.00 31.35 H new ATOM 0 HB2 ASP A 345 1.242 4.923 14.619 1.00 72.42 H new ATOM 0 HB3 ASP A 345 2.980 4.708 14.689 1.00 72.42 H new ATOM 409 N ASN A 346 2.885 1.288 16.631 1.00 24.02 N ATOM 410 CA ASN A 346 3.919 0.364 17.125 1.00 13.23 C ATOM 411 C ASN A 346 4.640 -0.360 15.955 1.00 14.34 C ATOM 412 O ASN A 346 5.091 -1.505 16.075 1.00 21.45 O ATOM 413 CB ASN A 346 3.209 -0.635 18.058 1.00 12.20 C ATOM 414 CG ASN A 346 4.126 -1.477 18.924 1.00 63.45 C ATOM 415 OD1 ASN A 346 5.227 -1.059 19.313 1.00 32.20 O ATOM 416 ND2 ASN A 346 3.655 -2.625 19.292 1.00 71.41 N ATOM 0 H ASN A 346 1.948 0.884 16.644 1.00 24.02 H new ATOM 0 HA ASN A 346 4.697 0.906 17.663 1.00 13.23 H new ATOM 0 HB2 ASN A 346 2.531 -0.081 18.707 1.00 12.20 H new ATOM 0 HB3 ASN A 346 2.596 -1.302 17.451 1.00 12.20 H new ATOM 0 HD21 ASN A 346 4.194 -3.219 19.923 1.00 71.41 H new ATOM 0 HD22 ASN A 346 2.745 -2.936 18.951 1.00 71.41 H new ATOM 423 N SER A 347 4.813 0.347 14.874 1.00 4.33 N ATOM 424 CA SER A 347 5.397 -0.209 13.679 1.00 34.45 C ATOM 425 C SER A 347 6.845 0.242 13.453 1.00 4.53 C ATOM 426 O SER A 347 7.404 1.038 14.233 1.00 14.23 O ATOM 427 CB SER A 347 4.511 0.121 12.505 1.00 30.10 C ATOM 428 OG SER A 347 3.242 -0.494 12.676 1.00 71.05 O ATOM 0 H SER A 347 4.553 1.330 14.793 1.00 4.33 H new ATOM 0 HA SER A 347 5.455 -1.291 13.796 1.00 34.45 H new ATOM 0 HB2 SER A 347 4.394 1.201 12.418 1.00 30.10 H new ATOM 0 HB3 SER A 347 4.972 -0.225 11.580 1.00 30.10 H new ATOM 0 HG SER A 347 3.203 -1.317 12.146 1.00 71.05 H new ATOM 434 N ILE A 348 7.441 -0.277 12.390 1.00 32.54 N ATOM 435 CA ILE A 348 8.839 -0.063 12.068 1.00 73.04 C ATOM 436 C ILE A 348 8.977 1.214 11.232 1.00 73.43 C ATOM 437 O ILE A 348 8.289 1.361 10.234 1.00 33.32 O ATOM 438 CB ILE A 348 9.368 -1.244 11.213 1.00 1.33 C ATOM 439 CG1 ILE A 348 8.843 -2.614 11.718 1.00 2.05 C ATOM 440 CG2 ILE A 348 10.886 -1.235 11.166 1.00 32.32 C ATOM 441 CD1 ILE A 348 9.203 -2.980 13.137 1.00 32.40 C ATOM 0 H ILE A 348 6.955 -0.869 11.716 1.00 32.54 H new ATOM 0 HA ILE A 348 9.404 0.017 12.996 1.00 73.04 H new ATOM 0 HB ILE A 348 8.985 -1.106 10.202 1.00 1.33 H new ATOM 0 HG12 ILE A 348 7.757 -2.620 11.627 1.00 2.05 H new ATOM 0 HG13 ILE A 348 9.223 -3.392 11.056 1.00 2.05 H new ATOM 0 HG21 ILE A 348 11.236 -2.072 10.561 1.00 32.32 H new ATOM 0 HG22 ILE A 348 11.231 -0.299 10.726 1.00 32.32 H new ATOM 0 HG23 ILE A 348 11.282 -1.328 12.177 1.00 32.32 H new ATOM 0 HD11 ILE A 348 8.783 -3.956 13.379 1.00 32.40 H new ATOM 0 HD12 ILE A 348 10.288 -3.016 13.239 1.00 32.40 H new ATOM 0 HD13 ILE A 348 8.799 -2.232 13.819 1.00 32.40 H new ATOM 453 N TYR A 349 9.866 2.116 11.613 1.00 74.32 N ATOM 454 CA TYR A 349 10.008 3.373 10.885 1.00 54.02 C ATOM 455 C TYR A 349 11.411 3.628 10.395 1.00 52.33 C ATOM 456 O TYR A 349 12.391 3.391 11.100 1.00 61.51 O ATOM 457 CB TYR A 349 9.506 4.557 11.715 1.00 65.01 C ATOM 458 CG TYR A 349 8.016 4.668 11.740 1.00 10.31 C ATOM 459 CD1 TYR A 349 7.250 3.811 12.501 1.00 32.33 C ATOM 460 CD2 TYR A 349 7.374 5.620 10.973 1.00 15.05 C ATOM 461 CE1 TYR A 349 5.892 3.888 12.492 1.00 35.21 C ATOM 462 CE2 TYR A 349 6.011 5.712 10.965 1.00 44.12 C ATOM 463 CZ TYR A 349 5.275 4.836 11.723 1.00 73.02 C ATOM 464 OH TYR A 349 3.926 4.904 11.709 1.00 4.23 O ATOM 0 H TYR A 349 10.493 2.008 12.410 1.00 74.32 H new ATOM 0 HA TYR A 349 9.382 3.272 9.998 1.00 54.02 H new ATOM 0 HB2 TYR A 349 9.874 4.458 12.736 1.00 65.01 H new ATOM 0 HB3 TYR A 349 9.926 5.479 11.312 1.00 65.01 H new ATOM 0 HD1 TYR A 349 7.736 3.067 13.114 1.00 32.33 H new ATOM 0 HD2 TYR A 349 7.957 6.301 10.371 1.00 15.05 H new ATOM 0 HE1 TYR A 349 5.305 3.205 13.088 1.00 35.21 H new ATOM 0 HE2 TYR A 349 5.518 6.466 10.369 1.00 44.12 H new ATOM 0 HH TYR A 349 3.641 5.630 11.116 1.00 4.23 H new ATOM 474 N VAL A 350 11.488 4.086 9.170 1.00 74.41 N ATOM 475 CA VAL A 350 12.736 4.452 8.528 1.00 25.43 C ATOM 476 C VAL A 350 13.245 5.738 9.160 1.00 23.52 C ATOM 477 O VAL A 350 12.588 6.763 9.087 1.00 14.12 O ATOM 478 CB VAL A 350 12.525 4.669 7.008 1.00 24.22 C ATOM 479 CG1 VAL A 350 13.834 5.014 6.317 1.00 55.12 C ATOM 480 CG2 VAL A 350 11.893 3.440 6.374 1.00 73.31 C ATOM 0 H VAL A 350 10.670 4.219 8.575 1.00 74.41 H new ATOM 0 HA VAL A 350 13.461 3.649 8.662 1.00 25.43 H new ATOM 0 HB VAL A 350 11.845 5.512 6.881 1.00 24.22 H new ATOM 0 HG11 VAL A 350 13.655 5.161 5.252 1.00 55.12 H new ATOM 0 HG12 VAL A 350 14.242 5.929 6.746 1.00 55.12 H new ATOM 0 HG13 VAL A 350 14.545 4.200 6.457 1.00 55.12 H new ATOM 0 HG21 VAL A 350 11.753 3.612 5.307 1.00 73.31 H new ATOM 0 HG22 VAL A 350 12.545 2.579 6.520 1.00 73.31 H new ATOM 0 HG23 VAL A 350 10.927 3.246 6.840 1.00 73.31 H new ATOM 490 N THR A 351 14.387 5.672 9.783 1.00 20.04 N ATOM 491 CA THR A 351 14.928 6.798 10.499 1.00 23.12 C ATOM 492 C THR A 351 16.119 7.443 9.735 1.00 1.13 C ATOM 493 O THR A 351 16.485 8.600 9.990 1.00 20.10 O ATOM 494 CB THR A 351 15.335 6.334 11.908 1.00 10.21 C ATOM 495 OG1 THR A 351 14.242 5.559 12.435 1.00 23.31 O ATOM 496 CG2 THR A 351 15.573 7.521 12.836 1.00 52.21 C ATOM 0 H THR A 351 14.972 4.837 9.810 1.00 20.04 H new ATOM 0 HA THR A 351 14.168 7.575 10.583 1.00 23.12 H new ATOM 0 HB THR A 351 16.258 5.758 11.846 1.00 10.21 H new ATOM 0 HG1 THR A 351 13.809 6.055 13.161 1.00 23.31 H new ATOM 0 HG21 THR A 351 15.859 7.159 13.824 1.00 52.21 H new ATOM 0 HG22 THR A 351 16.371 8.144 12.433 1.00 52.21 H new ATOM 0 HG23 THR A 351 14.659 8.109 12.916 1.00 52.21 H new ATOM 504 N LYS A 352 16.702 6.702 8.791 1.00 72.14 N ATOM 505 CA LYS A 352 17.797 7.211 7.935 1.00 52.30 C ATOM 506 C LYS A 352 17.726 6.525 6.614 1.00 34.14 C ATOM 507 O LYS A 352 17.220 5.414 6.538 1.00 33.23 O ATOM 508 CB LYS A 352 19.201 6.875 8.483 1.00 72.02 C ATOM 509 CG LYS A 352 19.588 7.464 9.811 1.00 71.33 C ATOM 510 CD LYS A 352 19.597 8.978 9.828 1.00 64.34 C ATOM 511 CE LYS A 352 19.844 9.474 11.243 1.00 3.32 C ATOM 512 NZ LYS A 352 18.819 8.961 12.179 1.00 5.25 N ATOM 0 H LYS A 352 16.437 5.737 8.592 1.00 72.14 H new ATOM 0 HA LYS A 352 17.668 8.292 7.886 1.00 52.30 H new ATOM 0 HB2 LYS A 352 19.281 5.791 8.560 1.00 72.02 H new ATOM 0 HB3 LYS A 352 19.936 7.197 7.745 1.00 72.02 H new ATOM 0 HG2 LYS A 352 18.896 7.105 10.573 1.00 71.33 H new ATOM 0 HG3 LYS A 352 20.579 7.101 10.084 1.00 71.33 H new ATOM 0 HD2 LYS A 352 20.372 9.354 9.160 1.00 64.34 H new ATOM 0 HD3 LYS A 352 18.645 9.361 9.459 1.00 64.34 H new ATOM 0 HE2 LYS A 352 20.833 9.157 11.574 1.00 3.32 H new ATOM 0 HE3 LYS A 352 19.838 10.564 11.255 1.00 3.32 H new ATOM 0 HZ1 LYS A 352 19.265 8.731 13.090 1.00 5.25 H new ATOM 0 HZ2 LYS A 352 18.088 9.686 12.324 1.00 5.25 H new ATOM 0 HZ3 LYS A 352 18.383 8.105 11.781 1.00 5.25 H new ATOM 526 N ILE A 353 18.247 7.167 5.593 1.00 41.34 N ATOM 527 CA ILE A 353 18.406 6.568 4.289 1.00 41.21 C ATOM 528 C ILE A 353 19.762 7.001 3.757 1.00 14.00 C ATOM 529 O ILE A 353 20.045 8.195 3.666 1.00 32.14 O ATOM 530 CB ILE A 353 17.307 6.980 3.263 1.00 32.53 C ATOM 531 CG1 ILE A 353 15.905 6.664 3.792 1.00 63.11 