USER MOD reduce.3.24.130724 H: found=0, std=0, add=1072, rem=0, adj=21 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 HD1:sc= -5.06! C(o=-6.4!,f=-7.6!) USER MOD Set 1.2: A 408 ASN : amide:sc= -1.32 K(o=-6.4,f=-7.6) USER MOD Set 2.1: A 397 SER OG : rot -140:sc= -0.424 USER MOD Set 2.2: A1001 ANP O2' : rot 81:sc= -0.574 USER MOD Set 3.1: A 387 ASN : amide:sc= -10.1! C(o=-18!,f=-11!) USER MOD Set 3.2: A 392 MET CE :methyl -153:sc= -7.5! (180deg=-3.43!) USER MOD Single : A 316 ASN : amide:sc= -6.79! C(o=-6.8!,f=-9.2!) USER MOD Single : A 318 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 320 SER OG : rot -138:sc= -2! USER MOD Single : A 326 GLN : amide:sc= -0.904 K(o=-0.9,f=-2.6!) 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= -15.8! C(o=-16!,f=-33!) USER MOD Single : A 341 SER OG : rot 11:sc= -3.79! USER MOD Single : A 346 THR OG1 : rot 180:sc= 0.207 USER MOD Single : A 351 SER OG : rot 74:sc= 0.08 USER MOD Single : A 357 LYS NZ :NH3+ 172:sc=-0.00648 (180deg=-0.0537) USER MOD Single : A 358 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 361 ASN : amide:sc= 0 X(o=0,f=-0.033) USER MOD Single : A 368 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 369 SER OG : rot 180:sc= 0 USER MOD Single : A 371 HIS : no HD1:sc= -0.0761 X(o=-0.076,f=-0.069) 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 -117:sc= -8.07! (180deg=-12.1!) USER MOD Single : A 384 SER OG : rot -164:sc= 1.32 USER MOD Single : A 390 ASN : amide:sc= -0.349 X(o=-0.35,f=-0.09) USER MOD Single : A 395 LYS NZ :NH3+ -110:sc= -9.04! (180deg=-13.6!) USER MOD Single : A 411 HIS : no HD1:sc= -0.441 X(o=-0.44,f=-0.46) USER MOD Single : A 414 THR OG1 : rot 180:sc= 0 USER MOD Single : A 418 GLN : amide:sc= -2.38! C(o=-2.4!,f=-3!) USER MOD Single : A 419 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0346) USER MOD Single : A 422 GLN : amide:sc= -0.91 K(o=-0.91,f=0) USER MOD Single : A 426 GLN : amide:sc=-0.00291 K(o=-0.0029,f=-1.7!) 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 O3' : rot 112:sc= 0.123 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 316 115.863 -9.211 -4.519 1.00 4.45 N ATOM 2 CA ASN A 316 116.488 -7.919 -4.115 1.00 3.89 C ATOM 3 C ASN A 316 115.705 -7.284 -2.965 1.00 2.72 C ATOM 4 O ASN A 316 114.961 -7.945 -2.266 1.00 2.74 O ATOM 5 CB ASN A 316 116.423 -7.035 -5.362 1.00 4.56 C ATOM 6 CG ASN A 316 114.988 -6.550 -5.574 1.00 5.35 C ATOM 7 OD1 ASN A 316 114.055 -7.325 -5.500 1.00 5.50 O ATOM 8 ND2 ASN A 316 114.772 -5.289 -5.826 1.00 6.08 N ATOM 0 HA ASN A 316 117.511 -8.052 -3.764 1.00 3.89 H new ATOM 0 HB2 ASN A 316 117.093 -6.182 -5.251 1.00 4.56 H new ATOM 0 HB3 ASN A 316 116.761 -7.594 -6.234 1.00 4.56 H new ATOM 0 HD21 ASN A 316 113.819 -4.952 -5.961 1.00 6.08 H new ATOM 0 HD22 ASN A 316 115.556 -4.640 -5.888 1.00 6.08 H new ATOM 15 N ARG A 317 115.915 -6.020 -2.732 1.00 2.20 N ATOM 16 CA ARG A 317 115.244 -5.342 -1.583 1.00 1.30 C ATOM 17 C ARG A 317 113.791 -5.803 -1.463 1.00 1.48 C ATOM 18 O ARG A 317 113.124 -6.064 -2.444 1.00 1.26 O ATOM 19 CB ARG A 317 115.306 -3.850 -1.913 1.00 1.52 C ATOM 20 CG ARG A 317 116.765 -3.390 -1.937 1.00 2.49 C ATOM 21 CD ARG A 317 116.820 -1.877 -2.157 1.00 3.27 C ATOM 22 NE ARG A 317 118.261 -1.572 -2.380 1.00 4.34 N ATOM 23 CZ ARG A 317 118.847 -1.940 -3.488 1.00 5.21 C ATOM 24 NH1 ARG A 317 118.175 -2.579 -4.408 1.00 5.83 N ATOM 25 NH2 ARG A 317 120.109 -1.667 -3.677 1.00 5.72 N ATOM 0 H ARG A 317 116.525 -5.422 -3.289 1.00 2.20 H new ATOM 0 HA ARG A 317 115.726 -5.573 -0.633 1.00 1.30 H new ATOM 0 HB2 ARG A 317 114.839 -3.661 -2.879 1.00 1.52 H new ATOM 0 HB3 ARG A 317 114.746 -3.280 -1.172 1.00 1.52 H new ATOM 0 HG2 ARG A 317 117.255 -3.650 -0.998 1.00 2.49 H new ATOM 0 HG3 ARG A 317 117.306 -3.904 -2.732 1.00 2.49 H new ATOM 0 HD2 ARG A 317 116.217 -1.581 -3.015 1.00 3.27 H new ATOM 0 HD3 ARG A 317 116.432 -1.338 -1.293 1.00 3.27 H new ATOM 0 HE ARG A 317 118.792 -1.074 -1.665 1.00 4.34 H new ATOM 0 HH11 ARG A 317 117.188 -2.793 -4.263 1.00 5.83 H new ATOM 0 HH12 ARG A 317 118.637 -2.864 -5.271 1.00 5.83 H new ATOM 0 HH21 ARG A 317 120.636 -1.167 -2.960 1.00 5.72 H new ATOM 0 HH22 ARG A 317 120.569 -1.953 -4.541 1.00 5.72 H new ATOM 39 N GLN A 318 113.316 -5.946 -0.258 1.00 2.19 N ATOM 40 CA GLN A 318 111.923 -6.442 -0.053 1.00 2.64 C ATOM 41 C GLN A 318 111.320 -5.823 1.212 1.00 2.16 C ATOM 42 O GLN A 318 112.022 -5.495 2.144 1.00 2.69 O ATOM 43 CB GLN A 318 112.069 -7.954 0.117 1.00 3.37 C ATOM 44 CG GLN A 318 112.873 -8.249 1.385 1.00 4.16 C ATOM 45 CD GLN A 318 112.995 -9.763 1.571 1.00 4.79 C ATOM 46 OE1 GLN A 318 112.358 -10.526 0.871 1.00 4.85 O ATOM 47 NE2 GLN A 318 113.792 -10.232 2.491 1.00 5.58 N ATOM 0 H GLN A 318 113.832 -5.741 0.597 1.00 2.19 H new ATOM 0 HA GLN A 318 111.265 -6.180 -0.882 1.00 2.64 H new ATOM 0 HB2 GLN A 318 111.086 -8.420 0.180 1.00 3.37 H new ATOM 0 HB3 GLN A 318 112.569 -8.382 -0.752 1.00 3.37 H new ATOM 0 HG2 GLN A 318 113.863 -7.800 1.313 1.00 4.16 H new ATOM 0 HG3 GLN A 318 112.383 -7.804 2.251 1.00 4.16 H new ATOM 0 HE21 GLN A 318 114.326 -9.591 3.078 1.00 5.58 H new ATOM 0 HE22 GLN A 318 113.881 -11.239 2.623 1.00 5.58 H new ATOM 56 N ALA A 319 110.020 -5.750 1.294 1.00 1.32 N ATOM 57 CA ALA A 319 109.389 -5.251 2.549 1.00 1.05 C ATOM 58 C ALA A 319 109.548 -6.282 3.663 1.00 0.89 C ATOM 59 O ALA A 319 109.243 -7.446 3.492 1.00 1.18 O ATOM 60 CB ALA A 319 107.912 -5.069 2.217 1.00 1.42 C ATOM 0 H ALA A 319 109.371 -6.012 0.552 1.00 1.32 H new ATOM 0 HA ALA A 319 109.848 -4.324 2.892 1.00 1.05 H new ATOM 0 HB1 ALA A 319 107.384 -4.703 3.097 1.00 1.42 H new ATOM 0 HB2 ALA A 319 107.808 -4.349 1.405 1.00 1.42 H new ATOM 0 HB3 ALA A 319 107.487 -6.025 1.911 1.00 1.42 H new ATOM 66 N SER A 320 109.935 -5.851 4.828 1.00 0.59 N ATOM 67 CA SER A 320 110.005 -6.798 5.974 1.00 0.64 C ATOM 68 C SER A 320 108.912 -6.485 6.999 1.00 0.49 C ATOM 69 O SER A 320 108.352 -7.373 7.611 1.00 0.50 O ATOM 70 CB SER A 320 111.392 -6.592 6.580 1.00 0.78 C ATOM 71 OG SER A 320 112.315 -7.474 5.953 1.00 1.60 O ATOM 0 H SER A 320 110.205 -4.890 5.037 1.00 0.59 H new ATOM 0 HA SER A 320 109.850 -7.830 5.660 1.00 0.64 H new ATOM 0 HB2 SER A 320 111.710 -5.558 6.445 1.00 0.78 H new ATOM 0 HB3 SER A 320 111.364 -6.780 7.653 1.00 0.78 H new ATOM 0 HG SER A 320 112.911 -7.859 6.629 1.00 1.60 H new ATOM 77 N GLU A 321 108.618 -5.231 7.214 1.00 0.45 N ATOM 78 CA GLU A 321 107.578 -4.873 8.223 1.00 0.44 C ATOM 79 C GLU A 321 106.828 -3.607 7.807 1.00 0.37 C ATOM 80 O GLU A 321 107.407 -2.672 7.304 1.00 0.35 O ATOM 81 CB GLU A 321 108.345 -4.631 9.518 1.00 0.59 C ATOM 82 CG GLU A 321 107.365 -4.243 10.625 1.00 0.73 C ATOM 83 CD GLU A 321 108.140 -3.914 11.903 1.00 1.02 C ATOM 84 OE1 GLU A 321 109.359 -3.963 11.862 1.00 1.82 O ATOM 85 OE2 GLU A 321 107.502 -3.619 12.900 1.00 1.30 O ATOM 0 H GLU A 321 109.051 -4.441 6.737 1.00 0.45 H new ATOM 0 HA GLU A 321 106.831 -5.660 8.327 1.00 0.44 H new ATOM 0 HB2 GLU A 321 108.894 -5.529 9.802 1.00 0.59 H new ATOM 0 HB3 GLU A 321 109.081 -3.840 9.375 1.00 0.59 H new ATOM 0 HG2 GLU A 321 106.772 -3.382 10.315 1.00 0.73 H new ATOM 0 HG3 GLU A 321 106.668 -5.060 10.810 1.00 0.73 H new ATOM 92 N PHE A 322 105.567 -3.531 8.120 1.00 0.40 N ATOM 93 CA PHE A 322 104.804 -2.274 7.859 1.00 0.37 C ATOM 94 C PHE A 322 104.303 -1.681 9.177 1.00 0.38 C ATOM 95 O PHE A 322 103.964 -2.395 10.100 1.00 0.42 O ATOM 96 CB PHE A 322 103.634 -2.697 6.969 1.00 0.41 C ATOM 97 CG PHE A 322 102.902 -3.849 7.608 1.00 0.52 C ATOM 98 CD1 PHE A 322 101.852 -3.604 8.504 1.00 0.67 C ATOM 99 CD2 PHE A 322 103.270 -5.166 7.301 1.00 0.94 C ATOM 100 CE1 PHE A 322 101.171 -4.679 