USER MOD reduce.3.24.130724 H: found=0, std=0, add=1072, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 1070 hydrogens (13 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 HE2:sc= -8.74! C(o=-9.3!,f=-11!) USER MOD Set 1.2: A 408 ASN : amide:sc= -0.543 K(o=-9.3,f=-11) USER MOD Single : A 316 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 318 GLN : amide:sc= -1.63! C(o=-1.6!,f=-6.9!) USER MOD Single : A 320 SER OG : rot -136:sc= -2.02! USER MOD Single : A 326 GLN : amide:sc= 0 X(o=0,f=-0.035) USER MOD Single : A 331 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 332 THR OG1 : rot 180:sc= 0 USER MOD Single : A 338 GLN : amide:sc= -17.9! C(o=-18!,f=-35!) USER MOD Single : A 341 SER OG : rot -107:sc= -2.05! USER MOD Single : A 346 THR OG1 : rot 180:sc= 0.063 USER MOD Single : A 351 SER OG : rot 70:sc= -0.186 USER MOD Single : A 357 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 358 GLN : amide:sc= -0.31 K(o=-0.31,f=-0.85) USER MOD Single : A 361 ASN : amide:sc= -0.0064 X(o=-0.0064,f=-0.045) USER MOD Single : A 368 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 369 SER OG : rot -150:sc= -2.62! USER MOD Single : A 371 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 373 THR OG1 : rot 180:sc= 0 USER MOD Single : A 378 THR OG1 : rot 180:sc= 0 USER MOD Single : A 380 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 381 SER OG : rot 180:sc= 0 USER MOD Single : A 383 MET CE :methyl -115:sc= -1.65 (180deg=-8.71!) USER MOD Single : A 384 SER OG : rot -132:sc= -0.414! USER MOD Single : A 387 ASN : amide:sc= -2.79! K(o=-2.8!,f=-1.4) USER MOD Single : A 390 ASN : amide:sc= -0.0903 K(o=-0.09,f=-2.4!) USER MOD Single : A 392 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 395 LYS NZ :NH3+ -176:sc= -10.5! (180deg=-10.8!) USER MOD Single : A 397 SER OG : rot 96:sc= -1.1 USER MOD Single : A 411 HIS : no HD1:sc= -0.43 K(o=-0.43,f=-1.1) USER MOD Single : A 414 THR OG1 : rot 180:sc= 0 USER MOD Single : A 418 GLN : amide:sc= -2.52! C(o=-2.5!,f=-3!) USER MOD Single : A 419 LYS NZ :NH3+ 157:sc= 0 (180deg=-0.526) USER MOD Single : A 422 GLN : amide:sc= -0.498 X(o=-0.5,f=-0.31) USER MOD Single : A 426 GLN : amide:sc= -0.151 K(o=-0.15,f=-1.8!) 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 Single : A 450 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1001 ANP O2' : rot -24:sc= -8.37! USER MOD Single : A1001 ANP O3' : rot 163:sc= -6.32! USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 316 118.900 -6.727 -3.908 1.00 4.45 N ATOM 2 CA ASN A 316 117.414 -6.759 -4.028 1.00 3.89 C ATOM 3 C ASN A 316 116.769 -6.210 -2.752 1.00 2.72 C ATOM 4 O ASN A 316 117.362 -6.222 -1.691 1.00 2.74 O ATOM 5 CB ASN A 316 117.064 -8.235 -4.217 1.00 4.56 C ATOM 6 CG ASN A 316 117.664 -8.738 -5.530 1.00 5.35 C ATOM 7 OD1 ASN A 316 117.980 -7.958 -6.405 1.00 5.50 O ATOM 8 ND2 ASN A 316 117.837 -10.020 -5.706 1.00 6.08 N ATOM 0 HA ASN A 316 117.052 -6.147 -4.854 1.00 3.89 H new ATOM 0 HB2 ASN A 316 117.448 -8.820 -3.382 1.00 4.56 H new ATOM 0 HB3 ASN A 316 115.982 -8.365 -4.226 1.00 4.56 H new ATOM 0 HD21 ASN A 316 118.237 -10.366 -6.578 1.00 6.08 H new ATOM 0 HD22 ASN A 316 117.572 -10.676 -4.971 1.00 6.08 H new ATOM 15 N ARG A 317 115.567 -5.710 -2.850 1.00 2.20 N ATOM 16 CA ARG A 317 114.898 -5.143 -1.645 1.00 1.30 C ATOM 17 C ARG A 317 113.499 -5.742 -1.478 1.00 1.48 C ATOM 18 O ARG A 317 112.791 -5.975 -2.437 1.00 1.26 O ATOM 19 CB ARG A 317 114.814 -3.640 -1.908 1.00 1.52 C ATOM 20 CG ARG A 317 116.227 -3.052 -1.945 1.00 2.49 C ATOM 21 CD ARG A 317 116.147 -1.529 -2.077 1.00 3.27 C ATOM 22 NE ARG A 317 115.412 -1.288 -3.351 1.00 4.34 N ATOM 23 CZ ARG A 317 115.280 -0.073 -3.813 1.00 5.21 C ATOM 24 NH1 ARG A 317 115.788 0.939 -3.160 1.00 5.83 N ATOM 25 NH2 ARG A 317 114.639 0.131 -4.930 1.00 5.72 N ATOM 0 H ARG A 317 115.021 -5.670 -3.710 1.00 2.20 H new ATOM 0 HA ARG A 317 115.445 -5.366 -0.729 1.00 1.30 H new ATOM 0 HB2 ARG A 317 114.305 -3.453 -2.854 1.00 1.52 H new ATOM 0 HB3 ARG A 317 114.226 -3.155 -1.128 1.00 1.52 H new ATOM 0 HG2 ARG A 317 116.767 -3.320 -1.037 1.00 2.49 H new ATOM 0 HG3 ARG A 317 116.784 -3.471 -2.783 1.00 2.49 H new ATOM 0 HD2 ARG A 317 115.623 -1.087 -1.230 1.00 3.27 H new ATOM 0 HD3 ARG A 317 117.141 -1.083 -2.105 1.00 3.27 H new ATOM 0 HE ARG A 317 115.011 -2.074 -3.863 1.00 4.34 H new ATOM 0 HH11 ARG A 317 116.290 0.782 -2.286 1.00 5.83 H new ATOM 0 HH12 ARG A 317 115.683 1.886 -3.524 1.00 5.83 H new ATOM 0 HH21 ARG A 317 114.242 -0.657 -5.441 1.00 5.72 H new ATOM 0 HH22 ARG A 317 114.535 1.079 -5.292 1.00 5.72 H new ATOM 39 N GLN A 318 113.093 -5.968 -0.261 1.00 2.19 N ATOM 40 CA GLN A 318 111.731 -6.525 -0.015 1.00 2.64 C ATOM 41 C GLN A 318 111.143 -5.921 1.262 1.00 2.16 C ATOM 42 O GLN A 318 111.860 -5.558 2.171 1.00 2.69 O ATOM 43 CB GLN A 318 111.945 -8.029 0.162 1.00 3.37 C ATOM 44 CG GLN A 318 112.743 -8.285 1.442 1.00 4.16 C ATOM 45 CD GLN A 318 112.929 -9.791 1.635 1.00 4.79 C ATOM 46 OE1 GLN A 318 113.812 -10.386 1.050 1.00 4.85 O ATOM 47 NE2 GLN A 318 112.129 -10.437 2.438 1.00 5.58 N ATOM 0 H GLN A 318 113.646 -5.791 0.578 1.00 2.19 H new ATOM 0 HA GLN A 318 111.039 -6.302 -0.828 1.00 2.64 H new ATOM 0 HB2 GLN A 318 110.984 -8.540 0.212 1.00 3.37 H new ATOM 0 HB3 GLN A 318 112.477 -8.435 -0.698 1.00 3.37 H new ATOM 0 HG2 GLN A 318 113.714 -7.793 1.383 1.00 4.16 H new ATOM 0 HG3 GLN A 318 112.222 -7.859 2.299 1.00 4.16 H new ATOM 0 HE21 GLN A 318 111.388 -9.938 2.929 1.00 5.58 H new ATOM 0 HE22 GLN A 318 112.245 -11.441 2.574 1.00 5.58 H new ATOM 56 N ALA A 319 109.845 -5.875 1.372 1.00 1.32 N ATOM 57 CA ALA A 319 109.234 -5.366 2.633 1.00 1.05 C ATOM 58 C ALA A 319 109.470 -6.359 3.767 1.00 0.89 C ATOM 59 O ALA A 319 109.166 -7.530 3.652 1.00 1.18 O ATOM 60 CB ALA A 319 107.740 -5.257 2.344 1.00 1.42 C ATOM 0 H ALA A 319 109.185 -6.165 0.651 1.00 1.32 H new ATOM 0 HA ALA A 319 109.664 -4.411 2.936 1.00 1.05 H new ATOM 0 HB1 ALA A 319 107.224 -4.887 3.230 1.00 1.42 H new ATOM 0 HB2 ALA A 319 107.579 -4.567 1.516 1.00 1.42 H new ATOM 0 HB3 ALA A 319 107.348 -6.239 2.079 1.00 1.42 H new ATOM 66 N SER A 320 109.907 -5.886 4.897 1.00 0.59 N ATOM 67 CA SER A 320 110.036 -6.794 6.068 1.00 0.64 C ATOM 68 C SER A 320 108.967 -6.468 7.116 1.00 0.49 C ATOM 69 O SER A 320 108.428 -7.348 7.759 1.00 0.50 O ATOM 70 CB SER A 320 111.436 -6.539 6.624 1.00 0.78 C ATOM 71 OG SER A 320 112.358 -7.421 5.996 1.00 1.60 O ATOM 0 H SER A 320 110.179 -4.917 5.061 1.00 0.59 H new ATOM 0 HA SER A 320 109.897 -7.839 5.793 1.00 0.64 H new ATOM 0 HB2 SER A 320 111.727 -5.504 6.447 1.00 0.78 H new ATOM 0 HB3 SER A 320 111.445 -6.693 7.703 1.00 0.78 H new ATOM 0 HG SER A 320 112.962 -7.796 6.670 1.00 1.60 H new ATOM 77 N GLU A 321 108.653 -5.213 7.293 1.00 0.45 N ATOM 78 CA GLU A 321 107.616 -4.844 8.299 1.00 0.44 C ATOM 79 C GLU A 321 106.850 -3.599 7.853 1.00 0.37 C ATOM 80 O GLU A 321 107.423 -2.653 7.364 1.00 0.35 O ATOM 81 CB GLU A 321 108.386 -4.556 9.582 1.00 0.59 C ATOM 82 CG GLU A 321 107.407 -4.141 10.681 1.00 0.73 C ATOM 83 CD GLU A 321 108.185 -3.764 11.943 1.00 1.02 C ATOM 84 OE1 GLU A 321 109.403 -3.810 11.900 1.00 1.82 O ATOM 85 OE2 GLU A 321 107.549 -3.434 12.930 1.00 1.30 O ATOM 0 H GLU A 321 109.068 -4.430 6.787 1.00 0.45 H new ATOM 0 HA GLU A 321 106.881 -5.638 8.430 1.00 0.44 H new ATOM 0 HB2 GLU A 321 108.943 -5.441 9.891 1.00 0.59 H new ATOM 0 HB3 GLU A 321 109.115 -3.764 9.411 1.00 0.59 H new ATOM 0 HG2 GLU A 321 106.805 -3.296 10.346 1.00 0.73 H new ATOM 0 HG3 GLU A 321 106.718 -4.958 10.896 1.00 0.73 H new ATOM 92 N PHE A 322 105.584 -3.546 8.139 1.00 0.40 N ATOM 93 CA PHE A 322 104.806 -2.303 7.862 1.00 0.37 C ATOM 94 C PHE A 322 104.267 -1.720 9.168 1.00 0.38 C ATOM 95 O PHE A 322 103.925 -2.440 10.086 1.00 0.42 O ATOM 96 CB PHE A 322 103.665 -2.740 6.943 1.00 0.41 C ATOM 97 CG PHE A 322 102.916 -3.886 7.575 1.00 0.52 C ATOM 98 CD1 PHE A 322 103.316 -5.206 7.321 1.00 0.67 C ATOM 99 CD2 PHE A 322 101.822 -3.633 8.413 1.00 0.94 C ATOM 100 CE1 PHE A 322 102.621 -6.273 7.907 1.00 0.87 C ATOM 101 CE2 PHE A 322 101.128 -4.701 8.998 1.00 1.14 C ATOM 102 CZ PHE A 322 101.528 -6.021 8.745 1.00 1.00 C ATOM 0 H PHE A 322 105.049 -4.309 8.554 1.00 0.40 H new ATOM 0 HA PHE A 322 105.415 -1.526 7.399 1.00 0.37 H new ATOM 0 HB2 PHE A 322 102.988 -1.904 6.765 1.00 0.41 H new ATOM 0 HB3 PHE A 322 104.061 -3.042 5.973 1.00 0.41 H new ATOM 0 HD1 PHE A 322 104.159 -5.400 6.674 1.00 0.67 H new ATOM 0 HD2 PHE A 322 101.514 -2.616 8.608 1.00 0.94 H new ATOM 0 HE1 PHE A 322 102.929 -7.290 7.712 1.00 0.87 H new ATOM 0 HE2 PHE A 322 100.285 -4.507 9.644 1.00 1.14 H new ATOM 0 HZ PHE A 322 100.993 -6.843 9.197 1.00 1.00 H new ATOM 112 N ILE A 323 104.168 -0.422 9.254 1.00 0.37 N ATOM 113 CA ILE A 323 103.624 0.196 10.501 1.00 0.41 C ATOM 114 C ILE A 323 102.606 1.292 10.167 1.00 0.43 C ATOM 115 O ILE A 323 102.830 2.097 9.286 1.00 0.53 O ATOM 116 CB ILE A 323 104.823 0.799 11.224 1.00 0.44 C ATOM 117 CG1 ILE A 323 106.019 -0.155 11.142 1.00 0.46 C ATOM 118 CG2 ILE A 323 104.449 1.017 12.689 1.00 0.48 C ATOM 119 CD1 ILE A 323 106.911 0.243 9.964 1.00 0.52 C ATOM 0 H ILE A 323 104.437 0.235 8.522 1.00 0.37 H new ATOM 0 HA ILE A 323 103.108 -0.543 11.114 1.00 0.41 H new ATOM 0 HB ILE A 323 105.094 1.746 10.758 1.00 0.44 H new ATOM 0 HG12 ILE A 323 106.589 -0.121 12.071 1.00 0.46 H new ATOM 0 HG13 ILE A 323 105.672 -1.181 11.018 1.00 0.46 H new ATOM 0 HG21 ILE A 323 105.297 1.448 13.221 1.00 0.48 H new ATOM 0 HG22 ILE A 323 103.599 1.696 12.750 1.00 0.48 H new ATOM 0 HG23 ILE A 323 104.184 0.062 13.143 1.00 0.48 H new ATOM 0 HD11 ILE A 323 107.762 -0.436 9.906 1.00 0.52 H new ATOM 0 HD12 ILE A 323 106.338 0.187 9.038 1.00 0.52 H new ATOM 0 HD13 ILE A 323 107.269 1.262 10.107 1.00 0.52 H new ATOM 131 N PRO A 324 101.491 1.242 10.848 1.00 0.36 N ATOM 132 CA PRO A 324 100.384 2.192 10.576 1.00 0.40 C ATOM 133 C PRO A 324 100.815 3.636 10.825 1.00 0.64 C ATOM 134 O PRO A 324 101.694 3.910 11.619 1.00 1.44 O ATOM 135 CB PRO A 324 99.290 1.795 11.563 1.00 0.33 C ATOM 136 CG PRO A 324 99.683 0.461 12.111 1.00 0.30 C ATOM 137 CD PRO A 324 101.165 0.309 11.927 1.00 0.29 C ATOM 0 HA PRO A 324 100.058 2.145 9.537 1.00 0.40 H new ATOM 0 HB2 PRO A 324 99.200 2.532 12.361 1.00 0.33 H new ATOM 0 HB3 PRO A 324 98.320 1.742 11.068 1.00 0.33 H new ATOM 0 HG2 PRO A 324 99.419 0.389 13.166 1.00 0.30 H new ATOM 0 HG3 PRO A 324 99.150 -0.337 11.594 1.00 0.30 H new ATOM 0 HD2 PRO A 324 101.707 0.552 12.841 1.00 0.29 H new ATOM 0 HD3 PRO A 324 101.430 -0.714 11.662 1.00 0.29 H new ATOM 145 N ALA A 325 100.117 4.563 10.232 1.00 0.75 N ATOM 146 CA ALA A 325 100.382 5.998 10.513 1.00 0.98 C ATOM 147 C ALA A 325 99.761 6.386 11.852 1.00 0.81 C ATOM 148 O ALA A 325 99.424 5.543 12.660 1.00 1.11 O ATOM 149 CB ALA A 325 99.704 6.753 9.369 1.00 1.58 C ATOM 0 H ALA A 325 99.370 4.386 9.561 1.00 0.75 H new ATOM 0 HA ALA A 325 101.447 6.223 10.575 1.00 0.98 H new ATOM 0 HB1 ALA A 325 99.853 7.825 9.502 1.00 1.58 H new ATOM 0 HB2 ALA A 325 100.138 6.441 8.419 1.00 1.58 H new ATOM 0 HB3 ALA A 325 98.637 6.532 9.370 1.00 1.58 H new ATOM 155 N GLN A 326 99.639 7.653 12.107 1.00 0.91 N ATOM 156 CA GLN A 326 99.077 8.098 13.412 1.00 1.48 C ATOM 157 C GLN A 326 97.630 7.611 13.563 1.00 1.32 C ATOM 158 O GLN A 326 96.707 8.210 13.047 1.00 1.83 O ATOM 159 CB GLN A 326 99.124 9.626 13.352 1.00 2.25 C ATOM 160 CG GLN A 326 98.769 10.201 14.725 1.00 3.14 C ATOM 161 CD GLN A 326 98.678 11.726 14.631 1.00 3.55 C ATOM 162 OE1 GLN A 326 97.916 12.253 13.846 1.00 4.00 O ATOM 163 NE2 GLN A 326 99.427 12.461 15.406 1.00 3.92 N ATOM 0 H GLN A 326 99.904 8.404 11.469 1.00 0.91 H new ATOM 0 HA GLN A 326 99.633 7.701 14.261 1.00 1.48 H new ATOM 0 HB2 GLN A 326 100.118 9.959 13.052 1.00 2.25 H new ATOM 0 HB3 GLN A 326 98.425 9.993 12.600 1.00 2.25 H new ATOM 0 HG2 GLN A 326 97.820 9.790 15.069 1.00 3.14 H new ATOM 0 HG3 GLN A 326 99.524 9.915 15.457 1.00 3.14 H new ATOM 0 HE21 GLN A 326 100.067 12.019 16.065 1.00 3.92 H new ATOM 0 HE22 GLN A 326 99.372 13.478 15.353 1.00 3.92 H new ATOM 172 N GLY A 327 97.417 6.583 14.343 1.00 1.28 N ATOM 173 CA GLY A 327 96.022 6.127 14.614 1.00 1.48 C ATOM 174 C GLY A 327 95.609 5.042 13.611 1.00 1.24 C ATOM 175 O GLY A 327 94.441 4.759 13.441 1.00 1.52 O ATOM 0 H GLY A 327 98.148 6.041 14.803 1.00 1.28 H new ATOM 0 HA2 GLY A 327 95.951 5.738 15.630 1.00 1.48 H new ATOM 0 HA3 GLY A 327 95.337 6.972 14.547 1.00 1.48 H new ATOM 179 N VAL A 328 96.549 4.466 12.912 1.00 0.93 N ATOM 180 CA VAL A 328 96.192 3.440 11.888 1.00 1.03 C ATOM 181 C VAL A 328 96.478 2.027 12.415 1.00 1.06 C ATOM 182 O VAL A 328 97.351 1.826 13.235 1.00 1.71 O ATOM 183 CB VAL A 328 97.081 3.761 10.686 1.00 1.43 C ATOM 184 CG1 VAL A 328 96.834 2.736 9.579 1.00 1.73 C ATOM 185 CG2 VAL A 328 96.744 5.161 10.166 1.00 1.57 C ATOM 0 H VAL A 328 97.546 4.660 13.004 1.00 0.93 H new ATOM 0 HA VAL A 328 95.133 3.465 11.632 1.00 1.03 H new ATOM 0 HB VAL A 328 98.128 3.724 10.988 1.00 1.43 H new ATOM 0 HG11 VAL A 328 97.468 2.965 8.723 1.00 1.73 H new ATOM 0 HG12 VAL A 328 97.070 1.738 9.948 1.00 1.73 H new ATOM 0 HG13 VAL A 328 95.788 2.773 9.276 1.00 1.73 H new ATOM 0 HG21 VAL A 328 97.376 5.393 9.309 1.00 1.57 H new ATOM 0 HG22 VAL A 328 95.697 5.195 9.864 1.00 1.57 H new ATOM 0 HG23 VAL A 328 96.918 5.894 10.954 1.00 1.57 H new ATOM 195 N ASP A 329 95.747 1.049 11.949 1.00 1.16 N ATOM 196 CA ASP A 329 95.981 -0.353 12.416 1.00 1.20 C ATOM 197 C ASP A 329 96.963 -1.068 11.478 1.00 1.16 C ATOM 198 O ASP A 329 97.009 -0.802 10.294 1.00 1.39 O ATOM 199 CB ASP A 329 94.607 -1.021 12.365 1.00 1.44 C ATOM 200 CG ASP A 329 93.682 -0.369 13.393 1.00 1.37 C ATOM 201 OD1 ASP A 329 94.184 0.357 14.237 1.00 2.02 O ATOM 202 OD2 ASP A 329 92.488 -0.605 13.322 1.00 1.69 O ATOM 0 H ASP A 329 94.998 1.158 11.265 1.00 1.16 H new ATOM 0 HA ASP A 329 96.415 -0.389 13.415 1.00 1.20 H new ATOM 0 HB2 ASP A 329 94.182 -0.926 11.366 1.00 1.44 H new ATOM 0 HB3 ASP A 329 94.702 -2.087 12.571 1.00 1.44 H new ATOM 207 N GLU A 330 97.778 -1.947 12.007 1.00 1.13 N ATOM 208 CA GLU A 330 98.788 -2.643 11.152 1.00 1.11 C ATOM 209 C GLU A 330 98.109 -3.480 10.067 1.00 0.97 C ATOM 210 O GLU A 330 98.562 -3.536 8.944 1.00 0.91 O ATOM 211 CB GLU A 330 99.561 -3.550 12.107 1.00 1.28 C ATOM 212 CG GLU A 330 100.787 -2.804 12.624 1.00 1.68 C ATOM 213 CD GLU A 330 101.557 -3.698 13.600 1.00 2.07 C ATOM 214 OE1 GLU A 330 101.050 -4.758 13.926 1.00 2.70 O ATOM 215 OE2 GLU A 330 102.640 -3.305 14.002 1.00 2.49 O ATOM 0 H GLU A 330 97.787 -2.212 12.992 1.00 1.13 H new ATOM 0 HA GLU A 330 99.434 -1.931 10.638 1.00 1.11 H new ATOM 0 HB2 GLU A 330 98.924 -3.849 12.940 1.00 1.28 H new ATOM 0 HB3 GLU A 330 99.865 -4.463 11.595 1.00 1.28 H new ATOM 0 HG2 GLU A 330 101.430 -2.519 11.791 1.00 1.68 H new ATOM 0 HG3 GLU A 330 100.482 -1.883 13.121 1.00 1.68 H new ATOM 222 N LYS A 331 97.026 -4.129 10.384 1.00 0.98 N ATOM 223 CA LYS A 331 96.335 -4.954 9.353 1.00 0.92 C ATOM 224 C LYS A 331 95.887 -4.073 8.188 1.00 0.81 C ATOM 225 O LYS A 331 96.064 -4.411 7.035 1.00 0.80 O ATOM 226 CB LYS A 331 95.129 -5.559 10.067 1.00 1.02 C ATOM 227 CG LYS A 331 94.457 -6.580 9.148 1.00 1.49 C ATOM 228 CD LYS A 331 93.224 -7.161 9.843 1.00 2.27 C ATOM 229 CE LYS A 331 92.646 -8.296 8.995 1.00 2.60 C ATOM 230 NZ LYS A 331 91.518 -8.840 9.799 1.00 3.03 N ATOM 0 H LYS A 331 96.590 -4.126 11.306 1.00 0.98 H new ATOM 0 HA LYS A 331 96.985 -5.724 8.937 1.00 0.92 H new ATOM 0 HB2 LYS A 331 95.444 -6.039 10.994 1.00 1.02 H new ATOM 0 HB3 LYS A 331 94.421 -4.775 10.338 1.00 