C ATOM 532 CG2 ILE A 353 17.540 6.244 1.953 1.00 45.12 C ATOM 533 CD1 ILE A 353 14.793 7.059 2.860 1.00 30.32 C ATOM 0 H ILE A 353 18.576 8.131 5.646 1.00 41.34 H new ATOM 0 HA ILE A 353 18.319 5.488 4.407 1.00 41.21 H new ATOM 0 HB ILE A 353 17.372 8.056 3.103 1.00 32.53 H new ATOM 0 HG12 ILE A 353 15.836 5.594 3.990 1.00 63.11 H new ATOM 0 HG13 ILE A 353 15.764 7.174 4.745 1.00 63.11 H new ATOM 0 HG21 ILE A 353 16.773 6.530 1.233 1.00 45.12 H new ATOM 0 HG22 ILE A 353 18.522 6.505 1.559 1.00 45.12 H new ATOM 0 HG23 ILE A 353 17.492 5.169 2.126 1.00 45.12 H new ATOM 0 HD11 ILE A 353 13.834 6.801 3.309 1.00 30.32 H new ATOM 0 HD12 ILE A 353 14.833 8.133 2.681 1.00 30.32 H new ATOM 0 HD13 ILE A 353 14.905 6.529 1.914 1.00 30.32 H new ATOM 545 N ILE A 354 20.595 6.047 3.470 1.00 53.40 N ATOM 546 CA ILE A 354 21.920 6.294 2.957 1.00 45.31 C ATOM 547 C ILE A 354 21.805 6.428 1.450 1.00 24.51 C ATOM 548 O ILE A 354 21.128 5.590 0.805 1.00 42.10 O ATOM 549 CB ILE A 354 22.869 5.096 3.290 1.00 15.10 C ATOM 550 CG1 ILE A 354 22.853 4.772 4.802 1.00 51.14 C ATOM 551 CG2 ILE A 354 24.298 5.364 2.811 1.00 5.20 C ATOM 552 CD1 ILE A 354 23.329 5.900 5.705 1.00 71.24 C ATOM 0 H ILE A 354 20.375 5.058 3.585 1.00 53.40 H new ATOM 0 HA ILE A 354 22.332 7.196 3.408 1.00 45.31 H new ATOM 0 HB ILE A 354 22.493 4.226 2.752 1.00 15.10 H new ATOM 0 HG12 ILE A 354 21.837 4.500 5.090 1.00 51.14 H new ATOM 0 HG13 ILE A 354 23.479 3.897 4.978 1.00 51.14 H new ATOM 0 HG21 ILE A 354 24.931 4.512 3.058 1.00 5.20 H new ATOM 0 HG22 ILE A 354 24.298 5.514 1.731 1.00 5.20 H new ATOM 0 HG23 ILE A 354 24.685 6.257 3.302 1.00 5.20 H new ATOM 0 HD11 ILE A 354 23.282 5.578 6.745 1.00 71.24 H new ATOM 0 HD12 ILE A 354 24.357 6.159 5.452 1.00 71.24 H new ATOM 0 HD13 ILE A 354 22.690 6.772 5.566 1.00 71.24 H new ATOM 564 N GLU A 355 22.429 7.455 0.859 1.00 22.14 N ATOM 565 CA GLU A 355 22.358 7.593 -0.561 1.00 73.24 C ATOM 566 C GLU A 355 23.039 6.384 -1.146 1.00 52.54 C ATOM 567 O GLU A 355 23.984 5.848 -0.555 1.00 4.11 O ATOM 568 CB GLU A 355 23.006 8.923 -1.086 1.00 4.04 C ATOM 569 CG GLU A 355 24.536 8.935 -1.377 1.00 41.10 C ATOM 570 CD GLU A 355 24.903 8.126 -2.644 1.00 61.10 C ATOM 571 OE1 GLU A 355 24.266 8.369 -3.725 1.00 12.45 O ATOM 572 OE2 GLU A 355 25.714 7.151 -2.533 1.00 70.44 O ATOM 0 H GLU A 355 22.968 8.172 1.344 1.00 22.14 H new ATOM 0 HA GLU A 355 21.315 7.653 -0.870 1.00 73.24 H new ATOM 0 HB2 GLU A 355 22.491 9.204 -2.005 1.00 4.04 H new ATOM 0 HB3 GLU A 355 22.801 9.704 -0.354 1.00 4.04 H new ATOM 0 HG2 GLU A 355 24.872 9.965 -1.497 1.00 41.10 H new ATOM 0 HG3 GLU A 355 25.069 8.524 -0.520 1.00 41.10 H new ATOM 579 N GLY A 356 22.550 5.915 -2.237 1.00 55.02 N ATOM 580 CA GLY A 356 23.178 4.794 -2.861 1.00 15.44 C ATOM 581 C GLY A 356 22.570 3.532 -2.398 1.00 4.33 C ATOM 582 O GLY A 356 22.837 2.476 -2.951 1.00 55.15 O ATOM 0 H GLY A 356 21.727 6.280 -2.716 1.00 55.02 H new ATOM 0 HA2 GLY A 356 23.083 4.874 -3.944 1.00 15.44 H new ATOM 0 HA3 GLY A 356 24.244 4.795 -2.634 1.00 15.44 H new ATOM 586 N GLY A 357 21.785 3.636 -1.343 1.00 23.24 N ATOM 587 CA GLY A 357 21.037 2.541 -0.907 1.00 71.41 C ATOM 588 C GLY A 357 19.994 2.243 -1.920 1.00 53.51 C ATOM 589 O GLY A 357 19.496 3.179 -2.607 1.00 15.01 O ATOM 0 H GLY A 357 21.669 4.485 -0.790 1.00 23.24 H new ATOM 0 HA2 GLY A 357 21.683 1.675 -0.764 1.00 71.41 H new ATOM 0 HA3 GLY A 357 20.577 2.758 0.057 1.00 71.41 H new ATOM 593 N ALA A 358 19.650 0.992 -2.043 1.00 55.14 N ATOM 594 CA ALA A 358 18.650 0.572 -2.984 1.00 20.43 C ATOM 595 C ALA A 358 17.367 1.298 -2.720 1.00 34.04 C ATOM 596 O ALA A 358 16.756 1.799 -3.623 1.00 42.11 O ATOM 597 CB ALA A 358 18.438 -0.919 -2.913 1.00 13.03 C ATOM 0 H ALA A 358 20.055 0.234 -1.493 1.00 55.14 H new ATOM 0 HA ALA A 358 18.994 0.814 -3.989 1.00 20.43 H new ATOM 0 HB1 ALA A 358 17.676 -1.213 -3.635 1.00 13.03 H new ATOM 0 HB2 ALA A 358 19.373 -1.431 -3.143 1.00 13.03 H new ATOM 0 HB3 ALA A 358 18.112 -1.193 -1.910 1.00 13.03 H new ATOM 603 N ALA A 359 17.025 1.467 -1.463 1.00 33.42 N ATOM 604 CA ALA A 359 15.779 2.116 -1.144 1.00 41.14 C ATOM 605 C ALA A 359 15.826 3.630 -1.390 1.00 74.22 C ATOM 606 O ALA A 359 14.802 4.299 -1.401 1.00 13.01 O ATOM 607 CB ALA A 359 15.318 1.795 0.248 1.00 3.24 C ATOM 0 H ALA A 359 17.581 1.170 -0.661 1.00 33.42 H new ATOM 0 HA ALA A 359 15.037 1.710 -1.832 1.00 41.14 H new ATOM 0 HB1 ALA A 359 14.375 2.305 0.446 1.00 3.24 H new ATOM 0 HB2 ALA A 359 15.175 0.719 0.345 1.00 3.24 H new ATOM 0 HB3 ALA A 359 16.068 2.128 0.965 1.00 3.24 H new ATOM 613 N HIS A 360 17.002 4.148 -1.610 1.00 53.12 N ATOM 614 CA HIS A 360 17.157 5.546 -1.910 1.00 14.24 C ATOM 615 C HIS A 360 17.026 5.759 -3.411 1.00 70.54 C ATOM 616 O HIS A 360 16.347 6.663 -3.858 1.00 21.11 O ATOM 617 CB HIS A 360 18.513 6.064 -1.372 1.00 55.40 C ATOM 618 CG HIS A 360 18.887 7.467 -1.777 1.00 43.14 C ATOM 619 ND1 HIS A 360 19.664 7.880 -2.799 1.00 0.11 N flip ATOM 620 CD2 HIS A 360 18.489 8.608 -1.120 1.00 5.55 C flip ATOM 621 CE1 HIS A 360 19.759 9.257 -2.792 1.00 52.01 C flip ATOM 622 NE2 HIS A 360 19.028 9.656 -1.755 1.00 51.30 N flip ATOM 0 H HIS A 360 17.874 3.619 -1.587 1.00 53.12 H new ATOM 0 HA HIS A 360 16.372 6.118 -1.415 1.00 14.24 H new ATOM 0 HB2 HIS A 360 18.494 6.013 -0.283 1.00 55.40 H new ATOM 0 HB3 HIS A 360 19.298 5.387 -1.709 1.00 55.40 H new ATOM 0 HD2 HIS A 360 17.854 8.651 -0.247 1.00 5.55 H new ATOM 0 HE1 HIS A 360 20.310 9.879 -3.482 1.00 52.01 H new ATOM 0 HE2 HIS A 360 18.896 10.629 -1.481 1.00 51.30 H new ATOM 630 N LYS A 361 17.658 4.902 -4.180 1.00 24.24 N ATOM 631 CA LYS A 361 17.631 5.056 -5.625 1.00 23.44 C ATOM 632 C LYS A 361 16.391 4.376 -6.227 1.00 1.41 C ATOM 633 O LYS A 361 15.531 5.008 -6.844 1.00 13.24 O ATOM 634 CB LYS A 361 18.884 4.429 -6.246 1.00 52.44 C ATOM 635 CG LYS A 361 20.248 4.947 -5.733 1.00 52.11 C ATOM 636 CD LYS A 361 20.496 6.456 -5.950 1.00 20.24 C ATOM 637 CE LYS A 361 21.879 6.840 -5.382 1.00 22.51 C ATOM 638 NZ LYS A 361 22.154 8.307 -5.324 1.00 63.05 N ATOM 0 H LYS A 361 18.191 4.101 -3.841 1.00 24.24 H new ATOM 0 HA LYS A 361 17.598 6.123 -5.845 1.00 23.44 H new ATOM 0 HB2 LYS A 361 18.844 3.353 -6.079 1.00 52.44 H new ATOM 0 HB3 LYS A 361 18.844 4.586 -7.324 1.00 52.44 H new ATOM 0 HG2 LYS A 361 20.324 4.731 -4.667 1.00 52.11 H new ATOM 0 HG3 LYS A 361 21.042 4.389 -6.229 1.00 52.11 H new ATOM 0 HD2 LYS A 361 20.449 6.693 -7.013 1.00 20.24 H new ATOM 0 HD3 LYS A 361 19.716 7.037 -5.459 1.00 20.24 H new ATOM 0 HE2 LYS A 361 21.969 6.429 -4.376 1.00 22.51 H new ATOM 0 HE3 LYS A 361 22.649 6.365 -5.990 1.00 22.51 H new ATOM 0 HZ1 LYS A 361 22.974 8.482 -4.709 1.00 63.05 H new ATOM 0 HZ2 LYS A 361 22.356 8.660 -6.281 1.00 63.05 H new ATOM 0 HZ3 LYS A 361 21.323 8.801 -4.941 1.00 63.05 H new ATOM 652 N ASP A 362 16.295 3.109 -5.960 1.00 14.34 N ATOM 653 CA ASP A 362 15.267 2.210 -6.496 1.00 31.50 C ATOM 654 C ASP A 362 14.015 2.352 -5.691 1.00 44.40 C ATOM 655 O ASP A 362 12.901 2.330 -6.204 1.00 32.34 O ATOM 656 CB ASP