9.094 1.00 0.87 C ATOM 101 CE2 PHE A 322 102.588 -6.240 7.890 1.00 1.14 C ATOM 102 CZ PHE A 322 101.539 -5.996 8.786 1.00 1.00 C ATOM 0 H PHE A 322 105.028 -4.285 8.546 1.00 0.40 H new ATOM 0 HA PHE A 322 105.414 -1.507 7.382 1.00 0.37 H new ATOM 0 HB2 PHE A 322 102.954 -1.858 6.822 1.00 0.41 H new ATOM 0 HB3 PHE A 322 104.000 -2.987 5.984 1.00 0.41 H new ATOM 0 HD1 PHE A 322 101.568 -2.589 8.740 1.00 0.67 H new ATOM 0 HD2 PHE A 322 104.079 -5.354 6.611 1.00 0.94 H new ATOM 0 HE1 PHE A 322 100.363 -4.492 9.786 1.00 0.87 H new ATOM 0 HE2 PHE A 322 102.871 -7.255 7.653 1.00 1.14 H new ATOM 0 HZ PHE A 322 101.013 -6.823 9.240 1.00 1.00 H new ATOM 112 N ILE A 323 104.226 -0.381 9.263 1.00 0.37 N ATOM 113 CA ILE A 323 103.711 0.245 10.518 1.00 0.41 C ATOM 114 C ILE A 323 102.690 1.342 10.199 1.00 0.43 C ATOM 115 O ILE A 323 102.896 2.139 9.307 1.00 0.53 O ATOM 116 CB ILE A 323 104.926 0.849 11.216 1.00 0.44 C ATOM 117 CG1 ILE A 323 106.119 -0.108 11.109 1.00 0.46 C ATOM 118 CG2 ILE A 323 104.581 1.069 12.688 1.00 0.48 C ATOM 119 CD1 ILE A 323 106.937 0.232 9.862 1.00 0.52 C ATOM 0 H ILE A 323 104.494 0.272 8.526 1.00 0.37 H new ATOM 0 HA ILE A 323 103.207 -0.490 11.145 1.00 0.41 H new ATOM 0 HB ILE A 323 105.190 1.796 10.745 1.00 0.44 H new ATOM 0 HG12 ILE A 323 106.743 -0.029 11.999 1.00 0.46 H new ATOM 0 HG13 ILE A 323 105.768 -1.139 11.057 1.00 0.46 H new ATOM 0 HG21 ILE A 323 105.440 1.501 13.202 1.00 0.48 H new ATOM 0 HG22 ILE A 323 103.732 1.749 12.765 1.00 0.48 H new ATOM 0 HG23 ILE A 323 104.325 0.115 13.148 1.00 0.48 H new ATOM 0 HD11 ILE A 323 107.785 -0.449 9.786 1.00 0.52 H new ATOM 0 HD12 ILE A 323 106.310 0.130 8.976 1.00 0.52 H new ATOM 0 HD13 ILE A 323 107.300 1.257 9.933 1.00 0.52 H new ATOM 131 N PRO A 324 101.585 1.296 10.897 1.00 0.36 N ATOM 132 CA PRO A 324 100.469 2.238 10.631 1.00 0.40 C ATOM 133 C PRO A 324 100.888 3.687 10.876 1.00 0.64 C ATOM 134 O PRO A 324 101.766 3.972 11.667 1.00 1.44 O ATOM 135 CB PRO A 324 99.381 1.833 11.619 1.00 0.33 C ATOM 136 CG PRO A 324 99.794 0.513 12.184 1.00 0.30 C ATOM 137 CD PRO A 324 101.276 0.374 11.992 1.00 0.29 C ATOM 0 HA PRO A 324 100.141 2.188 9.593 1.00 0.40 H new ATOM 0 HB2 PRO A 324 99.276 2.578 12.408 1.00 0.33 H new ATOM 0 HB3 PRO A 324 98.414 1.757 11.122 1.00 0.33 H new ATOM 0 HG2 PRO A 324 99.539 0.454 13.242 1.00 0.30 H new ATOM 0 HG3 PRO A 324 99.266 -0.299 11.683 1.00 0.30 H new ATOM 0 HD2 PRO A 324 101.821 0.636 12.899 1.00 0.29 H new ATOM 0 HD3 PRO A 324 101.550 -0.650 11.740 1.00 0.29 H new ATOM 145 N ALA A 325 100.181 4.603 10.277 1.00 0.75 N ATOM 146 CA ALA A 325 100.430 6.045 10.545 1.00 0.98 C ATOM 147 C ALA A 325 99.749 6.458 11.846 1.00 0.81 C ATOM 148 O ALA A 325 99.411 5.635 12.674 1.00 1.11 O ATOM 149 CB ALA A 325 99.799 6.774 9.359 1.00 1.58 C ATOM 0 H ALA A 325 99.435 4.412 9.608 1.00 0.75 H new ATOM 0 HA ALA A 325 101.490 6.274 10.652 1.00 0.98 H new ATOM 0 HB1 ALA A 325 99.938 7.849 9.477 1.00 1.58 H new ATOM 0 HB2 ALA A 325 100.275 6.446 8.435 1.00 1.58 H new ATOM 0 HB3 ALA A 325 98.733 6.548 9.318 1.00 1.58 H new ATOM 155 N GLN A 326 99.583 7.731 12.050 1.00 0.91 N ATOM 156 CA GLN A 326 98.967 8.210 13.318 1.00 1.48 C ATOM 157 C GLN A 326 97.527 7.695 13.438 1.00 1.32 C ATOM 158 O GLN A 326 96.609 8.256 12.873 1.00 1.83 O ATOM 159 CB GLN A 326 98.984 9.734 13.201 1.00 2.25 C ATOM 160 CG GLN A 326 98.667 10.359 14.562 1.00 3.14 C ATOM 161 CD GLN A 326 98.866 11.874 14.484 1.00 3.55 C ATOM 162 OE1 GLN A 326 99.275 12.393 13.465 1.00 4.00 O ATOM 163 NE2 GLN A 326 98.597 12.609 15.528 1.00 3.92 N ATOM 0 H GLN A 326 99.848 8.465 11.392 1.00 0.91 H new ATOM 0 HA GLN A 326 99.501 7.857 14.201 1.00 1.48 H new ATOM 0 HB2 GLN A 326 99.961 10.071 12.854 1.00 2.25 H new ATOM 0 HB3 GLN A 326 98.253 10.060 12.461 1.00 2.25 H new ATOM 0 HG2 GLN A 326 97.641 10.130 14.849 1.00 3.14 H new ATOM 0 HG3 GLN A 326 99.315 9.935 15.329 1.00 3.14 H new ATOM 0 HE21 GLN A 326 98.253 12.173 16.384 1.00 3.92 H new ATOM 0 HE22 GLN A 326 98.730 13.619 15.488 1.00 3.92 H new ATOM 172 N GLY A 327 97.312 6.686 14.241 1.00 1.28 N ATOM 173 CA GLY A 327 95.918 6.204 14.477 1.00 1.48 C ATOM 174 C GLY A 327 95.565 5.091 13.484 1.00 1.24 C ATOM 175 O GLY A 327 94.408 4.781 13.278 1.00 1.52 O ATOM 0 H GLY A 327 98.039 6.176 14.743 1.00 1.28 H new ATOM 0 HA2 GLY A 327 95.822 5.834 15.498 1.00 1.48 H new ATOM 0 HA3 GLY A 327 95.217 7.032 14.370 1.00 1.48 H new ATOM 179 N VAL A 328 96.541 4.516 12.836 1.00 0.93 N ATOM 180 CA VAL A 328 96.241 3.461 11.823 1.00 1.03 C ATOM 181 C VAL A 328 96.528 2.066 12.394 1.00 1.06 C ATOM 182 O VAL A 328 97.390 1.893 13.232 1.00 1.71 O ATOM 183 CB VAL A 328 97.171 3.762 10.649 1.00 1.43 C ATOM 184 CG1 VAL A 328 96.972 2.707 9.559 1.00 1.73 C ATOM 185 CG2 VAL A 328 96.842 5.145 10.083 1.00 1.57 C ATOM 0 H VAL A 328 97.530 4.729 12.963 1.00 0.93 H new ATOM 0 HA VAL A 328 95.192 3.467 11.526 1.00 1.03 H new ATOM 0 HB VAL A 328 98.206 3.743 10.990 1.00 1.43 H new ATOM 0 HG11 VAL A 328 97.635 2.921 8.721 1.00 1.73 H new ATOM 0 HG12 VAL A 328 97.202 1.720 9.961 1.00 1.73 H new ATOM 0 HG13 VAL A 328 95.937 2.727 9.217 1.00 1.73 H new ATOM 0 HG21 VAL A 328 97.504 5.362 9.245 1.00 1.57 H new ATOM 0 HG22 VAL A 328 95.807 5.161 9.741 1.00 1.57 H new ATOM 0 HG23 VAL A 328 96.980 5.898 10.859 1.00 1.57 H new ATOM 195 N ASP A 329 95.830 1.065 11.924 1.00 1.16 N ATOM 196 CA ASP A 329 96.089 -0.324 12.408 1.00 1.20 C ATOM 197 C ASP A 329 97.079 -1.036 11.477 1.00 1.16 C ATOM 198 O ASP A 329 97.150 -0.750 10.298 1.00 1.39 O ATOM 199 CB ASP A 329 94.726 -1.017 12.373 1.00 1.44 C ATOM 200 CG ASP A 329 93.795 -0.363 13.396 1.00 1.37 C ATOM 201 OD1 ASP A 329 94.289 0.380 14.228 1.00 2.02 O ATOM 202 OD2 ASP A 329 92.604 -0.617 13.330 1.00 1.69 O ATOM 0 H ASP A 329 95.091 1.149 11.226 1.00 1.16 H new ATOM 0 HA ASP A 329 96.528 -0.337 13.406 1.00 1.20 H new ATOM 0 HB2 ASP A 329 94.295 -0.945 11.375 1.00 1.44 H new ATOM 0 HB3 ASP A 329 94.840 -2.078 12.595 1.00 1.44 H new ATOM 207 N GLU A 330 97.887 -1.916 12.009 1.00 1.13 N ATOM 208 CA GLU A 330 98.921 -2.591 11.165 1.00 1.11 C ATOM 209 C GLU A 330 98.273 -3.445 10.074 1.00 0.97 C ATOM 210 O GLU A 330 98.728 -3.476 8.951 1.00 0.91 O ATOM 211 CB GLU A 330 99.702 -3.479 12.131 1.00 1.28 C ATOM 212 CG GLU A 330 100.927 -2.720 12.632 1.00 1.68 C ATOM 213 CD GLU A 330 101.694 -3.586 13.633 1.00 2.07 C ATOM 214 OE1 GLU A 330 101.184 -4.637 13.989 1.00 2.49 O ATOM 215 OE2 GLU A 330 102.777 -3.185 14.026 1.00 2.70 O ATOM 0 H GLU A 330 97.877 -2.197 12.990 1.00 1.13 H new ATOM 0 HA GLU A 330 99.556 -1.866 10.656 1.00 1.11 H new ATOM 0 HB2 GLU A 330 99.070 -3.767 12.971 1.00 1.28 H new ATOM 0 HB3 GLU A 330 100.008 -4.398 11.632 1.00 1.28 H new ATOM 0 HG2 GLU A 330 101.572 -2.457 11.794 1.00 1.68 H new ATOM 0 HG3 GLU A 330 100.621 -1.786 13.103 1.00 1.68 H new ATOM 222 N LYS A 331 97.215 -4.136 10.388 1.00 0.98 N ATOM 223 CA LYS A 331 96.555 -4.981 9.353 1.00 0.92 C ATOM 224 C LYS A 331 96.081 -4.110 8.190 1.00 0.81 C ATOM 225 O LYS A 331 96.264 -4.444 7.037 1.00 0.80 O ATOM 226 CB LYS A 331 95.369 -5.628 10.061 1.00 1.02 C ATOM 227 CG LYS A 331 94.725 -6.657 9.131 1.00 1.49 C ATOM 228 CD LYS A 331 93.508 -7.277 9.818 1.00 2.27 C ATOM 229 CE LYS A 331 92.950 -8.406 8.948 1.00 2.60 C ATOM 230 NZ LYS A 331 91.661 -7.882 8.418 1.00 3.03 N ATOM 0 H LYS A 331 96.780 -4.154 11.310 1.00 0.98 H new ATOM 0 HA LYS A 331 97.231 -5.728 8.936 1.00 0.92 H new ATOM 0 HB2 LYS A 331 95.699 -6.109 10.982 1.00 1.02 H new ATOM 0 HB3 LYS A 331 94.640 -4.868 10.342 1.00 1.02 H new ATOM 0 HG2 LYS A 331 94.425 -6.181 8.197 1.00 1.49 H new ATOM 0 HG3 LYS A 331 95.446 -7.433 