1.02 H new ATOM 0 HG2 LYS A 331 94.169 -6.106 8.210 1.00 1.49 H new ATOM 0 HG3 LYS A 331 95.157 -7.378 8.900 1.00 1.49 H new ATOM 0 HD2 LYS A 331 93.492 -7.532 10.832 1.00 2.27 H new ATOM 0 HD3 LYS A 331 92.475 -6.383 9.987 1.00 2.27 H new ATOM 0 HE2 LYS A 331 92.301 -7.930 8.028 1.00 2.60 H new ATOM 0 HE3 LYS A 331 93.396 -9.062 8.797 1.00 2.60 H new ATOM 0 HZ1 LYS A 331 91.070 -9.624 9.283 1.00 3.03 H new ATOM 0 HZ2 LYS A 331 91.877 -9.187 10.711 1.00 3.03 H new ATOM 0 HZ3 LYS A 331 90.817 -8.090 9.966 1.00 3.03 H new ATOM 244 N THR A 332 95.344 -2.926 8.477 1.00 0.78 N ATOM 245 CA THR A 332 94.923 -2.008 7.381 1.00 0.74 C ATOM 246 C THR A 332 96.124 -1.626 6.515 1.00 0.65 C ATOM 247 O THR A 332 96.051 -1.624 5.303 1.00 0.66 O ATOM 248 CB THR A 332 94.369 -0.775 8.095 1.00 0.77 C ATOM 249 OG1 THR A 332 93.314 -1.165 8.963 1.00 0.90 O ATOM 250 CG2 THR A 332 93.843 0.221 7.061 1.00 0.82 C ATOM 0 H THR A 332 95.173 -2.583 9.422 1.00 0.78 H new ATOM 0 HA THR A 332 94.189 -2.466 6.719 1.00 0.74 H new ATOM 0 HB THR A 332 95.161 -0.305 8.677 1.00 0.77 H new ATOM 0 HG1 THR A 332 92.959 -0.375 9.422 1.00 0.90 H new ATOM 0 HG21 THR A 332 93.448 1.100 7.571 1.00 0.82 H new ATOM 0 HG22 THR A 332 94.655 0.520 6.398 1.00 0.82 H new ATOM 0 HG23 THR A 332 93.050 -0.246 6.476 1.00 0.82 H new ATOM 258 N LEU A 333 97.217 -1.259 7.124 1.00 0.59 N ATOM 259 CA LEU A 333 98.397 -0.826 6.326 1.00 0.57 C ATOM 260 C LEU A 333 98.924 -1.969 5.458 1.00 0.58 C ATOM 261 O LEU A 333 99.203 -1.793 4.290 1.00 0.54 O ATOM 262 CB LEU A 333 99.451 -0.416 7.352 1.00 0.68 C ATOM 263 CG LEU A 333 100.810 -0.307 6.658 1.00 0.64 C ATOM 264 CD1 LEU A 333 100.712 0.671 5.486 1.00 0.93 C ATOM 265 CD2 LEU A 333 101.852 0.199 7.651 1.00 0.87 C ATOM 0 H LEU A 333 97.344 -1.240 8.136 1.00 0.59 H new ATOM 0 HA LEU A 333 98.141 -0.011 5.649 1.00 0.57 H new ATOM 0 HB2 LEU A 333 99.183 0.538 7.806 1.00 0.68 H new ATOM 0 HB3 LEU A 333 99.498 -1.150 8.157 1.00 0.68 H new ATOM 0 HG LEU A 333 101.104 -1.289 6.289 1.00 0.64 H new ATOM 0 HD11 LEU A 333 101.681 0.747 4.993 1.00 0.93 H new ATOM 0 HD12 LEU A 333 99.970 0.312 4.773 1.00 0.93 H new ATOM 0 HD13 LEU A 333 100.415 1.653 5.855 1.00 0.93 H new ATOM 0 HD21 LEU A 333 102.820 0.276 7.155 1.00 0.87 H new ATOM 0 HD22 LEU A 333 101.555 1.180 8.022 1.00 0.87 H new ATOM 0 HD23 LEU A 333 101.927 -0.497 8.486 1.00 0.87 H new ATOM 277 N ALA A 334 99.071 -3.135 6.013 1.00 0.66 N ATOM 278 CA ALA A 334 99.592 -4.269 5.204 1.00 0.73 C ATOM 279 C ALA A 334 98.659 -4.526 4.019 1.00 0.68 C ATOM 280 O ALA A 334 99.081 -4.847 2.930 1.00 0.66 O ATOM 281 CB ALA A 334 99.603 -5.463 6.157 1.00 0.87 C ATOM 0 H ALA A 334 98.855 -3.353 6.986 1.00 0.66 H new ATOM 0 HA ALA A 334 100.583 -4.074 4.795 1.00 0.73 H new ATOM 0 HB1 ALA A 334 99.976 -6.343 5.633 1.00 0.87 H new ATOM 0 HB2 ALA A 334 100.250 -5.245 7.006 1.00 0.87 H new ATOM 0 HB3 ALA A 334 98.590 -5.654 6.512 1.00 0.87 H new ATOM 287 N ASP A 335 97.387 -4.410 4.231 1.00 0.67 N ATOM 288 CA ASP A 335 96.424 -4.685 3.130 1.00 0.65 C ATOM 289 C ASP A 335 96.558 -3.659 1.998 1.00 0.62 C ATOM 290 O ASP A 335 96.571 -4.004 0.833 1.00 0.69 O ATOM 291 CB ASP A 335 95.059 -4.559 3.782 1.00 0.67 C ATOM 292 CG ASP A 335 93.973 -4.993 2.796 1.00 1.19 C ATOM 293 OD1 ASP A 335 94.325 -5.468 1.729 1.00 1.96 O ATOM 294 OD2 ASP A 335 92.808 -4.845 3.126 1.00 1.61 O ATOM 0 H ASP A 335 96.966 -4.136 5.119 1.00 0.67 H new ATOM 0 HA ASP A 335 96.596 -5.663 2.680 1.00 0.65 H new ATOM 0 HB2 ASP A 335 95.016 -5.176 4.680 1.00 0.67 H new ATOM 0 HB3 ASP A 335 94.889 -3.529 4.095 1.00 0.67 H new ATOM 299 N ALA A 336 96.615 -2.397 2.327 1.00 0.60 N ATOM 300 CA ALA A 336 96.693 -1.352 1.263 1.00 0.62 C ATOM 301 C ALA A 336 98.018 -1.452 0.512 1.00 0.51 C ATOM 302 O ALA A 336 98.070 -1.289 -0.689 1.00 0.55 O ATOM 303 CB ALA A 336 96.587 -0.016 1.999 1.00 0.76 C ATOM 0 H ALA A 336 96.611 -2.044 3.284 1.00 0.60 H new ATOM 0 HA ALA A 336 95.903 -1.467 0.521 1.00 0.62 H new ATOM 0 HB1 ALA A 336 96.637 0.801 1.279 1.00 0.76 H new ATOM 0 HB2 ALA A 336 95.639 0.030 2.535 1.00 0.76 H new ATOM 0 HB3 ALA A 336 97.409 0.075 2.709 1.00 0.76 H new ATOM 309 N ALA A 337 99.082 -1.748 1.197 1.00 0.46 N ATOM 310 CA ALA A 337 100.390 -1.884 0.492 1.00 0.50 C ATOM 311 C ALA A 337 100.339 -3.060 -0.486 1.00 0.62 C ATOM 312 O ALA A 337 100.971 -3.047 -1.524 1.00 0.72 O ATOM 313 CB ALA A 337 101.420 -2.141 1.592 1.00 0.50 C ATOM 0 H ALA A 337 99.108 -1.901 2.205 1.00 0.46 H new ATOM 0 HA ALA A 337 100.638 -0.996 -0.089 1.00 0.50 H new ATOM 0 HB1 ALA A 337 102.408 -2.252 1.146 1.00 0.50 H new ATOM 0 HB2 ALA A 337 101.427 -1.301 2.287 1.00 0.50 H new ATOM 0 HB3 ALA A 337 101.160 -3.054 2.128 1.00 0.50 H new ATOM 319 N GLN A 338 99.617 -4.093 -0.146 1.00 0.71 N ATOM 320 CA GLN A 338 99.554 -5.289 -1.034 1.00 0.91 C ATOM 321 C GLN A 338 98.759 -4.995 -2.313 1.00 0.94 C ATOM 322 O GLN A 338 99.195 -5.304 -3.403 1.00 1.06 O ATOM 323 CB GLN A 338 98.850 -6.356 -0.199 1.00 1.03 C ATOM 324 CG GLN A 338 99.722 -6.822 0.990 1.00 1.03 C ATOM 325 CD GLN A 338 101.056 -6.050 1.101 1.00 0.94 C ATOM 326 OE1 GLN A 338 101.878 -6.100 0.213 1.00 1.72 O ATOM 327 NE2 GLN A 338 101.309 -5.347 2.169 1.00 0.69 N ATOM 0 H GLN A 338 99.067 -4.160 0.710 1.00 0.71 H new ATOM 0 HA GLN A 338 100.546 -5.601 -1.361 1.00 0.91 H new ATOM 0 HB2 GLN A 338 97.906 -5.960 0.176 1.00 1.03 H new ATOM 0 HB3 GLN A 338 98.609 -7.211 -0.830 1.00 1.03 H new ATOM 0 HG2 GLN A 338 99.160 -6.699 1.916 1.00 1.03 H new ATOM 0 HG3 GLN A 338 99.932 -7.886 0.884 1.00 1.03 H new ATOM 0 HE21 GLN A 338 100.623 -5.299 2.922 1.00 0.69 H new ATOM 0 HE22 GLN A 338 102.193 -4.845 2.252 1.00 0.69 H new ATOM 336 N LEU A 339 97.565 -4.484 -2.192 1.00 0.86 N ATOM 337 CA LEU A 339 96.737 -4.277 -3.420 1.00 0.90 C ATOM 338 C LEU A 339 97.310 -3.137 -4.270 1.00 0.84 C ATOM 339 O LEU A 339 97.296 -3.193 -5.484 1.00 1.00 O ATOM 340 CB LEU A 339 95.315 -3.949 -2.942 1.00 0.80 C ATOM 341 CG LEU A 339 95.334 -2.895 -1.833 1.00 1.01 C ATOM 342 CD1 LEU A 339 94.699 -1.604 -2.352 1.00 1.34 C ATOM 343 CD2 LEU A 339 94.521 -3.419 -0.647 1.00 1.58 C ATOM 0 H LEU A 339 97.130 -4.204 -1.313 1.00 0.86 H new ATOM 0 HA LEU A 339 96.735 -5.167 -4.049 1.00 0.90 H new ATOM 0 HB2 LEU A 339 94.721 -3.587 -3.781 1.00 0.80 H new ATOM 0 HB3 LEU A 339 94.833 -4.856 -2.577 1.00 0.80 H new ATOM 0 HG LEU A 339 96.360 -2.695 -1.524 1.00 1.01 H new ATOM 0 HD11 LEU A 339 94.711 -0.851 -1.564 1.00 1.34 H new ATOM 0 HD12 LEU A 339 95.264 -1.240 -3.211 1.00 1.34 H new ATOM 0 HD13 LEU A 339 93.669 -1.800 -2.651 1.00 1.34 H new ATOM 0 HD21 LEU A 339 94.525 -2.678 0.153 1.00 1.58 H new ATOM 0 HD22 LEU A 339 93.495 -3.606 -0.963 1.00 1.58 H new ATOM 0 HD23 LEU A 339 94.963 -4.347 -0.284 1.00 1.58 H new ATOM 355 N ALA A 340 97.843 -2.119 -3.652 1.00 0.74 N ATOM 356 CA ALA A 340 98.446 -1.003 -4.437 1.00 0.93 C ATOM 357 C ALA A 340 99.711 -1.483 -5.153 1.00 1.36 C ATOM 358 O ALA A 340 100.254 -0.799 -5.999 1.00 2.24 O ATOM 359 CB ALA A 340 98.793 0.067 -3.402 1.00 0.82 C ATOM 0 H ALA A 340 97.887 -2.011 -2.639 1.00 0.74 H new ATOM 0 HA ALA A 340 97.769 -0.626 -5.204 1.00 0.93 H new ATOM 0 HB1 ALA A 340 99.243 0.925 -3.902 1.00 0.82 H new ATOM 0 HB2 ALA A 340 97.886 0.382 -2.887 1.00 0.82 H new ATOM 0 HB3 ALA A 340 99.498 -0.342 -2.678 1.00 0.82 H new ATOM 365 N SER A 341 100.174 -2.658 -4.834 1.00 1.07 N ATOM 366 CA SER A 341 101.396 -3.188 -5.510 1.00 1.44 C ATOM 367 C SER A 341 101.004 -4.188 -6.601 1.00 1.51 C ATOM 368 O SER A 341 101.791 -4.522 -7.464 1.00 2.65 O ATOM 369 CB SER A 341 102.206 -3.872 -4.408 1.00 2.84 C ATOM 370 OG SER A 341 101.324 -4.376 -3.416 1.00 3.56 O ATOM 0 H SER A 341 99.762 -3.276 -4.135 1.00 1.07 H new ATOM 0 HA SER A 341 101.971 -2.400 -5.997 1.00 1.44 H new ATOM 0 HB2 SER A 341 102.799 -4.684 -4.829 1.00 2.84 H new ATOM 0 HB3 SER A 341 102.905 -3.164 -3.963 1.00 2.84 H new ATOM 0 HG SER A 341 101.381 -3.817 -2.613 1.00 3.56 H new ATOM 376 N LEU A 342 99.786 -4.649 -6.580 1.00 1.19 N ATOM 377 CA LEU A 342 99.332 -5.604 -7.630 1.00 2.40 C ATOM 378 C LEU A 342 99.458 -4.966 -9.016 1.00 2.59 C ATOM 379 O LEU A 342 99.550 -5.645 -10.019 1.00 3.62 O ATOM 380 CB LEU A 342 97.866 -5.882 -7.299 1.00 3.39 C ATOM 381 CG LEU A 342 97.764 -6.458 -5.886 1.00 3.93 C ATOM 382 CD1 LEU A 342 96.314 -6.851 -5.599 1.00 4.36 C ATOM 383 CD2 LEU A 342 98.659 -7.694 -5.774 1.00 3.74 C ATOM 0 H LEU A 342 99.084 -4.406 -5.881 1.00 1.19 H new ATOM 0 HA LEU A 342 99.928 -6.516 -7.647 1.00 2.40 H new ATOM 0 HB2 LEU A 342 97.285 -4.963 -7.372 1.00 3.39 H new ATOM 0 HB3 LEU A 342 97.446 -6.583 -8.020 1.00 3.39 H new ATOM 0 HG LEU A 342 98.087 -5.708 -5.164 1.00 3.93 H new ATOM 0 HD11 LEU A 342 96.241 -7.262 -4.592 1.00 4.36 H new ATOM 0 HD12 LEU A 342 95.676 -5.971 -5.679 1.00 4.36 H new ATOM 0 HD13 LEU A 342 95.991 -7.601 -6.321 1.00 4.36 H new ATOM 0 HD21 LEU A 342 98.587 -8.105 -4.767 1.00 3.74 H new ATOM 0 HD22 LEU A 342 98.336 -8.444 -6.496 1.00 3.74 H new ATOM 0 HD23 LEU A 342 99.693 -7.415 -5.979 1.00 3.74 H new ATOM 395 N ALA A 343 99.485 -3.661 -9.076 1.00 2.04 N ATOM 396 CA ALA A 343 99.630 -2.975 -10.392 1.00 2.90 C ATOM 397 C ALA A 343 101.106 -2.893 -10.796 1.00 2.34 C ATOM 398 O ALA A 343 101.429 -2.568 -11.921 1.00 2.96 O ATOM 399 CB ALA A 343 99.051 -1.575 -10.180 1.00 3.81 C ATOM 0 H ALA A 343 99.413 -3.041 -8.270 1.00 2.04 H new ATOM 0 HA ALA A 343 99.116 -3.511 -11.190 1.00 2.90 H new ATOM 0 HB1 ALA A 343 99.122 -1.007 -11.108 1.00 3.81 H new ATOM 0 HB2 ALA A 343 98.005 -1.655 -9.883 1.00 3.81 H new ATOM 0 HB3 ALA A 343 99.612 -1.064 -9.398 1.00 3.81 H new ATOM 405 N ASP A 344 102.005 -3.170 -9.891 1.00 1.46 N ATOM 406 CA ASP A 344 103.453 -3.087 -10.241 1.00 1.77 C ATOM 407 C ASP A 344 104.020 -4.485 -10.514 1.00 1.92 C ATOM 408 O ASP A 344 103.696 -5.443 -9.840 1.00 1.99 O ATOM 409 CB ASP A 344 104.127 -2.457 -9.019 1.00 1.69 C ATOM 410 CG ASP A 344 104.236 -3.489 -7.896 1.00 2.00 C ATOM 411 OD1 ASP A 344 104.905 -4.489 -8.099 1.00 2.84 O ATOM 412 OD2 ASP A 344 103.654 -3.259 -6.848 1.00 1.89 O ATOM 0 H ASP A 344 101.802 -3.448 -8.931 1.00 1.46 H new ATOM 0 HA ASP A 344 103.622 -2.500 -11.144 1.00 1.77 H new ATOM 0 HB2 ASP A 344 105.119 -2.092 -9.287 1.00 1.69 H new ATOM 0 HB3 ASP A 344 103.552 -1.596 -8.679 1.00 1.69 H new ATOM 417 N GLU A 345 104.838 -4.613 -11.523 1.00 2.10 N ATOM 418 CA GLU A 345 105.403 -5.950 -11.869 1.00 2.37 C ATOM 419 C GLU A 345 106.834 -6.077 -11.336 1.00 2.30 C ATOM 420 O GLU A 345 107.618 -6.866 -11.825 1.00 2.51 O ATOM 421 CB GLU A 345 105.396 -5.996 -13.397 1.00 2.66 C ATOM 422 CG GLU A 345 103.960 -5.865 -13.907 1.00 2.29 C ATOM 423 CD GLU A 345 103.944 -5.989 -15.432 1.00 2.60 C ATOM 424 OE1 GLU A 345 105.015 -5.993 -16.017 1.00 2.87 O ATOM 425 OE2 GLU A 345 102.862 -6.079 -15.988 1.00 2.99 O ATOM 0 H GLU A 345 105.141 -3.847 -12.125 1.00 2.10 H new ATOM 0 HA GLU A 345 104.829 -6.767 -11.431 1.00 2.37 H new ATOM 0 HB2 GLU A 345 106.010 -5.190 -13.798 1.00 2.66 H new ATOM 0 HB3 GLU A 345 105.832 -6.932 -13.745 1.00 2.66 H new ATOM 0 HG2 GLU A 345 103.333 -6.638 -13.463 1.00 2.29 H new ATOM 0 HG3 GLU A 345 103.542 -4.904 -13.606 1.00 2.29 H new ATOM 432 N THR A 346 107.203 -5.255 -10.392 1.00 2.06 N ATOM 433 CA THR A 346 108.609 -5.274 -9.897 1.00 2.06 C ATOM 434 C THR A 346 108.765 -6.309 -8.783 1.00 1.91 C ATOM 435 O THR A 346 107.816 -6.633 -8.097 1.00 1.73 O ATOM 436 CB THR A 346 108.856 -3.864 -9.357 1.00 2.02 C ATOM 437 OG1 THR A 346 107.892 -3.566 -8.357 1.00 1.96 O ATOM 438 CG2 THR A 346 108.744 -2.852 -10.497 1.00 2.07 C ATOM 0 H THR A 346 106.593 -4.572 -9.943 1.00 2.06 H new ATOM 0 HA THR A 346 109.319 -5.543 -10.680 1.00 2.06 H new ATOM 0 HB THR A 346 109.855 -3.810 -8.925 1.00 2.02 H new ATOM 0 HG1 THR A 346 108.050 -2.664 -8.009 1.00 1.96 H new ATOM 0 HG21 THR A 346 108.920 -1.848 -10.111 1.00 2.07 H new ATOM 0 HG22 THR A 346 109.486 -3.082 -11.262 1.00 2.07 H new ATOM 0 HG23 THR A 346 107.746 -2.903 -10.932 1.00 2.07 H new ATOM 446 N PRO A 347 109.970 -6.789 -8.635 1.00 2.03 N ATOM 447 CA PRO A 347 110.260 -7.790 -7.583 1.00 1.99 C ATOM 448 C PRO A 347 109.951 -7.210 -6.202 1.00 1.79 C ATOM 449 O PRO A 347 109.414 -7.878 -5.341 1.00 1.68 O ATOM 450 CB PRO A 347 111.757 -8.072 -7.733 1.00 2.25 C ATOM 451 CG PRO A 347 112.297 -6.971 -8.594 1.00 2.38 C ATOM 452 CD PRO A 347 111.155 -6.445 -9.420 1.00 2.29 C ATOM 0 HA PRO A 347 109.658 -8.694 -7.681 1.00 1.99 H new ATOM 0 HB2 PRO A 347 112.251 -8.086 -6.762 1.00 2.25 H new ATOM 0 HB3 PRO A 347 111.927 -9.046 -8.192 1.00 2.25 H new ATOM 0 HG2 PRO A 347 112.724 -6.178 -7.980 1.00 2.38 H new ATOM 0 HG3 PRO A 347 113.096 -7.342 -9.236 1.00 2.38 H new ATOM 0 HD2 PRO A 347 111.235 -5.369 -9.574 1.00 2.29 H new ATOM 0 HD3 PRO A 347 111.129 -6.907 -10.407 1.00 2.29 H new ATOM 460 N GLU A 348 110.281 -5.968 -5.985 1.00 1.76 N ATOM 461 CA GLU A 348 109.999 -5.344 -4.661 1.00 1.64 C ATOM 462 C GLU A 348 108.487 -5.231 -4.443 1.00 1.41 C ATOM 463 O GLU A 348 107.991 -5.413 -3.350 1.00 1.31 O ATOM 464 CB GLU A 348 110.634 -3.955 -4.741 1.00 1.72 C ATOM 465 CG GLU A 348 112.149 -4.096 -4.893 1.00 2.14 C ATOM 466 CD GLU A 348 112.794 -2.709 -4.914 1.00 2.49 C ATOM 467 OE1 GLU A 348 112.060 -1.739 -5.004 1.00 3.25 O ATOM 468 OE2 GLU A 348 114.010 -2.641 -4.839 1.00 2.49 O ATOM 0 H GLU A 348 110.733 -5.358 -6.666 1.00 1.76 H new ATOM 0 HA GLU A 348 110.397 -5.929 -3.832 1.00 1.64 H new ATOM 0 HB2 GLU A 348 110.223 -3.403 -5.586 1.00 1.72 H new ATOM 0 HB3 GLU A 348 110.399 -3.384 -3.843 1.00 1.72 H new ATOM 0 HG2 GLU A 348 112.554 -4.684 -4.069 1.00 2.14 H new ATOM 0 HG3 GLU A 348 112.384 -4.631 -5.813 1.00 2.14 H new ATOM 475 N GLY A 349 107.752 -4.905 -5.471 1.00 1.42 N ATOM 476 CA GLY A 349 106.278 -4.747 -5.317 1.00 1.30 C ATOM 477 C GLY A 349 105.637 -6.092 -4.974 1.00 1.23 C ATOM 478 O GLY A 349 104.769 -6.175 -4.127 1.00 1.23 O ATOM 0 H GLY A 349 108.109 -4.741 -6.412 1.00 1.42 H new ATOM 0 HA2 GLY A 349 106.062 -4.022 -4.532 1.00 1.30 H new ATOM 0 HA3 GLY A 349 105.848 -4.355 -6.239 1.00 1.30 H new ATOM 482 N ARG A 350 106.142 -7.163 -5.519 1.00 1.19 N ATOM 483 CA ARG A 350 105.641 -8.500 -5.095 1.00 1.15 C ATOM 484 C ARG A 350 106.245 -8.880 -3.743 1.00 1.06 C ATOM 485 O ARG A 350 105.612 -9.530 -2.938 1.00 0.94 O ATOM 486 CB ARG A 350 106.066 -9.482 -6.191 1.00 1.18 C ATOM 487 CG ARG A 350 107.591 -9.505 -6.315 1.00 1.81 C ATOM 488 CD ARG A 350 107.998 -10.592 -7.314 1.00 2.33 C ATOM 489 NE ARG A 350 109.464 -10.773 -7.112 1.00 2.77 N ATOM 490 CZ ARG A 350 110.188 -11.353 -8.032 1.00 3.16 C ATOM 491 NH1 ARG A 350 109.631 -11.779 -9.136 1.00 3.46 N ATOM 492 NH2 ARG A 350 111.470 -11.508 -7.849 1.00 3.62 N ATOM 0 H ARG A 350 106.872 -7.172 -6.232 1.00 1.19 H new ATOM 0 HA ARG A 350 104.558 -8.509 -4.971 1.00 1.15 H new ATOM 0 HB2 ARG A 350 105.697 -10.481 -5.958 1.00 1.18 H new ATOM 0 HB3 ARG A 350 105.620 -9.192 -7.143 1.00 1.18 H new ATOM 0 HG2 ARG A 350 107.956 -8.533 -6.648 1.00 1.81 H new ATOM 0 HG3 ARG A 350 108.044 -9.699 -5.343 1.00 1.81 H new ATOM 0 HD2 ARG A 350 107.457 -11.520 -7.130 1.00 2.33 H new ATOM 0 HD3 ARG A 350 107.775 -10.291 -8.338 1.00 2.33 H new ATOM 0 HE ARG A 350 109.903 -10.443 -6.253 1.00 2.77 H new ATOM 0 HH11 ARG A 350 108.629 -11.659 -9.281 1.00 3.46 H new ATOM 0 HH12 ARG A 350 110.199 -12.231 -9.852 1.00 3.46 H new ATOM 0 HH21 ARG A 350 111.906 -11.177 -6.989 1.00 3.62 H new ATOM 0 HH22 ARG A 350 112.037 -11.961 -8.566 1.00 3.62 H new ATOM 506 N SER A 351 107.398 -8.365 -3.423 1.00 1.15 N ATOM 507 CA SER A 351 107.938 -8.585 -2.051 1.00 1.10 C ATOM 508 C