A 362 15.788 0.790 -6.301 1.00 21.41 C ATOM 657 CG ASP A 362 14.938 -0.332 -6.883 1.00 74.43 C ATOM 658 OD1 ASP A 362 14.209 -0.135 -7.892 1.00 24.31 O ATOM 659 OD2 ASP A 362 15.024 -1.466 -6.359 1.00 4.14 O ATOM 0 H ASP A 362 16.949 2.634 -5.338 1.00 14.34 H new ATOM 0 HA ASP A 362 15.059 2.436 -7.542 1.00 31.50 H new ATOM 0 HB2 ASP A 362 16.783 0.728 -6.742 1.00 21.41 H new ATOM 0 HB3 ASP A 362 15.902 0.612 -5.232 1.00 21.41 H new ATOM 664 N GLY A 363 14.219 2.595 -4.442 1.00 55.51 N ATOM 665 CA GLY A 363 13.144 2.546 -3.490 1.00 0.32 C ATOM 666 C GLY A 363 12.314 3.763 -3.337 1.00 44.42 C ATOM 667 O GLY A 363 11.246 3.657 -2.794 1.00 3.23 O ATOM 0 H GLY A 363 15.128 2.833 -4.045 1.00 55.51 H new ATOM 0 HA2 GLY A 363 12.486 1.722 -3.767 1.00 0.32 H new ATOM 0 HA3 GLY A 363 13.568 2.302 -2.516 1.00 0.32 H new ATOM 671 N LYS A 364 12.797 4.917 -3.809 1.00 23.21 N ATOM 672 CA LYS A 364 12.088 6.238 -3.685 1.00 34.32 C ATOM 673 C LYS A 364 11.446 6.447 -2.271 1.00 33.42 C ATOM 674 O LYS A 364 10.428 7.122 -2.127 1.00 65.21 O ATOM 675 CB LYS A 364 11.054 6.521 -4.863 1.00 24.25 C ATOM 676 CG LYS A 364 9.686 5.760 -4.898 1.00 64.33 C ATOM 677 CD LYS A 364 9.742 4.245 -5.199 1.00 3.13 C ATOM 678 CE LYS A 364 10.080 3.868 -6.644 1.00 14.53 C ATOM 679 NZ LYS A 364 11.420 4.308 -7.117 1.00 43.21 N ATOM 0 H LYS A 364 13.692 4.984 -4.293 1.00 23.21 H new ATOM 0 HA LYS A 364 12.869 6.991 -3.792 1.00 34.32 H new ATOM 0 HB2 LYS A 364 10.832 7.588 -4.851 1.00 24.25 H new ATOM 0 HB3 LYS A 364 11.566 6.312 -5.802 1.00 24.25 H new ATOM 0 HG2 LYS A 364 9.195 5.898 -3.934 1.00 64.33 H new ATOM 0 HG3 LYS A 364 9.053 6.233 -5.649 1.00 64.33 H new ATOM 0 HD2 LYS A 364 10.482 3.790 -4.541 1.00 3.13 H new ATOM 0 HD3 LYS A 364 8.777 3.807 -4.945 1.00 3.13 H new ATOM 0 HE2 LYS A 364 10.015 2.785 -6.745 1.00 14.53 H new ATOM 0 HE3 LYS A 364 9.322 4.295 -7.301 1.00 14.53 H new ATOM 0 HZ1 LYS A 364 11.605 3.907 -8.059 1.00 43.21 H new ATOM 0 HZ2 LYS A 364 11.445 5.346 -7.171 1.00 43.21 H new ATOM 0 HZ3 LYS A 364 12.148 3.978 -6.452 1.00 43.21 H new ATOM 693 N LEU A 365 12.126 5.918 -1.257 1.00 25.42 N ATOM 694 CA LEU A 365 11.621 5.826 0.112 1.00 20.04 C ATOM 695 C LEU A 365 11.853 7.138 0.888 1.00 4.11 C ATOM 696 O LEU A 365 12.738 7.936 0.531 1.00 60.05 O ATOM 697 CB LEU A 365 12.351 4.645 0.786 1.00 33.12 C ATOM 698 CG LEU A 365 11.891 4.201 2.175 1.00 41.22 C ATOM 699 CD1 LEU A 365 10.488 3.617 2.114 1.00 31.42 C ATOM 700 CD2 LEU A 365 12.865 3.184 2.741 1.00 5.13 C ATOM 0 H LEU A 365 13.064 5.533 -1.366 1.00 25.42 H new ATOM 0 HA LEU A 365 10.544 5.661 0.108 1.00 20.04 H new ATOM 0 HB2 LEU A 365 12.275 3.785 0.121 1.00 33.12 H new ATOM 0 HB3 LEU A 365 13.408 4.903 0.853 1.00 33.12 H new ATOM 0 HG LEU A 365 11.868 5.071 2.831 1.00 41.22 H new ATOM 0 HD11 LEU A 365 10.179 3.307 3.112 1.00 31.42 H new ATOM 0 HD12 LEU A 365 9.796 4.371 1.738 1.00 31.42 H new ATOM 0 HD13 LEU A 365 10.482 2.754 1.448 1.00 31.42 H new ATOM 0 HD21 LEU A 365 12.531 2.872 3.731 1.00 5.13 H new ATOM 0 HD22 LEU A 365 12.909 2.316 2.083 1.00 5.13 H new ATOM 0 HD23 LEU A 365 13.856 3.632 2.817 1.00 5.13 H new ATOM 712 N GLN A 366 11.066 7.358 1.939 1.00 43.40 N ATOM 713 CA GLN A 366 11.152 8.551 2.752 1.00 41.14 C ATOM 714 C GLN A 366 11.523 8.216 4.198 1.00 62.21 C ATOM 715 O GLN A 366 11.123 7.181 4.739 1.00 44.44 O ATOM 716 CB GLN A 366 9.797 9.243 2.770 1.00 61.03 C ATOM 717 CG GLN A 366 9.297 9.629 1.407 1.00 62.04 C ATOM 718 CD GLN A 366 7.935 10.256 1.446 1.00 15.24 C ATOM 719 OE1 GLN A 366 7.084 9.943 2.301 1.00 51.43 O ATOM 720 NE2 GLN A 366 7.709 11.155 0.546 1.00 33.32 N ATOM 0 H GLN A 366 10.347 6.703 2.246 1.00 43.40 H new ATOM 0 HA GLN A 366 11.922 9.192 2.322 1.00 41.14 H new ATOM 0 HB2 GLN A 366 9.068 8.583 3.241 1.00 61.03 H new ATOM 0 HB3 GLN A 366 9.864 10.137 3.389 1.00 61.03 H new ATOM 0 HG2 GLN A 366 10.000 10.326 0.950 1.00 62.04 H new ATOM 0 HG3 GLN A 366 9.267 8.744 0.771 1.00 62.04 H new ATOM 0 HE21 GLN A 366 8.430 11.385 -0.138 1.00 33.32 H new ATOM 0 HE22 GLN A 366 6.809 11.635 0.519 1.00 33.32 H new ATOM 729 N ILE A 367 12.337 9.053 4.811 1.00 41.03 N ATOM 730 CA ILE A 367 12.571 8.939 6.238 1.00 33.31 C ATOM 731 C ILE A 367 11.249 9.276 6.945 1.00 51.54 C ATOM 732 O ILE A 367 10.694 10.354 6.738 1.00 52.53 O ATOM 733 CB ILE A 367 13.734 9.862 6.730 1.00 30.50 C ATOM 734 CG1 ILE A 367 15.058 9.428 6.079 1.00 54.01 C ATOM 735 CG2 ILE A 367 13.849 9.835 8.253 1.00 31.14 C ATOM 736 CD1 ILE A 367 16.241 10.320 6.407 1.00 72.43 C ATOM 0 H ILE A 367 12.842 9.810 4.351 1.00 41.03 H new ATOM 0 HA ILE A 367 12.889 7.924 6.477 1.00 33.31 H new ATOM 0 HB ILE A 367 13.512 10.887 6.432 1.00 30.50 H new ATOM 0 HG12 ILE A 367 15.287 8.410 6.395 1.00 54.01 H new ATOM 0 HG13 ILE A 367 14.926 9.404 4.997 1.00 54.01 H new ATOM 0 HG21 ILE A 367 14.665 10.485 8.568 1.00 31.14 H new ATOM 0 HG22 ILE A 367 12.916 10.184 8.695 1.00 31.14 H new ATOM 0 HG23 ILE A 367 14.048 8.816 8.585 1.00 31.14 H new ATOM 0 HD11 ILE A 367 17.132 9.941 5.907 1.00 72.43 H new ATOM 0 HD12 ILE A 367 16.037 11.335 6.065 1.00 72.43 H new ATOM 0 HD13 ILE A 367 16.404 10.326 7.485 1.00 72.43 H new ATOM 748 N GLY A 368 10.750 8.356 7.732 1.00 63.33 N ATOM 749 CA GLY A 368 9.454 8.529 8.347 1.00 4.32 C ATOM 750 C GLY A 368 8.462 7.518 7.812 1.00 3.23 C ATOM 751 O GLY A 368 7.293 7.505 8.204 1.00 3.42 O ATOM 0 H GLY A 368 11.219 7.480 7.963 1.00 63.33 H new ATOM 0 HA2 GLY A 368 9.543 8.420 9.428 1.00 4.32 H new ATOM 0 HA3 GLY A 368 9.089 9.538 8.157 1.00 4.32 H new ATOM 755 N ASP A 369 8.924 6.702 6.880 1.00 60.52 N ATOM 756 CA ASP A 369 8.122 5.620 6.324 1.00 10.43 C ATOM 757 C ASP A 369 7.954 4.476 7.294 1.00 52.14 C ATOM 758 O ASP A 369 8.903 4.086 7.996 1.00 25.35 O ATOM 759 CB ASP A 369 8.685 5.121 4.996 1.00 52.31 C ATOM 760 CG ASP A 369 8.044 5.809 3.803 1.00 34.11 C ATOM 761 OD1 ASP A 369 6.796 5.802 3.707 1.00 63.23 O ATOM 762 OD2 ASP A 369 8.747 6.339 2.955 1.00 1.35 O ATOM 0 H ASP A 369 9.863 6.769 6.487 1.00 60.52 H new ATOM 0 HA ASP A 369 7.134 6.039 6.135 1.00 10.43 H new ATOM 0 HB2 ASP A 369 9.762 5.289 4.974 1.00 52.31 H new ATOM 0 HB3 ASP A 369 8.529 4.045 4.919 1.00 52.31 H new ATOM 767 N LYS A 370 6.749 3.954 7.339 1.00 21.32 N ATOM 768 CA LYS A 370 6.379 2.860 8.206 1.00 61.42 C ATOM 769 C LYS A 370 6.373 1.556 7.436 1.00 3.13 C ATOM 770 O LYS A 370 5.570 1.364 6.521 1.00 22.54 O ATOM 771 CB LYS A 370 4.990 3.117 8.799 1.00 35.33 C ATOM 772 CG LYS A 370 4.331 1.908 9.385 1.00 31.15 C ATOM 773 CD LYS A 370 2.932 2.209 9.855 1.00 42.42 C ATOM 774 CE LYS A 370 2.244 0.920 10.148 1.00 24.31 C ATOM 775 NZ LYS A 370 1.029 1.057 10.942 1.00 60.43 N ATOM 0 H LYS A 370 5.980 4.288 6.758 1.00 21.32 H new ATOM 0 HA LYS A 370 7.110 2.788 9.012 1.00 61.42 H new ATOM 0 HB2 LYS A 370 5.075 3.880 9.573 1.00 35.33 H new ATOM 0 HB3 LYS A 370 4.346 3.524 8.020 1.00 35.33 H new ATOM 0 HG2 LYS A 370 4.301 1.113 8.640 1.00 31.15 H new ATOM 0 HG3 LYS A 370 4.925 1.539 10.222 1.00 31.15 H new ATOM 0 HD2 LYS A 370 2.959 