8.876 1.00 1.49 H new ATOM 0 HD2 LYS A 331 93.788 -7.663 10.798 1.00 2.27 H new ATOM 0 HD3 LYS A 331 92.743 -6.518 9.981 1.00 2.27 H new ATOM 0 HE2 LYS A 331 93.636 -8.657 8.139 1.00 2.60 H new ATOM 0 HE3 LYS A 331 92.797 -9.315 9.530 1.00 2.60 H new ATOM 0 HZ1 LYS A 331 91.217 -8.601 7.811 1.00 3.03 H new ATOM 0 HZ2 LYS A 331 91.025 -7.658 9.210 1.00 3.03 H new ATOM 0 HZ3 LYS A 331 91.838 -7.021 7.862 1.00 3.03 H new ATOM 244 N THR A 332 95.507 -2.978 8.480 1.00 0.78 N ATOM 245 CA THR A 332 95.059 -2.073 7.386 1.00 0.74 C ATOM 246 C THR A 332 96.248 -1.658 6.518 1.00 0.65 C ATOM 247 O THR A 332 96.174 -1.665 5.306 1.00 0.66 O ATOM 248 CB THR A 332 94.472 -0.856 8.101 1.00 0.77 C ATOM 249 OG1 THR A 332 93.434 -1.277 8.974 1.00 0.90 O ATOM 250 CG2 THR A 332 93.913 0.123 7.069 1.00 0.82 C ATOM 0 H THR A 332 95.328 -2.640 9.426 1.00 0.78 H new ATOM 0 HA THR A 332 94.336 -2.551 6.725 1.00 0.74 H new ATOM 0 HB THR A 332 95.252 -0.361 8.679 1.00 0.77 H new ATOM 0 HG1 THR A 332 93.058 -0.498 9.434 1.00 0.90 H new ATOM 0 HG21 THR A 332 93.495 0.990 7.580 1.00 0.82 H new ATOM 0 HG22 THR A 332 94.713 0.445 6.402 1.00 0.82 H new ATOM 0 HG23 THR A 332 93.132 -0.367 6.488 1.00 0.82 H new ATOM 258 N LEU A 333 97.329 -1.258 7.125 1.00 0.59 N ATOM 259 CA LEU A 333 98.497 -0.795 6.323 1.00 0.57 C ATOM 260 C LEU A 333 99.050 -1.923 5.451 1.00 0.58 C ATOM 261 O LEU A 333 99.323 -1.739 4.282 1.00 0.54 O ATOM 262 CB LEU A 333 99.546 -0.362 7.344 1.00 0.68 C ATOM 263 CG LEU A 333 100.884 -0.181 6.628 1.00 0.64 C ATOM 264 CD1 LEU A 333 100.731 0.849 5.509 1.00 0.93 C ATOM 265 CD2 LEU A 333 101.935 0.306 7.622 1.00 0.87 C ATOM 0 H LEU A 333 97.456 -1.231 8.137 1.00 0.59 H new ATOM 0 HA LEU A 333 98.216 0.014 5.649 1.00 0.57 H new ATOM 0 HB2 LEU A 333 99.245 0.570 7.823 1.00 0.68 H new ATOM 0 HB3 LEU A 333 99.637 -1.110 8.132 1.00 0.68 H new ATOM 0 HG LEU A 333 101.197 -1.135 6.205 1.00 0.64 H new ATOM 0 HD11 LEU A 333 101.686 0.977 4.999 1.00 0.93 H new ATOM 0 HD12 LEU A 333 99.983 0.503 4.796 1.00 0.93 H new ATOM 0 HD13 LEU A 333 100.415 1.802 5.933 1.00 0.93 H new ATOM 0 HD21 LEU A 333 102.888 0.434 7.110 1.00 0.87 H new ATOM 0 HD22 LEU A 333 101.620 1.259 8.047 1.00 0.87 H new ATOM 0 HD23 LEU A 333 102.048 -0.427 8.420 1.00 0.87 H new ATOM 277 N ALA A 334 99.229 -3.085 6.006 1.00 0.66 N ATOM 278 CA ALA A 334 99.781 -4.205 5.196 1.00 0.73 C ATOM 279 C ALA A 334 98.852 -4.496 4.017 1.00 0.68 C ATOM 280 O ALA A 334 99.282 -4.798 2.924 1.00 0.66 O ATOM 281 CB ALA A 334 99.829 -5.397 6.150 1.00 0.87 C ATOM 0 H ALA A 334 99.019 -3.309 6.979 1.00 0.66 H new ATOM 0 HA ALA A 334 100.764 -3.979 4.783 1.00 0.73 H new ATOM 0 HB1 ALA A 334 100.226 -6.266 5.626 1.00 0.87 H new ATOM 0 HB2 ALA A 334 100.472 -5.159 6.998 1.00 0.87 H new ATOM 0 HB3 ALA A 334 98.823 -5.617 6.508 1.00 0.87 H new ATOM 287 N ASP A 335 97.579 -4.430 4.236 1.00 0.67 N ATOM 288 CA ASP A 335 96.621 -4.739 3.139 1.00 0.65 C ATOM 289 C ASP A 335 96.718 -3.710 2.007 1.00 0.62 C ATOM 290 O ASP A 335 96.726 -4.057 0.842 1.00 0.69 O ATOM 291 CB ASP A 335 95.252 -4.659 3.791 1.00 0.67 C ATOM 292 CG ASP A 335 95.118 -5.759 4.846 1.00 1.19 C ATOM 293 OD1 ASP A 335 95.939 -6.661 4.840 1.00 1.61 O ATOM 294 OD2 ASP A 335 94.197 -5.680 5.643 1.00 1.96 O ATOM 0 H ASP A 335 97.153 -4.175 5.127 1.00 0.67 H new ATOM 0 HA ASP A 335 96.825 -5.712 2.692 1.00 0.65 H new ATOM 0 HB2 ASP A 335 95.115 -3.681 4.252 1.00 0.67 H new ATOM 0 HB3 ASP A 335 94.473 -4.768 3.037 1.00 0.67 H new ATOM 299 N ALA A 336 96.768 -2.448 2.335 1.00 0.60 N ATOM 300 CA ALA A 336 96.827 -1.402 1.272 1.00 0.62 C ATOM 301 C ALA A 336 98.132 -1.513 0.488 1.00 0.51 C ATOM 302 O ALA A 336 98.157 -1.346 -0.714 1.00 0.55 O ATOM 303 CB ALA A 336 96.748 -0.067 2.010 1.00 0.76 C ATOM 0 H ALA A 336 96.771 -2.095 3.292 1.00 0.60 H new ATOM 0 HA ALA A 336 96.018 -1.508 0.550 1.00 0.62 H new ATOM 0 HB1 ALA A 336 96.786 0.750 1.289 1.00 0.76 H new ATOM 0 HB2 ALA A 336 95.814 -0.015 2.569 1.00 0.76 H new ATOM 0 HB3 ALA A 336 97.588 0.018 2.699 1.00 0.76 H new ATOM 309 N ALA A 337 99.211 -1.818 1.144 1.00 0.46 N ATOM 310 CA ALA A 337 100.500 -1.957 0.403 1.00 0.50 C ATOM 311 C ALA A 337 100.417 -3.133 -0.575 1.00 0.62 C ATOM 312 O ALA A 337 101.012 -3.114 -1.635 1.00 0.72 O ATOM 313 CB ALA A 337 101.562 -2.222 1.472 1.00 0.50 C ATOM 0 H ALA A 337 99.262 -1.977 2.150 1.00 0.46 H new ATOM 0 HA ALA A 337 100.734 -1.067 -0.181 1.00 0.50 H new ATOM 0 HB1 ALA A 337 102.536 -2.335 0.997 1.00 0.50 H new ATOM 0 HB2 ALA A 337 101.593 -1.385 2.169 1.00 0.50 H new ATOM 0 HB3 ALA A 337 101.314 -3.136 2.013 1.00 0.50 H new ATOM 319 N GLN A 338 99.702 -4.165 -0.218 1.00 0.71 N ATOM 320 CA GLN A 338 99.601 -5.351 -1.115 1.00 0.91 C ATOM 321 C GLN A 338 98.796 -5.027 -2.376 1.00 0.94 C ATOM 322 O GLN A 338 99.217 -5.316 -3.478 1.00 1.06 O ATOM 323 CB GLN A 338 98.885 -6.411 -0.278 1.00 1.03 C ATOM 324 CG GLN A 338 99.780 -6.940 0.866 1.00 1.03 C ATOM 325 CD GLN A 338 101.128 -6.195 0.967 1.00 0.94 C ATOM 326 OE1 GLN A 338 101.935 -6.251 0.067 1.00 1.72 O ATOM 327 NE2 GLN A 338 101.406 -5.507 2.039 1.00 0.69 N ATOM 0 H GLN A 338 99.183 -4.238 0.657 1.00 0.71 H new ATOM 0 HA GLN A 338 100.581 -5.683 -1.459 1.00 0.91 H new ATOM 0 HB2 GLN A 338 97.972 -5.988 0.141 1.00 1.03 H new ATOM 0 HB3 GLN A 338 98.587 -7.240 -0.919 1.00 1.03 H new ATOM 0 HG2 GLN A 338 99.246 -6.845 1.812 1.00 1.03 H new ATOM 0 HG3 GLN A 338 99.968 -8.002 0.712 1.00 1.03 H new ATOM 0 HE21 GLN A 338 100.730 -5.456 2.801 1.00 0.69 H new ATOM 0 HE22 GLN A 338 102.299 -5.020 2.115 1.00 0.69 H new ATOM 336 N LEU A 339 97.609 -4.509 -2.232 1.00 0.86 N ATOM 337 CA LEU A 339 96.770 -4.271 -3.446 1.00 0.90 C ATOM 338 C LEU A 339 97.358 -3.138 -4.295 1.00 0.84 C ATOM 339 O LEU A 339 97.336 -3.191 -5.509 1.00 1.00 O ATOM 340 CB LEU A 339 95.363 -3.920 -2.947 1.00 0.80 C ATOM 341 CG LEU A 339 95.420 -2.922 -1.792 1.00 1.01 C ATOM 342 CD1 LEU A 339 94.742 -1.622 -2.222 1.00 1.34 C ATOM 343 CD2 LEU A 339 94.670 -3.512 -0.595 1.00 1.58 C ATOM 0 H LEU A 339 97.186 -4.243 -1.343 1.00 0.86 H new ATOM 0 HA LEU A 339 96.740 -5.154 -4.084 1.00 0.90 H new ATOM 0 HB2 LEU A 339 94.778 -3.500 -3.765 1.00 0.80 H new ATOM 0 HB3 LEU A 339 94.852 -4.827 -2.623 1.00 0.80 H new ATOM 0 HG LEU A 339 96.456 -2.721 -1.519 1.00 1.01 H new ATOM 0 HD11 LEU A 339 94.779 -0.904 -1.403 1.00 1.34 H new ATOM 0 HD12 LEU A 339 95.260 -1.211 -3.088 1.00 1.34 H new ATOM 0 HD13 LEU A 339 93.703 -1.823 -2.482 1.00 1.34 H new ATOM 0 HD21 LEU A 339 94.703 -2.809 0.237 1.00 1.58 H new ATOM 0 HD22 LEU A 339 93.632 -3.698 -0.872 1.00 1.58 H new ATOM 0 HD23 LEU A 339 95.140 -4.449 -0.297 1.00 1.58 H new ATOM 355 N ALA A 340 97.942 -2.148 -3.677 1.00 0.74 N ATOM 356 CA ALA A 340 98.594 -1.061 -4.461 1.00 0.93 C ATOM 357 C ALA A 340 99.798 -1.612 -5.229 1.00 1.36 C ATOM 358 O ALA A 340 100.296 -0.994 -6.149 1.00 2.24 O ATOM 359 CB ALA A 340 99.048 -0.039 -3.420 1.00 0.82 C ATOM 0 H ALA A 340 97.996 -2.045 -2.664 1.00 0.74 H new ATOM 0 HA ALA A 340 97.920 -0.623 -5.197 1.00 0.93 H new ATOM 0 HB1 ALA A 340 99.540 0.796 -3.920 1.00 0.82 H new ATOM 0 HB2 ALA A 340 98.182 0.327 -2.868 1.00 0.82 H new ATOM 0 HB3 ALA A 340 99.746 -0.510 -2.728 1.00 0.82 H new ATOM 365 N SER A 341 100.270 -2.771 -4.861 1.00 1.07 N ATOM 366 CA SER A 341 101.442 -3.358 -5.575 1.00 1.44 C ATOM 367 C SER A 341 100.981 -4.402 -6.600 1.00 1.51 C ATOM 368 O SER A 341 101.731 -4.809 -7.463 1.00 2.65 O ATOM 369 CB SER A 341 102.296 -4.003 -4.481 1.00 2.84 C ATOM 370 OG SER A 341 101.489 -4.880 -3.711 1.00 3.56 O ATOM 0 H SER A 341 99.897 -3.337 -4.099 1.00 1.07 H new ATOM 0 HA SER A 341 102.002 -2.606 -6.132 