SER A 351 106.943 -8.058 -1.011 1.00 0.97 C ATOM 509 O SER A 351 106.605 -8.733 -0.063 1.00 0.87 O ATOM 510 CB SER A 351 109.241 -7.789 -2.002 1.00 1.25 C ATOM 511 OG SER A 351 110.073 -8.182 -3.086 1.00 2.40 O ATOM 0 H SER A 351 107.985 -7.807 -4.043 1.00 1.15 H new ATOM 0 HA SER A 351 108.103 -9.640 -1.832 1.00 1.10 H new ATOM 0 HB2 SER A 351 109.030 -6.721 -2.059 1.00 1.25 H new ATOM 0 HB3 SER A 351 109.752 -7.963 -1.055 1.00 1.25 H new ATOM 0 HG SER A 351 109.686 -7.862 -3.928 1.00 2.40 H new ATOM 517 N ILE A 352 106.436 -6.871 -1.210 1.00 1.00 N ATOM 518 CA ILE A 352 105.423 -6.315 -0.267 1.00 0.93 C ATOM 519 C ILE A 352 104.149 -7.177 -0.257 1.00 0.80 C ATOM 520 O ILE A 352 103.658 -7.557 0.789 1.00 0.70 O ATOM 521 CB ILE A 352 105.160 -4.903 -0.801 1.00 1.08 C ATOM 522 CG1 ILE A 352 106.238 -3.968 -0.252 1.00 1.16 C ATOM 523 CG2 ILE A 352 103.780 -4.403 -0.369 1.00 1.16 C ATOM 524 CD1 ILE A 352 106.186 -2.633 -0.988 1.00 1.39 C ATOM 0 H ILE A 352 106.681 -6.260 -1.989 1.00 1.00 H new ATOM 0 HA ILE A 352 105.764 -6.303 0.768 1.00 0.93 H new ATOM 0 HB ILE A 352 105.188 -4.922 -1.890 1.00 1.08 H new ATOM 0 HG12 ILE A 352 106.087 -3.811 0.816 1.00 1.16 H new ATOM 0 HG13 ILE A 352 107.222 -4.422 -0.372 1.00 1.16 H new ATOM 0 HG21 ILE A 352 103.618 -3.399 -0.761 1.00 1.16 H new ATOM 0 HG22 ILE A 352 103.012 -5.072 -0.757 1.00 1.16 H new ATOM 0 HG23 ILE A 352 103.725 -4.381 0.719 1.00 1.16 H new ATOM 0 HD11 ILE A 352 106.956 -1.970 -0.594 1.00 1.39 H new ATOM 0 HD12 ILE A 352 106.359 -2.797 -2.052 1.00 1.39 H new ATOM 0 HD13 ILE A 352 105.206 -2.177 -0.845 1.00 1.39 H new ATOM 536 N VAL A 353 103.598 -7.475 -1.403 1.00 0.86 N ATOM 537 CA VAL A 353 102.348 -8.300 -1.437 1.00 0.82 C ATOM 538 C VAL A 353 102.557 -9.616 -0.679 1.00 0.77 C ATOM 539 O VAL A 353 101.706 -10.055 0.072 1.00 0.77 O ATOM 540 CB VAL A 353 102.090 -8.568 -2.921 1.00 0.97 C ATOM 541 CG1 VAL A 353 100.943 -9.571 -3.068 1.00 1.18 C ATOM 542 CG2 VAL A 353 101.712 -7.260 -3.619 1.00 1.10 C ATOM 0 H VAL A 353 103.954 -7.186 -2.314 1.00 0.86 H new ATOM 0 HA VAL A 353 101.507 -7.794 -0.962 1.00 0.82 H new ATOM 0 HB VAL A 353 102.992 -8.977 -3.376 1.00 0.97 H new ATOM 0 HG11 VAL A 353 100.760 -9.762 -4.125 1.00 1.18 H new ATOM 0 HG12 VAL A 353 101.210 -10.504 -2.572 1.00 1.18 H new ATOM 0 HG13 VAL A 353 100.042 -9.162 -2.611 1.00 1.18 H new ATOM 0 HG21 VAL A 353 101.528 -7.452 -4.676 1.00 1.10 H new ATOM 0 HG22 VAL A 353 100.811 -6.851 -3.162 1.00 1.10 H new ATOM 0 HG23 VAL A 353 102.527 -6.544 -3.516 1.00 1.10 H new ATOM 552 N ILE A 354 103.754 -10.127 -0.699 1.00 0.79 N ATOM 553 CA ILE A 354 104.092 -11.269 0.201 1.00 0.84 C ATOM 554 C ILE A 354 104.092 -10.816 1.660 1.00 0.72 C ATOM 555 O ILE A 354 103.636 -11.519 2.536 1.00 0.77 O ATOM 556 CB ILE A 354 105.492 -11.690 -0.220 1.00 0.97 C ATOM 557 CG1 ILE A 354 105.475 -12.111 -1.691 1.00 1.21 C ATOM 558 CG2 ILE A 354 105.959 -12.857 0.650 1.00 1.11 C ATOM 559 CD1 ILE A 354 106.897 -12.068 -2.254 1.00 1.36 C ATOM 0 H ILE A 354 104.515 -9.806 -1.298 1.00 0.79 H new ATOM 0 HA ILE A 354 103.372 -12.084 0.123 1.00 0.84 H new ATOM 0 HB ILE A 354 106.179 -10.853 -0.093 1.00 0.97 H new ATOM 0 HG12 ILE A 354 105.065 -13.116 -1.787 1.00 1.21 H new ATOM 0 HG13 ILE A 354 104.827 -11.447 -2.262 1.00 1.21 H new ATOM 0 HG21 ILE A 354 106.962 -13.158 0.347 1.00 1.11 H new ATOM 0 HG22 ILE A 354 105.972 -12.549 1.695 1.00 1.11 H new ATOM 0 HG23 ILE A 354 105.276 -13.698 0.528 1.00 1.11 H new ATOM 0 HD11 ILE A 354 106.883 -12.368 -3.302 1.00 1.36 H new ATOM 0 HD12 ILE A 354 107.290 -11.055 -2.172 1.00 1.36 H new ATOM 0 HD13 ILE A 354 107.533 -12.750 -1.690 1.00 1.36 H new ATOM 571 N LEU A 355 104.709 -9.709 1.939 1.00 0.63 N ATOM 572 CA LEU A 355 104.863 -9.283 3.360 1.00 0.62 C ATOM 573 C LEU A 355 103.530 -9.403 4.104 1.00 0.55 C ATOM 574 O LEU A 355 103.434 -10.059 5.121 1.00 0.61 O ATOM 575 CB LEU A 355 105.285 -7.820 3.279 1.00 0.64 C ATOM 576 CG LEU A 355 105.529 -7.278 4.689 1.00 0.73 C ATOM 577 CD1 LEU A 355 106.654 -8.073 5.352 1.00 1.14 C ATOM 578 CD2 LEU A 355 105.931 -5.802 4.608 1.00 1.15 C ATOM 0 H LEU A 355 105.115 -9.077 1.249 1.00 0.63 H new ATOM 0 HA LEU A 355 105.584 -9.899 3.898 1.00 0.62 H new ATOM 0 HB2 LEU A 355 106.191 -7.725 2.680 1.00 0.64 H new ATOM 0 HB3 LEU A 355 104.511 -7.235 2.782 1.00 0.64 H new ATOM 0 HG LEU A 355 104.616 -7.375 5.277 1.00 0.73 H new ATOM 0 HD11 LEU A 355 106.829 -7.688 6.357 1.00 1.14 H new ATOM 0 HD12 LEU A 355 106.371 -9.124 5.411 1.00 1.14 H new ATOM 0 HD13 LEU A 355 107.565 -7.975 4.762 1.00 1.14 H new ATOM 0 HD21 LEU A 355 106.105 -5.417 5.613 1.00 1.15 H new ATOM 0 HD22 LEU A 355 106.843 -5.705 4.019 1.00 1.15 H new ATOM 0 HD23 LEU A 355 105.131 -5.233 4.134 1.00 1.15 H new ATOM 590 N ALA A 356 102.484 -8.841 3.569 1.00 0.52 N ATOM 591 CA ALA A 356 101.152 -9.007 4.220 1.00 0.54 C ATOM 592 C ALA A 356 100.739 -10.481 4.174 1.00 0.53 C ATOM 593 O ALA A 356 100.107 -10.999 5.078 1.00 0.57 O ATOM 594 CB ALA A 356 100.192 -8.150 3.394 1.00 0.61 C ATOM 0 H ALA A 356 102.490 -8.279 2.718 1.00 0.52 H new ATOM 0 HA ALA A 356 101.157 -8.705 5.267 1.00 0.54 H new ATOM 0 HB1 ALA A 356 99.188 -8.221 3.813 1.00 0.61 H new ATOM 0 HB2 ALA A 356 100.521 -7.111 3.415 1.00 0.61 H new ATOM 0 HB3 ALA A 356 100.181 -8.506 2.364 1.00 0.61 H new ATOM 600 N LYS A 357 101.052 -11.156 3.105 1.00 0.57 N ATOM 601 CA LYS A 357 100.620 -12.576 2.992 1.00 0.68 C ATOM 602 C LYS A 357 101.116 -13.392 4.189 1.00 0.79 C ATOM 603 O LYS A 357 100.354 -14.054 4.852 1.00 0.93 O ATOM 604 CB LYS A 357 101.253 -13.097 1.709 1.00 0.88 C ATOM 605 CG LYS A 357 100.885 -14.569 1.551 1.00 0.97 C ATOM 606 CD LYS A 357 99.482 -14.684 0.952 1.00 1.16 C ATOM 607 CE LYS A 357 99.137 -16.159 0.738 1.00 0.90 C ATOM 608 NZ LYS A 357 98.291 -16.182 -0.488 1.00 1.15 N ATOM 0 H LYS A 357 101.582 -10.792 2.313 1.00 0.57 H new ATOM 0 HA LYS A 357 99.533 -12.659 2.976 1.00 0.68 H new ATOM 0 HB2 LYS A 357 100.899 -12.524 0.852 1.00 0.88 H new ATOM 0 HB3 LYS A 357 102.336 -12.979 1.746 1.00 0.88 H new ATOM 0 HG2 LYS A 357 101.609 -15.068 0.907 1.00 0.97 H new ATOM 0 HG3 LYS A 357 100.921 -15.069 2.519 1.00 0.97 H new ATOM 0 HD2 LYS A 357 98.752 -14.222 1.617 1.00 1.16 H new ATOM 0 HD3 LYS A 357 99.435 -14.147 0.004 1.00 1.16 H new ATOM 0 HE2 LYS A 357 100.037 -16.760 0.608 1.00 0.90 H new ATOM 0 HE3 LYS A 357 98.602 -16.568 1.595 1.00 0.90 H new ATOM 0 HZ1 LYS A 357 98.014 -17.162 -0.700 1.00 1.15 H new ATOM 0 HZ2 LYS A 357 97.439 -15.607 -0.332 1.00 1.15 H new ATOM 0 HZ3 LYS A 357 98.829 -15.794 -1.289 1.00 1.15 H new ATOM 622 N GLN A 358 102.388 -13.376 4.463 1.00 0.80 N ATOM 623 CA GLN A 358 102.893 -14.182 5.610 1.00 1.01 C ATOM 624 C GLN A 358 102.348 -13.618 6.925 1.00 1.05 C ATOM 625 O GLN A 358 102.040 -14.349 7.845 1.00 1.25 O ATOM 626 CB GLN A 358 104.417 -14.058 5.551 1.00 1.03 C ATOM 627 CG GLN A 358 104.824 -12.600 5.760 1.00 0.99 C ATOM 628 CD GLN A 358 106.319 -12.441 5.478 1.00 1.21 C ATOM 629 OE1 GLN A 358 106.837 -13.017 4.542 1.00 1.62 O ATOM 630 NE2 GLN A 358 107.039 -11.677 6.253 1.00 1.90 N ATOM 0 H GLN A 358 103.094 -12.847 3.951 1.00 0.80 H new ATOM 0 HA GLN A 358 102.576 -15.224 5.557 1.00 1.01 H new ATOM 0 HB2 GLN A 358 104.872 -14.686 6.317 1.00 1.03 H new ATOM 0 HB3 GLN A 358 104.783 -14.413 4.588 1.00 1.03 H new ATOM 0 HG2 GLN A 358 104.248 -11.952 5.099 1.00 0.99 H new ATOM 0 HG3 GLN A 358 104.601 -12.292 6.782 1.00 0.99 H new ATOM 0 HE21 GLN A 358 106.604 -11.193 7.039 1.00 1.90 H new ATOM 0 HE22 GLN A 358 108.037 -11.563 6.073 1.00 1.90 H new ATOM 639 N ARG A 359 102.284 -12.318 7.041 1.00 0.93 N ATOM 640 CA ARG A 359 101.829 -11.701 8.319 1.00 1.10 C ATOM 641 C ARG A 359 100.330 -11.941 8.558 1.00 1.09 C ATOM 642 O ARG A 359 99.910 -12.188 9.672 1.00 1.55 O ATOM 643 CB ARG A 359 102.108 -10.208 8.153 1.00 1.08 C ATOM 644 CG ARG A 359 103.609 -9.989 7.954 1.00 1.26 C ATOM 645 CD ARG A 359 104.358 -10.385 9.228 1.00 1.27 C ATOM 646 NE ARG A 359 105.779 -10.022 8.965 1.00 1.47 N ATOM 647 CZ ARG A 359 106.666 -10.102 9.922 1.00 1.98 C ATOM 648 NH1 ARG A 359 106.314 -10.501 11.115 1.00 2.63 N ATOM 649 NH2 ARG A 359 107.909 -9.784 9.684 1.00 2.38 N ATOM 0 H ARG A 359 102.528 -11.657 6.304 1.00 0.93 H new ATOM 0 HA ARG A 359 102.345 -12.132 9.177 1.00 1.10 H new ATOM 0 HB2 ARG A 359 101.556 -9.817 7.298 1.00 1.08 H new ATOM 0 HB3 ARG A 359 101.763 -9.663 9.032 1.00 1.08 H new ATOM 0 HG2 ARG A 359 103.965 -10.582 7.111 1.00 1.26 H new ATOM 0 HG3 ARG A 359 103.806 -8.944 7.714 1.00 1.26 H new ATOM 0 HD2 ARG A 359 103.969 -9.854 10.097 1.00 1.27 H new ATOM 0 HD3 ARG A 359 104.254 -11.450 9.433 1.00 1.27 H new ATOM 0 HE ARG A 359 106.061 -9.710 8.036 1.00 1.47 H new ATOM 0 HH11 ARG A 359 105.343 -10.752 11.303 1.00 2.63 H new ATOM 0 HH12 ARG A 359 107.010 -10.562 11.858 1.00 2.63 H new ATOM 0 HH21 ARG A 359 108.187 -9.474 8.753 1.00 2.38 H new ATOM 0 HH22 ARG A 359 108.603 -9.846 10.429 1.00 2.38 H new ATOM 663 N PHE A 360 99.510 -11.831 7.543 1.00 0.70 N ATOM 664 CA PHE A 360 98.042 -12.012 7.762 1.00 0.74 C ATOM 665 C PHE A 360 97.536 -13.230 6.998 1.00 0.74 C ATOM 666 O PHE A 360 96.435 -13.698 7.211 1.00 1.09 O ATOM 667 CB PHE A 360 97.389 -10.736 7.236 1.00 0.85 C ATOM 668 CG PHE A 360 97.712 -9.587 8.160 1.00 1.28 C ATOM 669 CD1 PHE A 360 97.262 -9.611 9.487 1.00 2.03 C ATOM 670 CD2 PHE A 360 98.460 -8.498 7.692 1.00 1.78 C ATOM 671 CE1 PHE A 360 97.561 -8.544 10.348 1.00 3.03 C ATOM 672 CE2 PHE A 360 98.758 -7.432 8.552 1.00 2.74 C ATOM 673 CZ PHE A 360 98.308 -7.455 9.880 1.00 3.32 C ATOM 0 H PHE A 360 99.789 -11.626 6.583 1.00 0.70 H new ATOM 0 HA PHE A 360 97.807 -12.179 8.813 1.00 0.74 H new ATOM 0 HB2 PHE A 360 97.748 -10.519 6.230 1.00 0.85 H new ATOM 0 HB3 PHE A 360 96.309 -10.869 7.168 1.00 0.85 H new ATOM 0 HD1 PHE A 360 96.685 -10.450 9.847 1.00 2.03 H new ATOM 0 HD2 PHE A 360 98.807 -8.480 6.669 1.00 1.78 H new ATOM 0 HE1 PHE A 360 97.215 -8.562 11.371 1.00 3.03 H new ATOM 0 HE2 PHE A 360 99.334 -6.593 8.192 1.00 2.74 H new ATOM 0 HZ PHE A 360 98.537 -6.633 10.542 1.00 3.32 H new ATOM 683 N ASN A 361 98.316 -13.722 6.084 1.00 0.72 N ATOM 684 CA ASN A 361 97.865 -14.886 5.271 1.00 0.77 C ATOM 685 C ASN A 361 96.603 -14.530 4.495 1.00 0.91 C ATOM 686 O ASN A 361 95.613 -15.234 4.525 1.00 1.34 O ATOM 687 CB ASN A 361 97.587 -15.983 6.294 1.00 0.79 C ATOM 688 CG ASN A 361 97.564 -17.344 5.595 1.00 1.27 C ATOM 689 OD1 ASN A 361 98.551 -17.764 5.025 1.00 1.68 O ATOM 690 ND2 ASN A 361 96.470 -18.055 5.614 1.00 1.90 N ATOM 0 H ASN A 361 99.248 -13.371 5.862 1.00 0.72 H new ATOM 0 HA ASN A 361 98.604 -15.195 4.532 1.00 0.77 H new ATOM 0 HB2 ASN A 361 98.353 -15.974 7.069 1.00 0.79 H new ATOM 0 HB3 ASN A 361 96.632 -15.800 6.788 1.00 0.79 H new ATOM 0 HD21 ASN A 361 96.444 -18.963 5.150 1.00 1.90 H new ATOM 0 HD22 ASN A 361 95.641 -17.703 6.093 1.00 1.90 H new ATOM 697 N LEU A 362 96.638 -13.425 3.810 1.00 0.88 N ATOM 698 CA LEU A 362 95.452 -12.983 3.030 1.00 1.13 C ATOM 699 C LEU A 362 95.739 -13.115 1.531 1.00 1.12 C ATOM 700 O LEU A 362 96.821 -13.501 1.134 1.00 1.73 O ATOM 701 CB LEU A 362 95.264 -11.518 3.417 1.00 1.68 C ATOM 702 CG LEU A 362 95.369 -11.384 4.936 1.00 2.21 C ATOM 703 CD1 LEU A 362 95.321 -9.903 5.320 1.00 2.65 C ATOM 704 CD2 LEU A 362 94.196 -12.117 5.590 1.00 2.80 C ATOM 0 H LEU A 362 97.445 -12.803 3.756 1.00 0.88 H new ATOM 0 HA LEU A 362 94.562 -13.578 3.237 1.00 1.13 H new ATOM 0 HB2 LEU A 362 96.020 -10.901 2.932 1.00 1.68 H new ATOM 0 HB3 LEU A 362 94.293 -11.160 3.074 1.00 1.68 H new ATOM 0 HG LEU A 362 96.308 -11.818 5.278 1.00 2.21 H new ATOM 0 HD11 LEU A 362 95.396 -9.805 6.403 1.00 2.65 H new ATOM 0 HD12 LEU A 362 96.153 -9.378 4.850 1.00 2.65 H new ATOM 0 HD13 LEU A 362 94.380 -9.469 4.981 1.00 2.65 H new ATOM 0 HD21 LEU A 362 94.267 -12.024 6.674 1.00 2.80 H new ATOM 0 HD22 LEU A 362 93.258 -11.679 5.249 1.00 2.80 H new ATOM 0 HD23 LEU A 362 94.226 -13.171 5.314 1.00 2.80 H new ATOM 716 N ARG A 363 94.799 -12.774 0.692 1.00 1.10 N ATOM 717 CA ARG A 363 95.057 -12.858 -0.774 1.00 1.09 C ATOM 718 C ARG A 363 95.029 -11.473 -1.411 1.00 0.86 C ATOM 719 O ARG A 363 94.300 -10.594 -0.995 1.00 1.03 O ATOM 720 CB ARG A 363 93.934 -13.727 -1.335 1.00 1.21 C ATOM 721 CG ARG A 363 94.258 -15.193 -1.065 1.00 2.11 C ATOM 722 CD ARG A 363 93.182 -16.080 -1.696 1.00 2.74 C ATOM 723 NE ARG A 363 93.493 -17.457 -1.222 1.00 3.36 N ATOM 724 CZ ARG A 363 92.760 -18.468 -1.611 1.00 3.92 C ATOM 725 NH1 ARG A 363 91.749 -18.276 -2.417 1.00 4.21 N ATOM 726 NH2 ARG A 363 93.038 -19.672 -1.193 1.00 4.40 N ATOM 0 H ARG A 363 93.871 -12.443 0.955 1.00 1.10 H new ATOM 0 HA ARG A 363 96.041 -13.278 -0.984 1.00 1.09 H new ATOM 0 HB2 ARG A 363 92.984 -13.460 -0.872 1.00 1.21 H new ATOM 0 HB3 ARG A 363 93.825 -13.557 -2.406 1.00 1.21 H new ATOM 0 HG2 ARG A 363 95.236 -15.442 -1.476 1.00 2.11 H new ATOM 0 HG3 ARG A 363 94.309 -15.373 0.009 1.00 2.11 H new ATOM 0 HD2 ARG A 363 92.184 -15.771 -1.385 1.00 2.74 H new ATOM 0 HD3 ARG A 363 93.210 -16.021 -2.784 1.00 2.74 H new ATOM 0 HE ARG A 363 94.280 -17.612 -0.592 1.00 3.36 H new ATOM 0 HH11 ARG A 363 91.530 -17.335 -2.745 1.00 4.21 H new ATOM 0 HH12 ARG A 363 91.180 -19.067 -2.718 1.00 4.21 H new ATOM 0 HH21 ARG A 363 93.826 -19.824 -0.564 1.00 4.40 H new ATOM 0 HH22 ARG A 363 92.467 -20.461 -1.496 1.00 4.40 H new ATOM 740 N GLU A 364 95.780 -11.297 -2.459 1.00 0.74 N ATOM 741 CA GLU A 364 95.764 -9.994 -3.182 1.00 0.86 C ATOM 742 C GLU A 364 94.361 -9.724 -3.729 1.00 1.02 C ATOM 743 O GLU A 364 93.598 -10.636 -3.976 1.00 0.95 O ATOM 744 CB GLU A 364 96.767 -10.160 -4.325 1.00 0.96 C ATOM 745 CG GLU A 364 96.174 -11.073 -5.400 1.00 1.26 C ATOM 746 CD GLU A 364 97.224 -11.340 -6.479 1.00 1.69 C ATOM 747 OE1 GLU A 364 98.290 -10.751 -6.399 1.00 2.21 O ATOM 748 OE2 GLU A 364 96.946 -12.130 -7.367 1.00 2.24 O ATOM 0 H GLU A 364 96.407 -12.001 -2.849 1.00 0.74 H new ATOM 0 HA GLU A 364 96.025 -9.155 -2.537 1.00 0.86 H new ATOM 0 HB2 GLU A 364 97.010 -9.187 -4.753 1.00 0.96 H new ATOM 0 HB3 GLU A 364 97.698 -10.583 -3.947 1.00 0.96 H new ATOM 0 HG2 GLU A 364 95.848 -12.013 -4.954 1.00 1.26 H new ATOM 0 HG3 GLU A 364 95.293 -10.607 -5.842 1.00 1.26 H new ATOM 755 N ARG A 365 94.021 -8.484 -3.948 1.00 1.36 N ATOM 756 CA ARG A 365 92.674 -8.181 -4.507 1.00 1.73 C ATOM 757 C ARG A 365 92.770 -7.991 -6.020 1.00 1.59 C ATOM 758 O ARG A 365 93.499 -7.149 -6.506 1.00 1.56 O ATOM 759 CB ARG A 365 92.241 -6.881 -3.827 1.00 1.83 C ATOM 760 CG ARG A 365 92.070 -7.122 -2.326 1.00 2.15 C ATOM 761 CD ARG A 365 91.530 -5.852 -1.664 1.00 2.41 C ATOM 762 NE ARG A 365 91.574 -6.133 -0.202 1.00 3.18 N ATOM 763 CZ ARG A 365 90.840 -5.435 0.623 1.00 3.60 C ATOM 764 NH1 ARG A 365 90.066 -4.483 0.174 1.00 4.16 N ATOM 765 NH2 ARG A 365 90.880 -5.689 1.903 1.00 3.72 N ATOM 0 H ARG A 365 94.612 -7.673 -3.766 1.00 1.36 H new ATOM 0 HA ARG A 365 91.960 -8.985 -4.329 1.00 1.73 H new ATOM 0 HB2 ARG A 365 92.985 -6.103 -3.999 1.00 1.83 H new ATOM 0 HB3 ARG A 365 91.305 -6.527 -4.258 1.00 1.83 H new ATOM 0 HG2 ARG A 365 91.385 -7.953 -2.156 1.00 2.15 H new ATOM 0 HG3 ARG A 365 93.025 -7.399 -1.880 1.00 2.15 H new ATOM 0 HD2 ARG A 365 92.139 -4.985 -1.918 1.00 2.41 H new ATOM 0 HD3 ARG A 365 90.514 -5.636 -1.994 1.00 2.41 H new ATOM 0 HE ARG A 365 92.179 -6.872 0.156 1.00 3.18 H new ATOM 0 HH11 ARG A 365 90.033 -4.282 -0.825 1.00 4.16 H new ATOM 0 HH12 ARG A 365 89.495 -3.941 0.823 1.00 4.16 H new ATOM 0 HH21 ARG A 365 91.484 -6.431 2.257 1.00 3.72 H new ATOM 0 HH22 ARG A 365 90.308 -5.145 2.549 1.00 3.72 H new ATOM 779 N ASP A 366 