2.835 10.747 1.00 42.42 H new ATOM 0 HD3 LYS A 370 2.387 2.764 9.091 1.00 42.42 H new ATOM 0 HE2 LYS A 370 1.995 0.432 9.206 1.00 24.31 H new ATOM 0 HE3 LYS A 370 2.936 0.263 10.675 1.00 24.31 H new ATOM 0 HZ1 LYS A 370 0.761 0.130 11.330 1.00 60.43 H new ATOM 0 HZ2 LYS A 370 1.198 1.723 11.723 1.00 60.43 H new ATOM 0 HZ3 LYS A 370 0.260 1.416 10.341 1.00 60.43 H new ATOM 789 N LEU A 371 7.233 0.665 7.804 1.00 43.53 N ATOM 790 CA LEU A 371 7.291 -0.603 7.147 1.00 71.33 C ATOM 791 C LEU A 371 6.243 -1.506 7.714 1.00 13.35 C ATOM 792 O LEU A 371 6.295 -1.890 8.879 1.00 4.45 O ATOM 793 CB LEU A 371 8.669 -1.233 7.236 1.00 22.11 C ATOM 794 CG LEU A 371 9.798 -0.406 6.650 1.00 34.11 C ATOM 795 CD1 LEU A 371 11.120 -1.132 6.780 1.00 70.04 C ATOM 796 CD2 LEU A 371 9.518 -0.049 5.204 1.00 10.32 C ATOM 0 H LEU A 371 7.908 0.790 8.558 1.00 43.53 H new ATOM 0 HA LEU A 371 7.094 -0.447 6.086 1.00 71.33 H new ATOM 0 HB2 LEU A 371 8.893 -1.432 8.284 1.00 22.11 H new ATOM 0 HB3 LEU A 371 8.644 -2.196 6.727 1.00 22.11 H new ATOM 0 HG LEU A 371 9.863 0.523 7.217 1.00 34.11 H new ATOM 0 HD11 LEU A 371 11.915 -0.520 6.353 1.00 70.04 H new ATOM 0 HD12 LEU A 371 11.331 -1.318 7.833 1.00 70.04 H new ATOM 0 HD13 LEU A 371 11.068 -2.082 6.247 1.00 70.04 H new ATOM 0 HD21 LEU A 371 10.343 0.544 4.809 1.00 10.32 H new ATOM 0 HD22 LEU A 371 9.414 -0.962 4.618 1.00 10.32 H new ATOM 0 HD23 LEU A 371 8.595 0.528 5.144 1.00 10.32 H new ATOM 808 N LEU A 372 5.298 -1.806 6.882 1.00 15.20 N ATOM 809 CA LEU A 372 4.162 -2.616 7.217 1.00 41.23 C ATOM 810 C LEU A 372 4.595 -4.074 7.107 1.00 4.54 C ATOM 811 O LEU A 372 4.199 -4.936 7.900 1.00 60.11 O ATOM 812 CB LEU A 372 3.034 -2.280 6.200 1.00 54.11 C ATOM 813 CG LEU A 372 1.585 -2.691 6.539 1.00 13.11 C ATOM 814 CD1 LEU A 372 0.622 -2.041 5.561 1.00 2.24 C ATOM 815 CD2 LEU A 372 1.383 -4.201 6.512 1.00 61.55 C ATOM 0 H LEU A 372 5.292 -1.484 5.914 1.00 15.20 H new ATOM 0 HA LEU A 372 3.793 -2.431 8.226 1.00 41.23 H new ATOM 0 HB2 LEU A 372 3.043 -1.202 6.040 1.00 54.11 H new ATOM 0 HB3 LEU A 372 3.296 -2.745 5.250 1.00 54.11 H new ATOM 0 HG LEU A 372 1.387 -2.349 7.555 1.00 13.11 H new ATOM 0 HD11 LEU A 372 -0.399 -2.335 5.806 1.00 2.24 H new ATOM 0 HD12 LEU A 372 0.713 -0.957 5.627 1.00 2.24 H new ATOM 0 HD13 LEU A 372 0.860 -2.364 4.547 1.00 2.24 H new ATOM 0 HD21 LEU A 372 0.347 -4.434 6.758 1.00 61.55 H new ATOM 0 HD22 LEU A 372 1.614 -4.581 5.517 1.00 61.55 H new ATOM 0 HD23 LEU A 372 2.043 -4.669 7.242 1.00 61.55 H new ATOM 827 N ALA A 373 5.422 -4.336 6.120 1.00 61.04 N ATOM 828 CA ALA A 373 5.934 -5.654 5.872 1.00 72.12 C ATOM 829 C ALA A 373 7.141 -5.554 4.978 1.00 44.24 C ATOM 830 O ALA A 373 7.317 -4.555 4.280 1.00 63.25 O ATOM 831 CB ALA A 373 4.865 -6.525 5.205 1.00 71.33 C ATOM 0 H ALA A 373 5.758 -3.630 5.464 1.00 61.04 H new ATOM 0 HA ALA A 373 6.214 -6.114 6.820 1.00 72.12 H new ATOM 0 HB1 ALA A 373 5.269 -7.521 5.023 1.00 71.33 H new ATOM 0 HB2 ALA A 373 3.996 -6.599 5.859 1.00 71.33 H new ATOM 0 HB3 ALA A 373 4.569 -6.075 4.257 1.00 71.33 H new ATOM 837 N VAL A 374 7.977 -6.536 5.008 1.00 31.22 N ATOM 838 CA VAL A 374 9.080 -6.582 4.109 1.00 32.44 C ATOM 839 C VAL A 374 9.327 -8.019 3.673 1.00 64.05 C ATOM 840 O VAL A 374 9.446 -8.924 4.500 1.00 65.10 O ATOM 841 CB VAL A 374 10.372 -5.910 4.674 1.00 3.55 C ATOM 842 CG1 VAL A 374 10.955 -6.679 5.836 1.00 1.44 C ATOM 843 CG2 VAL A 374 11.403 -5.709 3.577 1.00 43.23 C ATOM 0 H VAL A 374 7.916 -7.325 5.652 1.00 31.22 H new ATOM 0 HA VAL A 374 8.815 -5.987 3.235 1.00 32.44 H new ATOM 0 HB VAL A 374 10.084 -4.931 5.056 1.00 3.55 H new ATOM 0 HG11 VAL A 374 11.851 -6.173 6.194 1.00 1.44 H new ATOM 0 HG12 VAL A 374 10.222 -6.733 6.641 1.00 1.44 H new ATOM 0 HG13 VAL A 374 11.213 -7.687 5.512 1.00 1.44 H new ATOM 0 HG21 VAL A 374 12.293 -5.240 3.996 1.00 43.23 H new ATOM 0 HG22 VAL A 374 11.670 -6.674 3.147 1.00 43.23 H new ATOM 0 HG23 VAL A 374 10.987 -5.068 2.799 1.00 43.23 H new ATOM 853 N ASN A 375 9.262 -8.200 2.373 1.00 60.15 N ATOM 854 CA ASN A 375 9.503 -9.454 1.662 1.00 54.35 C ATOM 855 C ASN A 375 8.820 -10.626 2.342 1.00 32.12 C ATOM 856 O ASN A 375 9.445 -11.373 3.087 1.00 32.20 O ATOM 857 CB ASN A 375 10.983 -9.743 1.485 1.00 72.55 C ATOM 858 CG ASN A 375 11.209 -10.857 0.493 1.00 33.54 C ATOM 859 OD1 ASN A 375 10.479 -10.983 -0.486 1.00 72.52 O ATOM 860 ND2 ASN A 375 12.174 -11.679 0.745 1.00 63.22 N ATOM 0 H ASN A 375 9.026 -7.437 1.739 1.00 60.15 H new ATOM 0 HA ASN A 375 9.067 -9.327 0.671 1.00 54.35 H new ATOM 0 HB2 ASN A 375 11.494 -8.842 1.146 1.00 72.55 H new ATOM 0 HB3 ASN A 375 11.420 -10.014 2.446 1.00 72.55 H new ATOM 0 HD21 ASN A 375 12.350 -12.466 0.120 1.00 63.22 H new ATOM 0 HD22 ASN A 375 12.759 -11.541 1.569 1.00 63.22 H new ATOM 867 N ASN A 376 7.538 -10.732 2.109 1.00 4.10 N ATOM 868 CA ASN A 376 6.645 -11.721 2.731 1.00 65.45 C ATOM 869 C ASN A 376 6.451 -11.547 4.274 1.00 51.01 C ATOM 870 O ASN A 376 5.368 -11.831 4.787 1.00 13.33 O ATOM 871 CB ASN A 376 7.073 -13.162 2.371 1.00 63.31 C ATOM 872 CG ASN A 376 6.113 -14.211 2.888 1.00 53.52 C ATOM 873 OD1 ASN A 376 6.274 -14.752 3.968 1.00 63.22 O ATOM 874 ND2 ASN A 376 5.104 -14.501 2.110 1.00 74.40 N ATOM 0 H ASN A 376 7.052 -10.116 1.458 1.00 4.10 H new ATOM 0 HA ASN A 376 5.661 -11.529 2.304 1.00 65.45 H new ATOM 0 HB2 ASN A 376 7.151 -13.252 1.288 1.00 63.31 H new ATOM 0 HB3 ASN A 376 8.065 -13.353 2.779 1.00 63.31 H new ATOM 0 HD21 ASN A 376 4.420 -15.200 2.401 1.00 74.40 H new ATOM 0 HD22 ASN A 376 5.000 -14.028 1.212 1.00 74.40 H new ATOM 881 N VAL A 377 7.441 -11.016 4.989 1.00 74.42 N ATOM 882 CA VAL A 377 7.351 -10.937 6.444 1.00 23.35 C ATOM 883 C VAL A 377 6.576 -9.698 6.876 1.00 51.43 C ATOM 884 O VAL A 377 6.910 -8.587 6.482 1.00 25.54 O ATOM 885 CB VAL A 377 8.756 -10.904 7.108 1.00 74.11 C ATOM 886 CG1 VAL A 377 8.649 -10.979 8.631 1.00 24.23 C ATOM 887 CG2 VAL A 377 9.645 -12.019 6.572 1.00 50.05 C ATOM 0 H VAL A 377 8.302 -10.640 4.592 1.00 74.42 H new ATOM 0 HA VAL A 377 6.826 -11.834 6.773 1.00 23.35 H new ATOM 0 HB VAL A 377 9.219 -9.952 6.850 1.00 74.11 H new ATOM 0 HG11 VAL A 377 9.647 -10.954 9.068 1.00 24.23 H new ATOM 0 HG12 VAL A 377 8.071 -10.130 8.997 1.00 24.23 H new ATOM 0 HG13 VAL A 377 8.152 -11.906 8.916 1.00 24.23 H new ATOM 0 HG21 VAL A 377 10.621 -11.970 7.055 1.00 50.05 H new ATOM 0 HG22 VAL A 377 9.184 -12.984 6.782 1.00 50.05 H new ATOM 0 HG23 VAL A 377 9.767 -11.901 5.495 1.00 50.05 H new ATOM 897 N CYS A 378 5.540 -9.901 7.658 1.00 55.14 N ATOM 898 CA CYS A 378 4.758 -8.821 8.209 1.00 44.24 C ATOM 899 C CYS A 378 5.529 -8.153 9.352 1.00 33.32 C ATOM 900 O CYS A 378 6.077 -8.838 10.215 1.00 73.12 O ATOM 901 CB CYS A 378 3.426 -9.375 8.699 1.00 63.34 C ATOM 902 SG CYS A 378 3.603 -10.786 9.813 1.00 50.20 S ATOM 0 H CYS A 378 5.215 -10.829 7.931 1.00 55.14 H new ATOM 0 HA CYS A 378 4.567 -8.067 7.445 1.00 44.24 H new ATOM 0 HB2 CYS A 378 2.878 -8.584 9.211 1.00 63.34 H new ATOM 0 HB3 CYS A 378 2.826 -9.673 7.839 1.00 63.34 H new ATOM 0 HG CYS