1.00 1.44 H new ATOM 0 HB2 SER A 341 103.125 -4.552 -4.927 1.00 2.84 H new ATOM 0 HB3 SER A 341 102.730 -3.234 -3.842 1.00 2.84 H new ATOM 0 HG SER A 341 100.626 -5.007 -4.157 1.00 3.56 H new ATOM 376 N LEU A 342 99.741 -4.799 -6.547 1.00 1.19 N ATOM 377 CA LEU A 342 99.231 -5.765 -7.561 1.00 2.40 C ATOM 378 C LEU A 342 99.380 -5.179 -8.966 1.00 2.59 C ATOM 379 O LEU A 342 99.401 -5.891 -9.951 1.00 3.62 O ATOM 380 CB LEU A 342 97.754 -5.957 -7.226 1.00 3.39 C ATOM 381 CG LEU A 342 97.622 -6.605 -5.850 1.00 3.93 C ATOM 382 CD1 LEU A 342 96.145 -6.862 -5.549 1.00 4.36 C ATOM 383 CD2 LEU A 342 98.381 -7.934 -5.840 1.00 3.74 C ATOM 0 H LEU A 342 99.060 -4.499 -5.849 1.00 1.19 H new ATOM 0 HA LEU A 342 99.780 -6.707 -7.541 1.00 2.40 H new ATOM 0 HB2 LEU A 342 97.240 -4.996 -7.237 1.00 3.39 H new ATOM 0 HB3 LEU A 342 97.278 -6.582 -7.981 1.00 3.39 H new ATOM 0 HG LEU A 342 98.038 -5.941 -5.093 1.00 3.93 H new ATOM 0 HD11 LEU A 342 96.049 -7.325 -4.567 1.00 4.36 H new ATOM 0 HD12 LEU A 342 95.602 -5.917 -5.560 1.00 4.36 H new ATOM 0 HD13 LEU A 342 95.730 -7.528 -6.306 1.00 4.36 H new ATOM 0 HD21 LEU A 342 98.288 -8.399 -4.858 1.00 3.74 H new ATOM 0 HD22 LEU A 342 97.963 -8.598 -6.597 1.00 3.74 H new ATOM 0 HD23 LEU A 342 99.434 -7.753 -6.058 1.00 3.74 H new ATOM 395 N ALA A 343 99.477 -3.882 -9.064 1.00 2.04 N ATOM 396 CA ALA A 343 99.617 -3.241 -10.401 1.00 2.90 C ATOM 397 C ALA A 343 101.082 -3.249 -10.855 1.00 2.34 C ATOM 398 O ALA A 343 101.373 -3.435 -12.020 1.00 2.96 O ATOM 399 CB ALA A 343 99.105 -1.813 -10.211 1.00 3.81 C ATOM 0 H ALA A 343 99.465 -3.237 -8.274 1.00 2.04 H new ATOM 0 HA ALA A 343 99.058 -3.771 -11.172 1.00 2.90 H new ATOM 0 HB1 ALA A 343 99.175 -1.273 -11.155 1.00 3.81 H new ATOM 0 HB2 ALA A 343 98.065 -1.840 -9.885 1.00 3.81 H new ATOM 0 HB3 ALA A 343 99.709 -1.307 -9.458 1.00 3.81 H new ATOM 405 N ASP A 344 102.011 -3.115 -9.946 1.00 1.46 N ATOM 406 CA ASP A 344 103.449 -3.191 -10.347 1.00 1.77 C ATOM 407 C ASP A 344 104.048 -4.543 -9.940 1.00 1.92 C ATOM 408 O ASP A 344 103.926 -4.978 -8.812 1.00 1.99 O ATOM 409 CB ASP A 344 104.144 -2.034 -9.621 1.00 1.69 C ATOM 410 CG ASP A 344 103.892 -2.123 -8.114 1.00 2.00 C ATOM 411 OD1 ASP A 344 103.243 -3.062 -7.694 1.00 1.89 O ATOM 412 OD2 ASP A 344 104.348 -1.240 -7.405 1.00 2.84 O ATOM 0 H ASP A 344 101.841 -2.958 -8.953 1.00 1.46 H new ATOM 0 HA ASP A 344 103.575 -3.110 -11.427 1.00 1.77 H new ATOM 0 HB2 ASP A 344 105.215 -2.063 -9.820 1.00 1.69 H new ATOM 0 HB3 ASP A 344 103.774 -1.082 -10.003 1.00 1.69 H new ATOM 417 N GLU A 345 104.659 -5.231 -10.867 1.00 2.10 N ATOM 418 CA GLU A 345 105.226 -6.575 -10.554 1.00 2.37 C ATOM 419 C GLU A 345 106.726 -6.470 -10.264 1.00 2.30 C ATOM 420 O GLU A 345 107.449 -7.443 -10.325 1.00 2.51 O ATOM 421 CB GLU A 345 104.981 -7.411 -11.811 1.00 2.66 C ATOM 422 CG GLU A 345 103.477 -7.503 -12.080 1.00 2.29 C ATOM 423 CD GLU A 345 103.229 -8.402 -13.292 1.00 2.60 C ATOM 424 OE1 GLU A 345 104.193 -8.758 -13.948 1.00 2.87 O ATOM 425 OE2 GLU A 345 102.077 -8.719 -13.543 1.00 2.99 O ATOM 0 H GLU A 345 104.790 -4.920 -11.829 1.00 2.10 H new ATOM 0 HA GLU A 345 104.766 -7.018 -9.671 1.00 2.37 H new ATOM 0 HB2 GLU A 345 105.487 -6.960 -12.665 1.00 2.66 H new ATOM 0 HB3 GLU A 345 105.400 -8.409 -11.684 1.00 2.66 H new ATOM 0 HG2 GLU A 345 102.964 -7.904 -11.206 1.00 2.29 H new ATOM 0 HG3 GLU A 345 103.068 -6.509 -12.261 1.00 2.29 H new ATOM 432 N THR A 346 107.201 -5.294 -9.960 1.00 2.06 N ATOM 433 CA THR A 346 108.656 -5.127 -9.681 1.00 2.06 C ATOM 434 C THR A 346 109.072 -6.023 -8.513 1.00 1.91 C ATOM 435 O THR A 346 108.241 -6.467 -7.746 1.00 1.73 O ATOM 436 CB THR A 346 108.824 -3.652 -9.315 1.00 2.02 C ATOM 437 OG1 THR A 346 108.040 -3.359 -8.168 1.00 1.96 O ATOM 438 CG2 THR A 346 108.367 -2.778 -10.485 1.00 2.07 C ATOM 0 H THR A 346 106.645 -4.441 -9.893 1.00 2.06 H new ATOM 0 HA THR A 346 109.276 -5.406 -10.533 1.00 2.06 H new ATOM 0 HB THR A 346 109.873 -3.448 -9.101 1.00 2.02 H new ATOM 0 HG1 THR A 346 108.148 -2.414 -7.931 1.00 1.96 H new ATOM 0 HG21 THR A 346 108.487 -1.727 -10.223 1.00 2.07 H new ATOM 0 HG22 THR A 346 108.970 -3.004 -11.365 1.00 2.07 H new ATOM 0 HG23 THR A 346 107.318 -2.980 -10.702 1.00 2.07 H new ATOM 446 N PRO A 347 110.349 -6.272 -8.427 1.00 2.03 N ATOM 447 CA PRO A 347 110.877 -7.143 -7.351 1.00 1.99 C ATOM 448 C PRO A 347 110.370 -6.665 -5.989 1.00 1.79 C ATOM 449 O PRO A 347 109.776 -7.413 -5.239 1.00 1.68 O ATOM 450 CB PRO A 347 112.391 -6.981 -7.459 1.00 2.25 C ATOM 451 CG PRO A 347 112.642 -6.502 -8.855 1.00 2.38 C ATOM 452 CD PRO A 347 111.406 -5.770 -9.310 1.00 2.29 C ATOM 0 HA PRO A 347 110.563 -8.182 -7.447 1.00 1.99 H new ATOM 0 HB2 PRO A 347 112.763 -6.265 -6.726 1.00 2.25 H new ATOM 0 HB3 PRO A 347 112.901 -7.925 -7.270 1.00 2.25 H new ATOM 0 HG2 PRO A 347 113.510 -5.844 -8.885 1.00 2.38 H new ATOM 0 HG3 PRO A 347 112.856 -7.342 -9.516 1.00 2.38 H new ATOM 0 HD2 PRO A 347 111.525 -4.691 -9.216 1.00 2.29 H new ATOM 0 HD3 PRO A 347 111.183 -5.977 -10.357 1.00 2.29 H new ATOM 460 N GLU A 348 110.585 -5.420 -5.667 1.00 1.76 N ATOM 461 CA GLU A 348 110.094 -4.899 -4.360 1.00 1.64 C ATOM 462 C GLU A 348 108.563 -4.896 -4.335 1.00 1.41 C ATOM 463 O GLU A 348 107.951 -5.125 -3.314 1.00 1.31 O ATOM 464 CB GLU A 348 110.640 -3.474 -4.271 1.00 1.72 C ATOM 465 CG GLU A 348 112.169 -3.519 -4.211 1.00 2.14 C ATOM 466 CD GLU A 348 112.715 -2.110 -3.976 1.00 2.49 C ATOM 467 OE1 GLU A 348 111.917 -1.188 -3.925 1.00 3.25 O ATOM 468 OE2 GLU A 348 113.920 -1.978 -3.847 1.00 2.49 O ATOM 0 H GLU A 348 111.077 -4.743 -6.249 1.00 1.76 H new ATOM 0 HA GLU A 348 110.422 -5.511 -3.520 1.00 1.64 H new ATOM 0 HB2 GLU A 348 110.316 -2.894 -5.135 1.00 1.72 H new ATOM 0 HB3 GLU A 348 110.245 -2.976 -3.386 1.00 1.72 H new ATOM 0 HG2 GLU A 348 112.492 -4.183 -3.410 1.00 2.14 H new ATOM 0 HG3 GLU A 348 112.568 -3.924 -5.141 1.00 2.14 H new ATOM 475 N GLY A 349 107.938 -4.621 -5.448 1.00 1.42 N ATOM 476 CA GLY A 349 106.446 -4.583 -5.478 1.00 1.30 C ATOM 477 C GLY A 349 105.881 -5.957 -5.113 1.00 1.23 C ATOM 478 O GLY A 349 104.973 -6.074 -4.312 1.00 1.23 O ATOM 0 H GLY A 349 108.395 -4.421 -6.338 1.00 1.42 H new ATOM 0 HA2 GLY A 349 106.079 -3.832 -4.778 1.00 1.30 H new ATOM 0 HA3 GLY A 349 106.101 -4.290 -6.470 1.00 1.30 H new ATOM 482 N ARG A 350 106.485 -7.006 -5.597 1.00 1.19 N ATOM 483 CA ARG A 350 106.052 -8.366 -5.166 1.00 1.15 C ATOM 484 C ARG A 350 106.625 -8.691 -3.785 1.00 1.06 C ATOM 485 O ARG A 350 106.004 -9.372 -2.998 1.00 0.94 O ATOM 486 CB ARG A 350 106.578 -9.336 -6.229 1.00 1.18 C ATOM 487 CG ARG A 350 108.106 -9.282 -6.288 1.00 1.81 C ATOM 488 CD ARG A 350 108.610 -10.284 -7.329 1.00 2.33 C ATOM 489 NE ARG A 350 110.092 -10.283 -7.179 1.00 2.77 N ATOM 490 CZ ARG A 350 110.846 -10.838 -8.091 1.00 3.16 C ATOM 491 NH1 ARG A 350 110.305 -11.399 -9.139 1.00 3.46 N ATOM 492 NH2 ARG A 350 112.144 -10.832 -7.954 1.00 3.62 N ATOM 0 H ARG A 350 107.254 -6.983 -6.267 1.00 1.19 H new ATOM 0 HA ARG A 350 104.968 -8.438 -5.080 1.00 1.15 H new ATOM 0 HB2 ARG A 350 106.252 -10.350 -5.999 1.00 1.18 H new ATOM 0 HB3 ARG A 350 106.160 -9.080 -7.203 1.00 1.18 H new ATOM 0 HG2 ARG A 350 108.436 -8.276 -6.546 1.00 1.81 H new ATOM 0 HG3 ARG A 350 108.527 -9.514 -5.310 1.00 1.81 H new ATOM 0 HD2 ARG A 350 108.196 -11.277 -7.154 1.00 2.33 H new ATOM 0 HD3 ARG A 350 108.315 -9.989 -8.336 1.00 2.33 H new ATOM 0 HE ARG A 350 110.520 -9.848 -6.362 1.00 2.77 H new ATOM 0 HH11 ARG A 350 109.291 -11.405 -9.248 1.00 3.46 H new ATOM 0 HH12 ARG A 350 110.897 -11.831 -9.849 1.00 3.46 H new ATOM 0 HH21 ARG A 350 112.568 -10.395 -7.136 1.00 3.62 H new ATOM 0 