92.026 -8.756 -6.769 1.00 1.70 N ATOM 780 CA ASP A 366 92.061 -8.603 -8.248 1.00 1.93 C ATOM 781 C ASP A 366 91.350 -7.313 -8.653 1.00 2.04 C ATOM 782 O ASP A 366 90.173 -7.137 -8.407 1.00 2.65 O ATOM 783 CB ASP A 366 91.319 -9.825 -8.789 1.00 2.62 C ATOM 784 CG ASP A 366 92.148 -11.083 -8.525 1.00 2.50 C ATOM 785 OD1 ASP A 366 93.299 -10.942 -8.146 1.00 2.50 O ATOM 786 OD2 ASP A 366 91.618 -12.167 -8.707 1.00 2.86 O ATOM 0 H ASP A 366 91.397 -9.479 -6.421 1.00 1.70 H new ATOM 0 HA ASP A 366 93.077 -8.543 -8.639 1.00 1.93 H new ATOM 0 HB2 ASP A 366 90.343 -9.912 -8.311 1.00 2.62 H new ATOM 0 HB3 ASP A 366 91.141 -9.712 -9.858 1.00 2.62 H new ATOM 791 N VAL A 367 92.058 -6.407 -9.265 1.00 1.75 N ATOM 792 CA VAL A 367 91.427 -5.125 -9.679 1.00 2.31 C ATOM 793 C VAL A 367 90.419 -5.370 -10.806 1.00 2.53 C ATOM 794 O VAL A 367 89.331 -4.833 -10.804 1.00 3.04 O ATOM 795 CB VAL A 367 92.589 -4.259 -10.166 1.00 2.28 C ATOM 796 CG1 VAL A 367 92.050 -2.986 -10.812 1.00 2.89 C ATOM 797 CG2 VAL A 367 93.481 -3.886 -8.980 1.00 2.52 C ATOM 0 H VAL A 367 93.047 -6.499 -9.497 1.00 1.75 H new ATOM 0 HA VAL A 367 90.877 -4.649 -8.867 1.00 2.31 H new ATOM 0 HB VAL A 367 93.169 -4.819 -10.899 1.00 2.28 H new ATOM 0 HG11 VAL A 367 92.882 -2.373 -11.157 1.00 2.89 H new ATOM 0 HG12 VAL A 367 91.416 -3.248 -11.659 1.00 2.89 H new ATOM 0 HG13 VAL A 367 91.466 -2.427 -10.081 1.00 2.89 H new ATOM 0 HG21 VAL A 367 94.309 -3.269 -9.328 1.00 2.52 H new ATOM 0 HG22 VAL A 367 92.897 -3.330 -8.246 1.00 2.52 H new ATOM 0 HG23 VAL A 367 93.873 -4.793 -8.520 1.00 2.52 H new ATOM 807 N GLN A 368 90.779 -6.161 -11.779 1.00 2.20 N ATOM 808 CA GLN A 368 89.845 -6.415 -12.915 1.00 2.40 C ATOM 809 C GLN A 368 88.709 -7.349 -12.489 1.00 2.11 C ATOM 810 O GLN A 368 87.620 -7.287 -13.024 1.00 2.30 O ATOM 811 CB GLN A 368 90.695 -7.068 -14.003 1.00 2.46 C ATOM 812 CG GLN A 368 89.873 -7.156 -15.290 1.00 3.09 C ATOM 813 CD GLN A 368 90.745 -7.706 -16.419 1.00 3.29 C ATOM 814 OE1 GLN A 368 91.937 -7.874 -16.256 1.00 3.32 O ATOM 815 NE2 GLN A 368 90.197 -7.998 -17.568 1.00 3.69 N ATOM 0 H GLN A 368 91.677 -6.642 -11.838 1.00 2.20 H new ATOM 0 HA GLN A 368 89.377 -5.494 -13.262 1.00 2.40 H new ATOM 0 HB2 GLN A 368 91.601 -6.486 -14.174 1.00 2.46 H new ATOM 0 HB3 GLN A 368 91.010 -8.063 -13.688 1.00 2.46 H new ATOM 0 HG2 GLN A 368 89.008 -7.802 -15.138 1.00 3.09 H new ATOM 0 HG3 GLN A 368 89.492 -6.171 -15.558 1.00 3.09 H new ATOM 0 HE21 GLN A 368 89.196 -7.857 -17.706 1.00 3.69 H new ATOM 0 HE22 GLN A 368 90.770 -8.367 -18.327 1.00 3.69 H new ATOM 824 N SER A 369 88.888 -8.074 -11.418 1.00 1.80 N ATOM 825 CA SER A 369 87.738 -8.832 -10.849 1.00 1.87 C ATOM 826 C SER A 369 86.770 -7.856 -10.179 1.00 1.79 C ATOM 827 O SER A 369 85.568 -7.982 -10.297 1.00 2.27 O ATOM 828 CB SER A 369 88.338 -9.796 -9.828 1.00 2.47 C ATOM 829 OG SER A 369 89.332 -10.594 -10.458 1.00 3.05 O ATOM 0 H SER A 369 89.771 -8.174 -10.917 1.00 1.80 H new ATOM 0 HA SER A 369 87.179 -9.374 -11.611 1.00 1.87 H new ATOM 0 HB2 SER A 369 88.775 -9.239 -8.999 1.00 2.47 H new ATOM 0 HB3 SER A 369 87.558 -10.431 -9.409 1.00 2.47 H new ATOM 0 HG SER A 369 89.377 -11.468 -10.018 1.00 3.05 H new ATOM 835 N LEU A 370 87.287 -6.798 -9.622 1.00 1.38 N ATOM 836 CA LEU A 370 86.397 -5.718 -9.115 1.00 1.39 C ATOM 837 C LEU A 370 86.077 -4.738 -10.246 1.00 1.12 C ATOM 838 O LEU A 370 85.492 -3.696 -10.024 1.00 1.30 O ATOM 839 CB LEU A 370 87.206 -5.015 -8.025 1.00 1.54 C ATOM 840 CG LEU A 370 87.668 -6.034 -6.985 1.00 1.39 C ATOM 841 CD1 LEU A 370 88.437 -5.313 -5.879 1.00 1.80 C ATOM 842 CD2 LEU A 370 86.448 -6.736 -6.384 1.00 2.14 C ATOM 0 H LEU A 370 88.286 -6.634 -9.496 1.00 1.38 H new ATOM 0 HA LEU A 370 85.450 -6.104 -8.737 1.00 1.39 H new ATOM 0 HB2 LEU A 370 88.068 -4.514 -8.465 1.00 1.54 H new ATOM 0 HB3 LEU A 370 86.599 -4.245 -7.549 1.00 1.54 H new ATOM 0 HG LEU A 370 88.315 -6.773 -7.458 1.00 1.39 H new ATOM 0 HD11 LEU A 370 88.768 -6.037 -5.135 1.00 1.80 H new ATOM 0 HD12 LEU A 370 89.304 -4.810 -6.307 1.00 1.80 H new ATOM 0 HD13 LEU A 370 87.788 -4.577 -5.405 1.00 1.80 H new ATOM 0 HD21 LEU A 370 86.776 -7.464 -5.642 1.00 2.14 H new ATOM 0 HD22 LEU A 370 85.801 -5.998 -5.908 1.00 2.14 H new ATOM 0 HD23 LEU A 370 85.896 -7.247 -7.173 1.00 2.14 H new ATOM 854 N HIS A 371 86.604 -4.978 -11.418 1.00 1.29 N ATOM 855 CA HIS A 371 86.484 -3.959 -12.495 1.00 1.13 C ATOM 856 C HIS A 371 87.139 -2.664 -12.023 1.00 1.00 C ATOM 857 O HIS A 371 86.821 -1.582 -12.477 1.00 1.35 O ATOM 858 CB HIS A 371 84.985 -3.760 -12.688 1.00 1.54 C ATOM 859 CG HIS A 371 84.637 -3.933 -14.141 1.00 1.50 C ATOM 860 ND1 HIS A 371 84.227 -5.151 -14.661 1.00 1.97 N ATOM 861 CD2 HIS A 371 84.631 -3.053 -15.195 1.00 1.80 C ATOM 862 CE1 HIS A 371 83.995 -4.972 -15.975 1.00 2.10 C ATOM 863 NE2 HIS A 371 84.225 -3.712 -16.352 1.00 1.80 N ATOM 0 H HIS A 371 87.107 -5.828 -11.672 1.00 1.29 H new ATOM 0 HA HIS A 371 86.969 -4.260 -13.424 1.00 1.13 H new ATOM 0 HB2 HIS A 371 84.432 -4.478 -12.083 1.00 1.54 H new ATOM 0 HB3 HIS A 371 84.693 -2.766 -12.349 1.00 1.54 H new ATOM 0 HD2 HIS A 371 84.900 -2.009 -15.135 1.00 1.80 H new ATOM 0 HE1 HIS A 371 83.663 -5.753 -16.643 1.00 2.10 H new ATOM 0 HE2 HIS A 371 84.125 -3.317 -17.287 1.00 1.80 H new ATOM 871 N ALA A 372 88.074 -2.782 -11.127 1.00 0.75 N ATOM 872 CA ALA A 372 88.796 -1.583 -10.622 1.00 0.94 C ATOM 873 C ALA A 372 89.977 -1.253 -11.533 1.00 0.90 C ATOM 874 O ALA A 372 90.024 -1.648 -12.680 1.00 1.04 O ATOM 875 CB ALA A 372 89.285 -1.968 -9.224 1.00 1.12 C ATOM 0 H ALA A 372 88.373 -3.667 -10.718 1.00 0.75 H new ATOM 0 HA ALA A 372 88.158 -0.699 -10.599 1.00 0.94 H new ATOM 0 HB1 ALA A 372 89.829 -1.131 -8.785 1.00 1.12 H new ATOM 0 HB2 ALA A 372 88.430 -2.215 -8.595 1.00 1.12 H new ATOM 0 HB3 ALA A 372 89.945 -2.832 -9.295 1.00 1.12 H new ATOM 881 N THR A 373 90.882 -0.457 -11.049 1.00 0.85 N ATOM 882 CA THR A 373 92.019 -0.002 -11.905 1.00 0.95 C ATOM 883 C THR A 373 93.363 -0.239 -11.216 1.00 0.93 C ATOM 884 O THR A 373 93.539 0.064 -10.056 1.00 0.95 O ATOM 885 CB THR A 373 91.795 1.495 -12.086 1.00 1.32 C ATOM 886 OG1 THR A 373 90.664 1.713 -12.919 1.00 2.11 O ATOM 887 CG2 THR A 373 93.035 2.134 -12.713 1.00 1.90 C ATOM 0 H THR A 373 90.888 -0.097 -10.095 1.00 0.85 H new ATOM 0 HA THR A 373 92.049 -0.547 -12.849 1.00 0.95 H new ATOM 0 HB THR A 373 91.615 1.951 -11.112 1.00 1.32 H new ATOM 0 HG1 THR A 373 90.522 2.676 -13.032 1.00 2.11 H new ATOM 0 HG21 THR A 373 92.868 3.204 -12.840 1.00 1.90 H new ATOM 0 HG22 THR A 373 93.895 1.975 -12.062 1.00 1.90 H new ATOM 0 HG23 THR A 373 93.227 1.679 -13.685 1.00 1.90 H new ATOM 895 N PHE A 374 94.352 -0.616 -11.971 1.00 1.01 N ATOM 896 CA PHE A 374 95.740 -0.682 -11.420 1.00 1.25 C ATOM 897 C PHE A 374 96.454 0.655 -11.663 1.00 1.63 C ATOM 898 O PHE A 374 96.287 1.269 -12.698 1.00 1.61 O ATOM 899 CB PHE A 374 96.439 -1.782 -12.228 1.00 1.33 C ATOM 900 CG PHE A 374 96.029 -3.154 -11.739 1.00 1.63 C ATOM 901 CD1 PHE A 374 96.289 -3.541 -10.414 1.00 2.53 C ATOM 902 CD2 PHE A 374 95.412 -4.052 -12.621 1.00 1.41 C ATOM 903 CE1 PHE A 374 95.932 -4.823 -9.975 1.00 3.09 C ATOM 904 CE2 PHE A 374 95.051 -5.333 -12.180 1.00 1.89 C ATOM 905 CZ PHE A 374 95.312 -5.719 -10.857 1.00 2.72 C ATOM 0 H PHE A 374 94.264 -0.884 -12.951 1.00 1.01 H new ATOM 0 HA PHE A 374 95.748 -0.883 -10.349 1.00 1.25 H new ATOM 0 HB2 PHE A 374 96.189 -1.678 -13.284 1.00 1.33 H new ATOM 0 HB3 PHE A 374 97.520 -1.669 -12.144 1.00 1.33 H new ATOM 0 HD1 PHE A 374 96.764 -2.850 -9.733 1.00 2.53 H new ATOM 0 HD2 PHE A 374 95.215 -3.757 -13.641 1.00 1.41 H new ATOM 0 HE1 PHE A 374 96.135 -5.121 -8.957 1.00 3.09 H new ATOM 0 HE2 PHE A 374 94.572 -6.023 -12.859 1.00 1.89 H new ATOM 0 HZ PHE A 374 95.035 -6.706 -10.518 1.00 2.72 H new ATOM 915 N VAL A 375 97.350 1.043 -10.795 1.00 2.14 N ATOM 916 CA VAL A 375 98.178 2.255 -11.081 1.00 2.61 C ATOM 917 C VAL A 375 99.646 1.853 -11.244 1.00 2.22 C ATOM 918 O VAL A 375 100.269 1.404 -10.301 1.00 1.65 O ATOM 919 CB VAL A 375 98.009 3.162 -9.863 1.00 3.32 C ATOM 920 CG1 VAL A 375 98.602 4.538 -10.168 1.00 4.00 C ATOM 921 CG2 VAL A 375 96.522 3.309 -9.533 1.00 3.65 C ATOM 0 H VAL A 375 97.545 0.579 -9.908 1.00 2.14 H new ATOM 0 HA VAL A 375 97.871 2.755 -12.000 1.00 2.61 H new ATOM 0 HB VAL A 375 98.526 2.722 -9.010 1.00 3.32 H new ATOM 0 HG11 VAL A 375 98.482 5.186 -9.300 1.00 4.00 H new ATOM 0 HG12 VAL A 375 99.662 4.434 -10.400 1.00 4.00 H new ATOM 0 HG13 VAL A 375 98.085 4.976 -11.022 1.00 4.00 H new ATOM 0 HG21 VAL A 375 96.404 3.956 -8.664 1.00 3.65 H new ATOM 0 HG22 VAL A 375 96.002 3.747 -10.385 1.00 3.65 H new ATOM 0 HG23 VAL A 375 96.099 2.328 -9.315 1.00 3.65 H new ATOM 931 N PRO A 376 100.122 1.946 -12.458 1.00 2.87 N ATOM 932 CA PRO A 376 101.496 1.491 -12.781 1.00 2.67 C ATOM 933 C PRO A 376 102.528 2.152 -11.859 1.00 2.48 C ATOM 934 O PRO A 376 102.355 3.266 -11.408 1.00 3.24 O ATOM 935 CB PRO A 376 101.710 1.925 -14.234 1.00 3.84 C ATOM 936 CG PRO A 376 100.553 2.813 -14.578 1.00 4.63 C ATOM 937 CD PRO A 376 99.434 2.483 -13.631 1.00 4.03 C ATOM 0 HA PRO A 376 101.616 0.416 -12.644 1.00 2.67 H new ATOM 0 HB2 PRO A 376 102.655 2.456 -14.347 1.00 3.84 H new ATOM 0 HB3 PRO A 376 101.748 1.061 -14.897 1.00 3.84 H new ATOM 0 HG2 PRO A 376 100.835 3.862 -14.488 1.00 4.63 H new ATOM 0 HG3 PRO A 376 100.241 2.654 -15.610 1.00 4.63 H new ATOM 0 HD2 PRO A 376 98.847 3.367 -13.381 1.00 4.03 H new ATOM 0 HD3 PRO A 376 98.747 1.754 -14.061 1.00 4.03 H new ATOM 945 N PHE A 377 103.616 1.473 -11.609 1.00 2.13 N ATOM 946 CA PHE A 377 104.692 2.050 -10.750 1.00 3.07 C ATOM 947 C PHE A 377 105.790 2.653 -11.629 1.00 3.61 C ATOM 948 O PHE A 377 106.423 1.967 -12.406 1.00 4.10 O ATOM 949 CB PHE A 377 105.226 0.847 -9.960 1.00 3.15 C ATOM 950 CG PHE A 377 106.369 1.263 -9.056 1.00 3.91 C ATOM 951 CD1 PHE A 377 106.668 2.620 -8.861 1.00 4.01 C ATOM 952 CD2 PHE A 377 107.143 0.281 -8.421 1.00 4.73 C ATOM 953 CE1 PHE A 377 107.735 2.992 -8.034 1.00 4.92 C ATOM 954 CE2 PHE A 377 108.214 0.654 -7.595 1.00 5.70 C ATOM 955 CZ PHE A 377 108.508 2.010 -7.403 1.00 5.79 C ATOM 0 H PHE A 377 103.807 0.537 -11.966 1.00 2.13 H new ATOM 0 HA PHE A 377 104.338 2.848 -10.097 1.00 3.07 H new ATOM 0 HB2 PHE A 377 104.424 0.413 -9.363 1.00 3.15 H new ATOM 0 HB3 PHE A 377 105.565 0.074 -10.650 1.00 3.15 H new ATOM 0 HD1 PHE A 377 106.074 3.379 -9.349 1.00 4.01 H new ATOM 0 HD2 PHE A 377 106.914 -0.764 -8.568 1.00 4.73 H new ATOM 0 HE1 PHE A 377 107.962 4.037 -7.883 1.00 4.92 H new ATOM 0 HE2 PHE A 377 108.811 -0.103 -7.108 1.00 5.70 H new ATOM 0 HZ PHE A 377 109.332 2.298 -6.767 1.00 5.79 H new ATOM 965 N THR A 378 106.065 3.917 -11.461 1.00 3.85 N ATOM 966 CA THR A 378 107.175 4.546 -12.233 1.00 4.47 C ATOM 967 C THR A 378 108.312 4.928 -11.285 1.00 4.28 C ATOM 968 O THR A 378 108.084 5.329 -10.161 1.00 3.71 O ATOM 969 CB THR A 378 106.560 5.794 -12.868 1.00 4.59 C ATOM 970 OG1 THR A 378 106.357 6.782 -11.866 1.00 4.26 O ATOM 971 CG2 THR A 378 105.222 5.435 -13.512 1.00 5.29 C ATOM 0 H THR A 378 105.570 4.541 -10.824 1.00 3.85 H new ATOM 0 HA THR A 378 107.594 3.876 -12.984 1.00 4.47 H new ATOM 0 HB THR A 378 107.234 6.183 -13.631 1.00 4.59 H new ATOM 0 HG1 THR A 378 105.964 7.583 -12.271 1.00 4.26 H new ATOM 0 HG21 THR A 378 104.785 6.326 -13.964 1.00 5.29 H new ATOM 0 HG22 THR A 378 105.379 4.678 -14.280 1.00 5.29 H new ATOM 0 HG23 THR A 378 104.545 5.045 -12.752 1.00 5.29 H new ATOM 979 N ALA A 379 109.533 4.754 -11.712 1.00 5.01 N ATOM 980 CA ALA A 379 110.688 5.050 -10.819 1.00 5.10 C ATOM 981 C ALA A 379 110.922 6.560 -10.723 1.00 5.05 C ATOM 982 O ALA A 379 111.475 7.050 -9.759 1.00 5.37 O ATOM 983 CB ALA A 379 111.884 4.365 -11.482 1.00 6.13 C ATOM 0 H ALA A 379 109.780 4.419 -12.643 1.00 5.01 H new ATOM 0 HA ALA A 379 110.521 4.694 -9.802 1.00 5.10 H new ATOM 0 HB1 ALA A 379 112.779 4.536 -10.884 1.00 6.13 H new ATOM 0 HB2 ALA A 379 111.695 3.294 -11.555 1.00 6.13 H new ATOM 0 HB3 ALA A 379 112.031 4.776 -12.481 1.00 6.13 H new ATOM 989 N GLN A 380 110.573 7.296 -11.745 1.00 4.87 N ATOM 990 CA GLN A 380 110.859 8.761 -11.731 1.00 4.93 C ATOM 991 C GLN A 380 110.198 9.409 -10.512 1.00 4.05 C ATOM 992 O GLN A 380 110.847 10.061 -9.717 1.00 3.84 O ATOM 993 CB GLN A 380 110.245 9.298 -13.023 1.00 5.65 C ATOM 994 CG GLN A 380 110.954 8.669 -14.225 1.00 6.07 C ATOM 995 CD GLN A 380 110.415 9.286 -15.517 1.00 7.03 C ATOM 996 OE1 GLN A 380 110.797 10.379 -15.887 1.00 7.74 O ATOM 997 NE2 GLN A 380 109.538 8.628 -16.223 1.00 7.22 N ATOM 0 H GLN A 380 110.106 6.950 -12.583 1.00 4.87 H new ATOM 0 HA GLN A 380 111.926 8.976 -11.670 1.00 4.93 H new ATOM 0 HB2 GLN A 380 109.180 9.069 -13.055 1.00 5.65 H new ATOM 0 HB3 GLN A 380 110.339 10.383 -13.059 1.00 5.65 H new ATOM 0 HG2 GLN A 380 112.029 8.832 -14.153 1.00 6.07 H new ATOM 0 HG3 GLN A 380 110.795 7.591 -14.231 1.00 6.07 H new ATOM 0 HE21 GLN A 380 109.218 7.711 -15.912 1.00 7.22 H new ATOM 0 HE22 GLN A 380 109.172 9.030 -17.086 1.00 7.22 H new ATOM 1006 N SER A 381 108.952 9.107 -10.278 1.00 3.64 N ATOM 1007 CA SER A 381 108.302 9.560 -9.017 1.00 3.06 C ATOM 1008 C SER A 381 108.507 8.509 -7.930 1.00 2.42 C ATOM 1009 O SER A 381 108.289 8.760 -6.763 1.00 3.00 O ATOM 1010 CB SER A 381 106.819 9.695 -9.361 1.00 3.49 C ATOM 1011 OG SER A 381 106.653 10.726 -10.326 1.00 3.82 O ATOM 0 H SER A 381 108.356 8.566 -10.905 1.00 3.64 H new ATOM 0 HA SER A 381 108.716 10.497 -8.645 1.00 3.06 H new ATOM 0 HB2 SER A 381 106.437 8.751 -9.750 1.00 3.49 H new ATOM 0 HB3 SER A 381 106.245 9.925 -8.463 1.00 3.49 H new ATOM 0 HG SER A 381 105.703 10.814 -10.550 1.00 3.82 H new ATOM 1017 N ARG A 382 108.855 7.311 -8.320 1.00 1.65 N ATOM 1018 CA ARG A 382 108.993 6.215 -7.323 1.00 1.74 C ATOM 1019 C ARG A 382 107.647 5.984 -6.631 1.00 1.57 C ATOM 1020 O ARG A 382 107.527 6.108 -5.428 1.00 2.08 O ATOM 1021 CB ARG A 382 110.045 6.711 -6.329 1.00 2.53 C ATOM 1022 CG ARG A 382 110.444 5.572 -5.389 1.00 2.69 C ATOM 1023 CD ARG A 382 111.646 6.006 -4.546 1.00 2.89 C ATOM 1024 NE ARG A 382 111.426 5.386 -3.211 1.00 3.36 N ATOM 1025 CZ ARG A 382 112.294 5.569 -2.251 1.00 3.67 C ATOM 1026 NH1 ARG A 382 113.367 6.285 -2.460 1.00 3.72 N ATOM 1027 NH2 ARG A 382 112.088 5.037 -1.077 1.00 4.25 N ATOM 0 H ARG A 382 109.049 7.047 -9.286 1.00 1.65 H new ATOM 0 HA ARG A 382 109.289 5.267 -7.773 1.00 1.74 H new ATOM 0 HB2 ARG A 382 110.921 7.077 -6.864 1.00 2.53 H new ATOM 0 HB3 ARG A 382 109.650 7.548 -5.754 1.00 2.53 H new ATOM 0 HG2 ARG A 382 109.607 5.310 -4.741 1.00 2.69 H new ATOM 0 HG3 ARG A 382 110.693 4.681 -5.965 1.00 2.69 H new ATOM 0 HD2 ARG A 382 112.582 5.666 -4.989 1.00 2.89 H new ATOM 0 HD3 ARG A 382 111.704 7.092 -4.472 1.00 2.89 H new ATOM 0 HE ARG A 382 110.596 4.817 -3.045 1.00 3.36 H new ATOM 0 HH11 ARG A 382 113.530 6.704 -3.376 1.00 3.72 H new ATOM 0 HH12 ARG A 382 114.041 6.425 -1.708 1.00 3.72 H new ATOM 0 HH21 ARG A 382 111.251 4.479 -0.910 1.00 4.25 H new ATOM 0 HH22 ARG A 382 112.765 5.179 -0.327 1.00 4.25 H new ATOM 1041 N MET A 383 106.619 5.702 -7.391 1.00 1.27 N ATOM 1042 CA MET A 383 105.274 5.527 -6.779 1.00 1.19 C ATOM 1043 C MET A 383 104.429 4.536 -7.581 1.00 1.07 C ATOM 1044 O MET A 383 104.421 4.544 -8.796 1.00 1.14 O ATOM 1045 CB MET A 383 104.634 6.916 -6.814 1.00 1.32 C ATOM 1046 CG MET A 383 105.412 7.860 -5.899 1.00 1.51 C ATOM 1047 SD MET A 383 104.560 9.456 -5.815 1.00 2.09 S ATOM 1048 CE MET A 383 103.169 8.916 -4.791 1.00 1.57 C ATOM 0 H MET A 383 106.656 5.587 -8.404 1.00 1.27 H new ATOM 0 HA MET A 383 105.345 5.128 -5.767 1.00 1.19 H new ATOM 0 HB2 MET