A 378 4.698 -10.660 10.503 1.00 50.20 H new ATOM 908 N LEU A 379 5.586 -6.838 9.337 1.00 73.24 N ATOM 909 CA LEU A 379 6.339 -6.073 10.330 1.00 24.32 C ATOM 910 C LEU A 379 5.442 -5.324 11.315 1.00 53.21 C ATOM 911 O LEU A 379 5.940 -4.703 12.265 1.00 62.52 O ATOM 912 CB LEU A 379 7.324 -5.114 9.642 1.00 61.33 C ATOM 913 CG LEU A 379 8.746 -5.648 9.352 1.00 54.03 C ATOM 914 CD1 LEU A 379 8.724 -6.973 8.626 1.00 43.43 C ATOM 915 CD2 LEU A 379 9.533 -4.628 8.551 1.00 13.31 C ATOM 0 H LEU A 379 5.115 -6.262 8.640 1.00 73.24 H new ATOM 0 HA LEU A 379 6.903 -6.796 10.920 1.00 24.32 H new ATOM 0 HB2 LEU A 379 6.883 -4.798 8.697 1.00 61.33 H new ATOM 0 HB3 LEU A 379 7.418 -4.224 10.264 1.00 61.33 H new ATOM 0 HG LEU A 379 9.232 -5.813 10.313 1.00 54.03 H new ATOM 0 HD11 LEU A 379 9.746 -7.306 8.445 1.00 43.43 H new ATOM 0 HD12 LEU A 379 8.204 -7.713 9.234 1.00 43.43 H new ATOM 0 HD13 LEU A 379 8.206 -6.858 7.674 1.00 43.43 H new ATOM 0 HD21 LEU A 379 10.533 -5.014 8.352 1.00 13.31 H new ATOM 0 HD22 LEU A 379 9.024 -4.436 7.607 1.00 13.31 H new ATOM 0 HD23 LEU A 379 9.609 -3.700 9.118 1.00 13.31 H new ATOM 927 N GLU A 380 4.140 -5.380 11.094 1.00 3.12 N ATOM 928 CA GLU A 380 3.183 -4.757 11.999 1.00 62.31 C ATOM 929 C GLU A 380 3.226 -5.397 13.377 1.00 61.41 C ATOM 930 O GLU A 380 2.927 -6.585 13.527 1.00 1.32 O ATOM 931 CB GLU A 380 1.750 -4.805 11.439 1.00 3.33 C ATOM 932 CG GLU A 380 1.513 -3.900 10.241 1.00 52.32 C ATOM 933 CD GLU A 380 1.745 -2.441 10.573 1.00 22.25 C ATOM 934 OE1 GLU A 380 2.904 -2.008 10.553 1.00 62.40 O ATOM 935 OE2 GLU A 380 0.765 -1.699 10.864 1.00 52.33 O ATOM 0 H GLU A 380 3.718 -5.851 10.294 1.00 3.12 H new ATOM 0 HA GLU A 380 3.475 -3.711 12.092 1.00 62.31 H new ATOM 0 HB2 GLU A 380 1.518 -5.831 11.155 1.00 3.33 H new ATOM 0 HB3 GLU A 380 1.054 -4.529 12.231 1.00 3.33 H new ATOM 0 HG2 GLU A 380 2.175 -4.196 9.427 1.00 52.32 H new ATOM 0 HG3 GLU A 380 0.492 -4.032 9.884 1.00 52.32 H new ATOM 942 N GLU A 381 3.661 -4.603 14.351 1.00 62.13 N ATOM 943 CA GLU A 381 3.707 -4.962 15.756 1.00 31.13 C ATOM 944 C GLU A 381 4.596 -6.207 16.036 1.00 22.15 C ATOM 945 O GLU A 381 4.299 -7.065 16.866 1.00 22.35 O ATOM 946 CB GLU A 381 2.279 -5.048 16.331 1.00 2.42 C ATOM 947 CG GLU A 381 2.221 -5.196 17.836 1.00 73.43 C ATOM 948 CD GLU A 381 0.988 -4.578 18.424 1.00 11.54 C ATOM 949 OE1 GLU A 381 -0.055 -5.241 18.488 1.00 41.53 O ATOM 950 OE2 GLU A 381 1.086 -3.392 18.840 1.00 34.31 O ATOM 0 H GLU A 381 4.002 -3.659 14.172 1.00 62.13 H new ATOM 0 HA GLU A 381 4.213 -4.164 16.300 1.00 31.13 H new ATOM 0 HB2 GLU A 381 1.730 -4.151 16.045 1.00 2.42 H new ATOM 0 HB3 GLU A 381 1.767 -5.895 15.874 1.00 2.42 H new ATOM 0 HG2 GLU A 381 2.253 -6.254 18.096 1.00 73.43 H new ATOM 0 HG3 GLU A 381 3.103 -4.732 18.278 1.00 73.43 H new ATOM 957 N VAL A 382 5.707 -6.270 15.349 1.00 12.32 N ATOM 958 CA VAL A 382 6.717 -7.272 15.641 1.00 42.11 C ATOM 959 C VAL A 382 7.837 -6.559 16.375 1.00 63.43 C ATOM 960 O VAL A 382 7.864 -5.302 16.391 1.00 63.21 O ATOM 961 CB VAL A 382 7.279 -7.973 14.362 1.00 14.20 C ATOM 962 CG1 VAL A 382 6.168 -8.664 13.587 1.00 72.13 C ATOM 963 CG2 VAL A 382 8.041 -6.998 13.464 1.00 22.10 C ATOM 0 H VAL A 382 5.942 -5.641 14.581 1.00 12.32 H new ATOM 0 HA VAL A 382 6.268 -8.066 16.238 1.00 42.11 H new ATOM 0 HB VAL A 382 7.988 -8.730 14.696 1.00 14.20 H new ATOM 0 HG11 VAL A 382 6.586 -9.144 12.702 1.00 72.13 H new ATOM 0 HG12 VAL A 382 5.697 -9.416 14.219 1.00 72.13 H new ATOM 0 HG13 VAL A 382 5.424 -7.928 13.283 1.00 72.13 H new ATOM 0 HG21 VAL A 382 8.414 -7.527 12.587 1.00 22.10 H new ATOM 0 HG22 VAL A 382 7.373 -6.197 13.148 1.00 22.10 H new ATOM 0 HG23 VAL A 382 8.880 -6.574 14.016 1.00 22.10 H new ATOM 973 N THR A 383 8.741 -7.268 16.991 1.00 71.23 N ATOM 974 CA THR A 383 9.790 -6.576 17.648 1.00 12.42 C ATOM 975 C THR A 383 10.817 -6.206 16.596 1.00 33.34 C ATOM 976 O THR A 383 10.994 -6.928 15.586 1.00 1.02 O ATOM 977 CB THR A 383 10.440 -7.384 18.776 1.00 5.43 C ATOM 978 OG1 THR A 383 9.473 -8.271 19.344 1.00 72.32 O ATOM 979 CG2 THR A 383 10.934 -6.433 19.864 1.00 63.13 C ATOM 0 H THR A 383 8.768 -8.286 17.047 1.00 71.23 H new ATOM 0 HA THR A 383 9.375 -5.691 18.131 1.00 12.42 H new ATOM 0 HB THR A 383 11.277 -7.955 18.374 1.00 5.43 H new ATOM 0 HG1 THR A 383 9.382 -9.064 18.775 1.00 72.32 H new ATOM 0 HG21 THR A 383 11.396 -7.007 20.667 1.00 63.13 H new ATOM 0 HG22 THR A 383 11.667 -5.745 19.441 1.00 63.13 H new ATOM 0 HG23 THR A 383 10.092 -5.866 20.262 1.00 63.13 H new ATOM 987 N HIS A 384 11.485 -5.104 16.815 1.00 25.32 N ATOM 988 CA HIS A 384 12.374 -4.532 15.840 1.00 52.33 C ATOM 989 C HIS A 384 13.456 -5.511 15.309 1.00 71.34 C ATOM 990 O HIS A 384 13.854 -5.403 14.165 1.00 35.00 O ATOM 991 CB HIS A 384 12.938 -3.234 16.402 1.00 73.23 C ATOM 992 CG HIS A 384 13.902 -2.510 15.533 1.00 12.40 C ATOM 993 ND1 HIS A 384 13.520 -1.699 14.515 1.00 43.31 N ATOM 994 CD2 HIS A 384 15.250 -2.465 15.563 1.00 51.12 C ATOM 995 CE1 HIS A 384 14.608 -1.195 13.967 1.00 74.13 C ATOM 996 NE2 HIS A 384 15.690 -1.626 14.568 1.00 43.04 N ATOM 0 H HIS A 384 11.426 -4.573 17.684 1.00 25.32 H new ATOM 0 HA HIS A 384 11.801 -4.308 14.940 1.00 52.33 H new ATOM 0 HB2 HIS A 384 12.106 -2.565 16.623 1.00 73.23 H new ATOM 0 HB3 HIS A 384 13.429 -3.455 17.350 1.00 73.23 H new ATOM 0 HD1 HIS A 384 12.560 -1.512 14.225 1.00 43.31 H new ATOM 0 HD2 HIS A 384 15.881 -3.001 16.256 1.00 51.12 H new ATOM 0 HE1 HIS A 384 14.608 -0.513 13.129 1.00 74.13 H new ATOM 1004 N GLU A 385 13.850 -6.492 16.111 1.00 74.12 N ATOM 1005 CA GLU A 385 14.862 -7.469 15.699 1.00 43.41 C ATOM 1006 C GLU A 385 14.344 -8.310 14.571 1.00 34.14 C ATOM 1007 O GLU A 385 15.057 -8.552 13.599 1.00 64.40 O ATOM 1008 CB GLU A 385 15.237 -8.359 16.858 1.00 73.21 C ATOM 1009 CG GLU A 385 16.371 -9.332 16.639 1.00 42.52 C ATOM 1010 CD GLU A 385 16.637 -10.087 17.908 1.00 13.41 C ATOM 1011 OE1 GLU A 385 17.159 -9.491 18.875 1.00 71.42 O ATOM 1012 OE2 GLU A 385 16.227 -11.253 18.029 1.00 0.40 O ATOM 0 H GLU A 385 13.486 -6.636 17.053 1.00 74.12 H new ATOM 0 HA GLU A 385 15.746 -6.925 15.366 1.00 43.41 H new ATOM 0 HB2 GLU A 385 15.496 -7.722 17.704 1.00 73.21 H new ATOM 0 HB3 GLU A 385 14.354 -8.928 17.147 1.00 73.21 H new ATOM 0 HG2 GLU A 385 16.119 -10.026 15.837 1.00 42.52 H new ATOM 0 HG3 GLU A 385 17.268 -8.797 16.327 1.00 42.52 H new ATOM 1019 N GLU A 386 13.083 -8.712 14.668 1.00 41.41 N ATOM 1020 CA GLU A 386 12.494 -9.569 13.685 1.00 34.21 C ATOM 1021 C GLU A 386 12.354 -8.816 12.402 1.00 45.41 C ATOM 1022 O GLU A 386 12.513 -9.370 11.310 1.00 33.12 O ATOM 1023 CB GLU A 386 11.141 -10.097 14.135 1.00 62.44 C ATOM 1024 CG GLU A 386 11.162 -10.867 15.445 1.00 65.21 C ATOM 1025 CD GLU A 386 11.006 -9.982 16.677 1.00 61.32 C ATOM 1026 OE1 GLU A 386 12.003 -9.375 17.124 1.00 34.43 O ATOM 1027 OE2 GLU A 386 9.872 -9.876 17.210 1.00 60.34 O ATOM 0 H GLU A 386 12.457 -8.448 15.429 1.00 41.41 H new ATOM 0 HA GLU A 386 13.146 -10.431 13.543 1.00 34.21 H new ATOM 0 HB2 GLU A 386 10.453 -9.257 14.234 1.00 62.44 H new ATOM 0 HB3 GLU A 386 10.742 -10.745 13.355 1.00 62.44 H new ATOM 0 HG2 GLU A 386 10.361 -11.606 15.435 1.00 65.21 H new ATOM 0 HG3 GLU A 386 12.101 -11.416 15.519 1.00 65.21 H new ATOM 1034 N ALA A 387 12.112 -7.537 12.549 1.00 54.41 N ATOM 1035 CA ALA A 387 12.012 -6.647 11.438 1.00 20.42 C ATOM 1036 C ALA A 387 13.353 -6.567 10.748 1.00 32.04 C ATOM 1037 O ALA A 387 13.464 -6.938 9.589 1.00 10.44 O ATOM 1038 CB ALA A 387 11.561 -5.276 11.886 1.00 31.32 C ATOM 0 H ALA A 387 11.979 -7.088 13.455 1.00 54.41 H new ATOM 0 HA ALA A 387 11.267 -7.027 10.740 1.00 20.42 H new ATOM 0 HB1 ALA A 387 11.492 -4.615 11.022 1.00 31.32 H new ATOM 0 HB2 ALA A 387 10.584 -5.352 12.363 1.00 31.32 H new ATOM 0 HB3 ALA A 387 12.281 -4.870 12.597 1.00 31.32 H new ATOM 1044 N VAL A 388 14.394 -6.160 11.499 1.00 72.15 N ATOM 1045 CA VAL A 388 15.748 -6.020 10.951 1.00 74.14 C ATOM 1046 C VAL A 388 16.186 -7.323 10.296 1.00 65.52 C ATOM 1047 O VAL A 388 16.712 -7.318 9.203 1.00 35.12 O ATOM 1048 CB VAL A 388 16.804 -5.637 12.030 1.00 2.30 C ATOM 1049 CG1 VAL A 388 18.142 -5.395 11.396 1.00 50.22 C ATOM 1050 CG2 VAL A 388 16.389 -4.424 12.812 1.00 52.11 C ATOM 0 H VAL A 388 14.318 -5.923 12.488 1.00 72.15 H new ATOM 0 HA VAL A 388 15.699 -5.211 10.222 1.00 74.14 H new ATOM 0 HB VAL A 388 16.877 -6.477 12.721 1.00 2.30 H new ATOM 0 HG11 VAL A 388 18.866 -5.129 12.166 1.00 50.22 H new ATOM 0 HG12 VAL A 388 18.471 -6.300 10.885 1.00 50.22 H new ATOM 0 HG13 VAL A 388 18.062 -4.581 10.676 1.00 50.22 H new ATOM 0 HG21 VAL A 388 17.153 -4.191 13.554 1.00 52.11 H new ATOM 0 HG22 VAL A 388 16.270 -3.578 12.135 1.00 52.11 H new ATOM 0 HG23 VAL A 388 15.443 -4.622 13.315 1.00 52.11 H new ATOM 1060 N THR A 389 15.910 -8.429 10.960 1.00 12.32 N ATOM 1061 CA THR A 389 16.252 -9.757 10.478 1.00 31.12 C ATOM 1062 C THR A 389 15.597 -10.061 9.109 1.00 14.14 C ATOM 1063 O THR A 389 16.238 -10.665 8.230 1.00 55.21 O ATOM 1064 CB THR A 389 15.878 -10.834 11.546 1.00 21.12 C ATOM 1065 OG1 THR A 389 16.602 -10.555 12.746 1.00 41.44 O ATOM 1066 CG2 THR A 389 16.229 -12.241 11.080 1.00 53.13 C ATOM 0 H THR A 389 15.435 -8.432 11.863 1.00 12.32 H new ATOM 0 HA THR A 389 17.330 -9.790 10.321 1.00 31.12 H new ATOM 0 HB THR A 389 14.801 -10.791 11.711 1.00 21.12 H new ATOM 0 HG1 THR A 389 16.050 -10.006 13.341 1.00 41.44 H new ATOM 0 HG21 THR A 389 15.953 -12.959 11.852 1.00 53.13 H new ATOM 0 HG22 THR A 389 15.685 -12.467 10.163 1.00 53.13 H new ATOM 0 HG23 THR A 389 17.301 -12.305 10.892 1.00 53.13 H new ATOM 1074 N ALA A 390 14.370 -9.602 8.911 1.00 22.14 N ATOM 1075 CA ALA A 390 13.679 -9.805 7.651 1.00 62.22 C ATOM 1076 C ALA A 390 14.350 -8.990 6.548 1.00 62.11 C ATOM 1077 O ALA A 390 14.551 -9.474 5.437 1.00 31.51 O ATOM 1078 CB ALA A 390 12.212 -9.441 7.783 1.00 72.43 C ATOM 0 H ALA A 390 13.834 -9.086 9.609 1.00 22.14 H new ATOM 0 HA ALA A 390 13.738 -10.860 7.382 1.00 62.22 H new ATOM 0 HB1 ALA A 390 11.710 -9.600 6.828 1.00 72.43 H new ATOM 0 HB2 ALA A 390 11.749 -10.068 8.545 1.00 72.43 H new ATOM 0 HB3 ALA A 390 12.121 -8.394 8.071 1.00 72.43 H new ATOM 1084 N LEU A 391 14.748 -7.763 6.875 1.00 11.12 N ATOM 1085 CA LEU A 391 15.444 -6.930 5.905 1.00 21.50 C ATOM 1086 C LEU A 391 16.887 -7.386 5.728 1.00 4.54 C ATOM 1087 O LEU A 391 17.550 -7.035 4.757 1.00 4.40 O ATOM 1088 CB LEU A 391 15.410 -5.421 6.218 1.00 32.30 C ATOM 1089 CG LEU A 391 14.042 -4.736 6.276 1.00 14.25 C ATOM 1090 CD1 LEU A 391 13.442 -4.742 7.649 1.00 52.32 C ATOM 1091 CD2 LEU A 391 14.075 -3.350 5.701 1.00 23.33 C ATOM 0 H LEU A 391 14.603 -7.332 7.788 1.00 11.12 H new ATOM 0 HA LEU A 391 14.892 -7.063 4.975 1.00 21.50 H new ATOM 0 HB2 LEU A 391 15.903 -5.267 7.178 1.00 32.30 H new ATOM 0 HB3 LEU A 391 16.010 -4.909 5.465 1.00 32.30 H new ATOM 0 HG LEU A 391 13.386 -5.337 5.646 1.00 14.25 H new ATOM 0 HD11 LEU A 391 12.474 -4.242 7.625 1.00 52.32 H new ATOM 0 HD12 LEU A 391 13.311 -5.771 7.984 1.00 52.32 H new ATOM 0 HD13 LEU A 391 14.104 -4.217 8.338 1.00 52.32 H new ATOM 0 HD21 LEU A 391 13.082 -2.906 5.765 1.00 23.33 H new ATOM 0 HD22 LEU A 391 14.782 -2.740 6.263 1.00 23.33 H new ATOM 0 HD23 LEU A 391 14.385 -3.396 4.657 1.00 23.33 H new ATOM 1103 N LYS A 392 17.401 -8.117 6.685 1.00 11.21 N ATOM 1104 CA LYS A 392 18.737 -8.609 6.574 1.00 50.11 C ATOM 1105 C LYS A 392 18.853 -9.831 5.711 1.00 31.14 C ATOM 1106 O LYS A 392 19.753 -9.899 4.871 1.00 21.55 O ATOM 1107 CB LYS A 392 19.447 -8.769 7.906 1.00 0.33 C ATOM 1108 CG LYS A 392 19.715 -7.431 8.539 1.00 1.42 C ATOM 1109 CD LYS A 392 20.722 -7.495 9.646 1.00 65.23 C ATOM 1110 CE LYS A 392 21.125 -6.089 10.041 1.00 34.31 C ATOM 1111 NZ LYS A 392 21.881 -5.377 8.962 1.00 15.14 N ATOM 0 H LYS A 392 16.913 -8.379 7.541 1.00 11.21 H new ATOM 0 HA LYS A 392 19.274 -7.818 6.051 1.00 50.11 H new ATOM 0 HB2 LYS A 392 18.838 -9.377 8.576 1.00 0.33 H new ATOM 0 HB3 LYS A 392 20.387 -9.301 7.759 1.00 0.33 H new ATOM 0 HG2 LYS A 392 20.068 -6.738 7.775 1.00 1.42 H new ATOM 0 HG3 LYS A 392 18.781 -7.027 8.929 1.00 1.42 H new ATOM 0 HD2 LYS A 392 20.302 -8.020 10.504 1.00 65.23 H new ATOM 0 HD3 LYS A 392 21.597 -8.059 9.324 1.00 65.23 H new ATOM 0 HE2 LYS A 392 20.232 -5.517 10.291 1.00 34.31 H new ATOM 0 HE3 LYS A 392 21.738 -6.131 10.941 1.00 34.31 H new ATOM 0 HZ1 LYS A 392 22.072 -4.399 9.259 1.00 15.14 H new ATOM 0 HZ2 LYS A 392 22.781 -5.868 8.787 1.00 15.14 H new ATOM 0 HZ3 LYS A 392 21.316 -5.369 8.089 1.00 15.14 H new ATOM 1125 N ASN A 393 17.917 -10.742 5.852 1.00 34.42 N ATOM 1126 CA ASN A 393 17.925 -11.991 5.114 1.00 24.12 C ATOM 1127 C ASN A 393 17.292 -11.831 3.751 1.00 33.40 C ATOM 1128 O ASN A 393 16.213 -12.341 3.474 1.00 30.21 O ATOM 1129 CB ASN A 393 17.251 -13.119 5.903 1.00 30.24 C ATOM 1130 CG ASN A 393 18.069 -13.606 7.081 1.00 4.35 C ATOM 1131 OD1 ASN A 393 18.877 -14.511 6.958 1.00 72.23 O ATOM 1132 ND2 ASN A 393 17.864 -13.017 8.226 1.00 54.12 N ATOM 0 H ASN A 393 17.123 -10.640 6.484 1.00 34.42 H new ATOM 0 HA ASN A 393 18.968 -12.270 4.967 1.00 24.12 H new ATOM 0 HB2 ASN A 393 16.282 -12.771 6.262 1.00 30.24 H new ATOM 0 HB3 ASN A 393 17.060 -13.957 5.232 1.00 30.24 H new ATOM 0 HD21 ASN A 393 18.387 -13.310 9.051 1.00 54.12 H new ATOM 0 HD22 ASN A 393 17.181 -12.263 8.296 1.00 54.12 H new ATOM 1139 N THR A 394 17.941 -11.054 2.944 1.00 14.41 N ATOM 1140 CA THR A 394 17.546 -10.796 1.589 1.00 74.52 C ATOM 1141 C THR A 394 18.782 -10.638 0.729 1.00 71.42 C ATOM 1142 O THR A 394 19.839 -10.215 1.220 1.00 71.32 O ATOM 1143 CB THR A 394 16.679 -9.520 1.490 1.00 71.05 C ATOM 1144 OG1 THR A 394 17.137 -8.550 2.434 1.00 42.51 O ATOM 1145 CG2 THR A 394 15.198 -9.810 1.699 1.00 31.30 C ATOM 0 H THR A 394 18.792 -10.562 3.217 1.00 14.41 H new ATOM 0 HA THR A 394 16.950 -11.638 1.238 1.00 74.52 H new ATOM 0 HB THR A 394 16.785 -9.125 0.480 1.00 71.05 H new ATOM 0 HG1 THR A 394 16.726 -8.723 3.307 1.00 42.51 H new ATOM 0 HG21 THR A 394 14.631 -8.882 1.620 1.00 31.30 H new ATOM 0 HG22 THR A 394 14.854 -10.512 0.939 1.00 