HH22 ARG A 350 112.734 -11.265 -8.665 1.00 3.62 H new ATOM 506 N SER A 351 107.733 -8.104 -3.429 1.00 1.15 N ATOM 507 CA SER A 351 108.236 -8.283 -2.037 1.00 1.10 C ATOM 508 C SER A 351 107.168 -7.821 -1.039 1.00 0.97 C ATOM 509 O SER A 351 106.867 -8.498 -0.079 1.00 0.87 O ATOM 510 CB SER A 351 109.478 -7.397 -1.944 1.00 1.25 C ATOM 511 OG SER A 351 110.408 -7.783 -2.949 1.00 2.40 O ATOM 0 H SER A 351 108.307 -7.515 -4.032 1.00 1.15 H new ATOM 0 HA SER A 351 108.466 -9.323 -1.807 1.00 1.10 H new ATOM 0 HB2 SER A 351 109.202 -6.350 -2.071 1.00 1.25 H new ATOM 0 HB3 SER A 351 109.932 -7.490 -0.957 1.00 1.25 H new ATOM 0 HG SER A 351 110.094 -7.469 -3.823 1.00 2.40 H new ATOM 517 N ILE A 352 106.563 -6.692 -1.287 1.00 1.00 N ATOM 518 CA ILE A 352 105.479 -6.199 -0.390 1.00 0.93 C ATOM 519 C ILE A 352 104.274 -7.155 -0.407 1.00 0.80 C ATOM 520 O ILE A 352 103.783 -7.558 0.632 1.00 0.70 O ATOM 521 CB ILE A 352 105.144 -4.815 -0.963 1.00 1.08 C ATOM 522 CG1 ILE A 352 106.027 -3.776 -0.275 1.00 1.16 C ATOM 523 CG2 ILE A 352 103.672 -4.451 -0.747 1.00 1.16 C ATOM 524 CD1 ILE A 352 105.960 -2.466 -1.049 1.00 1.39 C ATOM 0 H ILE A 352 106.775 -6.085 -2.079 1.00 1.00 H new ATOM 0 HA ILE A 352 105.771 -6.145 0.659 1.00 0.93 H new ATOM 0 HB ILE A 352 105.327 -4.833 -2.037 1.00 1.08 H new ATOM 0 HG12 ILE A 352 105.695 -3.622 0.752 1.00 1.16 H new ATOM 0 HG13 ILE A 352 107.056 -4.131 -0.227 1.00 1.16 H new ATOM 0 HG21 ILE A 352 103.476 -3.464 -1.167 1.00 1.16 H new ATOM 0 HG22 ILE A 352 103.039 -5.188 -1.241 1.00 1.16 H new ATOM 0 HG23 ILE A 352 103.452 -4.441 0.321 1.00 1.16 H new ATOM 0 HD11 ILE A 352 106.589 -1.722 -0.560 1.00 1.39 H new ATOM 0 HD12 ILE A 352 106.313 -2.627 -2.068 1.00 1.39 H new ATOM 0 HD13 ILE A 352 104.930 -2.110 -1.074 1.00 1.39 H new ATOM 536 N VAL A 353 103.771 -7.504 -1.563 1.00 0.86 N ATOM 537 CA VAL A 353 102.579 -8.408 -1.608 1.00 0.82 C ATOM 538 C VAL A 353 102.869 -9.712 -0.852 1.00 0.77 C ATOM 539 O VAL A 353 102.033 -10.224 -0.135 1.00 0.77 O ATOM 540 CB VAL A 353 102.341 -8.696 -3.091 1.00 0.97 C ATOM 541 CG1 VAL A 353 101.216 -9.724 -3.237 1.00 1.18 C ATOM 542 CG2 VAL A 353 101.938 -7.405 -3.805 1.00 1.10 C ATOM 0 H VAL A 353 104.129 -7.206 -2.471 1.00 0.86 H new ATOM 0 HA VAL A 353 101.707 -7.952 -1.138 1.00 0.82 H new ATOM 0 HB VAL A 353 103.257 -9.088 -3.534 1.00 0.97 H new ATOM 0 HG11 VAL A 353 101.046 -9.930 -4.294 1.00 1.18 H new ATOM 0 HG12 VAL A 353 101.498 -10.646 -2.729 1.00 1.18 H new ATOM 0 HG13 VAL A 353 100.302 -9.329 -2.793 1.00 1.18 H new ATOM 0 HG21 VAL A 353 101.769 -7.611 -4.862 1.00 1.10 H new ATOM 0 HG22 VAL A 353 101.023 -7.014 -3.360 1.00 1.10 H new ATOM 0 HG23 VAL A 353 102.735 -6.668 -3.702 1.00 1.10 H new ATOM 552 N ILE A 354 104.102 -10.132 -0.844 1.00 0.79 N ATOM 553 CA ILE A 354 104.499 -11.260 0.050 1.00 0.84 C ATOM 554 C ILE A 354 104.432 -10.827 1.512 1.00 0.72 C ATOM 555 O ILE A 354 103.997 -11.567 2.367 1.00 0.77 O ATOM 556 CB ILE A 354 105.936 -11.575 -0.339 1.00 0.97 C ATOM 557 CG1 ILE A 354 105.986 -11.984 -1.813 1.00 1.21 C ATOM 558 CG2 ILE A 354 106.464 -12.714 0.536 1.00 1.11 C ATOM 559 CD1 ILE A 354 107.423 -11.878 -2.328 1.00 1.36 C ATOM 0 H ILE A 354 104.853 -9.745 -1.416 1.00 0.79 H new ATOM 0 HA ILE A 354 103.841 -12.123 -0.057 1.00 0.84 H new ATOM 0 HB ILE A 354 106.558 -10.692 -0.190 1.00 0.97 H new ATOM 0 HG12 ILE A 354 105.622 -13.005 -1.930 1.00 1.21 H new ATOM 0 HG13 ILE A 354 105.330 -11.342 -2.401 1.00 1.21 H new ATOM 0 HG21 ILE A 354 107.493 -12.940 0.257 1.00 1.11 H new ATOM 0 HG22 ILE A 354 106.429 -12.414 1.583 1.00 1.11 H new ATOM 0 HG23 ILE A 354 105.846 -13.600 0.391 1.00 1.11 H new ATOM 0 HD11 ILE A 354 107.456 -12.170 -3.378 1.00 1.36 H new ATOM 0 HD12 ILE A 354 107.771 -10.850 -2.226 1.00 1.36 H new ATOM 0 HD13 ILE A 354 108.067 -12.538 -1.748 1.00 1.36 H new ATOM 571 N LEU A 355 104.964 -9.685 1.819 1.00 0.63 N ATOM 572 CA LEU A 355 105.047 -9.264 3.248 1.00 0.62 C ATOM 573 C LEU A 355 103.701 -9.482 3.947 1.00 0.55 C ATOM 574 O LEU A 355 103.613 -10.177 4.939 1.00 0.61 O ATOM 575 CB LEU A 355 105.376 -7.776 3.190 1.00 0.64 C ATOM 576 CG LEU A 355 105.510 -7.221 4.610 1.00 0.73 C ATOM 577 CD1 LEU A 355 106.598 -7.991 5.360 1.00 1.14 C ATOM 578 CD2 LEU A 355 105.893 -5.740 4.542 1.00 1.15 C ATOM 0 H LEU A 355 105.347 -9.020 1.147 1.00 0.63 H new ATOM 0 HA LEU A 355 105.790 -9.834 3.806 1.00 0.62 H new ATOM 0 HB2 LEU A 355 106.304 -7.620 2.639 1.00 0.64 H new ATOM 0 HB3 LEU A 355 104.593 -7.241 2.653 1.00 0.64 H new ATOM 0 HG LEU A 355 104.560 -7.331 5.134 1.00 0.73 H new ATOM 0 HD11 LEU A 355 106.693 -7.595 6.371 1.00 1.14 H new ATOM 0 HD12 LEU A 355 106.330 -9.046 5.407 1.00 1.14 H new ATOM 0 HD13 LEU A 355 107.548 -7.881 4.837 1.00 1.14 H new ATOM 0 HD21 LEU A 355 105.989 -5.342 5.552 1.00 1.15 H new ATOM 0 HD22 LEU A 355 106.843 -5.634 4.018 1.00 1.15 H new ATOM 0 HD23 LEU A 355 105.120 -5.188 4.007 1.00 1.15 H new ATOM 590 N ALA A 356 102.641 -8.955 3.403 1.00 0.52 N ATOM 591 CA ALA A 356 101.302 -9.209 4.013 1.00 0.54 C ATOM 592 C ALA A 356 100.949 -10.695 3.889 1.00 0.53 C ATOM 593 O ALA A 356 100.320 -11.278 4.753 1.00 0.57 O ATOM 594 CB ALA A 356 100.324 -8.354 3.205 1.00 0.61 C ATOM 0 H ALA A 356 102.640 -8.365 2.571 1.00 0.52 H new ATOM 0 HA ALA A 356 101.274 -8.958 5.073 1.00 0.54 H new ATOM 0 HB1 ALA A 356 99.315 -8.488 3.595 1.00 0.61 H new ATOM 0 HB2 ALA A 356 100.607 -7.304 3.284 1.00 0.61 H new ATOM 0 HB3 ALA A 356 100.352 -8.660 2.159 1.00 0.61 H new ATOM 600 N LYS A 357 101.313 -11.309 2.799 1.00 0.57 N ATOM 601 CA LYS A 357 100.947 -12.741 2.614 1.00 0.68 C ATOM 602 C LYS A 357 101.410 -13.570 3.813 1.00 0.79 C ATOM 603 O LYS A 357 100.636 -14.264 4.430 1.00 0.93 O ATOM 604 CB LYS A 357 101.679 -13.189 1.355 1.00 0.88 C ATOM 605 CG LYS A 357 101.381 -14.668 1.121 1.00 0.97 C ATOM 606 CD LYS A 357 100.025 -14.814 0.428 1.00 1.16 C ATOM 607 CE LYS A 357 99.765 -16.290 0.120 1.00 0.90 C ATOM 608 NZ LYS A 357 99.255 -16.864 1.397 1.00 1.15 N ATOM 0 H LYS A 357 101.842 -10.888 2.036 1.00 0.57 H new ATOM 0 HA LYS A 357 99.868 -12.872 2.528 1.00 0.68 H new ATOM 0 HB2 LYS A 357 101.356 -12.597 0.498 1.00 0.88 H new ATOM 0 HB3 LYS A 357 102.752 -13.032 1.465 1.00 0.88 H new ATOM 0 HG2 LYS A 357 102.164 -15.115 0.508 1.00 0.97 H new ATOM 0 HG3 LYS A 357 101.375 -15.203 2.071 1.00 0.97 H new ATOM 0 HD2 LYS A 357 99.234 -14.420 1.066 1.00 1.16 H new ATOM 0 HD3 LYS A 357 100.011 -14.231 -0.493 1.00 1.16 H new ATOM 0 HE2 LYS A 357 99.037 -16.404 -0.683 1.00 0.90 H new ATOM 0 HE3 LYS A 357 100.677 -16.793 -0.203 1.00 0.90 H new ATOM 0 HZ1 LYS A 357 98.926 -17.837 1.233 1.00 1.15 H new ATOM 0 HZ2 LYS A 357 100.018 -16.871 2.104 1.00 1.15 H new ATOM 0 HZ3 LYS A 357 98.464 -16.286 1.746 1.00 1.15 H new ATOM 622 N GLN A 358 102.665 -13.519 4.144 1.00 0.80 N ATOM 623 CA GLN A 358 103.150 -14.322 5.301 1.00 1.01 C ATOM 624 C GLN A 358 102.537 -13.790 6.600 1.00 1.05 C ATOM 625 O GLN A 358 102.207 -14.542 7.496 1.00 1.25 O ATOM 626 CB GLN A 358 104.671 -14.147 5.297 1.00 1.03 C ATOM 627 CG GLN A 358 105.021 -12.672 5.484 1.00 0.99 C ATOM 628 CD GLN A 358 106.521 -12.472 5.260 1.00 1.21 C ATOM 629 OE1 GLN A 358 106.973 -12.397 4.135 1.00 1.62 O ATOM 630 NE2 GLN A 358 107.317 -12.382 6.289 1.00 1.90 N ATOM 0 H GLN A 358 103.375 -12.961 3.669 1.00 0.80 H new ATOM 0 HA GLN A 358 102.869 -15.373 5.229 1.00 1.01 H new ATOM 0 HB2 GLN A 358 105.117 -14.740 6.095 1.00 1.03 H new ATOM 0 HB3 GLN A 358 105.086 -14.513 4.358 1.00 1.03 H new ATOM 0 HG2 GLN A 358 104.453 -12.061 4.783 1.00 0.99 H new ATOM 0 HG3 GLN A 358 104.745 -12.346 6.487 1.00 0.99 H new ATOM 0 HE21 GLN A 358 