A 383 104.632 7.301 -7.834 1.00 1.32 H new ATOM 0 HB3 MET A 383 103.594 6.857 -6.493 1.00 1.32 H new ATOM 0 HG2 MET A 383 105.498 7.428 -4.902 1.00 1.51 H new ATOM 0 HG3 MET A 383 106.426 7.996 -6.276 1.00 1.51 H new ATOM 0 HE1 MET A 383 102.244 8.993 -5.363 1.00 1.57 H new ATOM 0 HE2 MET A 383 103.322 7.881 -4.486 1.00 1.57 H new ATOM 0 HE3 MET A 383 103.102 9.549 -3.906 1.00 1.57 H new ATOM 1058 N SER A 384 103.620 3.785 -6.894 1.00 0.97 N ATOM 1059 CA SER A 384 102.637 2.894 -7.566 1.00 1.02 C ATOM 1060 C SER A 384 101.383 2.827 -6.700 1.00 0.93 C ATOM 1061 O SER A 384 101.381 3.286 -5.581 1.00 0.83 O ATOM 1062 CB SER A 384 103.318 1.530 -7.631 1.00 1.23 C ATOM 1063 OG SER A 384 103.287 0.929 -6.342 1.00 1.18 O ATOM 0 H SER A 384 103.598 3.750 -5.875 1.00 0.97 H new ATOM 0 HA SER A 384 102.347 3.238 -8.559 1.00 1.02 H new ATOM 0 HB2 SER A 384 102.812 0.892 -8.355 1.00 1.23 H new ATOM 0 HB3 SER A 384 104.348 1.641 -7.969 1.00 1.23 H new ATOM 0 HG SER A 384 104.178 0.588 -6.119 1.00 1.18 H new ATOM 1069 N GLY A 385 100.309 2.293 -7.197 1.00 1.02 N ATOM 1070 CA GLY A 385 99.075 2.253 -6.363 1.00 1.00 C ATOM 1071 C GLY A 385 97.958 1.544 -7.110 1.00 0.95 C ATOM 1072 O GLY A 385 98.173 0.844 -8.078 1.00 1.13 O ATOM 0 H GLY A 385 100.227 1.887 -8.129 1.00 1.02 H new ATOM 0 HA2 GLY A 385 99.279 1.738 -5.424 1.00 1.00 H new ATOM 0 HA3 GLY A 385 98.766 3.267 -6.109 1.00 1.00 H new ATOM 1076 N ILE A 386 96.762 1.740 -6.662 1.00 0.80 N ATOM 1077 CA ILE A 386 95.594 1.112 -7.319 1.00 0.78 C ATOM 1078 C ILE A 386 94.372 1.997 -7.102 1.00 0.77 C ATOM 1079 O ILE A 386 94.238 2.638 -6.084 1.00 0.80 O ATOM 1080 CB ILE A 386 95.436 -0.221 -6.604 1.00 0.81 C ATOM 1081 CG1 ILE A 386 94.106 -0.868 -6.978 1.00 0.86 C ATOM 1082 CG2 ILE A 386 95.477 0.002 -5.094 1.00 0.84 C ATOM 1083 CD1 ILE A 386 93.976 -2.164 -6.189 1.00 1.26 C ATOM 0 H ILE A 386 96.538 2.319 -5.853 1.00 0.80 H new ATOM 0 HA ILE A 386 95.712 0.981 -8.395 1.00 0.78 H new ATOM 0 HB ILE A 386 96.251 -0.879 -6.905 1.00 0.81 H new ATOM 0 HG12 ILE A 386 93.278 -0.197 -6.749 1.00 0.86 H new ATOM 0 HG13 ILE A 386 94.067 -1.068 -8.049 1.00 0.86 H new ATOM 0 HG21 ILE A 386 95.364 -0.954 -4.582 1.00 0.84 H new ATOM 0 HG22 ILE A 386 96.431 0.451 -4.818 1.00 0.84 H new ATOM 0 HG23 ILE A 386 94.665 0.668 -4.802 1.00 0.84 H new ATOM 0 HD11 ILE A 386 93.032 -2.648 -6.438 1.00 1.26 H new ATOM 0 HD12 ILE A 386 94.802 -2.828 -6.442 1.00 1.26 H new ATOM 0 HD13 ILE A 386 94.001 -1.944 -5.122 1.00 1.26 H new ATOM 1095 N ASN A 387 93.447 1.978 -8.004 1.00 0.78 N ATOM 1096 CA ASN A 387 92.198 2.753 -7.789 1.00 0.83 C ATOM 1097 C ASN A 387 91.007 1.820 -7.907 1.00 0.92 C ATOM 1098 O ASN A 387 90.744 1.274 -8.953 1.00 0.86 O ATOM 1099 CB ASN A 387 92.168 3.798 -8.898 1.00 0.91 C ATOM 1100 CG ASN A 387 93.471 4.589 -8.873 1.00 1.31 C ATOM 1101 OD1 ASN A 387 93.897 5.121 -9.880 1.00 2.04 O ATOM 1102 ND2 ASN A 387 94.130 4.685 -7.754 1.00 1.81 N ATOM 0 H ASN A 387 93.496 1.462 -8.882 1.00 0.78 H new ATOM 0 HA ASN A 387 92.160 3.220 -6.805 1.00 0.83 H new ATOM 0 HB2 ASN A 387 92.040 3.315 -9.867 1.00 0.91 H new ATOM 0 HB3 ASN A 387 91.319 4.468 -8.761 1.00 0.91 H new ATOM 0 HD21 ASN A 387 95.005 5.207 -7.721 1.00 1.81 H new ATOM 0 HD22 ASN A 387 93.771 4.238 -6.911 1.00 1.81 H new ATOM 1109 N ILE A 388 90.414 1.479 -6.812 1.00 1.18 N ATOM 1110 CA ILE A 388 89.400 0.401 -6.849 1.00 1.31 C ATOM 1111 C ILE A 388 88.030 1.005 -6.589 1.00 1.70 C ATOM 1112 O ILE A 388 87.927 2.086 -6.051 1.00 1.89 O ATOM 1113 CB ILE A 388 89.828 -0.557 -5.736 1.00 1.24 C ATOM 1114 CG1 ILE A 388 89.119 -1.909 -5.885 1.00 1.66 C ATOM 1115 CG2 ILE A 388 89.518 0.050 -4.370 1.00 1.50 C ATOM 1116 CD1 ILE A 388 87.625 -1.760 -5.608 1.00 2.11 C ATOM 0 H ILE A 388 90.583 1.895 -5.896 1.00 1.18 H new ATOM 0 HA ILE A 388 89.334 -0.116 -7.806 1.00 1.31 H new ATOM 0 HB ILE A 388 90.903 -0.719 -5.816 1.00 1.24 H new ATOM 0 HG12 ILE A 388 89.272 -2.298 -6.892 1.00 1.66 H new ATOM 0 HG13 ILE A 388 89.553 -2.632 -5.195 1.00 1.66 H new ATOM 0 HG21 ILE A 388 89.827 -0.641 -3.586 1.00 1.50 H new ATOM 0 HG22 ILE A 388 90.058 0.990 -4.259 1.00 1.50 H new ATOM 0 HG23 ILE A 388 88.447 0.235 -4.289 1.00 1.50 H new ATOM 0 HD11 ILE A 388 87.136 -2.728 -5.718 1.00 2.11 H new ATOM 0 HD12 ILE A 388 87.478 -1.393 -4.592 1.00 2.11 H new ATOM 0 HD13 ILE A 388 87.192 -1.053 -6.316 1.00 2.11 H new ATOM 1128 N ASP A 389 87.000 0.385 -7.083 1.00 1.97 N ATOM 1129 CA ASP A 389 85.630 0.983 -7.005 1.00 2.37 C ATOM 1130 C ASP A 389 85.172 1.171 -5.554 1.00 2.14 C ATOM 1131 O ASP A 389 84.124 0.703 -5.156 1.00 2.92 O ATOM 1132 CB ASP A 389 84.734 -0.028 -7.685 1.00 2.65 C ATOM 1133 CG ASP A 389 85.057 -0.089 -9.178 1.00 3.31 C ATOM 1134 OD1 ASP A 389 85.769 0.785 -9.647 1.00 3.85 O ATOM 1135 OD2 ASP A 389 84.588 -1.007 -9.830 1.00 3.63 O ATOM 0 H ASP A 389 87.043 -0.523 -7.545 1.00 1.97 H new ATOM 0 HA ASP A 389 85.605 1.969 -7.469 1.00 2.37 H new ATOM 0 HB2 ASP A 389 84.872 -1.011 -7.234 1.00 2.65 H new ATOM 0 HB3 ASP A 389 83.689 0.245 -7.541 1.00 2.65 H new ATOM 1140 N ASN A 390 85.927 1.889 -4.791 1.00 1.20 N ATOM 1141 CA ASN A 390 85.555 2.176 -3.379 1.00 1.12 C ATOM 1142 C ASN A 390 86.654 3.015 -2.714 1.00 0.97 C ATOM 1143 O ASN A 390 86.413 3.709 -1.746 1.00 1.15 O ATOM 1144 CB ASN A 390 85.457 0.807 -2.698 1.00 1.13 C ATOM 1145 CG ASN A 390 84.574 0.918 -1.455 1.00 1.53 C ATOM 1146 OD1 ASN A 390 83.792 1.840 -1.330 1.00 2.33 O ATOM 1147 ND2 ASN A 390 84.667 0.011 -0.520 1.00 1.89 N ATOM 0 H ASN A 390 86.811 2.303 -5.088 1.00 1.20 H new ATOM 0 HA ASN A 390 84.622 2.734 -3.306 1.00 1.12 H new ATOM 0 HB2 ASN A 390 85.040 0.074 -3.389 1.00 1.13 H new ATOM 0 HB3 ASN A 390 86.451 0.455 -2.421 1.00 1.13 H new ATOM 0 HD21 ASN A 390 84.084 0.077 0.314 1.00 1.89 H new ATOM 0 HD22 ASN A 390 85.323 -0.763 -0.624 1.00 1.89 H new ATOM 1154 N ARG A 391 87.883 2.849 -3.138 1.00 0.83 N ATOM 1155 CA ARG A 391 89.009 3.521 -2.424 1.00 0.73 C ATOM 1156 C ARG A 391 90.220 3.729 -3.339 1.00 0.74 C ATOM 1157 O ARG A 391 90.558 2.887 -4.142 1.00 1.10 O ATOM 1158 CB ARG A 391 89.373 2.570 -1.281 1.00 0.94 C ATOM 1159 CG ARG A 391 88.231 2.520 -0.264 1.00 1.05 C ATOM 1160 CD ARG A 391 88.670 1.706 0.955 1.00 1.30 C ATOM 1161 NE ARG A 391 89.071 0.380 0.407 1.00 1.92 N ATOM 1162 CZ ARG A 391 89.692 -0.485 1.166 1.00 2.13 C ATOM 1163 NH1 ARG A 391 89.965 -0.192 2.409 1.00 2.15 N ATOM 1164 NH2 ARG A 391 90.039 -1.645 0.679 1.00 2.69 N ATOM 0 H ARG A 391 88.152 2.281 -3.942 1.00 0.83 H new ATOM 0 HA ARG A 391 88.719 4.512 -2.076 1.00 0.73 H new ATOM 0 HB2 ARG A 391 89.566 1.572 -1.674 1.00 0.94 H new ATOM 0 HB3 ARG A 391 90.290 2.904 -0.796 1.00 0.94 H new ATOM 0 HG2 ARG A 391 87.955 3.530 0.040 1.00 1.05 H new ATOM 0 HG3 ARG A 391 87.347 2.071 -0.716 1.00 1.05 H new ATOM 0 HD2 ARG A 391 89.500 2.187 1.473 1.00 1.30 H new ATOM 0 HD3 ARG A 391 87.859 1.606 1.676 1.00 1.30 H new ATOM 0 HE ARG A 391 88.861 0.146 -0.563 1.00 1.92 H new ATOM 0 HH11 ARG A 391 89.694 0.714 2.791 1.00 2.15 H new ATOM 0 HH12 ARG A 391 90.450 -0.869 2.998 1.00 2.15 H new ATOM 0 HH21 ARG A 391 89.826 -1.875 -0.292 1.00 2.69 H new ATOM 0 HH22 ARG A 391 90.524 -2.321 1.269 1.00 2.69 H new ATOM 1178 N MET A 392 90.949 4.791 -3.126 1.00 0.48 N ATOM 1179 CA MET A 392 92.226 4.985 -3.872 1.00 0.51 C ATOM 1180 C MET A 392 93.409 4.612 -2.972 1.00 0.48 C ATOM 1181 O MET A 392 93.437 4.953 -1.806 1.00 0.52 O ATOM 1182 CB MET A 392 92.261 6.476 -4.210 1.00 0.59 C ATOM 1183 CG MET A 392 91.115 6.812 -5.165 1.00 1.14 C ATOM 1184 SD MET A 392 91.237 8.546 -5.669 1.00 1.31 S ATOM 1185 CE MET A 392 89.707 8.611 -6.633 1.00 2.02 C ATOM 0 H MET A 392 90.715 5.534 -2.467 1.00 0.48 H new ATOM 0 HA MET A 392 92.289 4.364 -4.766 1.00 0.51 H new ATOM 0 HB2 MET A 392 92.174 7.068 -3.299 1.00 0.59 H new ATOM 0 HB3 MET A 392 93.216 6.733 -4.667 1.00 0.59 H new ATOM 0 HG2 MET A 392 91.156 6.164 -6.041 1.00 1.14 H new ATOM 0 HG3 MET A 392 90.157 6.630 -4.678 1.00 1.14 H new ATOM 0 HE1 MET A 392 89.579 9.612 -7.046 1.00 2.02 H new ATOM 0 HE2 MET A 392 89.758 7.887 -7.446 1.00 2.02 H new ATOM 0 HE3 MET A 392 88.861 8.374 -5.989 1.00 2.02 H new ATOM 1195 N ILE A 393 94.414 3.972 -3.507 1.00 0.45 N ATOM 1196 CA ILE A 393 95.612 3.655 -2.679 1.00 0.45 C ATOM 1197 C ILE A 393 96.881 4.096 -3.413 1.00 0.50 C ATOM 1198 O ILE A 393 97.041 3.841 -4.588 1.00 0.60 O ATOM 1199 CB ILE A 393 95.589 2.135 -2.501 1.00 0.43 C ATOM 1200 CG1 ILE A 393 94.236 1.706 -1.927 1.00 1.21 C ATOM 1201 CG2 ILE A 393 96.705 1.721 -1.540 1.00 0.98 C ATOM 1202 CD1 ILE A 393 94.055 2.307 -0.533 1.00 1.68 C ATOM 0 H ILE A 393 94.457 3.657 -4.476 1.00 0.45 H new ATOM 0 HA ILE A 393 95.601 4.170 -1.718 1.00 0.45 H new ATOM 0 HB ILE A 393 95.741 1.653 -3.467 1.00 0.43 H new ATOM 0 HG12 ILE A 393 93.430 2.036 -2.583 1.00 1.21 H new ATOM 0 HG13 ILE A 393 94.180 0.619 -1.875 1.00 1.21 H new ATOM 0 HG21 ILE A 393 96.691 0.639 -1.411 1.00 0.98 H new ATOM 0 HG22 ILE A 393 97.669 2.026 -1.949 1.00 0.98 H new ATOM 0 HG23 ILE A 393 96.551 2.203 -0.575 1.00 0.98 H new ATOM 0 HD11 ILE A 393 93.091 2.000 -0.127 1.00 1.68 H new ATOM 0 HD12 ILE A 393 94.853 1.956 0.121 1.00 1.68 H new ATOM 0 HD13 ILE A 393 94.092 3.394 -0.598 1.00 1.68 H new ATOM 1214 N ARG A 394 97.820 4.675 -2.714 1.00 0.63 N ATOM 1215 CA ARG A 394 99.112 5.035 -3.368 1.00 0.72 C ATOM 1216 C ARG A 394 100.285 4.759 -2.421 1.00 0.60 C ATOM 1217 O ARG A 394 100.206 4.988 -1.234 1.00 0.54 O ATOM 1218 CB ARG A 394 99.004 6.528 -3.675 1.00 0.78 C ATOM 1219 CG ARG A 394 97.876 6.764 -4.681 1.00 1.27 C ATOM 1220 CD ARG A 394 98.258 6.148 -6.029 1.00 1.04 C ATOM 1221 NE ARG A 394 99.436 6.936 -6.490 1.00 1.47 N ATOM 1222 CZ ARG A 394 99.272 8.131 -6.992 1.00 1.92 C ATOM 1223 NH1 ARG A 394 98.075 8.643 -7.096 1.00 2.78 N ATOM 1224 NH2 ARG A 394 100.308 8.815 -7.392 1.00 2.09 N ATOM 0 H ARG A 394 97.750 4.913 -1.725 1.00 0.63 H new ATOM 0 HA ARG A 394 99.292 4.449 -4.269 1.00 0.72 H new ATOM 0 HB2 ARG A 394 98.810 7.085 -2.758 1.00 0.78 H new ATOM 0 HB3 ARG A 394 99.948 6.896 -4.078 1.00 0.78 H new ATOM 0 HG2 ARG A 394 96.950 6.320 -4.316 1.00 1.27 H new ATOM 0 HG3 ARG A 394 97.694 7.833 -4.796 1.00 1.27 H new ATOM 0 HD2 ARG A 394 98.505 5.092 -5.925 1.00 1.04 H new ATOM 0 HD3 ARG A 394 97.435 6.214 -6.741 1.00 1.04 H new ATOM 0 HE ARG A 394 100.373 6.541 -6.413 1.00 1.47 H new ATOM 0 HH11 ARG A 394 97.263 8.110 -6.785 1.00 2.78 H new ATOM 0 HH12 ARG A 394 97.952 9.576 -7.489 1.00 2.78 H new ATOM 0 HH21 ARG A 394 101.244 8.417 -7.313 1.00 2.09 H new ATOM 0 HH22 ARG A 394 100.183 9.748 -7.784 1.00 2.09 H new ATOM 1238 N LYS A 395 101.383 4.301 -2.953 1.00 0.63 N ATOM 1239 CA LYS A 395 102.586 4.041 -2.112 1.00 0.58 C ATOM 1240 C LYS A 395 103.846 4.397 -2.902 1.00 0.60 C ATOM 1241 O LYS A 395 103.907 4.204 -4.096 1.00 0.68 O ATOM 1242 CB LYS A 395 102.551 2.542 -1.826 1.00 0.72 C ATOM 1243 CG LYS A 395 103.628 2.184 -0.802 1.00 0.80 C ATOM 1244 CD LYS A 395 104.913 1.809 -1.536 1.00 1.11 C ATOM 1245 CE LYS A 395 104.679 0.531 -2.342 1.00 1.15 C ATOM 1246 NZ LYS A 395 106.002 -0.146 -2.364 1.00 1.57 N ATOM 0 H LYS A 395 101.500 4.093 -3.945 1.00 0.63 H new ATOM 0 HA LYS A 395 102.592 4.631 -1.195 1.00 0.58 H new ATOM 0 HB2 LYS A 395 101.569 2.258 -1.449 1.00 0.72 H new ATOM 0 HB3 LYS A 395 102.713 1.983 -2.748 1.00 0.72 H new ATOM 0 HG2 LYS A 395 103.808 3.028 -0.136 1.00 0.80 H new ATOM 0 HG3 LYS A 395 103.294 1.353 -0.181 1.00 0.80 H new ATOM 0 HD2 LYS A 395 105.217 2.620 -2.198 1.00 1.11 H new ATOM 0 HD3 LYS A 395 105.723 1.659 -0.822 1.00 1.11 H new ATOM 0 HE2 LYS A 395 103.920 -0.098 -1.877 1.00 1.15 H new ATOM 0 HE3 LYS A 395 104.332 0.756 -3.350 1.00 1.15 H new ATOM 0 HZ1 LYS A 395 105.945 -0.999 -2.956 1.00 1.57 H new ATOM 0 HZ2 LYS A 395 106.716 0.500 -2.756 1.00 1.57 H new ATOM 0 HZ3 LYS A 395 106.271 -0.413 -1.396 1.00 1.57 H new ATOM 1260 N GLY A 396 104.845 4.921 -2.258 1.00 0.56 N ATOM 1261 CA GLY A 396 106.087 5.292 -3.003 1.00 0.60 C ATOM 1262 C GLY A 396 107.105 5.916 -2.051 1.00 0.55 C ATOM 1263 O GLY A 396 107.138 5.610 -0.878 1.00 0.82 O ATOM 0 H GLY A 396 104.862 5.110 -1.256 1.00 0.56 H new ATOM 0 HA2 GLY A 396 106.514 4.408 -3.476 1.00 0.60 H new ATOM 0 HA3 GLY A 396 105.845 5.995 -3.801 1.00 0.60 H new ATOM 1267 N SER A 397 107.983 6.738 -2.564 1.00 0.50 N ATOM 1268 CA SER A 397 109.050 7.312 -1.700 1.00 0.60 C ATOM 1269 C SER A 397 108.464 8.357 -0.752 1.00 0.48 C ATOM 1270 O SER A 397 107.382 8.868 -0.964 1.00 0.61 O ATOM 1271 CB SER A 397 110.059 7.950 -2.655 1.00 0.91 C ATOM 1272 OG SER A 397 109.725 9.316 -2.858 1.00 1.17 O ATOM 0 H SER A 397 108.005 7.034 -3.540 1.00 0.50 H new ATOM 0 HA SER A 397 109.519 6.550 -1.077 1.00 0.60 H new ATOM 0 HB2 SER A 397 111.065 7.868 -2.244 1.00 0.91 H new ATOM 0 HB3 SER A 397 110.059 7.420 -3.607 1.00 0.91 H new ATOM 0 HG SER A 397 110.250 9.875 -2.248 1.00 1.17 H new ATOM 1278 N VAL A 398 109.155 8.651 0.314 1.00 0.53 N ATOM 1279 CA VAL A 398 108.617 9.631 1.296 1.00 0.47 C ATOM 1280 C VAL A 398 108.394 10.978 0.613 1.00 0.51 C ATOM 1281 O VAL A 398 107.313 11.523 0.644 1.00 0.51 O ATOM 1282 CB VAL A 398 109.691 9.747 2.371 1.00 0.46 C ATOM 1283 CG1 VAL A 398 109.306 10.855 3.353 1.00 0.50 C ATOM 1284 CG2 VAL A 398 109.801 8.418 3.116 1.00 0.51 C ATOM 0 H VAL A 398 110.066 8.256 0.547 1.00 0.53 H new ATOM 0 HA VAL A 398 107.660 9.319 1.714 1.00 0.47 H new ATOM 0 HB VAL A 398 110.650 9.987 1.911 1.00 0.46 H new ATOM 0 HG11 VAL A 398 110.072 10.941 4.123 1.00 0.50 H new ATOM 0 HG12 VAL A 398 109.221 11.801 2.819 1.00 0.50 H new ATOM 0 HG13 VAL A 398 108.350 10.614 3.817 1.00 0.50 H new ATOM 0 HG21 VAL A 398 110.568 8.495 3.886 1.00 0.51 H new ATOM 0 HG22 VAL A 398 108.844 8.180 3.580 1.00 0.51 H new ATOM 0 HG23 VAL A 398 110.070 7.629 2.414 1.00 0.51 H new ATOM 1294 N ASP A 399 109.359 11.439 -0.131 1.00 0.55 N ATOM 1295 CA ASP A 399 109.129 12.655 -0.954 1.00 0.62 C ATOM 1296 C ASP A 399 107.985 12.388 -1.930 1.00 0.64 C ATOM 1297 O ASP A 399 107.162 13.240 -2.196 1.00 0.64 O ATOM 1298 CB ASP A 399 110.440 12.881 -1.707 1.00 0.71 C ATOM 1299 CG ASP A 399 110.396 14.237 -2.414 1.00 1.10 C ATOM 1300 OD1 ASP A 399 109.425 14.951 -2.222 1.00 1.46 O ATOM 1301 OD2 ASP A 399 111.331 14.537 -3.136 1.00 1.59 O ATOM 0 H ASP A 399 110.290 11.029 -0.204 1.00 0.55 H new ATOM 0 HA ASP A 399 108.857 13.526 -0.358 1.00 0.62 H new ATOM 0 HB2 ASP A 399 111.280 12.848 -1.014 1.00 0.71 H new ATOM 0 HB3 ASP A 399 110.596 12.085 -2.435 1.00 0.71 H new ATOM 1306 N ALA A 400 107.926 11.196 -2.457 1.00 0.70 N ATOM 1307 CA ALA A 400 106.839 10.855 -3.412 1.00 0.76 C ATOM 1308 C ALA A 400 105.467 10.979 -2.738 1.00 0.72 C ATOM 1309 O ALA A 400 104.560 11.588 -3.270 1.00 0.75 O ATOM 1310 CB ALA A 400 107.113 9.403 -3.814 1.00 0.85 C ATOM 0 H ALA A 400 108.587 10.443 -2.266 1.00 0.70 H new ATOM 0 HA ALA A 400 106.823 11.525 -4.272 1.00 0.76 H new ATOM 0 HB1 ALA A 400 106.352 9.071 -4.521 1.00 0.85 H new ATOM 0 HB2 ALA A 400 108.096 9.334 -4.280 1.00 0.85 H new ATOM 0 HB3 ALA A 400 107.086 8.769 -2.928 1.00 0.85 H new ATOM 1316 N ILE A 401 105.284 10.370 -1.598 1.00 0.67 N ATOM 1317 CA ILE A 401 103.942 10.421 -0.946 1.00 0.66 C ATOM 1318 C ILE A 401 103.622 11.836 -0.456 1.00 0.59 C ATOM 1319 O ILE A 401 102.502 12.288 -0.547 1.00 0.64 O ATOM 1320 CB ILE A 401 104.028 9.442 0.224 1.00 0.64 C ATOM 1321 CG1 ILE A 401 104.364 8.043 -0.302 1.00 0.81 C ATOM 1322 CG2 ILE A 401 102.686 9.402 0.956 1.00 0.68 C ATOM 1323 CD1 ILE A 401 103.486 7.718 -1.514 1.00 0.62 C ATOM 0 H ILE A 401 105.997 9.844 -1.093 1.00 0.67 H new ATOM 0 HA ILE A 401 103.144 