31.30 H new ATOM 0 HG23 THR A 394 15.048 -10.244 2.688 1.00 31.30 H new ATOM 1153 N SER A 395 18.686 -11.012 -0.513 1.00 52.33 N ATOM 1154 CA SER A 395 19.785 -10.873 -1.433 1.00 4.24 C ATOM 1155 C SER A 395 19.237 -10.553 -2.802 1.00 52.33 C ATOM 1156 O SER A 395 18.376 -11.274 -3.310 1.00 50.13 O ATOM 1157 CB SER A 395 20.619 -12.162 -1.466 1.00 61.01 C ATOM 1158 OG SER A 395 21.046 -12.516 -0.151 1.00 60.13 O ATOM 0 H SER A 395 17.846 -11.422 -0.920 1.00 52.33 H new ATOM 0 HA SER A 395 20.438 -10.063 -1.109 1.00 4.24 H new ATOM 0 HB2 SER A 395 20.029 -12.973 -1.894 1.00 61.01 H new ATOM 0 HB3 SER A 395 21.486 -12.024 -2.111 1.00 61.01 H new ATOM 0 HG SER A 395 21.575 -13.340 -0.190 1.00 60.13 H new ATOM 1164 N ASP A 396 19.654 -9.408 -3.302 1.00 62.41 N ATOM 1165 CA ASP A 396 19.362 -8.854 -4.641 1.00 42.12 C ATOM 1166 C ASP A 396 17.879 -8.697 -5.009 1.00 23.35 C ATOM 1167 O ASP A 396 17.562 -8.213 -6.090 1.00 21.32 O ATOM 1168 CB ASP A 396 20.137 -9.583 -5.748 1.00 71.41 C ATOM 1169 CG ASP A 396 21.642 -9.433 -5.609 1.00 74.51 C ATOM 1170 OD1 ASP A 396 22.252 -10.235 -4.861 1.00 41.20 O ATOM 1171 OD2 ASP A 396 22.215 -8.520 -6.241 1.00 45.01 O ATOM 0 H ASP A 396 20.249 -8.783 -2.758 1.00 62.41 H new ATOM 0 HA ASP A 396 19.723 -7.828 -4.566 1.00 42.12 H new ATOM 0 HB2 ASP A 396 19.879 -10.642 -5.729 1.00 71.41 H new ATOM 0 HB3 ASP A 396 19.826 -9.196 -6.718 1.00 71.41 H new ATOM 1176 N PHE A 397 16.972 -9.039 -4.122 1.00 72.44 N ATOM 1177 CA PHE A 397 15.575 -8.853 -4.405 1.00 24.42 C ATOM 1178 C PHE A 397 14.788 -8.813 -3.107 1.00 41.53 C ATOM 1179 O PHE A 397 14.920 -9.699 -2.260 1.00 45.00 O ATOM 1180 CB PHE A 397 15.055 -9.963 -5.326 1.00 54.44 C ATOM 1181 CG PHE A 397 13.907 -9.525 -6.180 1.00 41.33 C ATOM 1182 CD1 PHE A 397 14.149 -8.925 -7.406 1.00 62.03 C ATOM 1183 CD2 PHE A 397 12.602 -9.694 -5.769 1.00 41.33 C ATOM 1184 CE1 PHE A 397 13.112 -8.505 -8.205 1.00 43.12 C ATOM 1185 CE2 PHE A 397 11.561 -9.272 -6.565 1.00 21.43 C ATOM 1186 CZ PHE A 397 11.814 -8.678 -7.785 1.00 14.45 C ATOM 0 H PHE A 397 17.178 -9.443 -3.208 1.00 72.44 H new ATOM 0 HA PHE A 397 15.444 -7.903 -4.923 1.00 24.42 H new ATOM 0 HB2 PHE A 397 15.867 -10.306 -5.967 1.00 54.44 H new ATOM 0 HB3 PHE A 397 14.746 -10.815 -4.720 1.00 54.44 H new ATOM 0 HD1 PHE A 397 15.167 -8.785 -7.738 1.00 62.03 H new ATOM 0 HD2 PHE A 397 12.395 -10.160 -4.817 1.00 41.33 H new ATOM 0 HE1 PHE A 397 13.316 -8.041 -9.159 1.00 43.12 H new ATOM 0 HE2 PHE A 397 10.542 -9.406 -6.233 1.00 21.43 H new ATOM 0 HZ PHE A 397 10.995 -8.350 -8.408 1.00 14.45 H new ATOM 1196 N VAL A 398 14.036 -7.751 -2.930 1.00 64.13 N ATOM 1197 CA VAL A 398 13.225 -7.521 -1.752 1.00 24.22 C ATOM 1198 C VAL A 398 11.901 -6.884 -2.199 1.00 44.24 C ATOM 1199 O VAL A 398 11.873 -6.138 -3.172 1.00 5.42 O ATOM 1200 CB VAL A 398 13.912 -6.494 -0.777 1.00 24.21 C ATOM 1201 CG1 VAL A 398 13.184 -6.395 0.551 1.00 12.22 C ATOM 1202 CG2 VAL A 398 15.393 -6.771 -0.561 1.00 13.42 C ATOM 0 H VAL A 398 13.968 -7.002 -3.619 1.00 64.13 H new ATOM 0 HA VAL A 398 13.084 -8.475 -1.243 1.00 24.22 H new ATOM 0 HB VAL A 398 13.841 -5.528 -1.276 1.00 24.21 H new ATOM 0 HG11 VAL A 398 13.693 -5.675 1.192 1.00 12.22 H new ATOM 0 HG12 VAL A 398 12.158 -6.067 0.380 1.00 12.22 H new ATOM 0 HG13 VAL A 398 13.177 -7.371 1.036 1.00 12.22 H new ATOM 0 HG21 VAL A 398 15.807 -6.028 0.121 1.00 13.42 H new ATOM 0 HG22 VAL A 398 15.518 -7.766 -0.133 1.00 13.42 H new ATOM 0 HG23 VAL A 398 15.916 -6.718 -1.516 1.00 13.42 H new ATOM 1212 N TYR A 399 10.831 -7.201 -1.522 1.00 51.25 N ATOM 1213 CA TYR A 399 9.547 -6.550 -1.729 1.00 52.21 C ATOM 1214 C TYR A 399 9.165 -5.792 -0.466 1.00 21.43 C ATOM 1215 O TYR A 399 8.671 -6.377 0.480 1.00 64.33 O ATOM 1216 CB TYR A 399 8.451 -7.570 -2.054 1.00 1.33 C ATOM 1217 CG TYR A 399 8.375 -7.971 -3.502 1.00 63.25 C ATOM 1218 CD1 TYR A 399 8.071 -7.029 -4.477 1.00 10.43 C ATOM 1219 CD2 TYR A 399 8.576 -9.284 -3.897 1.00 40.45 C ATOM 1220 CE1 TYR A 399 7.975 -7.381 -5.803 1.00 3.34 C ATOM 1221 CE2 TYR A 399 8.482 -9.646 -5.226 1.00 55.33 C ATOM 1222 CZ TYR A 399 8.181 -8.688 -6.175 1.00 65.21 C ATOM 1223 OH TYR A 399 8.093 -9.038 -7.499 1.00 62.23 O ATOM 0 H TYR A 399 10.816 -7.924 -0.802 1.00 51.25 H new ATOM 0 HA TYR A 399 9.640 -5.867 -2.573 1.00 52.21 H new ATOM 0 HB2 TYR A 399 8.615 -8.464 -1.452 1.00 1.33 H new ATOM 0 HB3 TYR A 399 7.488 -7.156 -1.755 1.00 1.33 H new ATOM 0 HD1 TYR A 399 7.907 -6.001 -4.188 1.00 10.43 H new ATOM 0 HD2 TYR A 399 8.809 -10.034 -3.156 1.00 40.45 H new ATOM 0 HE1 TYR A 399 7.739 -6.635 -6.547 1.00 3.34 H new ATOM 0 HE2 TYR A 399 8.643 -10.672 -5.522 1.00 55.33 H new ATOM 0 HH TYR A 399 8.266 -9.998 -7.596 1.00 62.23 H new ATOM 1233 N LEU A 400 9.426 -4.529 -0.437 1.00 14.52 N ATOM 1234 CA LEU A 400 9.159 -3.722 0.730 1.00 33.33 C ATOM 1235 C LEU A 400 7.734 -3.208 0.698 1.00 23.05 C ATOM 1236 O LEU A 400 7.267 -2.763 -0.326 1.00 71.55 O ATOM 1237 CB LEU A 400 10.214 -2.596 0.832 1.00 4.41 C ATOM 1238 CG LEU A 400 10.065 -1.553 1.952 1.00 25.42 C ATOM 1239 CD1 LEU A 400 11.434 -1.008 2.312 1.00 52.42 C ATOM 1240 CD2 LEU A 400 9.214 -0.389 1.469 1.00 40.32 C ATOM 0 H LEU A 400 9.832 -4.015 -1.219 1.00 14.52 H new ATOM 0 HA LEU A 400 9.246 -4.324 1.634 1.00 33.33 H new ATOM 0 HB2 LEU A 400 11.191 -3.066 0.944 1.00 4.41 H new ATOM 0 HB3 LEU A 400 10.224 -2.063 -0.119 1.00 4.41 H new ATOM 0 HG LEU A 400 9.596 -2.029 2.814 1.00 25.42 H new ATOM 0 HD11 LEU A 400 11.334 -0.268 3.106 1.00 52.42 H new ATOM 0 HD12 LEU A 400 12.072 -1.823 2.654 1.00 52.42 H new ATOM 0 HD13 LEU A 400 11.882 -0.541 1.435 1.00 52.42 H new ATOM 0 HD21 LEU A 400 9.114 0.345 2.269 1.00 40.32 H new ATOM 0 HD22 LEU A 400 9.691 0.077 0.607 1.00 40.32 H new ATOM 0 HD23 LEU A 400 8.227 -0.753 1.185 1.00 40.32 H new ATOM 1252 N LYS A 401 7.048 -3.301 1.802 1.00 64.33 N ATOM 1253 CA LYS A 401 5.686 -2.855 1.883 1.00 63.12 C ATOM 1254 C LYS A 401 5.588 -1.801 2.973 1.00 64.40 C ATOM 1255 O LYS A 401 5.697 -2.104 4.163 1.00 64.34 O ATOM 1256 CB LYS A 401 4.777 -4.038 2.194 1.00 70.31 C ATOM 1257 CG LYS A 401 3.296 -3.745 2.093 1.00 2.54 C ATOM 1258 CD LYS A 401 2.486 -4.932 2.572 1.00 12.00 C ATOM 1259 CE LYS A 401 1.001 -4.696 2.412 1.00 35.45 C ATOM 1260 NZ LYS A 401 0.560 -4.773 0.996 1.00 62.32 N ATOM 0 H LYS A 401 7.417 -3.688 2.671 1.00 64.33 H new ATOM 0 HA LYS A 401 5.370 -2.423 0.933 1.00 63.12 H new ATOM 0 HB2 LYS A 401 5.019 -4.853 1.512 1.00 70.31 H new ATOM 0 HB3 LYS A 401 4.995 -4.391 3.202 1.00 70.31 H new ATOM 0 HG2 LYS A 401 3.052 -2.866 2.690 1.00 2.54 H new ATOM 0 HG3 LYS A 401 3.035 -3.512 1.061 1.00 2.54 H new ATOM 0 HD2 LYS A 401 2.776 -5.821 2.011 1.00 12.00 H new ATOM 0 HD3 LYS A 401 2.713 -5.128 3.620 1.00 12.00 H new ATOM 0 HE2 LYS A 401 0.454 -5.433 3.000 1.00 35.45 H new ATOM 0 HE3 LYS A 401 0.747 -3.716 2.815 1.00 35.45 H new ATOM 0 HZ1 LYS A 401 -0.433 -4.472 0.925 1.00 62.32 H new ATOM 0 HZ2 LYS A 401 1.154 -4.149 0.413 1.00 62.32 H new ATOM 0 HZ3 LYS A 401 0.650 -5.752 0.657 1.00 62.32 H