106.938 -12.445 7.234 1.00 1.90 H new ATOM 0 HE22 GLN A 358 108.319 -12.249 6.149 1.00 1.90 H new ATOM 639 N ARG A 359 102.430 -12.495 6.727 1.00 0.93 N ATOM 640 CA ARG A 359 101.894 -11.905 7.990 1.00 1.10 C ATOM 641 C ARG A 359 100.395 -12.194 8.154 1.00 1.09 C ATOM 642 O ARG A 359 99.924 -12.430 9.248 1.00 1.55 O ATOM 643 CB ARG A 359 102.129 -10.400 7.852 1.00 1.08 C ATOM 644 CG ARG A 359 103.629 -10.119 7.747 1.00 1.26 C ATOM 645 CD ARG A 359 104.318 -10.504 9.059 1.00 1.27 C ATOM 646 NE ARG A 359 103.762 -9.567 10.075 1.00 1.47 N ATOM 647 CZ ARG A 359 104.361 -9.414 11.226 1.00 1.98 C ATOM 648 NH1 ARG A 359 105.454 -10.079 11.493 1.00 2.63 N ATOM 649 NH2 ARG A 359 103.868 -8.592 12.112 1.00 2.38 N ATOM 0 H ARG A 359 102.691 -11.818 6.010 1.00 0.93 H new ATOM 0 HA ARG A 359 102.384 -12.329 8.866 1.00 1.10 H new ATOM 0 HB2 ARG A 359 101.616 -10.022 6.968 1.00 1.08 H new ATOM 0 HB3 ARG A 359 101.711 -9.877 8.712 1.00 1.08 H new ATOM 0 HG2 ARG A 359 104.058 -10.685 6.920 1.00 1.26 H new ATOM 0 HG3 ARG A 359 103.797 -9.064 7.532 1.00 1.26 H new ATOM 0 HD2 ARG A 359 104.112 -11.541 9.324 1.00 1.27 H new ATOM 0 HD3 ARG A 359 105.401 -10.404 8.981 1.00 1.27 H new ATOM 0 HE ARG A 359 102.911 -9.043 9.871 1.00 1.47 H new ATOM 0 HH11 ARG A 359 105.843 -10.720 10.802 1.00 2.63 H new ATOM 0 HH12 ARG A 359 105.919 -9.957 12.393 1.00 2.63 H new ATOM 0 HH21 ARG A 359 103.016 -8.070 11.905 1.00 2.38 H new ATOM 0 HH22 ARG A 359 104.334 -8.471 13.011 1.00 2.38 H new ATOM 663 N PHE A 360 99.625 -12.115 7.096 1.00 0.70 N ATOM 664 CA PHE A 360 98.153 -12.317 7.245 1.00 0.74 C ATOM 665 C PHE A 360 97.714 -13.558 6.475 1.00 0.74 C ATOM 666 O PHE A 360 96.609 -14.040 6.625 1.00 1.09 O ATOM 667 CB PHE A 360 97.510 -11.066 6.649 1.00 0.85 C ATOM 668 CG PHE A 360 97.942 -9.852 7.436 1.00 1.28 C ATOM 669 CD1 PHE A 360 97.264 -9.500 8.611 1.00 2.03 C ATOM 670 CD2 PHE A 360 99.022 -9.077 6.990 1.00 1.78 C ATOM 671 CE1 PHE A 360 97.665 -8.372 9.341 1.00 3.03 C ATOM 672 CE2 PHE A 360 99.423 -7.949 7.719 1.00 2.74 C ATOM 673 CZ PHE A 360 98.745 -7.596 8.895 1.00 3.32 C ATOM 0 H PHE A 360 99.948 -11.922 6.148 1.00 0.70 H new ATOM 0 HA PHE A 360 97.863 -12.464 8.285 1.00 0.74 H new ATOM 0 HB2 PHE A 360 97.801 -10.957 5.604 1.00 0.85 H new ATOM 0 HB3 PHE A 360 96.424 -11.158 6.669 1.00 0.85 H new ATOM 0 HD1 PHE A 360 96.433 -10.098 8.954 1.00 2.03 H new ATOM 0 HD2 PHE A 360 99.545 -9.349 6.085 1.00 1.78 H new ATOM 0 HE1 PHE A 360 97.142 -8.101 10.246 1.00 3.03 H new ATOM 0 HE2 PHE A 360 100.254 -7.351 7.375 1.00 2.74 H new ATOM 0 HZ PHE A 360 99.054 -6.727 9.457 1.00 3.32 H new ATOM 683 N ASN A 361 98.555 -14.043 5.614 1.00 0.72 N ATOM 684 CA ASN A 361 98.174 -15.216 4.780 1.00 0.77 C ATOM 685 C ASN A 361 96.955 -14.881 3.930 1.00 0.91 C ATOM 686 O ASN A 361 95.967 -15.588 3.922 1.00 1.34 O ATOM 687 CB ASN A 361 97.854 -16.314 5.790 1.00 0.79 C ATOM 688 CG ASN A 361 97.908 -17.678 5.100 1.00 1.27 C ATOM 689 OD1 ASN A 361 98.947 -18.087 4.619 1.00 1.68 O ATOM 690 ND2 ASN A 361 96.827 -18.404 5.028 1.00 1.90 N ATOM 0 H ASN A 361 99.493 -13.679 5.449 1.00 0.72 H new ATOM 0 HA ASN A 361 98.960 -15.516 4.087 1.00 0.77 H new ATOM 0 HB2 ASN A 361 98.567 -16.283 6.614 1.00 0.79 H new ATOM 0 HB3 ASN A 361 96.865 -16.151 6.218 1.00 0.79 H new ATOM 0 HD21 ASN A 361 96.854 -19.314 4.568 1.00 1.90 H new ATOM 0 HD22 ASN A 361 95.955 -18.062 5.431 1.00 1.90 H new ATOM 697 N LEU A 362 97.010 -13.777 3.245 1.00 0.88 N ATOM 698 CA LEU A 362 95.851 -13.341 2.420 1.00 1.13 C ATOM 699 C LEU A 362 96.195 -13.471 0.932 1.00 1.12 C ATOM 700 O LEU A 362 97.285 -13.870 0.574 1.00 1.73 O ATOM 701 CB LEU A 362 95.639 -11.878 2.800 1.00 1.68 C ATOM 702 CG LEU A 362 95.681 -11.744 4.322 1.00 2.21 C ATOM 703 CD1 LEU A 362 95.608 -10.264 4.705 1.00 2.65 C ATOM 704 CD2 LEU A 362 94.488 -12.486 4.927 1.00 2.80 C ATOM 0 H LEU A 362 97.815 -13.151 3.220 1.00 0.88 H new ATOM 0 HA LEU A 362 94.958 -13.941 2.593 1.00 1.13 H new ATOM 0 HB2 LEU A 362 96.411 -11.256 2.347 1.00 1.68 H new ATOM 0 HB3 LEU A 362 94.681 -11.526 2.418 1.00 1.68 H new ATOM 0 HG LEU A 362 96.609 -12.172 4.702 1.00 2.21 H new ATOM 0 HD11 LEU A 362 95.638 -10.167 5.790 1.00 2.65 H new ATOM 0 HD12 LEU A 362 96.455 -9.733 4.270 1.00 2.65 H new ATOM 0 HD13 LEU A 362 94.679 -9.836 4.328 1.00 2.65 H new ATOM 0 HD21 LEU A 362 94.514 -12.393 6.013 1.00 2.80 H new ATOM 0 HD22 LEU A 362 93.561 -12.055 4.548 1.00 2.80 H new ATOM 0 HD23 LEU A 362 94.537 -13.540 4.652 1.00 2.80 H new ATOM 716 N ARG A 363 95.275 -13.155 0.060 1.00 1.10 N ATOM 717 CA ARG A 363 95.563 -13.284 -1.396 1.00 1.09 C ATOM 718 C ARG A 363 95.452 -11.918 -2.079 1.00 0.86 C ATOM 719 O ARG A 363 94.674 -11.075 -1.677 1.00 1.03 O ATOM 720 CB ARG A 363 94.487 -14.231 -1.921 1.00 1.21 C ATOM 721 CG ARG A 363 93.136 -13.514 -1.920 1.00 2.11 C ATOM 722 CD ARG A 363 92.019 -14.525 -2.184 1.00 2.74 C ATOM 723 NE ARG A 363 90.778 -13.707 -2.297 1.00 3.36 N ATOM 724 CZ ARG A 363 90.248 -13.167 -1.232 1.00 3.92 C ATOM 725 NH1 ARG A 363 90.799 -13.341 -0.060 1.00 4.21 N ATOM 726 NH2 ARG A 363 89.163 -12.449 -1.338 1.00 4.40 N ATOM 0 H ARG A 363 94.342 -12.815 0.292 1.00 1.10 H new ATOM 0 HA ARG A 363 96.569 -13.655 -1.590 1.00 1.09 H new ATOM 0 HB2 ARG A 363 94.736 -14.559 -2.930 1.00 1.21 H new ATOM 0 HB3 ARG A 363 94.438 -15.124 -1.298 1.00 1.21 H new ATOM 0 HG2 ARG A 363 92.975 -13.021 -0.961 1.00 2.11 H new ATOM 0 HG3 ARG A 363 93.125 -12.737 -2.684 1.00 2.11 H new ATOM 0 HD2 ARG A 363 92.205 -15.089 -3.098 1.00 2.74 H new ATOM 0 HD3 ARG A 363 91.942 -15.249 -1.373 1.00 2.74 H new ATOM 0 HE ARG A 363 90.341 -13.568 -3.208 1.00 3.36 H new ATOM 0 HH11 ARG A 363 91.647 -13.901 0.027 1.00 4.21 H new ATOM 0 HH12 ARG A 363 90.381 -12.917 0.768 1.00 4.21 H new ATOM 0 HH21 ARG A 363 88.730 -12.310 -2.251 1.00 4.40 H new ATOM 0 HH22 ARG A 363 88.748 -12.027 -0.508 1.00 4.40 H new ATOM 740 N GLU A 364 96.176 -11.719 -3.144 1.00 0.74 N ATOM 741 CA GLU A 364 96.057 -10.437 -3.896 1.00 0.86 C ATOM 742 C GLU A 364 94.600 -10.211 -4.301 1.00 1.02 C ATOM 743 O GLU A 364 93.863 -11.149 -4.533 1.00 0.95 O ATOM 744 CB GLU A 364 96.935 -10.621 -5.134 1.00 0.96 C ATOM 745 CG GLU A 364 98.383 -10.861 -4.705 1.00 1.26 C ATOM 746 CD GLU A 364 99.271 -10.969 -5.947 1.00 1.69 C ATOM 747 OE1 GLU A 364 98.726 -11.021 -7.037 1.00 2.21 O ATOM 748 OE2 GLU A 364 100.479 -10.997 -5.786 1.00 2.24 O ATOM 0 H GLU A 364 96.845 -12.387 -3.527 1.00 0.74 H new ATOM 0 HA GLU A 364 96.366 -9.575 -3.305 1.00 0.86 H new ATOM 0 HB2 GLU A 364 96.576 -11.464 -5.725 1.00 0.96 H new ATOM 0 HB3 GLU A 364 96.875 -9.737 -5.769 1.00 0.96 H new ATOM 0 HG2 GLU A 364 98.726 -10.044 -4.070 1.00 1.26 H new ATOM 0 HG3 GLU A 364 98.452 -11.775 -4.115 1.00 1.26 H new ATOM 755 N ARG A 365 94.175 -8.982 -4.402 1.00 1.36 N ATOM 756 CA ARG A 365 92.763 -8.730 -4.810 1.00 1.73 C ATOM 757 C ARG A 365 92.696 -8.429 -6.305 1.00 1.59 C ATOM 758 O ARG A 365 93.448 -7.626 -6.823 1.00 1.56 O ATOM 759 CB ARG A 365 92.311 -7.517 -3.996 1.00 1.83 C ATOM 760 CG ARG A 365 92.336 -7.861 -2.506 1.00 2.15 C ATOM 761 CD ARG A 365 91.646 -6.747 -1.714 1.00 2.41 C ATOM 762 NE ARG A 365 92.277 -5.486 -2.195 1.00 3.18 N ATOM 763 CZ ARG A 365 91.675 -4.339 -2.013 1.00 3.60 C ATOM 764 NH1 ARG A 365 90.522 -4.290 -1.403 1.00 4.16 N ATOM 765 NH2 ARG A 365 92.229 -3.239 -2.445 1.00 3.72 N ATOM 0 H ARG A 365 94.736 -8.149 -4.222 1.00 1.36 H new ATOM 0 HA ARG A 365 92.124 -9.594 -4.628 1.00 1.73 H new ATOM 0 HB2 ARG A 365 92.966 -6.669 -4.195 1.00 1.83 H new ATOM 0 HB3 ARG A 365 91.305 -7.220 -4.294 1.00 1.83 H new ATOM 0 HG2 ARG A 365 91.831 -8.811 -2.333 1.00 2.15 H new ATOM 0 HG3 