10.155 -1.640 1.00 0.66 H new ATOM 0 HB ILE A 401 104.808 9.768 0.912 1.00 0.64 H new ATOM 0 HG12 ILE A 401 105.417 7.993 -0.580 1.00 0.81 H new ATOM 0 HG13 ILE A 401 104.206 7.302 0.482 1.00 0.81 H new ATOM 0 HG21 ILE A 401 102.747 8.704 1.791 1.00 0.68 H new ATOM 0 HG22 ILE A 401 102.447 10.397 1.332 1.00 0.68 H new ATOM 0 HG23 ILE A 401 101.906 9.077 0.268 1.00 0.68 H new ATOM 0 HD11 ILE A 401 103.730 6.722 -1.883 1.00 0.62 H new ATOM 0 HD12 ILE A 401 102.436 7.750 -1.222 1.00 0.62 H new ATOM 0 HD13 ILE A 401 103.666 8.451 -2.301 1.00 0.62 H new ATOM 1335 N ARG A 402 104.596 12.557 0.022 1.00 0.50 N ATOM 1336 CA ARG A 402 104.327 13.955 0.464 1.00 0.47 C ATOM 1337 C ARG A 402 103.757 14.774 -0.700 1.00 0.54 C ATOM 1338 O ARG A 402 102.805 15.510 -0.545 1.00 0.62 O ATOM 1339 CB ARG A 402 105.689 14.510 0.882 1.00 0.44 C ATOM 1340 CG ARG A 402 105.508 15.910 1.470 1.00 1.17 C ATOM 1341 CD ARG A 402 105.001 15.795 2.909 1.00 1.24 C ATOM 1342 NE ARG A 402 104.775 17.199 3.352 1.00 1.71 N ATOM 1343 CZ ARG A 402 103.682 17.832 3.010 1.00 2.17 C ATOM 1344 NH1 ARG A 402 102.786 17.246 2.262 1.00 2.62 N ATOM 1345 NH2 ARG A 402 103.489 19.057 3.414 1.00 2.61 N ATOM 0 H ARG A 402 105.561 12.243 0.126 1.00 0.50 H new ATOM 0 HA ARG A 402 103.601 13.997 1.276 1.00 0.47 H new ATOM 0 HB2 ARG A 402 106.152 13.852 1.617 1.00 0.44 H new ATOM 0 HB3 ARG A 402 106.358 14.548 0.022 1.00 0.44 H new ATOM 0 HG2 ARG A 402 106.454 16.451 1.448 1.00 1.17 H new ATOM 0 HG3 ARG A 402 104.801 16.481 0.868 1.00 1.17 H new ATOM 0 HD2 ARG A 402 104.081 15.213 2.958 1.00 1.24 H new ATOM 0 HD3 ARG A 402 105.730 15.293 3.545 1.00 1.24 H new ATOM 0 HE ARG A 402 105.476 17.669 3.925 1.00 1.71 H new ATOM 0 HH11 ARG A 402 102.936 16.290 1.941 1.00 2.62 H new ATOM 0 HH12 ARG A 402 101.936 17.745 1.999 1.00 2.62 H new ATOM 0 HH21 ARG A 402 104.189 19.519 3.995 1.00 2.61 H new ATOM 0 HH22 ARG A 402 102.638 19.553 3.149 1.00 2.61 H new ATOM 1359 N ARG A 403 104.325 14.639 -1.868 1.00 0.54 N ATOM 1360 CA ARG A 403 103.808 15.401 -3.041 1.00 0.62 C ATOM 1361 C ARG A 403 102.421 14.900 -3.448 1.00 0.72 C ATOM 1362 O ARG A 403 101.548 15.672 -3.790 1.00 0.82 O ATOM 1363 CB ARG A 403 104.818 15.154 -4.153 1.00 0.63 C ATOM 1364 CG ARG A 403 106.158 15.763 -3.748 1.00 0.83 C ATOM 1365 CD ARG A 403 106.983 16.030 -5.002 1.00 0.96 C ATOM 1366 NE ARG A 403 108.332 16.417 -4.503 1.00 1.38 N ATOM 1367 CZ ARG A 403 109.275 16.747 -5.347 1.00 2.01 C ATOM 1368 NH1 ARG A 403 109.040 16.739 -6.633 1.00 2.48 N ATOM 1369 NH2 ARG A 403 110.454 17.084 -4.903 1.00 2.46 N ATOM 0 H ARG A 403 105.124 14.035 -2.061 1.00 0.54 H new ATOM 0 HA ARG A 403 103.698 16.462 -2.818 1.00 0.62 H new ATOM 0 HB2 ARG A 403 104.929 14.084 -4.331 1.00 0.63 H new ATOM 0 HB3 ARG A 403 104.469 15.598 -5.085 1.00 0.63 H new ATOM 0 HG2 ARG A 403 105.999 16.690 -3.198 1.00 0.83 H new ATOM 0 HG3 ARG A 403 106.693 15.086 -3.083 1.00 0.83 H new ATOM 0 HD2 ARG A 403 107.036 15.144 -5.635 1.00 0.96 H new ATOM 0 HD3 ARG A 403 106.542 16.825 -5.603 1.00 0.96 H new ATOM 0 HE ARG A 403 108.521 16.425 -3.501 1.00 1.38 H new ATOM 0 HH11 ARG A 403 108.118 16.475 -6.981 1.00 2.48 H new ATOM 0 HH12 ARG A 403 109.778 16.997 -7.288 1.00 2.48 H new ATOM 0 HH21 ARG A 403 110.639 17.090 -3.900 1.00 2.46 H new ATOM 0 HH22 ARG A 403 111.191 17.342 -5.559 1.00 2.46 H new ATOM 1383 N HIS A 404 102.187 13.620 -3.360 1.00 0.74 N ATOM 1384 CA HIS A 404 100.832 13.090 -3.688 1.00 0.86 C ATOM 1385 C HIS A 404 99.791 13.638 -2.706 1.00 0.84 C ATOM 1386 O HIS A 404 98.700 14.012 -3.088 1.00 0.94 O ATOM 1387 CB HIS A 404 100.959 11.573 -3.557 1.00 0.92 C ATOM 1388 CG HIS A 404 99.655 10.927 -3.939 1.00 1.32 C ATOM 1389 ND1 HIS A 404 98.719 10.534 -2.996 1.00 1.39 N ATOM 1390 CD2 HIS A 404 99.118 10.599 -5.160 1.00 2.29 C ATOM 1391 CE1 HIS A 404 97.677 9.999 -3.657 1.00 1.88 C ATOM 1392 NE2 HIS A 404 97.869 10.013 -4.979 1.00 2.43 N ATOM 0 H HIS A 404 102.872 12.920 -3.076 1.00 0.74 H new ATOM 0 HA HIS A 404 100.503 13.385 -4.685 1.00 0.86 H new ATOM 0 HB2 HIS A 404 101.760 11.207 -4.199 1.00 0.92 H new ATOM 0 HB3 HIS A 404 101.224 11.306 -2.534 1.00 0.92 H new ATOM 0 HD1 HIS A 404 98.805 10.633 -1.984 1.00 1.39 H new ATOM 0 HD2 HIS A 404 99.593 10.770 -6.115 1.00 2.29 H new ATOM 0 HE1 HIS A 404 96.793 9.606 -3.177 1.00 1.88 H new ATOM 1400 N VAL A 405 100.134 13.740 -1.452 1.00 0.76 N ATOM 1401 CA VAL A 405 99.177 14.318 -0.467 1.00 0.79 C ATOM 1402 C VAL A 405 98.902 15.789 -0.791 1.00 0.85 C ATOM 1403 O VAL A 405 97.775 16.232 -0.772 1.00 0.94 O ATOM 1404 CB VAL A 405 99.872 14.183 0.888 1.00 0.76 C ATOM 1405 CG1 VAL A 405 99.008 14.829 1.971 1.00 0.80 C ATOM 1406 CG2 VAL A 405 100.074 12.702 1.213 1.00 0.76 C ATOM 0 H VAL A 405 101.033 13.449 -1.067 1.00 0.76 H new ATOM 0 HA VAL A 405 98.213 13.809 -0.481 1.00 0.79 H new ATOM 0 HB VAL A 405 100.840 14.682 0.850 1.00 0.76 H new ATOM 0 HG11 VAL A 405 99.503 14.733 2.937 1.00 0.80 H new ATOM 0 HG12 VAL A 405 98.864 15.885 1.740 1.00 0.80 H new ATOM 0 HG13 VAL A 405 98.039 14.331 2.009 1.00 0.80 H new ATOM 0 HG21 VAL A 405 100.570 12.606 2.179 1.00 0.76 H new ATOM 0 HG22 VAL A 405 99.106 12.202 1.250 1.00 0.76 H new ATOM 0 HG23 VAL A 405 100.691 12.241 0.441 1.00 0.76 H new ATOM 1416 N GLU A 406 99.920 16.563 -1.040 1.00 0.84 N ATOM 1417 CA GLU A 406 99.696 18.015 -1.301 1.00 0.95 C ATOM 1418 C GLU A 406 98.837 18.218 -2.556 1.00 1.05 C ATOM 1419 O GLU A 406 98.028 19.122 -2.622 1.00 1.19 O ATOM 1420 CB GLU A 406 101.092 18.602 -1.507 1.00 0.91 C ATOM 1421 CG GLU A 406 101.895 18.477 -0.212 1.00 0.88 C ATOM 1422 CD GLU A 406 103.269 19.121 -0.398 1.00 1.43 C ATOM 1423 OE1 GLU A 406 103.593 19.465 -1.523 1.00 1.86 O ATOM 1424 OE2 GLU A 406 103.974 19.261 0.588 1.00 2.16 O ATOM 0 H GLU A 406 100.893 16.258 -1.074 1.00 0.84 H new ATOM 0 HA GLU A 406 99.165 18.497 -0.480 1.00 0.95 H new ATOM 0 HB2 GLU A 406 101.602 18.079 -2.316 1.00 0.91 H new ATOM 0 HB3 GLU A 406 101.018 19.649 -1.802 1.00 0.91 H new ATOM 0 HG2 GLU A 406 101.363 18.962 0.606 1.00 0.88 H new ATOM 0 HG3 GLU A 406 102.008 17.427 0.058 1.00 0.88 H new ATOM 1431 N ALA A 407 99.007 17.395 -3.555 1.00 1.02 N ATOM 1432 CA ALA A 407 98.199 17.560 -4.799 1.00 1.17 C ATOM 1433 C ALA A 407 96.729 17.271 -4.502 1.00 1.32 C ATOM 1434 O ALA A 407 95.852 18.041 -4.839 1.00 1.53 O ATOM 1435 CB ALA A 407 98.763 16.531 -5.780 1.00 1.12 C ATOM 0 H ALA A 407 99.668 16.618 -3.565 1.00 1.02 H new ATOM 0 HA ALA A 407 98.253 18.572 -5.201 1.00 1.17 H new ATOM 0 HB1 ALA A 407 98.219 16.590 -6.723 1.00 1.12 H new ATOM 0 HB2 ALA A 407 99.819 16.737 -5.957 1.00 1.12 H new ATOM 0 HB3 ALA A 407 98.654 15.531 -5.361 1.00 1.12 H new ATOM 1441 N ASN A 408 96.477 16.253 -3.732 1.00 1.23 N ATOM 1442 CA ASN A 408 95.096 16.006 -3.244 1.00 1.37 C ATOM 1443 C ASN A 408 94.689 17.136 -2.304 1.00 1.44 C ATOM 1444 O ASN A 408 93.522 17.401 -2.092 1.00 1.60 O ATOM 1445 CB ASN A 408 95.189 14.683 -2.489 1.00 1.27 C ATOM 1446 CG ASN A 408 95.397 13.540 -3.485 1.00 1.88 C ATOM 1447 OD1 ASN A 408 96.211 12.666 -3.264 1.00 2.75 O ATOM 1448 ND2 ASN A 408 94.688 13.509 -4.581 1.00 2.02 N ATOM 0 H ASN A 408 97.173 15.577 -3.418 1.00 1.23 H new ATOM 0 HA ASN A 408 94.356 15.965 -4.044 1.00 1.37 H new ATOM 0 HB2 ASN A 408 96.015 14.715 -1.778 1.00 1.27 H new ATOM 0 HB3 ASN A 408 94.279 14.516 -1.913 1.00 1.27 H new ATOM 0 HD21 ASN A 408 94.818 12.751 -5.251 1.00 2.02 H new ATOM 0 HD22 ASN A 408 94.004 14.243 -4.767 1.00 2.02 H new ATOM 1455 N GLY A 409 95.653 17.736 -1.668 1.00 1.37 N ATOM 1456 CA GLY A 409 95.353 18.774 -0.653 1.00 1.51 C ATOM 1457 C GLY A 409 95.359 18.135 0.736 1.00 1.69 C ATOM 1458 O GLY A 409 94.733 18.618 1.658 1.00 2.28 O ATOM 0 H GLY A 409 96.645 17.548 -1.811 1.00 1.37 H new ATOM 0 HA2 GLY A 409 96.093 19.573 -0.702 1.00 1.51 H new ATOM 0 HA3 GLY A 409 94.382 19.227 -0.854 1.00 1.51 H new ATOM 1462 N GLY A 410 96.071 17.051 0.890 1.00 1.39 N ATOM 1463 CA GLY A 410 96.131 16.376 2.218 1.00 1.72 C ATOM 1464 C GLY A 410 97.358 16.867 2.987 1.00 1.26 C ATOM 1465 O GLY A 410 98.073 17.742 2.539 1.00 1.69 O ATOM 0 H GLY A 410 96.614 16.603 0.152 1.00 1.39 H new ATOM 0 HA2 GLY A 410 95.225 16.587 2.786 1.00 1.72 H new ATOM 0 HA3 GLY A 410 96.180 15.295 2.086 1.00 1.72 H new ATOM 1469 N HIS A 411 97.647 16.265 4.108 1.00 0.88 N ATOM 1470 CA HIS A 411 98.874 16.648 4.863 1.00 1.32 C ATOM 1471 C HIS A 411 99.585 15.398 5.388 1.00 1.27 C ATOM 1472 O HIS A 411 98.960 14.418 5.742 1.00 1.52 O ATOM 1473 CB HIS A 411 98.376 17.512 6.023 1.00 1.83 C ATOM 1474 CG HIS A 411 97.769 18.777 5.482 1.00 2.66 C ATOM 1475 ND1 HIS A 411 96.416 18.887 5.204 1.00 3.39 N ATOM 1476 CD2 HIS A 411 98.318 19.994 5.163 1.00 3.34 C ATOM 1477 CE1 HIS A 411 96.198 20.131 4.740 1.00 4.16 C ATOM 1478 NE2 HIS A 411 97.324 20.847 4.694 1.00 4.13 N ATOM 0 H HIS A 411 97.088 15.526 4.533 1.00 0.88 H new ATOM 0 HA HIS A 411 99.591 17.181 4.239 1.00 1.32 H new ATOM 0 HB2 HIS A 411 97.638 16.963 6.608 1.00 1.83 H new ATOM 0 HB3 HIS A 411 99.202 17.750 6.694 1.00 1.83 H new ATOM 0 HD2 HIS A 411 99.363 20.250 5.261 1.00 3.34 H new ATOM 0 HE1 HIS A 411 95.230 20.505 4.441 1.00 4.16 H new ATOM 0 HE2 HIS A 411 97.432 21.812 4.382 1.00 4.13 H new ATOM 1486 N PHE A 412 100.889 15.428 5.448 1.00 1.04 N ATOM 1487 CA PHE A 412 101.644 14.247 5.957 1.00 1.06 C ATOM 1488 C PHE A 412 101.791 14.334 7.482 1.00 1.03 C ATOM 1489 O PHE A 412 102.445 15.222 7.991 1.00 1.05 O ATOM 1490 CB PHE A 412 103.009 14.339 5.276 1.00 1.03 C ATOM 1491 CG PHE A 412 103.583 12.956 5.090 1.00 1.36 C ATOM 1492 CD1 PHE A 412 104.049 12.233 6.196 1.00 1.73 C ATOM 1493 CD2 PHE A 412 103.654 12.396 3.807 1.00 1.90 C ATOM 1494 CE1 PHE A 412 104.586 10.950 6.020 1.00 2.70 C ATOM 1495 CE2 PHE A 412 104.189 11.114 3.629 1.00 2.91 C ATOM 1496 CZ PHE A 412 104.656 10.390 4.736 1.00 3.31 C ATOM 0 H PHE A 412 101.465 16.221 5.166 1.00 1.04 H new ATOM 0 HA PHE A 412 101.143 13.303 5.742 1.00 1.06 H new ATOM 0 HB2 PHE A 412 102.911 14.835 4.310 1.00 1.03 H new ATOM 0 HB3 PHE A 412 103.686 14.945 5.878 1.00 1.03 H new ATOM 0 HD1 PHE A 412 103.994 12.664 7.185 1.00 1.73 H new ATOM 0 HD2 PHE A 412 103.296 12.954 2.955 1.00 1.90 H new ATOM 0 HE1 PHE A 412 104.946 10.393 6.873 1.00 2.70 H new ATOM 0 HE2 PHE A 412 104.242 10.683 2.640 1.00 2.91 H new ATOM 0 HZ PHE A 412 105.069 9.402 4.600 1.00 3.31 H new ATOM 1506 N PRO A 413 101.132 13.432 8.163 1.00 1.03 N ATOM 1507 CA PRO A 413 101.143 13.438 9.650 1.00 1.06 C ATOM 1508 C PRO A 413 102.573 13.287 10.179 1.00 0.96 C ATOM 1509 O PRO A 413 103.379 12.571 9.621 1.00 0.88 O ATOM 1510 CB PRO A 413 100.295 12.224 10.035 1.00 1.16 C ATOM 1511 CG PRO A 413 99.528 11.858 8.801 1.00 1.23 C ATOM 1512 CD PRO A 413 100.327 12.337 7.620 1.00 1.05 C ATOM 0 HA PRO A 413 100.757 14.368 10.068 1.00 1.06 H new ATOM 0 HB2 PRO A 413 100.923 11.397 10.366 1.00 1.16 H new ATOM 0 HB3 PRO A 413 99.622 12.462 10.858 1.00 1.16 H new ATOM 0 HG2 PRO A 413 99.374 10.780 8.749 1.00 1.23 H new ATOM 0 HG3 PRO A 413 98.541 12.321 8.810 1.00 1.23 H new ATOM 0 HD2 PRO A 413 100.954 11.544 7.213 1.00 1.05 H new ATOM 0 HD3 PRO A 413 99.680 12.679 6.812 1.00 1.05 H new ATOM 1520 N THR A 414 102.898 13.979 11.238 1.00 1.01 N ATOM 1521 CA THR A 414 104.284 13.898 11.784 1.00 0.97 C ATOM 1522 C THR A 414 104.611 12.459 12.200 1.00 0.92 C ATOM 1523 O THR A 414 105.693 11.968 11.963 1.00 0.84 O ATOM 1524 CB THR A 414 104.290 14.836 12.999 1.00 1.09 C ATOM 1525 OG1 THR A 414 105.628 15.208 13.298 1.00 1.63 O ATOM 1526 CG2 THR A 414 103.674 14.136 14.215 1.00 1.75 C ATOM 0 H THR A 414 102.265 14.596 11.748 1.00 1.01 H new ATOM 0 HA THR A 414 105.035 14.186 11.049 1.00 0.97 H new ATOM 0 HB THR A 414 103.700 15.723 12.765 1.00 1.09 H new ATOM 0 HG1 THR A 414 105.635 15.808 14.072 1.00 1.63 H new ATOM 0 HG21 THR A 414 103.685 14.813 15.069 1.00 1.75 H new ATOM 0 HG22 THR A 414 102.646 13.853 13.990 1.00 1.75 H new ATOM 0 HG23 THR A 414 104.252 13.243 14.453 1.00 1.75 H new ATOM 1534 N ASP A 415 103.702 11.797 12.861 1.00 0.99 N ATOM 1535 CA ASP A 415 103.991 10.412 13.336 1.00 0.97 C ATOM 1536 C ASP A 415 104.398 9.524 12.158 1.00 0.83 C ATOM 1537 O ASP A 415 105.280 8.703 12.264 1.00 0.84 O ATOM 1538 CB ASP A 415 102.683 9.919 13.953 1.00 1.08 C ATOM 1539 CG ASP A 415 102.940 8.626 14.729 1.00 1.27 C ATOM 1540 OD1 ASP A 415 104.094 8.247 14.844 1.00 1.80 O ATOM 1541 OD2 ASP A 415 101.978 8.037 15.196 1.00 1.87 O ATOM 0 H ASP A 415 102.774 12.152 13.093 1.00 0.99 H new ATOM 0 HA ASP A 415 104.812 10.386 14.053 1.00 0.97 H new ATOM 0 HB2 ASP A 415 102.273 10.679 14.618 1.00 1.08 H new ATOM 0 HB3 ASP A 415 101.943 9.746 13.172 1.00 1.08 H new ATOM 1546 N VAL A 416 103.800 9.706 11.020 1.00 0.71 N ATOM 1547 CA VAL A 416 104.219 8.898 9.845 1.00 0.60 C ATOM 1548 C VAL A 416 105.611 9.328 9.376 1.00 0.51 C ATOM 1549 O VAL A 416 106.429 8.512 9.007 1.00 0.46 O ATOM 1550 CB VAL A 416 103.166 9.188 8.779 1.00 0.58 C ATOM 1551 CG1 VAL A 416 103.595 8.568 7.446 1.00 0.51 C ATOM 1552 CG2 VAL A 416 101.828 8.584 9.211 1.00 0.71 C ATOM 0 H VAL A 416 103.046 10.372 10.851 1.00 0.71 H new ATOM 0 HA VAL A 416 104.284 7.833 10.070 1.00 0.60 H new ATOM 0 HB VAL A 416 103.062 10.266 8.659 1.00 0.58 H new ATOM 0 HG11 VAL A 416 102.840 8.777 6.688 1.00 0.51 H new ATOM 0 HG12 VAL A 416 104.549 8.995 7.136 1.00 0.51 H new ATOM 0 HG13 VAL A 416 103.701 7.490 7.564 1.00 0.51 H new ATOM 0 HG21 VAL A 416 101.074 8.790 8.451 1.00 0.71 H new ATOM 0 HG22 VAL A 416 101.937 7.506 9.331 1.00 0.71 H new ATOM 0 HG23 VAL A 416 101.519 9.025 10.158 1.00 0.71 H new ATOM 1562 N ASP A 417 105.915 10.595 9.449 1.00 0.53 N ATOM 1563 CA ASP A 417 107.285 11.047 9.072 1.00 0.53 C ATOM 1564 C ASP A 417 108.328 10.437 10.015 1.00 0.58 C ATOM 1565 O ASP A 417 109.361 9.963 9.589 1.00 0.60 O ATOM 1566 CB ASP A 417 107.255 12.570 9.211 1.00 0.61 C ATOM 1567 CG ASP A 417 108.543 13.162 8.637 1.00 1.03 C ATOM 1568 OD1 ASP A 417 109.324 12.404 8.084 1.00 1.81 O ATOM 1569 OD2 ASP A 417 108.728 14.361 8.760 1.00 1.15 O ATOM 0 H ASP A 417 105.279 11.333 9.751 1.00 0.53 H new ATOM 0 HA ASP A 417 107.556 10.737 8.063 1.00 0.53 H new ATOM 0 HB2 ASP A 417 106.390 12.976 8.686 1.00 0.61 H new ATOM 0 HB3 ASP A 417 107.151 12.848 10.260 1.00 0.61 H new ATOM 1574 N GLN A 418 108.056 10.416 11.291 1.00 0.62 N ATOM 1575 CA GLN A 418 109.026 9.806 12.243 1.00 0.68 C ATOM 1576 C GLN A 418 109.108 8.289 12.034 1.00 0.69 C ATOM 1577 O GLN A 418 110.174 7.716 12.085 1.00 0.81 O ATOM 1578 CB GLN A 418 108.503 10.154 13.643 1.00 0.73 C ATOM 1579 CG GLN A 418 107.091 9.608 13.827 1.00 1.31 C ATOM 1580 CD GLN A 418 106.674 9.754 15.291 1.00 1.86 C ATOM 1581 OE1 GLN A 418 106.230 10.806 15.706 1.00 1.96 O ATOM 1582 NE2 GLN A 418 106.796 8.735 16.096 1.00 2.60 N ATOM 0 H GLN A 418 107.208 10.793 11.714 1.00 0.62 H new ATOM 0 HA GLN A 418 110.037 10.186 12.095 1.00 0.68 H new ATOM 0 HB2 GLN A 418 109.165 9.735 14.401 1.00 0.73 H new ATOM 0 HB3 GLN A 418 108.504 11.235 13.781 1.00 0.73 H new ATOM 0 HG2 GLN A 418 106.395 10.147 13.184 1.00 1.31 H new ATOM 0 HG3 GLN A 418 107.053 8.560 13.530 1.00 1.31 H new ATOM 0 HE21 GLN A 418 107.169 7.852 15.748 1.00 2.60 H new ATOM 0 HE22 GLN A 418 106.519 8.821 17.074 1.00 2.60 H new ATOM 1591 N LYS A 419 108.015 7.634 11.740 1.00 0.61 N ATOM 1592 CA LYS A 419 108.097 6.168 11.468 1.00 0.63 C ATOM 1593 C LYS A 419 108.962 5.891 10.231 1.00 0.62 C ATOM 1594 O LYS A 419 109.738 4.960 10.204 1.00 0.71 O ATOM 1595 CB LYS A 419 106.654 5.723 11.226 1.00 0.57 C ATOM 1596 CG LYS A 419 105.876 5.776 12.542 1.00 0.81 C ATOM 1597 CD LYS