new ATOM 1274 N VAL A 402 5.410 -0.585 2.565 1.00 13.30 N ATOM 1275 CA VAL A 402 5.382 0.544 3.457 1.00 74.44 C ATOM 1276 C VAL A 402 3.995 1.235 3.444 1.00 22.31 C ATOM 1277 O VAL A 402 3.219 1.147 2.445 1.00 20.35 O ATOM 1278 CB VAL A 402 6.519 1.561 3.076 1.00 43.14 C ATOM 1279 CG1 VAL A 402 6.415 2.047 1.649 1.00 34.41 C ATOM 1280 CG2 VAL A 402 6.543 2.731 3.991 1.00 74.41 C ATOM 0 H VAL A 402 5.277 -0.338 1.584 1.00 13.30 H new ATOM 0 HA VAL A 402 5.560 0.185 4.471 1.00 74.44 H new ATOM 0 HB VAL A 402 7.451 1.005 3.179 1.00 43.14 H new ATOM 0 HG11 VAL A 402 7.225 2.746 1.443 1.00 34.41 H new ATOM 0 HG12 VAL A 402 6.486 1.198 0.969 1.00 34.41 H new ATOM 0 HG13 VAL A 402 5.458 2.548 1.504 1.00 34.41 H new ATOM 0 HG21 VAL A 402 7.343 3.409 3.693 1.00 74.41 H new ATOM 0 HG22 VAL A 402 5.587 3.252 3.940 1.00 74.41 H new ATOM 0 HG23 VAL A 402 6.717 2.391 5.012 1.00 74.41 H new ATOM 1290 N ALA A 403 3.678 1.849 4.557 1.00 62.22 N ATOM 1291 CA ALA A 403 2.494 2.620 4.762 1.00 72.42 C ATOM 1292 C ALA A 403 2.881 3.893 5.510 1.00 24.43 C ATOM 1293 O ALA A 403 3.954 3.965 6.082 1.00 4.24 O ATOM 1294 CB ALA A 403 1.469 1.825 5.558 1.00 41.41 C ATOM 0 H ALA A 403 4.276 1.818 5.383 1.00 62.22 H new ATOM 0 HA ALA A 403 2.042 2.872 3.803 1.00 72.42 H new ATOM 0 HB1 ALA A 403 0.574 2.429 5.704 1.00 41.41 H new ATOM 0 HB2 ALA A 403 1.209 0.917 5.013 1.00 41.41 H new ATOM 0 HB3 ALA A 403 1.889 1.558 6.528 1.00 41.41 H new ATOM 1300 N LYS A 404 2.067 4.904 5.425 1.00 45.23 N ATOM 1301 CA LYS A 404 2.271 6.111 6.210 1.00 52.41 C ATOM 1302 C LYS A 404 1.755 5.853 7.649 1.00 13.14 C ATOM 1303 O LYS A 404 0.951 4.922 7.847 1.00 43.33 O ATOM 1304 CB LYS A 404 1.578 7.305 5.522 1.00 65.10 C ATOM 1305 CG LYS A 404 2.332 7.939 4.324 1.00 42.43 C ATOM 1306 CD LYS A 404 3.536 8.810 4.773 1.00 32.43 C ATOM 1307 CE LYS A 404 4.870 8.075 4.753 1.00 70.10 C ATOM 1308 NZ LYS A 404 5.404 7.922 3.376 1.00 65.32 N ATOM 0 H LYS A 404 1.247 4.927 4.819 1.00 45.23 H new ATOM 0 HA LYS A 404 3.329 6.366 6.276 1.00 52.41 H new ATOM 0 HB2 LYS A 404 0.598 6.978 5.175 1.00 65.10 H new ATOM 0 HB3 LYS A 404 1.410 8.080 6.270 1.00 65.10 H new ATOM 0 HG2 LYS A 404 2.686 7.148 3.662 1.00 42.43 H new ATOM 0 HG3 LYS A 404 1.640 8.552 3.746 1.00 42.43 H new ATOM 0 HD2 LYS A 404 3.603 9.683 4.123 1.00 32.43 H new ATOM 0 HD3 LYS A 404 3.350 9.178 5.782 1.00 32.43 H new ATOM 0 HE2 LYS A 404 5.592 8.618 5.363 1.00 70.10 H new ATOM 0 HE3 LYS A 404 4.748 7.091 5.205 1.00 70.10 H new ATOM 0 HZ1 LYS A 404 6.039 7.099 3.339 1.00 65.32 H new ATOM 0 HZ2 LYS A 404 4.616 7.781 2.712 1.00 65.32 H new ATOM 0 HZ3 LYS A 404 5.931 8.778 3.111 1.00 65.32 H new ATOM 1538 N ASN B 147 16.772 2.138 18.804 1.00 53.30 N ATOM 1539 CA ASN B 147 17.963 2.067 18.068 1.00 14.22 C ATOM 1540 C ASN B 147 17.620 1.971 16.638 1.00 61.53 C ATOM 1541 O ASN B 147 16.633 1.318 16.271 1.00 72.13 O ATOM 1542 CB ASN B 147 18.893 0.874 18.541 1.00 13.30 C ATOM 1543 CG ASN B 147 18.373 -0.606 18.346 1.00 42.32 C ATOM 1544 OD1 ASN B 147 17.686 -0.910 17.266 1.00 41.42 O flip ATOM 1545 ND2 ASN B 147 18.642 -1.481 19.173 1.00 63.23 N flip ATOM 0 HA ASN B 147 18.547 2.971 18.241 1.00 14.22 H new ATOM 0 HB2 ASN B 147 19.843 0.964 18.014 1.00 13.30 H new ATOM 0 HB3 ASN B 147 19.102 1.016 19.601 1.00 13.30 H new ATOM 0 HD21 ASN B 147 19.175 -1.245 20.010 1.00 63.23 H new ATOM 0 HD22 ASN B 147 18.332 -2.440 19.020 1.00 63.23 H new ATOM 1552 N GLU B 148 18.315 2.692 15.853 1.00 21.11 N ATOM 1553 CA GLU B 148 18.154 2.592 14.465 1.00 32.32 C ATOM 1554 C GLU B 148 19.205 1.658 13.928 1.00 24.15 C ATOM 1555 O GLU B 148 20.325 1.610 14.438 1.00 3.11 O ATOM 1556 CB GLU B 148 18.123 3.957 13.795 1.00 1.42 C ATOM 1557 CG GLU B 148 19.334 4.834 14.027 1.00 11.41 C ATOM 1558 CD GLU B 148 19.111 6.207 13.459 1.00 13.45 C ATOM 1559 OE1 GLU B 148 18.624 6.315 12.325 1.00 10.03 O ATOM 1560 OE2 GLU B 148 19.363 7.213 14.141 1.00 64.44 O ATOM 0 H GLU B 148 19.014 3.370 16.157 1.00 21.11 H new ATOM 0 HA GLU B 148 17.180 2.164 14.227 1.00 32.32 H new ATOM 0 HB2 GLU B 148 18.005 3.811 12.721 1.00 1.42 H new ATOM 0 HB3 GLU B 148 17.239 4.491 14.143 1.00 1.42 H new ATOM 0 HG2 GLU B 148 19.538 4.906 15.095 1.00 11.41 H new ATOM 0 HG3 GLU B 148 20.211 4.382 13.564 1.00 11.41 H new ATOM 1567 N THR B 149 18.843 0.861 12.992 1.00 41.15 N ATOM 1568 CA THR B 149 19.740 -0.113 12.481 1.00 42.14 C ATOM 1569 C THR B 149 19.728 -0.143 10.965 1.00 14.20 C ATOM 1570 O THR B 149 18.664 -0.068 10.341 1.00 62.40 O ATOM 1571 CB THR B 149 19.357 -1.496 13.029 1.00 53.02 C ATOM 1572 OG1 THR B 149 19.395 -1.444 14.460 1.00 62.13 O ATOM 1573 CG2 THR B 149 20.316 -2.570 12.530 1.00 62.23 C ATOM 0 H THR B 149 17.920 0.863 12.558 1.00 41.15 H new ATOM 0 HA THR B 149 20.748 0.152 12.802 1.00 42.14 H new ATOM 0 HB THR B 149 18.356 -1.752 12.681 1.00 53.02 H new ATOM 0 HG1 THR B 149 19.151 -2.320 14.826 1.00 62.13 H new ATOM 0 HG21 THR B 149 20.020 -3.538 12.934 1.00 62.23 H new ATOM 0 HG22 THR B 149 20.286 -2.607 11.441 1.00 62.23 H new ATOM 0 HG23 THR B 149 21.329 -2.334 12.858 1.00 62.23 H new ATOM 1581 N GLN B 150 20.917 -0.215 10.385 1.00 43.41 N ATOM 1582 CA GLN B 150 21.067 -0.345 8.967 1.00 70.51 C ATOM 1583 C GLN B 150 20.857 -1.814 8.594 1.00 34.31 C ATOM 1584 O GLN B 150 21.507 -2.723 9.143 1.00 72.12 O ATOM 1585 CB GLN B 150 22.439 0.142 8.522 1.00 63.45 C ATOM 1586 CG GLN B 150 22.626 0.164 7.016 1.00 22.12 C ATOM 1587 CD GLN B 150 24.035 0.530 6.615 1.00 33.10 C ATOM 1588 OE1 GLN B 150 24.885 -0.321 6.474 1.00 4.21 O ATOM 1589 NE2 GLN B 150 24.289 1.799 6.439 1.00 63.31 N ATOM 0 H GLN B 150 21.799 -0.184 10.897 1.00 43.41 H new ATOM 0 HA GLN B 150 20.327 0.272 8.457 1.00 70.51 H new ATOM 0 HB2 GLN B 150 22.601 1.146 8.913 1.00 63.45 H new ATOM 0 HB3 GLN B 150 23.202 -0.499 8.964 1.00 63.45 H new ATOM 0 HG2 GLN B 150 22.378 -0.816 6.608 1.00 22.12 H new ATOM 0 HG3 GLN B 150 21.929 0.878 6.577 1.00 22.12 H new ATOM 0 HE21 GLN B 150 23.549 2.490 6.566 1.00 63.31 H new ATOM 0 HE22 GLN B 150 25.227 2.099 6.174 1.00 63.31 H new ATOM 1598 N VAL B 151 19.941 -2.017 7.720 1.00 73.04 N ATOM 1599 CA VAL B 151 19.479 -3.320 7.287 1.00 51.11 C ATOM 1600 C VAL B 151 20.327 -3.992 6.177 1.00 12.40 C ATOM 1601 O VAL B 151 20.349 -3.510 5.024 1.00 41.34 O ATOM 1602 CB VAL B 151 17.990 -3.266 6.913 1.00 61.31 C ATOM 1603 CG1 VAL B 151 17.174 -3.058 8.177 1.00 44.11 C ATOM 1604 CG2 VAL B 151 17.709 -2.122 5.933 1.00 43.32 C ATOM 1605 OXT VAL B 151 20.925 -5.085 6.472 1.00 38.20 O ATOM 0 H VAL B 151 19.457 -1.251 7.252 1.00 73.04 H new ATOM 0 HA VAL B 151 19.614 -3.974 8.149 1.00 51.11 H new ATOM 0 HB VAL B 151 17.715 -4.204 6.431 1.00 61.31 H new ATOM 0 HG11 VAL B 151 16.115 -3.018 7.924 1.00 44.11 H new ATOM 0 HG12 VAL B 151 17.352 -3.885 8.865 1.00 44.11 H new ATOM 0 HG13 VAL B 151 17.469 -2.122 8.651 1.00 44.11 H new ATOM 0 HG21 VAL B 151 16.648 -2.107 5.686 1.00 43.32 H new ATOM 0 HG22 VAL B 151 17.988 -1.173 6.392 1.00 43.32 H new ATOM 0 HG23 VAL B 151 18.292 -2.270 5.024 1.00 43.32 H new