ARG A 365 93.365 -7.980 -2.166 1.00 2.15 H new ATOM 0 HD2 ARG A 365 90.571 -6.743 -1.892 1.00 2.41 H new ATOM 0 HD3 ARG A 365 91.791 -6.877 -0.642 1.00 2.41 H new ATOM 0 HE ARG A 365 93.181 -5.517 -2.667 1.00 3.18 H new ATOM 0 HH11 ARG A 365 90.087 -5.149 -1.066 1.00 4.16 H new ATOM 0 HH12 ARG A 365 90.057 -3.393 -1.263 1.00 4.16 H new ATOM 0 HH21 ARG A 365 93.129 -3.275 -2.923 1.00 3.72 H new ATOM 0 HH22 ARG A 365 91.762 -2.343 -2.304 1.00 3.72 H new ATOM 779 N ASP A 366 91.797 -9.063 -7.004 1.00 1.70 N ATOM 780 CA ASP A 366 91.678 -8.807 -8.464 1.00 1.93 C ATOM 781 C ASP A 366 91.067 -7.428 -8.702 1.00 2.04 C ATOM 782 O ASP A 366 89.945 -7.157 -8.319 1.00 2.65 O ATOM 783 CB ASP A 366 90.751 -9.907 -8.981 1.00 2.62 C ATOM 784 CG ASP A 366 91.465 -11.258 -8.894 1.00 2.50 C ATOM 785 OD1 ASP A 366 92.661 -11.260 -8.655 1.00 2.50 O ATOM 786 OD2 ASP A 366 90.802 -12.267 -9.067 1.00 2.86 O ATOM 0 H ASP A 366 91.140 -9.747 -6.627 1.00 1.70 H new ATOM 0 HA ASP A 366 92.642 -8.819 -8.972 1.00 1.93 H new ATOM 0 HB2 ASP A 366 89.833 -9.930 -8.393 1.00 2.62 H new ATOM 0 HB3 ASP A 366 90.464 -9.701 -10.012 1.00 2.62 H new ATOM 791 N VAL A 367 91.797 -6.556 -9.334 1.00 1.75 N ATOM 792 CA VAL A 367 91.266 -5.194 -9.605 1.00 2.31 C ATOM 793 C VAL A 367 90.127 -5.261 -10.626 1.00 2.53 C ATOM 794 O VAL A 367 89.111 -4.613 -10.478 1.00 3.04 O ATOM 795 CB VAL A 367 92.459 -4.421 -10.168 1.00 2.28 C ATOM 796 CG1 VAL A 367 91.987 -3.087 -10.741 1.00 2.89 C ATOM 797 CG2 VAL A 367 93.476 -4.165 -9.051 1.00 2.52 C ATOM 0 H VAL A 367 92.742 -6.728 -9.676 1.00 1.75 H new ATOM 0 HA VAL A 367 90.855 -4.719 -8.714 1.00 2.31 H new ATOM 0 HB VAL A 367 92.926 -5.008 -10.959 1.00 2.28 H new ATOM 0 HG11 VAL A 367 92.841 -2.540 -11.141 1.00 2.89 H new ATOM 0 HG12 VAL A 367 91.266 -3.268 -11.539 1.00 2.89 H new ATOM 0 HG13 VAL A 367 91.516 -2.499 -9.953 1.00 2.89 H new ATOM 0 HG21 VAL A 367 94.326 -3.614 -9.453 1.00 2.52 H new ATOM 0 HG22 VAL A 367 93.007 -3.582 -8.259 1.00 2.52 H new ATOM 0 HG23 VAL A 367 93.819 -5.117 -8.646 1.00 2.52 H new ATOM 807 N GLN A 368 90.303 -6.005 -11.685 1.00 2.20 N ATOM 808 CA GLN A 368 89.246 -6.065 -12.738 1.00 2.40 C ATOM 809 C GLN A 368 88.058 -6.917 -12.280 1.00 2.11 C ATOM 810 O GLN A 368 86.939 -6.702 -12.702 1.00 2.30 O ATOM 811 CB GLN A 368 89.917 -6.696 -13.955 1.00 2.46 C ATOM 812 CG GLN A 368 88.960 -6.621 -15.146 1.00 3.09 C ATOM 813 CD GLN A 368 89.660 -7.148 -16.400 1.00 3.29 C ATOM 814 OE1 GLN A 368 90.846 -7.410 -16.383 1.00 3.32 O ATOM 815 NE2 GLN A 368 88.970 -7.318 -17.494 1.00 3.69 N ATOM 0 H GLN A 368 91.131 -6.573 -11.867 1.00 2.20 H new ATOM 0 HA GLN A 368 88.849 -5.074 -12.958 1.00 2.40 H new ATOM 0 HB2 GLN A 368 90.846 -6.175 -14.185 1.00 2.46 H new ATOM 0 HB3 GLN A 368 90.177 -7.734 -13.746 1.00 2.46 H new ATOM 0 HG2 GLN A 368 88.064 -7.208 -14.943 1.00 3.09 H new ATOM 0 HG3 GLN A 368 88.638 -5.592 -15.302 1.00 3.09 H new ATOM 0 HE21 GLN A 368 87.974 -7.098 -17.508 1.00 3.69 H new ATOM 0 HE22 GLN A 368 89.426 -7.671 -18.335 1.00 3.69 H new ATOM 824 N SER A 369 88.251 -7.749 -11.295 1.00 1.80 N ATOM 825 CA SER A 369 87.078 -8.441 -10.683 1.00 1.87 C ATOM 826 C SER A 369 86.282 -7.442 -9.845 1.00 1.79 C ATOM 827 O SER A 369 85.069 -7.486 -9.793 1.00 2.27 O ATOM 828 CB SER A 369 87.662 -9.550 -9.814 1.00 2.47 C ATOM 829 OG SER A 369 86.604 -10.249 -9.169 1.00 3.05 O ATOM 0 H SER A 369 89.158 -7.979 -10.890 1.00 1.80 H new ATOM 0 HA SER A 369 86.397 -8.852 -11.428 1.00 1.87 H new ATOM 0 HB2 SER A 369 88.247 -10.237 -10.426 1.00 2.47 H new ATOM 0 HB3 SER A 369 88.340 -9.128 -9.072 1.00 2.47 H new ATOM 0 HG SER A 369 86.976 -10.963 -8.611 1.00 3.05 H new ATOM 835 N LEU A 370 86.947 -6.453 -9.323 1.00 1.38 N ATOM 836 CA LEU A 370 86.227 -5.343 -8.642 1.00 1.39 C ATOM 837 C LEU A 370 85.883 -4.251 -9.657 1.00 1.12 C ATOM 838 O LEU A 370 85.506 -3.155 -9.292 1.00 1.30 O ATOM 839 CB LEU A 370 87.222 -4.819 -7.608 1.00 1.54 C ATOM 840 CG LEU A 370 87.724 -5.981 -6.753 1.00 1.39 C ATOM 841 CD1 LEU A 370 88.936 -5.529 -5.938 1.00 1.80 C ATOM 842 CD2 LEU A 370 86.611 -6.429 -5.804 1.00 2.14 C ATOM 0 H LEU A 370 87.963 -6.364 -9.338 1.00 1.38 H new ATOM 0 HA LEU A 370 85.290 -5.663 -8.185 1.00 1.39 H new ATOM 0 HB2 LEU A 370 88.060 -4.332 -8.107 1.00 1.54 H new ATOM 0 HB3 LEU A 370 86.746 -4.068 -6.977 1.00 1.54 H new ATOM 0 HG LEU A 370 88.011 -6.811 -7.399 1.00 1.39 H new ATOM 0 HD11 LEU A 370 89.294 -6.358 -5.328 1.00 1.80 H new ATOM 0 HD12 LEU A 370 89.729 -5.206 -6.613 1.00 1.80 H new ATOM 0 HD13 LEU A 370 88.651 -4.699 -5.291 1.00 1.80 H new ATOM 0 HD21 LEU A 370 86.966 -7.258 -5.192 1.00 2.14 H new ATOM 0 HD22 LEU A 370 86.327 -5.598 -5.159 1.00 2.14 H new ATOM 0 HD23 LEU A 370 85.746 -6.750 -6.384 1.00 2.14 H new ATOM 854 N HIS A 371 86.165 -4.487 -10.912 1.00 1.29 N ATOM 855 CA HIS A 371 86.022 -3.397 -11.918 1.00 1.13 C ATOM 856 C HIS A 371 86.901 -2.225 -11.499 1.00 1.00 C ATOM 857 O HIS A 371 86.658 -1.084 -11.840 1.00 1.35 O ATOM 858 CB HIS A 371 84.550 -3.003 -11.873 1.00 1.54 C ATOM 859 CG HIS A 371 83.695 -4.229 -12.036 1.00 1.50 C ATOM 860 ND1 HIS A 371 83.550 -4.872 -13.255 1.00 1.97 N ATOM 861 CD2 HIS A 371 82.933 -4.942 -11.143 1.00 1.80 C ATOM 862 CE1 HIS A 371 82.729 -5.922 -13.064 1.00 2.10 C ATOM 863 NE2 HIS A 371 82.324 -6.010 -11.795 1.00 1.80 N ATOM 0 H HIS A 371 86.486 -5.382 -11.281 1.00 1.29 H new ATOM 0 HA HIS A 371 86.322 -3.700 -12.921 1.00 1.13 H new ATOM 0 HB2 HIS A 371 84.323 -2.512 -10.927 1.00 1.54 H new ATOM 0 HB3 HIS A 371 84.331 -2.286 -12.664 1.00 1.54 H new ATOM 0 HD2 HIS A 371 82.823 -4.709 -10.094 1.00 1.80 H new ATOM 0 HE1 HIS A 371 82.434 -6.610 -13.843 1.00 2.10 H new ATOM 0 HE2 HIS A 371 81.702 -6.710 -11.390 1.00 1.80 H new ATOM 871 N ALA A 372 87.932 -2.517 -10.765 1.00 0.75 N ATOM 872 CA ALA A 372 88.866 -1.455 -10.307 1.00 0.94 C ATOM 873 C ALA A 372 89.968 -1.231 -11.350 1.00 0.90 C ATOM 874 O ALA A 372 89.856 -1.637 -12.489 1.00 1.04 O ATOM 875 CB ALA A 372 89.460 -1.990 -9.005 1.00 1.12 C ATOM 0 H ALA A 372 88.172 -3.460 -10.458 1.00 0.75 H new ATOM 0 HA ALA A 372 88.366 -0.497 -10.165 1.00 0.94 H new ATOM 0 HB1 ALA A 372 90.163 -1.262 -8.600 1.00 1.12 H new ATOM 0 HB2 ALA A 372 88.661 -2.162 -8.284 1.00 1.12 H new ATOM 0 HB3 ALA A 372 89.980 -2.928 -9.201 1.00 1.12 H new ATOM 881 N THR A 373 91.005 -0.543 -10.970 1.00 0.85 N ATOM 882 CA THR A 373 92.104 -0.225 -11.928 1.00 0.95 C ATOM 883 C THR A 373 93.468 -0.395 -11.254 1.00 0.93 C ATOM 884 O THR A 373 93.668 0.025 -10.138 1.00 0.95 O ATOM 885 CB THR A 373 91.891 1.239 -12.299 1.00 1.32 C ATOM 886 OG1 THR A 373 90.676 1.376 -13.021 1.00 2.11 O ATOM 887 CG2 THR A 373 93.062 1.733 -13.150 1.00 1.90 C ATOM 0 H THR A 373 91.142 -0.182 -10.026 1.00 0.85 H new ATOM 0 HA THR A 373 92.089 -0.883 -12.797 1.00 0.95 H new ATOM 0 HB THR A 373 91.836 1.837 -11.389 1.00 1.32 H new ATOM 0 HG1 THR A 373 90.540 2.317 -13.257 1.00 2.11 H new ATOM 0 HG21 THR A 373 92.905 2.779 -13.412 1.00 1.90 H new ATOM 0 HG22 THR A 373 93.989 1.636 -12.585 1.00 1.90 H new ATOM 0 HG23 THR A 373 93.128 1.137 -14.060 1.00 1.90 H new ATOM 895 N PHE A 374 94.440 -0.865 -11.977 1.00 1.01 N ATOM 896 CA PHE A 374 95.829 -0.890 -11.426 1.00 1.25 C ATOM 897 C PHE A 374 96.522 0.448 -11.717 1.00 1.63 C ATOM 898 O PHE A 374 96.383 1.002 -12.790 1.00 1.61 O ATOM 899 CB PHE A 374 96.547 -2.006 -12.194 1.00 1.33 C ATOM 900 CG PHE A 374 96.024 -3.363 -11.785 1.00 1.63 C ATOM 901 CD1 PHE A 374 96.334 -3.888 -10.522 1.00 1.41 C ATOM 902 CD2 PHE A 374 95.243 -4.107 -12.682 1.00 2.53 C ATOM 903 CE1 PHE A 374 95.861 -5.156 -10.156 1.00 1.89 C ATOM 904 CE2 PHE A 374 94.773 -5.375 -12.315 