A 419 104.451 5.268 12.315 1.00 0.93 C ATOM 1598 CE LYS A 419 103.645 5.414 13.608 1.00 1.33 C ATOM 1599 NZ LYS A 419 103.663 4.060 14.228 1.00 2.49 N ATOM 0 H LYS A 419 107.083 8.043 11.677 1.00 0.61 H new ATOM 0 HA LYS A 419 108.557 5.628 12.296 1.00 0.63 H new ATOM 0 HB2 LYS A 419 106.182 6.369 10.486 1.00 0.57 H new ATOM 0 HB3 LYS A 419 106.637 4.711 10.822 1.00 0.57 H new ATOM 0 HG2 LYS A 419 106.375 5.167 13.296 1.00 0.81 H new ATOM 0 HG3 LYS A 419 105.853 6.797 12.922 1.00 0.81 H new ATOM 0 HD2 LYS A 419 103.976 5.832 11.512 1.00 0.93 H new ATOM 0 HD3 LYS A 419 104.471 4.224 12.002 1.00 0.93 H new ATOM 0 HE2 LYS A 419 104.091 6.157 14.269 1.00 1.33 H new ATOM 0 HE3 LYS A 419 102.626 5.741 13.403 1.00 1.33 H new ATOM 0 HZ1 LYS A 419 103.493 4.144 15.250 1.00 2.49 H new ATOM 0 HZ2 LYS A 419 102.919 3.472 13.800 1.00 2.49 H new ATOM 0 HZ3 LYS A 419 104.590 3.617 14.067 1.00 2.49 H new ATOM 1613 N VAL A 420 108.858 6.708 9.220 1.00 0.56 N ATOM 1614 CA VAL A 420 109.690 6.504 7.994 1.00 0.62 C ATOM 1615 C VAL A 420 111.170 6.718 8.315 1.00 0.71 C ATOM 1616 O VAL A 420 112.037 6.034 7.811 1.00 0.79 O ATOM 1617 CB VAL A 420 109.205 7.572 7.018 1.00 0.60 C ATOM 1618 CG1 VAL A 420 110.098 7.575 5.777 1.00 0.70 C ATOM 1619 CG2 VAL A 420 107.763 7.274 6.607 1.00 0.59 C ATOM 0 H VAL A 420 108.231 7.512 9.187 1.00 0.56 H new ATOM 0 HA VAL A 420 109.593 5.496 7.591 1.00 0.62 H new ATOM 0 HB VAL A 420 109.250 8.548 7.500 1.00 0.60 H new ATOM 0 HG11 VAL A 420 109.751 8.338 5.081 1.00 0.70 H new ATOM 0 HG12 VAL A 420 111.126 7.791 6.069 1.00 0.70 H new ATOM 0 HG13 VAL A 420 110.055 6.598 5.296 1.00 0.70 H new ATOM 0 HG21 VAL A 420 107.418 8.038 5.910 1.00 0.59 H new ATOM 0 HG22 VAL A 420 107.716 6.297 6.127 1.00 0.59 H new ATOM 0 HG23 VAL A 420 107.125 7.275 7.491 1.00 0.59 H new ATOM 1629 N ASP A 421 111.455 7.698 9.116 1.00 0.72 N ATOM 1630 CA ASP A 421 112.872 8.014 9.451 1.00 0.84 C ATOM 1631 C ASP A 421 113.482 6.909 10.315 1.00 0.91 C ATOM 1632 O ASP A 421 114.581 6.451 10.071 1.00 1.00 O ATOM 1633 CB ASP A 421 112.790 9.325 10.225 1.00 0.88 C ATOM 1634 CG ASP A 421 112.462 10.468 9.262 1.00 1.14 C ATOM 1635 OD1 ASP A 421 112.477 10.230 8.066 1.00 2.05 O ATOM 1636 OD2 ASP A 421 112.203 11.560 9.738 1.00 1.25 O ATOM 0 H ASP A 421 110.763 8.302 9.560 1.00 0.72 H new ATOM 0 HA ASP A 421 113.504 8.092 8.567 1.00 0.84 H new ATOM 0 HB2 ASP A 421 112.025 9.256 10.998 1.00 0.88 H new ATOM 0 HB3 ASP A 421 113.736 9.521 10.730 1.00 0.88 H new ATOM 1641 N GLN A 422 112.752 6.433 11.282 1.00 0.89 N ATOM 1642 CA GLN A 422 113.257 5.306 12.116 1.00 0.98 C ATOM 1643 C GLN A 422 113.399 4.050 11.256 1.00 0.98 C ATOM 1644 O GLN A 422 114.337 3.294 11.397 1.00 1.07 O ATOM 1645 CB GLN A 422 112.197 5.113 13.201 1.00 0.99 C ATOM 1646 CG GLN A 422 112.057 6.406 14.010 1.00 1.32 C ATOM 1647 CD GLN A 422 113.393 6.740 14.676 1.00 1.77 C ATOM 1648 OE1 GLN A 422 113.995 5.898 15.310 1.00 2.33 O ATOM 1649 NE2 GLN A 422 113.884 7.943 14.557 1.00 2.33 N ATOM 0 H GLN A 422 111.825 6.776 11.533 1.00 0.89 H new ATOM 0 HA GLN A 422 114.238 5.506 12.547 1.00 0.98 H new ATOM 0 HB2 GLN A 422 111.241 4.849 12.748 1.00 0.99 H new ATOM 0 HB3 GLN A 422 112.478 4.289 13.857 1.00 0.99 H new ATOM 0 HG2 GLN A 422 111.749 7.224 13.358 1.00 1.32 H new ATOM 0 HG3 GLN A 422 111.280 6.292 14.766 1.00 1.32 H new ATOM 0 HE21 GLN A 422 113.378 8.650 14.024 1.00 2.33 H new ATOM 0 HE22 GLN A 422 114.774 8.176 14.997 1.00 2.33 H new ATOM 1658 N VAL A 423 112.562 3.906 10.269 1.00 0.91 N ATOM 1659 CA VAL A 423 112.747 2.800 9.296 1.00 0.94 C ATOM 1660 C VAL A 423 114.094 2.955 8.585 1.00 0.96 C ATOM 1661 O VAL A 423 114.830 2.004 8.413 1.00 1.00 O ATOM 1662 CB VAL A 423 111.597 2.978 8.312 1.00 0.92 C ATOM 1663 CG1 VAL A 423 111.742 1.989 7.157 1.00 0.95 C ATOM 1664 CG2 VAL A 423 110.267 2.742 9.030 1.00 0.99 C ATOM 0 H VAL A 423 111.757 4.508 10.095 1.00 0.91 H new ATOM 0 HA VAL A 423 112.746 1.814 9.761 1.00 0.94 H new ATOM 0 HB VAL A 423 111.619 3.993 7.915 1.00 0.92 H new ATOM 0 HG11 VAL A 423 110.916 2.122 6.458 1.00 0.95 H new ATOM 0 HG12 VAL A 423 112.686 2.167 6.642 1.00 0.95 H new ATOM 0 HG13 VAL A 423 111.727 0.971 7.546 1.00 0.95 H new ATOM 0 HG21 VAL A 423 109.445 2.870 8.325 1.00 0.99 H new ATOM 0 HG22 VAL A 423 110.246 1.729 9.433 1.00 0.99 H new ATOM 0 HG23 VAL A 423 110.161 3.459 9.844 1.00 0.99 H new ATOM 1674 N ALA A 424 114.430 4.154 8.191 1.00 0.98 N ATOM 1675 CA ALA A 424 115.739 4.381 7.514 1.00 1.07 C ATOM 1676 C ALA A 424 116.888 4.254 8.516 1.00 1.17 C ATOM 1677 O ALA A 424 117.847 3.543 8.290 1.00 1.24 O ATOM 1678 CB ALA A 424 115.661 5.811 6.987 1.00 1.09 C ATOM 0 H ALA A 424 113.853 4.987 8.309 1.00 0.98 H new ATOM 0 HA ALA A 424 115.923 3.654 6.723 1.00 1.07 H new ATOM 0 HB1 ALA A 424 116.589 6.060 6.472 1.00 1.09 H new ATOM 0 HB2 ALA A 424 114.826 5.898 6.292 1.00 1.09 H new ATOM 0 HB3 ALA A 424 115.512 6.498 7.820 1.00 1.09 H new ATOM 1684 N ARG A 425 116.800 4.948 9.617 1.00 1.23 N ATOM 1685 CA ARG A 425 117.892 4.880 10.630 1.00 1.39 C ATOM 1686 C ARG A 425 118.141 3.427 11.032 1.00 1.38 C ATOM 1687 O ARG A 425 119.199 3.078 11.516 1.00 1.53 O ATOM 1688 CB ARG A 425 117.379 5.690 11.821 1.00 1.57 C ATOM 1689 CG ARG A 425 117.208 7.153 11.409 1.00 2.17 C ATOM 1690 CD ARG A 425 116.774 7.978 12.623 1.00 2.43 C ATOM 1691 NE ARG A 425 117.966 8.006 13.515 1.00 2.68 N ATOM 1692 CZ ARG A 425 117.975 8.764 14.579 1.00 3.44 C ATOM 1693 NH1 ARG A 425 116.937 9.502 14.869 1.00 4.11 N ATOM 1694 NH2 ARG A 425 119.023 8.783 15.355 1.00 3.73 N ATOM 0 H ARG A 425 116.020 5.559 9.859 1.00 1.23 H new ATOM 0 HA ARG A 425 118.836 5.272 10.252 1.00 1.39 H new ATOM 0 HB2 ARG A 425 116.428 5.285 12.167 1.00 1.57 H new ATOM 0 HB3 ARG A 425 118.079 5.615 12.653 1.00 1.57 H new ATOM 0 HG2 ARG A 425 118.145 7.541 11.008 1.00 2.17 H new ATOM 0 HG3 ARG A 425 116.464 7.234 10.616 1.00 2.17 H new ATOM 0 HD2 ARG A 425 116.476 8.985 12.330 1.00 2.43 H new ATOM 0 HD3 ARG A 425 115.918 7.525 13.123 1.00 2.43 H new ATOM 0 HE ARG A 425 118.779 7.431 13.294 1.00 2.68 H new ATOM 0 HH11 ARG A 425 116.116 9.488 14.264 1.00 4.11 H new ATOM 0 HH12 ARG A 425 116.947 10.093 15.701 1.00 4.11 H new ATOM 0 HH21 ARG A 425 119.834 8.207 15.131 1.00 3.73 H new ATOM 0 HH22 ARG A 425 119.032 9.374 16.186 1.00 3.73 H new ATOM 1708 N GLN A 426 117.176 2.574 10.823 1.00 1.26 N ATOM 1709 CA GLN A 426 117.366 1.136 11.181 1.00 1.33 C ATOM 1710 C GLN A 426 117.916 0.349 9.989 1.00 1.26 C ATOM 1711 O GLN A 426 118.128 -0.844 10.066 1.00 1.33 O ATOM 1712 CB GLN A 426 115.977 0.636 11.571 1.00 1.34 C ATOM 1713 CG GLN A 426 115.547 1.317 12.869 1.00 1.95 C ATOM 1714 CD GLN A 426 114.096 0.953 13.184 1.00 2.42 C ATOM 1715 OE1 GLN A 426 113.375 0.482 12.326 1.00 2.68 O ATOM 1716 NE2 GLN A 426 113.632 1.152 14.388 1.00 2.92 N ATOM 0 H GLN A 426 116.268 2.807 10.422 1.00 1.26 H new ATOM 0 HA GLN A 426 118.085 1.008 11.990 1.00 1.33 H new ATOM 0 HB2 GLN A 426 115.262 0.854 10.777 1.00 1.34 H new ATOM 0 HB3 GLN A 426 115.989 -0.446 11.700 1.00 1.34 H new ATOM 0 HG2 GLN A 426 116.196 1.005 13.687 1.00 1.95 H new ATOM 0 HG3 GLN A 426 115.649 2.398 12.775 1.00 1.95 H new ATOM 0 HE21 GLN A 426 114.236 1.547 15.109 1.00 2.92 H new ATOM 0 HE22 GLN A 426 112.665 0.912 14.608 1.00 2.92 H new ATOM 1725 N GLY A 427 118.236 1.022 8.920 1.00 1.16 N ATOM 1726 CA GLY A 427 118.874 0.325 7.764 1.00 1.14 C ATOM 1727 C GLY A 427 117.794 -0.196 6.812 1.00 1.07 C ATOM 1728 O GLY A 427 118.079 -0.895 5.859 1.00 1.11 O ATOM 0 H GLY A 427 118.085 2.023 8.795 1.00 1.16 H new ATOM 0 HA2 GLY A 427 119.538 1.010 7.236 1.00 1.14 H new ATOM 0 HA3 GLY A 427 119.488 -0.502 8.120 1.00 1.14 H new ATOM 1732 N ALA A 428 116.566 0.177 7.034 1.00 1.07 N ATOM 1733 CA ALA A 428 115.475 -0.252 6.113 1.00 1.00 C ATOM 1734 C ALA A 428 115.084 0.906 5.196 1.00 0.94 C ATOM 1735 O ALA A 428 115.190 2.057 5.563 1.00 0.97 O ATOM 1736 CB ALA A 428 114.309 -0.627 7.029 1.00 1.04 C ATOM 0 H ALA A 428 116.269 0.762 7.815 1.00 1.07 H new ATOM 0 HA ALA A 428 115.772 -1.083 5.473 1.00 1.00 H new ATOM 0 HB1 ALA A 428 113.463 -0.955 6.425 1.00 1.04 H new ATOM 0 HB2 ALA A 428 114.614 -1.434 7.695 1.00 1.04 H new ATOM 0 HB3 ALA A 428 114.018 0.241 7.621 1.00 1.04 H new ATOM 1742 N THR A 429 114.536 0.608 4.053 1.00 0.92 N ATOM 1743 CA THR A 429 114.026 1.700 3.175 1.00 0.88 C ATOM 1744 C THR A 429 112.546 1.923 3.464 1.00 0.65 C ATOM 1745 O THR A 429 111.727 1.074 3.178 1.00 0.62 O ATOM 1746 CB THR A 429 114.216 1.199 1.741 1.00 1.00 C ATOM 1747 OG1 THR A 429 115.585 1.314 1.379 1.00 1.21 O ATOM 1748 CG2 THR A 429 113.359 2.039 0.784 1.00 1.00 C ATOM 0 H THR A 429 114.419 -0.337 3.689 1.00 0.92 H new ATOM 0 HA THR A 429 114.547 2.643 3.339 1.00 0.88 H new ATOM 0 HB THR A 429 113.909 0.155 1.677 1.00 1.00 H new ATOM 0 HG1 THR A 429 115.709 0.992 0.462 1.00 1.21 H new ATOM 0 HG21 THR A 429 113.496 1.681 -0.236 1.00 1.00 H new ATOM 0 HG22 THR A 429 112.309 1.950 1.062 1.00 1.00 H new ATOM 0 HG23 THR A 429 113.663 3.084 0.845 1.00 1.00 H new ATOM 1756 N PRO A 430 112.258 3.038 4.072 1.00 0.70 N ATOM 1757 CA PRO A 430 110.869 3.352 4.454 1.00 0.55 C ATOM 1758 C PRO A 430 110.076 3.808 3.230 1.00 0.54 C ATOM 1759 O PRO A 430 110.143 4.955 2.836 1.00 0.68 O ATOM 1760 CB PRO A 430 111.006 4.500 5.459 1.00 0.81 C ATOM 1761 CG PRO A 430 112.479 4.751 5.622 1.00 1.20 C ATOM 1762 CD PRO A 430 113.180 4.096 4.464 1.00 1.04 C ATOM 0 HA PRO A 430 110.342 2.493 4.870 1.00 0.55 H new ATOM 0 HB2 PRO A 430 110.498 5.394 5.098 1.00 0.81 H new ATOM 0 HB3 PRO A 430 110.549 4.237 6.413 1.00 0.81 H new ATOM 0 HG2 PRO A 430 112.686 5.821 5.640 1.00 1.20 H new ATOM 0 HG3 PRO A 430 112.835 4.342 6.567 1.00 1.20 H new ATOM 0 HD2 PRO A 430 113.356 4.799 3.650 1.00 1.04 H new ATOM 0 HD3 PRO A 430 114.151 3.696 4.755 1.00 1.04 H new ATOM 1770 N LEU A 431 109.133 3.016 2.813 1.00 0.47 N ATOM 1771 CA LEU A 431 108.129 3.528 1.848 1.00 0.56 C ATOM 1772 C LEU A 431 106.964 4.115 2.634 1.00 0.54 C ATOM 1773 O LEU A 431 106.740 3.760 3.770 1.00 0.59 O ATOM 1774 CB LEU A 431 107.655 2.317 1.043 1.00 0.59 C ATOM 1775 CG LEU A 431 108.821 1.697 0.279 1.00 0.59 C ATOM 1776 CD1 LEU A 431 108.303 0.522 -0.550 1.00 1.14 C ATOM 1777 CD2 LEU A 431 109.432 2.742 -0.658 1.00 1.40 C ATOM 0 H LEU A 431 109.015 2.043 3.096 1.00 0.47 H new ATOM 0 HA LEU A 431 108.537 4.298 1.192 1.00 0.56 H new ATOM 0 HB2 LEU A 431 107.216 1.577 1.712 1.00 0.59 H new ATOM 0 HB3 LEU A 431 106.874 2.619 0.345 1.00 0.59 H new ATOM 0 HG LEU A 431 109.579 1.352 0.983 1.00 0.59 H new ATOM 0 HD11 LEU A 431 109.130 0.072 -1.100 1.00 1.14 H new ATOM 0 HD12 LEU A 431 107.859 -0.222 0.111 1.00 1.14 H new ATOM 0 HD13 LEU A 431 107.550 0.877 -1.253 1.00 1.14 H new ATOM 0 HD21 LEU A 431 110.265 2.299 -1.204 1.00 1.40 H new ATOM 0 HD22 LEU A 431 108.676 3.083 -1.365 1.00 1.40 H new ATOM 0 HD23 LEU A 431 109.791 3.589 -0.074 1.00 1.40 H new ATOM 1789 N VAL A 432 106.165 4.932 2.027 1.00 0.49 N ATOM 1790 CA VAL A 432 104.961 5.427 2.746 1.00 0.48 C ATOM 1791 C VAL A 432 103.704 5.151 1.921 1.00 0.48 C ATOM 1792 O VAL A 432 103.699 5.283 0.713 1.00 0.52 O ATOM 1793 CB VAL A 432 105.186 6.927 2.923 1.00 0.43 C ATOM 1794 CG1 VAL A 432 103.990 7.543 3.651 1.00 0.45 C ATOM 1795 CG2 VAL A 432 106.455 7.157 3.746 1.00 0.51 C ATOM 0 H VAL A 432 106.286 5.279 1.075 1.00 0.49 H new ATOM 0 HA VAL A 432 104.819 4.931 3.706 1.00 0.48 H new ATOM 0 HB VAL A 432 105.295 7.395 1.944 1.00 0.43 H new ATOM 0 HG11 VAL A 432 104.152 8.614 3.776 1.00 0.45 H new ATOM 0 HG12 VAL A 432 103.085 7.379 3.067 1.00 0.45 H new ATOM 0 HG13 VAL A 432 103.880 7.076 4.630 1.00 0.45 H new ATOM 0 HG21 VAL A 432 106.617 8.227 3.873 1.00 0.51 H new ATOM 0 HG22 VAL A 432 106.345 6.688 4.724 1.00 0.51 H new ATOM 0 HG23 VAL A 432 107.309 6.720 3.228 1.00 0.51 H new ATOM 1805 N VAL A 433 102.652 4.733 2.569 1.00 0.44 N ATOM 1806 CA VAL A 433 101.395 4.406 1.842 1.00 0.45 C ATOM 1807 C VAL A 433 100.271 5.320 2.326 1.00 0.37 C ATOM 1808 O VAL A 433 100.099 5.526 3.512 1.00 0.37 O ATOM 1809 CB VAL A 433 101.092 2.953 2.210 1.00 0.56 C ATOM 1810 CG1 VAL A 433 99.919 2.443 1.368 1.00 0.59 C ATOM 1811 CG2 VAL A 433 102.325 2.088 1.938 1.00 1.08 C ATOM 0 H VAL A 433 102.610 4.603 3.580 1.00 0.44 H new ATOM 0 HA VAL A 433 101.487 4.542 0.764 1.00 0.45 H new ATOM 0 HB VAL A 433 100.832 2.896 3.267 1.00 0.56 H new ATOM 0 HG11 VAL A 433 99.705 1.407 1.632 1.00 0.59 H new ATOM 0 HG12 VAL A 433 99.039 3.056 1.561 1.00 0.59 H new ATOM 0 HG13 VAL A 433 100.177 2.502 0.311 1.00 0.59 H new ATOM 0 HG21 VAL A 433 102.108 1.053 2.201 1.00 1.08 H new ATOM 0 HG22 VAL A 433 102.585 2.147 0.881 1.00 1.08 H new ATOM 0 HG23 VAL A 433 103.161 2.447 2.538 1.00 1.08 H new ATOM 1821 N VAL A 434 99.462 5.806 1.427 1.00 0.43 N ATOM 1822 CA VAL A 434 98.300 6.632 1.852 1.00 0.43 C ATOM 1823 C VAL A 434 97.021 6.149 1.181 1.00 0.48 C ATOM 1824 O VAL A 434 97.028 5.674 0.064 1.00 0.90 O ATOM 1825 CB VAL A 434 98.617 8.065 1.414 1.00 0.53 C ATOM 1826 CG1 VAL A 434 100.074 8.390 1.736 1.00 0.70 C ATOM 1827 CG2 VAL A 434 98.376 8.219 -0.091 1.00 0.49 C ATOM 0 H VAL A 434 99.555 5.667 0.421 1.00 0.43 H new ATOM 0 HA VAL A 434 98.142 6.565 2.928 1.00 0.43 H new ATOM 0 HB VAL A 434 97.965 8.753 1.951 1.00 0.53 H new ATOM 0 HG11 VAL A 434 100.297 9.410 1.423 1.00 0.70 H new ATOM 0 HG12 VAL A 434 100.239 8.295 2.809 1.00 0.70 H new ATOM 0 HG13 VAL A 434 100.727 7.697 1.206 1.00 0.70 H new ATOM 0 HG21 VAL A 434 98.604 9.241 -0.393 1.00 0.49 H new ATOM 0 HG22 VAL A 434 99.019 7.528 -0.635 1.00 0.49 H new ATOM 0 HG23 VAL A 434 97.333 7.998 -0.317 1.00 0.49 H new ATOM 1837 N GLU A 435 95.917 6.409 1.805 1.00 0.61 N ATOM 1838 CA GLU A 435 94.609 6.130 1.159 1.00 0.60 C ATOM 1839 C GLU A 435 94.014 7.440 0.661 1.00 0.62 C ATOM 1840 O GLU A 435 93.953 8.412 1.389 1.00 0.67 O ATOM 1841 CB GLU A 435 93.737 5.532 2.262 1.00 0.70 C ATOM 1842 CG GLU A 435 93.627 4.024 2.051 1.00 0.76 C ATOM 1843 CD GLU A 435 92.665 3.430 3.083 1.00 1.13 C ATOM 1844 OE1 GLU A 435 92.237 4.166 3.957 1.00 1.34 O ATOM 1845 OE2 GLU A 435 92.372 2.251 2.979 1.00 1.79 O ATOM 0 H GLU A 435 95.860 6.806 2.743 1.00 0.61 H new ATOM 0 HA GLU A 435 94.692 5.455 0.307 1.00 0.60 H new ATOM 0 HB2 GLU A 435 94.170 5.744 3.240 1.00 0.70 H new ATOM 0 HB3 GLU A 435 92.747 5.987 2.246 1.00 0.70 H new ATOM 0 HG2 GLU A 435 93.271 3.813 1.043 1.00 0.76 H new ATOM 0 HG3 GLU A 435 94.609 3.561 2.146 1.00 0.76 H new ATOM 1852 N GLY A 436 93.706 7.530 -0.595 1.00 0.61 N ATOM 1853 CA GLY A 436 93.275 8.846 -1.132 1.00 0.64 C ATOM 1854 C GLY A 436 94.408 9.855 -0.923 1.00 0.68 C ATOM 1855 O GLY A 436 95.418 9.816 -1.598 1.00 1.42 O ATOM 0 H GLY A 436 93.732 6.763 -1.267 1.00 0.61 H new ATOM 0 HA2 GLY A 436 93.035 8.762 -2.192 1.00 0.64 H new ATOM 0 HA3 GLY A 436 92.370 9.183 -0.626 1.00 0.64 H new ATOM 1859 N SER A 437 94.224 10.794 -0.034 1.00 0.84 N ATOM 1860 CA SER A 437 95.263 11.846 0.169 1.00 0.81 C ATOM 1861 C SER A 437 95.855 11.780 1.585 1.00 0.83 C ATOM 1862 O SER A 437 96.542 12.688 2.012 1.00 1.35 O ATOM 1863 CB SER A 437 94.522 13.166 -0.034 1.00 0.80 C ATOM 1864 OG SER A 437 93.826 13.501 1.158 1.00 1.42 O ATOM 0 H SER A 437 93.399 10.878 0.561 1.00 0.84 H new ATOM 0 HA SER A 437 96.100 11.724 -0.518 1.00 0.81 H new ATOM 0 HB2 SER A 437 95.227 13.956 -0.292 1.00 0.80 H new ATOM 0 HB3 SER A 437 93.822 13.080 -0.865 1.00 0.80 H new ATOM 0 HG SER A 437 93.351 14.349 1.032 1.00 1.42 H new ATOM 1870 N ARG A 438 95.567 10.749 2.338 1.00 0.53 N ATOM 1871 CA ARG A 438 96.091 10.695 3.736 1.00 0.62 C ATOM 1872 C ARG A 438 96.919 9.422 3.948 1.00 0.65 C ATOM 1873 O ARG A 438 96.602 8.368 3.432 1.00 0.69 O ATOM 1874 CB ARG A 438 94.847 10.687 4.621 1.00 0.78 C ATOM 1875 CG ARG A 438 94.221 9.295 4.611 1.00 1.34 C ATOM 1876 CD ARG A 438 92.800 9.372 5.167 1.00 1.53 C ATOM 1877 NE ARG A 438 92.347 7.957 5.268 1.00 2.25 N ATOM 1878 CZ ARG A 438 91.127 7.683 5.649 1.00 2.95 C ATOM 1879 NH1 ARG A 438 90.296 8.648 5.940 1.00 3.49 N ATOM 1880 NH2 ARG A 438 90.738 6.440 5.739 1.00 3.52 N ATOM 0 H ARG A 438 94.999 9.952 2.050 1.00 0.53 H new ATOM 0 HA ARG A 438 96.748 11.534 3.965 1.00 0.62 H new ATOM 0 HB2 ARG A 438 95.111 10.971 5.640 1.00 0.78 H new ATOM 0 HB3 ARG A 438 94.128 11.423 4.262 1.00 0.78 H new ATOM 0 HG2 ARG A 438 94.205 8.899 3.596 1.00 1.34 H new ATOM 0 HG3 ARG A 438 94.821 8.610 5.210 1.00 1.34 H new ATOM 0 HD2 ARG A 438 92.783 9.862 6.141 1.00 1.53 H new ATOM 0 HD3 ARG A 438 92.150 9.948 4.509 1.00 1.53 H new ATOM 0 HE ARG A 438 92.991 7.199 5.039 1.00 2.25 H new ATOM 0 HH11 ARG A 438 90.598 9.620 5.870 1.00 3.49 H new ATOM 0 HH12 ARG A 438 89.345 8.430 6.237 1.00 3.49 H new ATOM 0 HH21 ARG A 438 91.386 5.685 5.512 1.00 3.52 H new ATOM 0 HH22 ARG A 438 89.787 6.224 6.036 1.00 3.52 H new ATOM 1894 N VAL A 439 98.007 9.532 4.657 1.00 0.67 N ATOM 1895 CA VAL A 439 98.910 8.358 4.842 1.00 0.74 C ATOM 1896 C VAL A 439 98.310 7.356 5.829 1.00 0.93 C ATOM 1897 O VAL A 439 97.945 7.698 6.936 1.00 1.41 O ATOM 1898 CB VAL A 439 100.205 8.946 5.402 1.00 0.89 C ATOM 1899 CG1 VAL A 439 101.252 7.839 5.539 1.00 0.99 C ATOM 1900 CG2 VAL A 439 100.727 10.026 4.452 1.00 0.86 C ATOM 0 H VAL A 439 98.313 10.388 5.119 1.00 0.67 H new ATOM 0 HA VAL A 439 99.068 7.816 3.909 1.00 0.74 H new ATOM 0 HB VAL A 439 100.011 9.385 6.381 1.00 0.89 H new ATOM 0 HG11 VAL A 439 102.175 8.259 5.938 1.00 0.99 H new ATOM 0 HG12 VAL A 439 100.881 7.069 6.216 1.00 0.99 H new ATOM 0 HG13 VAL A 439 101.447 7.399 4.561 1.00 0.99 H new ATOM 0 HG21 VAL A 439 101.651 10.446 4.851 1.00 0.86 H new ATOM 0 HG22 VAL A 439 100.921 9.587 3.473 1.00 0.86 H new ATOM 0 HG23 VAL A 439 99.982 10.816 4.354 1.00 0.86 H new ATOM 1910 N LEU A 440 98.250 6.107 5.450 1.00 0.79 N ATOM 1911 CA LEU A 440 97.725 5.071 6.381 1.00 1.07 C ATOM 1912 C LEU A 440 98.860 4.488 7.230 1.00 0.74 C ATOM 1913 O LEU A 440 98.651 4.088 8.357 1.00 0.88 O ATOM 1914 CB LEU A 440 97.102 3.994 5.489 1.00 1.60 C ATOM 1915 CG LEU A 440 98.107 3.542 4.430 1.00 1.48 C ATOM 1916 CD1 LEU A 440 98.332 2.038 4.554 1.00 1.79 C ATOM 1917 CD2 LEU A 440 97.554 3.859 3.040 1.00 1.57 C ATOM 0 H LEU A 440 98.542 5.761 4.536 1.00 0.79 H new ATOM 0 HA LEU A 440 96.995 5.484 7.077 1.00 1.07 H new ATOM 0 HB2 LEU A 440 96.794 3.142 6.095 1.00 1.60 H new ATOM 0 HB3 LEU A 440 96.205 4.384 5.007 1.00 1.60 H new ATOM 0 HG LEU A 440 99.052 4.065 4.576 1.00 1.48 H new ATOM 0 HD11 LEU A 440 99.049 1.714 3.799 1.00 1.79 H new ATOM 0 HD12 LEU A 440 98.721 1.809 5.546 1.00 1.79 H new ATOM 0 HD13 LEU A 440 97.387 1.515 4.405 1.00 1.79 H new ATOM 0 HD21 LEU A 440 98.269 3.538 2.282 1.00 1.57 H new ATOM 0 HD22 LEU A 440 96.610 3.333 2.895 1.00 1.57 H new ATOM 0 HD23 LEU A 440 97.388 4.933 2.951 1.00 1.57 H new ATOM 1929 N GLY A 441 100.066 4.454 6.716 1.00 0.64 N ATOM 1930 CA GLY A 441 101.193 3.918 7.536 1.00 1.02 C ATOM 1931 C GLY A 441 102.498 3.906 6.733 1.00 0.82 C ATOM 1932 O GLY A 441 102.557 4.368 5.613 1.00 0.96 O ATOM 0 H GLY A 441 100.315 4.769 5.778 1.00 0.64 H new ATOM 0 HA2 GLY A 441 101.318 4.527 8.431 1.00 1.02 H new ATOM 0 HA3 GLY A 441 100.957 2.907 7.869 1.00 1.02 H new ATOM 1936 N VAL A 442 103.557 3.418 7.328 1.00 0.56 N ATOM 1937 CA VAL A 442 104.884 3.416 6.643 1.00 0.44 C ATOM 1938 C VAL A 442 105.423 1.983 6.548 1.00 0.41 C ATOM 1939 O VAL A 442 105.068 1.127 7.333 1.00 0.41 O ATOM 1940 CB VAL A 442 105.783 4.264 7.538 1.00 0.42 C ATOM 1941 CG1 VAL A 442 107.182 4.341 6.927 1.00 0.44 C ATOM 1942 CG2 VAL A 442 105.197 5.673 7.657 1.00 0.57 C ATOM 0 H VAL A 442 103.558 3.018 8.266 1.00 0.56 H new ATOM 0 HA VAL A 442 104.830 3.806 5.627 1.00 0.44 H new ATOM 0 HB VAL A 442 105.845 3.812 8.528 1.00 0.42 H new ATOM 0 HG11 VAL A 442 107.825 4.947 7.566 1.00 0.44 H new ATOM 0 HG12 VAL A 442 107.597 3.337 6.841 1.00 0.44 H new ATOM 0 HG13 VAL A 442 107.122 4.794 5.938 1.00 0.44 H new ATOM 0 HG21 VAL A 442 105.838 6.281 8.296 1.00 0.57 H new ATOM 0 HG22 VAL A 442 105.136 6.127 6.668 1.00 0.57 H new ATOM 0 HG23 VAL A 442 104.199 5.617 8.092 1.00 0.57 H new ATOM 1952 N ILE A 443 106.239 1.702 5.567 1.00 0.42 N ATOM 1953 CA ILE A 443 106.749 0.305 5.400 1.00 0.43 C ATOM 1954 C ILE A 443 108.277 0.275 5.398 1.00 0.44 C ATOM 1955 O ILE A 443 108.922 1.000 4.674 1.00 0.51 O ATOM 1956 CB ILE A 443 106.217 -0.162 4.047 1.00 0.47 C ATOM 1957 CG1 ILE A 443 104.722 0.151 3.941 1.00 0.51 C ATOM 1958 CG2 ILE A 443 106.430 -1.670 3.912 1.00 0.56 C ATOM 1959 CD1 ILE A 443 104.007 -0.328 5.206 1.00 1.05 C ATOM 0 H ILE A 443 106.574 2.374 4.876 1.00 0.42 H new ATOM 0 HA ILE A 443 106.421 -0.336 6.218 1.00 0.43 H new ATOM 0 HB ILE A 443 106.751 0.358 3.251 1.00 0.47 H new ATOM 0 HG12 ILE A 443 104.573 1.223 3.810 1.00 0.51 H new ATOM 0 HG13 ILE A 443 104.299 -0.339 3.064 1.00 0.51 H new ATOM 0 HG21 ILE A 443 106.051 -2.006 2.947 1.00 0.56 H new ATOM 0 HG22 ILE A 443 107.494 -1.895 3.982 1.00 0.56 H new ATOM 0 HG23 ILE A 443 105.897 -2.186 4.711 1.00 0.56 H new ATOM 0 HD11 ILE A 443 102.943 -0.105 5.129 1.00 1.05 H new ATOM 0 HD12 ILE A 443 104.145 -1.404 5.317 1.00 1.05 H new ATOM 0 HD13 ILE A 443 104.423 0.182 6.075 1.00 1.05 H new ATOM 1971 N ALA A 444 108.854 -0.582 6.186 1.00 0.40 N ATOM 1972 CA ALA A 444 110.341 -0.693 6.222 1.00 0.44 C ATOM 1973 C ALA A 444 110.796 -1.920 5.427 1.00 0.43 C ATOM 1974 O ALA A 444 110.373 -3.026 5.694 1.00 0.45 O ATOM 1975 CB ALA A 444 110.680 -0.869 7.703 1.00 0.46 C ATOM 0 H ALA A 444 108.359 -1.217 6.813 1.00 0.40 H new ATOM 0 HA ALA A 444 110.834 0.175 5.784 1.00 0.44 H new ATOM 0 HB1 ALA A 444 111.760 -0.959 7.821 1.00 0.46 H new ATOM 0 HB2 ALA A 444 110.325 -0.004 8.263 1.00 0.46 H new ATOM 0 HB3 ALA A 444 110.197 -1.770 8.082 1.00 0.46 H new ATOM 1981 N LEU A 445 111.617 -1.736 4.432 1.00 0.57 N ATOM 1982 CA LEU A 445 112.049 -2.903 3.607 1.00 0.63 C ATOM 1983 C LEU A 445 113.466 -3.336 3.988 1.00 0.75 C ATOM 1984 O LEU A 445 114.364 -2.523 4.084 1.00 0.92 O ATOM 1985 CB LEU A 445 112.021 -2.404 2.163 1.00 0.81 C ATOM 1986 CG LEU A 445 110.608 -2.537 1.594 1.00 1.23 C ATOM 1987 CD1 LEU A 445 109.591 -1.992 2.600 1.00 2.11 C ATOM 1988 CD2 LEU A 445 110.510 -1.739 0.292 1.00 1.91 C ATOM 0 H LEU A 445 112.007 -0.835 4.154 1.00 0.57 H new ATOM 0 HA LEU A 445 111.401 -3.767 3.757 1.00 0.63 H new ATOM 0 HB2 LEU A 445 112.342 -1.363 2.122 1.00 0.81 H new ATOM 0 HB3 LEU A 445 112.722 -2.978 1.557 1.00 0.81 H new ATOM 0 HG LEU A 445 110.395 -3.588 1.400 1.00 1.23 H new ATOM 0 HD11 LEU A 445 108.586 -2.089 2.190 1.00 2.11 H new ATOM 0 HD12 LEU A 445 109.660 -2.557 3.529 1.00 2.11 H new ATOM 0 HD13 LEU A 445 109.802 -0.941 2.798 1.00 2.11 H new ATOM 0 HD21 LEU A 445 109.504 -1.832 -0.117 1.00 1.91 H new ATOM 0 HD22 LEU A 445 110.725 -0.689 0.492 1.00 1.91 H new ATOM 0 HD23 LEU A 445 111.231 -2.127 -0.428 1.00 1.91 H new ATOM 2000 N LYS A 446 113.695 -4.617 4.064 1.00 0.89 N ATOM 2001 CA LYS A 446 115.078 -5.122 4.277 1.00 1.15 C ATOM 2002 C LYS A 446 115.800 -5.226 2.934 1.00 1.27 C ATOM 2003 O LYS A 446 115.199 -5.513 1.920 1.00 1.87 O ATOM 2004 CB LYS A 446 114.890 -6.507 4.886 1.00 1.92 C ATOM 2005 CG LYS A 446 116.235 -7.043 5.373 1.00 2.25 C ATOM 2006 CD LYS A 446 116.040 -8.456 5.917 1.00 2.85 C ATOM 2007 CE LYS A 446 117.339 -8.943 6.564 1.00 3.64 C ATOM 2008 NZ LYS A 446 116.974 -9.251 7.975 1.00 4.48 N ATOM 0 H LYS A 446 112.979 -5.339 3.987 1.00 0.89 H new ATOM 0 HA LYS A 446 115.673 -4.469 4.915 1.00 1.15 H new ATOM 0 HB2 LYS A 446 114.186 -6.457 5.716 1.00 1.92 H new ATOM 0 HB3 LYS A 446 114.464 -7.185 4.147 1.00 1.92 H new ATOM 0 HG2 LYS A 446 116.956 -7.051 4.555 1.00 2.25 H new ATOM 0 HG3 LYS A 446 116.640 -6.394 6.149 1.00 2.25 H new ATOM 0 HD2 LYS A 446 115.232 -8.466 6.648 1.00 2.85 H new ATOM 0 HD3 LYS A 446 115.749 -9.130 5.111 1.00 2.85 H new ATOM 0 HE2 LYS A 446 117.727 -9.825 6.055 1.00 3.64 H new ATOM 0 HE3 LYS A 446 118.115 -8.179 6.515 1.00 3.64 H new ATOM 0 HZ1 LYS A 446 117.814 -9.591 8.485 1.00 4.48 H new ATOM 0 HZ2 LYS A 446 116.614 -8.391 8.436 1.00 4.48 H new ATOM 0 HZ3 LYS A 446 116.238 -9.986 7.991 1.00 4.48 H new ATOM 2022 N ASP A 447 117.082 -5.003 2.916 1.00 1.33 N ATOM 2023 CA ASP A 447 117.832 -5.103 1.631 1.00 2.04 C ATOM 2024 C ASP A 447 118.461 -6.492 1.484 1.00 1.83 C ATOM 2025 O ASP A 447 119.277 -6.905 2.282 1.00 2.21 O ATOM 2026 CB ASP A 447 118.912 -4.024 1.714 1.00 2.93 C ATOM 2027 CG ASP A 447 119.700 -4.179 3.017 1.00 3.02 C ATOM 2028 OD1 ASP A 447 119.411 -5.106 3.756 1.00 3.91 O ATOM 2029 OD2 ASP A 447 120.579 -3.368 3.254 1.00 2.75 O ATOM 0 H ASP A 447 117.644 -4.757 3.731 1.00 1.33 H new ATOM 0 HA ASP A 447 117.184 -4.962 0.766 1.00 2.04 H new ATOM 0 HB2 ASP A 447 119.585 -4.103 0.860 1.00 2.93 H new ATOM 0 HB3 ASP A 447 118.455 -3.035 1.670 1.00 2.93 H new ATOM 2034 N ILE A 448 118.120 -7.196 0.439 1.00 2.00 N ATOM 2035 CA ILE A 448 118.734 -8.535 0.210 1.00 2.26 C ATOM 2036 C ILE A 448 120.258 -8.403 0.220 1.00 2.39 C ATOM 2037 O ILE A 448 120.959 -9.174 0.844 1.00 2.75 O ATOM 2038 CB ILE A 448 118.239 -8.969 -1.176 1.00 2.53 C ATOM 2039 CG1 ILE A 448 116.812 -9.517 -1.076 1.00 3.34 C ATOM 2040 CG2 ILE A 448 119.153 -10.064 -1.735 1.00 2.71 C ATOM 2041 CD1 ILE A 448 115.953 -8.613 -0.188 1.00 3.61 C ATOM 0 H ILE A 448 117.443 -6.902 -0.265 1.00 2.00 H new ATOM 0 HA ILE A 448 118.464 -9.260 0.978 1.00 2.26 H new ATOM 0 HB ILE A 448 118.253 -8.103 -1.838 1.00 2.53 H new ATOM 0 HG12 ILE A 448 116.371 -9.585 -2.071 1.00 3.34 H new ATOM 0 HG13 ILE A 448 116.832 -10.527 -0.666 1.00 3.34 H new ATOM 0 HG21 ILE A 448 118.797 -10.368 -2.719 1.00 2.71 H new ATOM 0 HG22 ILE A 448 120.170 -9.681 -1.820 1.00 2.71 H new ATOM 0 HG23 ILE A 448 119.144 -10.923 -1.064 1.00 2.71 H new ATOM 0 HD11 ILE A 448 114.942 -9.017 -0.128 1.00 3.61 H new ATOM 0 HD12 ILE A 448 116.386 -8.567 0.811 1.00 3.61 H new ATOM 0 HD13 ILE A 448 115.918 -7.611 -0.615 1.00 3.61 H new ATOM 2053 N VAL A 449 120.770 -7.439 -0.491 1.00 2.65 N ATOM 2054 CA VAL A 449 122.248 -7.258 -0.555 1.00 3.38 C ATOM 2055 C VAL A 449 122.683 -6.119 0.372 1.00 3.99 C ATOM 2056 O VAL A 449 122.075 -5.067 0.405 1.00 4.70 O ATOM 2057 CB VAL A 449 122.536 -6.899 -2.012 1.00 4.18 C ATOM 2058 CG1 VAL A 449 124.046 -6.773 -2.219 1.00 5.09 C ATOM 2059 CG2 VAL A 449 121.987 -7.997 -2.926 1.00 4.27 C ATOM 0 H VAL A 449 120.228 -6.766 -1.033 1.00 2.65 H new ATOM 0 HA VAL A 449 122.788 -8.150 -0.237 1.00 3.38 H new ATOM 0 HB VAL A 449 122.056 -5.950 -2.253 1.00 4.18 H new ATOM 0 HG11 VAL A 449 124.251 -6.517 -3.259 1.00 5.09 H new ATOM 0 HG12 VAL A 449 124.438 -5.991 -1.569 1.00 5.09 H new ATOM 0 HG13 VAL A 449 124.527 -7.721 -1.977 1.00 5.09 H new ATOM 0 HG21 VAL A 449 122.192 -7.741 -3.966 1.00 4.27 H new ATOM 0 HG22 VAL A 449 122.467 -8.945 -2.684 1.00 4.27 H new ATOM 0 HG23 VAL A 449 120.911 -8.087 -2.780 1.00 4.27 H new ATOM 2069 N LYS A 450 123.733 -6.318 1.120 1.00 4.08 N ATOM 2070 CA LYS A 450 124.208 -5.244 2.038 1.00 5.12 C ATOM 2071 C LYS A 450 125.263 -4.382 1.341 1.00 5.65 C ATOM 2072 O LYS A 450 126.056 -4.866 0.557 1.00 6.68 O ATOM 2073 CB LYS A 450 124.820 -5.983 3.229 1.00 5.87 C ATOM 2074 CG LYS A 450 123.733 -6.786 3.946 1.00 5.93 C ATOM 2075 CD LYS A 450 124.320 -7.433 5.202 1.00 6.39 C ATOM 2076 CE LYS A 450 123.269 -8.337 5.850 1.00 6.77 C ATOM 2077 NZ LYS A 450 123.849 -9.708 5.782 1.00 7.50 N ATOM 0 H LYS A 450 124.283 -7.177 1.136 1.00 4.08 H new ATOM 0 HA LYS A 450 123.403 -4.575 2.343 1.00 5.12 H new ATOM 0 HB2 LYS A 450 125.613 -6.648 2.889 1.00 5.87 H new ATOM 0 HB3 LYS A 450 125.275 -5.271 3.918 1.00 5.87 H new ATOM 0 HG2 LYS A 450 122.902 -6.134 4.215 1.00 5.93 H new ATOM 0 HG3 LYS A 450 123.335 -7.553 3.282 1.00 5.93 H new ATOM 0 HD2 LYS A 450 125.206 -8.014 4.945 1.00 6.39 H new ATOM 0 HD3 LYS A 450 124.637 -6.664 5.906 1.00 6.39 H new ATOM 0 HE2 LYS A 450 123.074 -8.041 6.881 1.00 6.77 H new ATOM 0 HE3 LYS A 450 122.319 -8.283 5.318 1.00 6.77 H new ATOM 0 HZ1 LYS A 450 123.186 -10.387 6.208 1.00 7.50 H new ATOM 0 HZ2 LYS A 450 124.017 -9.965 4.788 1.00 7.50 H new ATOM 0 HZ3 LYS A 450 124.749 -9.730 6.303 1.00 7.50 H new ATOM 2091 N GLY A 451 125.278 -3.106 1.617 1.00 5.14 N ATOM 2092 CA GLY A 451 126.280 -2.215 0.967 1.00 5.92 C ATOM 2093 C GLY A 451 126.895 -1.287 2.015 1.00 6.73 C ATOM 2094 O GLY A 451 128.091 -1.382 2.232 1.00 7.01 O ATOM 2095 OXT GLY A 451 126.159 -0.495 2.582 1.00 7.30 O ATOM 0 H GLY A 451 124.640 -2.643 2.264 1.00 5.14 H new ATOM 0 HA2 GLY A 451 127.059 -2.812 0.493 1.00 5.92 H new ATOM 0 HA3 GLY A 451 125.805 -1.628 0.181 1.00 5.92 H new TER 2099 GLY A 451 HETATM 2100 PG ANP A1001 114.603 -1.846 -12.186 1.00 0.00 P HETATM 2101 O1G ANP A1001 115.640 -2.463 -11.283 1.00 0.00 O HETATM 2102 O2G ANP A1001 113.592 -2.872 -12.631 1.00 0.00 O HETATM 2103 O3G ANP A1001 115.244 -1.167 -13.367 1.00 0.00 O HETATM 2104 PB ANP A1001 114.579 -0.193 -10.013 1.00 0.00 P HETATM 2105 O1B ANP A1001 114.655 -1.332 -9.035 1.00 0.00 O HETATM 2106 O2B ANP A1001 115.941 0.298 -10.416 1.00 0.00 O HETATM 2107 N3B ANP A1001 113.820 -0.719 -11.340 1.00 0.00 N HETATM 2108 PA ANP A1001 112.089 0.752 -9.030 1.00 0.00 P HETATM 2109 O1A ANP A1001 111.168 1.304 -10.053 1.00 0.00 O HETATM 2110 O2A ANP A1001 111.905 -0.680 -8.694 1.00 0.00 O HETATM 2111 O3A ANP A1001 113.617 0.997 -9.502 1.00 0.00 O HETATM 2112 O5' ANP A1001 111.978 1.637 -7.679 1.00 0.00 O HETATM 2113 C5' ANP A1001 112.194 1.084 -6.360 1.00 0.00 C HETATM 2114 C4' ANP A1001 112.098 2.188 -5.317 1.00 0.00 C HETATM 2115 O4' ANP A1001 110.746 2.753 -5.390 1.00 0.00 O HETATM 2116 C3' ANP A1001 112.249 1.429 -3.991 1.00 0.00 C HETATM 2117 O3' ANP A1001 113.515 1.666 -3.390 1.00 0.00 O HETATM 2118 C2' ANP A1001 111.143 1.994 -3.143 1.00 0.00 C HETATM 2119 O2' ANP A1001 111.566 3.140 -2.417 1.00 0.00 O HETATM 2120 C1' ANP A1001 110.094 2.357 -4.163 1.00 0.00 C HETATM 2121 N9 ANP A1001 109.234 1.167 -4.478 1.00 0.00 N HETATM 2122 C8 ANP A1001 109.673 -0.094 -4.561 1.00 0.00 C HETATM 2123 N7 ANP A1001 108.662 -0.924 -4.833 1.00 0.00 N HETATM 2124 C5 ANP A1001 107.561 -0.193 -4.934 1.00 0.00 C HETATM 2125 C6 ANP A1001 106.183 -0.456 -5.179 1.00 0.00 C HETATM 2126 N6 ANP A1001 105.759 -1.699 -5.360 1.00 0.00 N HETATM 2127 N1 ANP A1001 105.283 0.582 -5.212 1.00 0.00 N HETATM 2128 C2 ANP A1001 105.644 1.886 -5.013 1.00 0.00 C HETATM 2129 N3 ANP A1001 106.962 2.156 -4.780 1.00 0.00 N HETATM 2130 C4 ANP A1001 107.923 1.157 -4.717 1.00 0.00 C HETATM 0 HO3' ANP A1001 113.483 1.405 -2.446 1.00 0.00 H new HETATM 0 HO2' ANP A1001 112.538 3.111 -2.297 1.00 0.00 H new HETATM 0 HNB1 ANP A1001 112.907 -0.362 -11.623 1.00 0.00 H new HETATM 0 HN62 ANP A1001 104.771 -1.880 -5.535 1.00 0.00 H new HETATM 0 HN61 ANP A1001 106.421 -2.474 -5.324 1.00 0.00 H new HETATM 0 H5'2 ANP A1001 111.454 0.311 -6.154 1.00 0.00 H new HETATM 0 H5'1 ANP A1001 113.174 0.609 -6.311 1.00 0.00 H new HETATM 0 H8 ANP A1001 110.710 -0.401 -4.426 1.00 0.00 H new HETATM 0 H4' ANP A1001 112.827 2.989 -5.440 1.00 0.00 H new HETATM 0 H3' ANP A1001 112.190 0.348 -4.119 1.00 0.00 H new HETATM 0 H2' ANP A1001 110.792 1.295 -2.384 1.00 0.00 H new HETATM 0 H2 ANP A1001 104.903 2.685 -5.040 1.00 0.00 H new HETATM 0 H1' ANP A1001 109.484 3.164 -3.757 1.00 0.00 H new