1.00 3.09 C ATOM 905 CZ PHE A 374 95.081 -5.900 -11.052 1.00 2.72 C ATOM 0 H PHE A 374 94.339 -1.233 -12.923 1.00 1.01 H new ATOM 0 HA PHE A 374 95.839 -1.054 -10.348 1.00 1.25 H new ATOM 0 HB2 PHE A 374 96.406 -1.865 -13.266 1.00 1.33 H new ATOM 0 HB3 PHE A 374 97.619 -1.952 -12.004 1.00 1.33 H new ATOM 0 HD1 PHE A 374 96.937 -3.316 -9.832 1.00 1.41 H new ATOM 0 HD2 PHE A 374 95.004 -3.703 -13.655 1.00 2.53 H new ATOM 0 HE1 PHE A 374 96.098 -5.560 -9.183 1.00 1.89 H new ATOM 0 HE2 PHE A 374 94.173 -5.949 -13.006 1.00 3.09 H new ATOM 0 HZ PHE A 374 94.718 -6.877 -10.770 1.00 2.72 H new ATOM 915 N VAL A 375 97.369 0.901 -10.836 1.00 2.14 N ATOM 916 CA VAL A 375 98.182 2.115 -11.146 1.00 2.61 C ATOM 917 C VAL A 375 99.657 1.727 -11.280 1.00 2.22 C ATOM 918 O VAL A 375 100.281 1.335 -10.314 1.00 1.65 O ATOM 919 CB VAL A 375 97.986 3.051 -9.956 1.00 3.32 C ATOM 920 CG1 VAL A 375 98.580 4.421 -10.282 1.00 4.00 C ATOM 921 CG2 VAL A 375 96.491 3.199 -9.663 1.00 3.65 C ATOM 0 H VAL A 375 97.535 0.487 -9.918 1.00 2.14 H new ATOM 0 HA VAL A 375 97.880 2.586 -12.081 1.00 2.61 H new ATOM 0 HB VAL A 375 98.488 2.636 -9.082 1.00 3.32 H new ATOM 0 HG11 VAL A 375 98.440 5.090 -9.433 1.00 4.00 H new ATOM 0 HG12 VAL A 375 99.645 4.316 -10.490 1.00 4.00 H new ATOM 0 HG13 VAL A 375 98.079 4.836 -11.157 1.00 4.00 H new ATOM 0 HG21 VAL A 375 96.351 3.867 -8.813 1.00 3.65 H new ATOM 0 HG22 VAL A 375 95.988 3.613 -10.537 1.00 3.65 H new ATOM 0 HG23 VAL A 375 96.067 2.222 -9.430 1.00 3.65 H new ATOM 931 N PRO A 376 100.136 1.761 -12.495 1.00 2.87 N ATOM 932 CA PRO A 376 101.517 1.303 -12.787 1.00 2.67 C ATOM 933 C PRO A 376 102.534 2.025 -11.896 1.00 2.48 C ATOM 934 O PRO A 376 102.352 3.167 -11.520 1.00 3.24 O ATOM 935 CB PRO A 376 101.734 1.662 -14.260 1.00 3.84 C ATOM 936 CG PRO A 376 100.567 2.516 -14.658 1.00 4.63 C ATOM 937 CD PRO A 376 99.448 2.227 -13.698 1.00 4.03 C ATOM 0 HA PRO A 376 101.649 0.238 -12.594 1.00 2.67 H new ATOM 0 HB2 PRO A 376 102.673 2.198 -14.396 1.00 3.84 H new ATOM 0 HB3 PRO A 376 101.788 0.764 -14.876 1.00 3.84 H new ATOM 0 HG2 PRO A 376 100.836 3.572 -14.627 1.00 4.63 H new ATOM 0 HG3 PRO A 376 100.261 2.295 -15.681 1.00 4.63 H new ATOM 0 HD2 PRO A 376 98.851 3.117 -13.499 1.00 4.03 H new ATOM 0 HD3 PRO A 376 98.769 1.470 -14.090 1.00 4.03 H new ATOM 945 N PHE A 377 103.622 1.372 -11.594 1.00 2.13 N ATOM 946 CA PHE A 377 104.687 2.013 -10.767 1.00 3.07 C ATOM 947 C PHE A 377 105.730 2.665 -11.679 1.00 3.61 C ATOM 948 O PHE A 377 106.347 2.014 -12.497 1.00 4.10 O ATOM 949 CB PHE A 377 105.303 0.849 -9.977 1.00 3.15 C ATOM 950 CG PHE A 377 106.506 1.321 -9.187 1.00 3.91 C ATOM 951 CD1 PHE A 377 106.740 2.690 -8.998 1.00 4.01 C ATOM 952 CD2 PHE A 377 107.402 0.380 -8.658 1.00 4.73 C ATOM 953 CE1 PHE A 377 107.863 3.118 -8.281 1.00 4.92 C ATOM 954 CE2 PHE A 377 108.529 0.810 -7.945 1.00 5.70 C ATOM 955 CZ PHE A 377 108.759 2.178 -7.755 1.00 5.79 C ATOM 0 H PHE A 377 103.822 0.415 -11.886 1.00 2.13 H new ATOM 0 HA PHE A 377 104.307 2.798 -10.113 1.00 3.07 H new ATOM 0 HB2 PHE A 377 104.559 0.427 -9.301 1.00 3.15 H new ATOM 0 HB3 PHE A 377 105.599 0.054 -10.661 1.00 3.15 H new ATOM 0 HD1 PHE A 377 106.052 3.416 -9.406 1.00 4.01 H new ATOM 0 HD2 PHE A 377 107.223 -0.676 -8.800 1.00 4.73 H new ATOM 0 HE1 PHE A 377 108.039 4.173 -8.133 1.00 4.92 H new ATOM 0 HE2 PHE A 377 109.221 0.086 -7.542 1.00 5.70 H new ATOM 0 HZ PHE A 377 109.627 2.508 -7.203 1.00 5.79 H new ATOM 965 N THR A 378 105.949 3.942 -11.522 1.00 3.85 N ATOM 966 CA THR A 378 106.976 4.629 -12.356 1.00 4.47 C ATOM 967 C THR A 378 108.153 5.062 -11.483 1.00 4.28 C ATOM 968 O THR A 378 107.985 5.417 -10.333 1.00 3.71 O ATOM 969 CB THR A 378 106.262 5.850 -12.938 1.00 4.59 C ATOM 970 OG1 THR A 378 106.042 6.804 -11.908 1.00 4.26 O ATOM 971 CG2 THR A 378 104.920 5.424 -13.537 1.00 5.29 C ATOM 0 H THR A 378 105.462 4.539 -10.853 1.00 3.85 H new ATOM 0 HA THR A 378 107.377 3.983 -13.137 1.00 4.47 H new ATOM 0 HB THR A 378 106.880 6.293 -13.719 1.00 4.59 H new ATOM 0 HG1 THR A 378 105.586 7.588 -12.280 1.00 4.26 H new ATOM 0 HG21 THR A 378 104.413 6.296 -13.951 1.00 5.29 H new ATOM 0 HG22 THR A 378 105.090 4.694 -14.328 1.00 5.29 H new ATOM 0 HG23 THR A 378 104.299 4.979 -12.759 1.00 5.29 H new ATOM 979 N ALA A 379 109.345 4.996 -12.012 1.00 5.01 N ATOM 980 CA ALA A 379 110.546 5.360 -11.207 1.00 5.10 C ATOM 981 C ALA A 379 110.673 6.881 -11.087 1.00 5.05 C ATOM 982 O ALA A 379 111.271 7.389 -10.160 1.00 5.37 O ATOM 983 CB ALA A 379 111.730 4.783 -11.983 1.00 6.13 C ATOM 0 H ALA A 379 109.539 4.705 -12.970 1.00 5.01 H new ATOM 0 HA ALA A 379 110.492 4.970 -10.191 1.00 5.10 H new ATOM 0 HB1 ALA A 379 112.656 5.009 -11.454 1.00 6.13 H new ATOM 0 HB2 ALA A 379 111.616 3.702 -12.070 1.00 6.13 H new ATOM 0 HB3 ALA A 379 111.763 5.226 -12.978 1.00 6.13 H new ATOM 989 N GLN A 380 110.182 7.609 -12.053 1.00 4.87 N ATOM 990 CA GLN A 380 110.356 9.090 -12.019 1.00 4.93 C ATOM 991 C GLN A 380 109.752 9.660 -10.734 1.00 4.05 C ATOM 992 O GLN A 380 110.393 10.392 -10.006 1.00 3.84 O ATOM 993 CB GLN A 380 109.600 9.606 -13.243 1.00 5.65 C ATOM 994 CG GLN A 380 110.257 9.067 -14.515 1.00 6.07 C ATOM 995 CD GLN A 380 109.571 9.672 -15.741 1.00 7.03 C ATOM 996 OE1 GLN A 380 109.829 10.804 -16.100 1.00 7.74 O ATOM 997 NE2 GLN A 380 108.701 8.960 -16.404 1.00 7.22 N ATOM 0 H GLN A 380 109.672 7.246 -12.858 1.00 4.87 H new ATOM 0 HA GLN A 380 111.405 9.385 -12.036 1.00 4.93 H new ATOM 0 HB2 GLN A 380 108.557 9.291 -13.199 1.00 5.65 H new ATOM 0 HB3 GLN A 380 109.604 10.696 -13.253 1.00 5.65 H new ATOM 0 HG2 GLN A 380 111.319 9.314 -14.521 1.00 6.07 H new ATOM 0 HG3 GLN A 380 110.182 7.980 -14.543 1.00 6.07 H new ATOM 0 HE21 GLN A 380 108.484 8.010 -16.103 1.00 7.22 H new ATOM 0 HE22 GLN A 380 108.238 9.354 -17.223 1.00 7.22 H new ATOM 1006 N SER A 381 108.565 9.241 -10.394 1.00 3.64 N ATOM 1007 CA SER A 381 107.972 9.659 -9.093 1.00 3.06 C ATOM 1008 C SER A 381 108.309 8.629 -8.016 1.00 2.42 C ATOM 1009 O SER A 381 108.169 8.885 -6.838 1.00 3.00 O ATOM 1010 CB SER A 381 106.465 9.702 -9.341 1.00 3.49 C ATOM 1011 OG SER A 381 106.181 10.671 -10.342 1.00 3.82 O ATOM 0 H SER A 381 107.980 8.627 -10.961 1.00 3.64 H new ATOM 0 HA SER A 381 108.354 10.621 -8.750 1.00 3.06 H new ATOM 0 HB2 SER A 381 106.109 8.721 -9.656 1.00 3.49 H new ATOM 0 HB3 SER A 381 105.940 9.950 -8.419 1.00 3.49 H new ATOM 0 HG SER A 381 105.215 10.700 -10.505 1.00 3.82 H new ATOM 1017 N ARG A 382 108.667 7.439 -8.422 1.00 1.65 N ATOM 1018 CA ARG A 382 108.916 6.344 -7.439 1.00 1.74 C ATOM 1019 C ARG A 382 107.608 5.985 -6.725 1.00 1.57 C ATOM 1020 O ARG A 382 107.511 6.074 -5.517 1.00 2.08 O ATOM 1021 CB ARG A 382 109.932 6.908 -6.442 1.00 2.53 C ATOM 1022 CG ARG A 382 111.075 7.583 -7.201 1.00 2.69 C ATOM 1023 CD ARG A 382 112.176 7.985 -6.216 1.00 2.89 C ATOM 1024 NE ARG A 382 113.141 8.781 -7.026 1.00 3.36 N ATOM 1025 CZ ARG A 382 112.857 10.010 -7.367 1.00 3.67 C ATOM 1026 NH1 ARG A 382 111.724 10.549 -7.003 1.00 3.72 N ATOM 1027 NH2 ARG A 382 113.708 10.700 -8.076 1.00 4.25 N ATOM 0 H ARG A 382 108.798 7.177 -9.399 1.00 1.65 H new ATOM 0 HA ARG A 382 109.288 5.438 -7.917 1.00 1.74 H new ATOM 0 HB2 ARG A 382 109.447 7.626 -5.780 1.00 2.53 H new ATOM 0 HB3 ARG A 382 110.322 6.108 -5.813 1.00 2.53 H new ATOM 0 HG2 ARG A 382 111.476 6.905 -7.954 1.00 2.69 H new ATOM 0 HG3 ARG A 382 110.706 8.462 -7.729 1.00 2.69 H new ATOM 0 HD2 ARG A 382 111.773 8.573 -5.391 1.00 2.89 H new ATOM 0 HD3 ARG A 382 112.655 7.109 -5.779 1.00 2.89 H new ATOM 0 HE ARG A 382 114.026 8.365 -7.315 1.00 3.36 H new ATOM 0 HH11 ARG A 382 111.057 10.010 -6.450 1.00 3.72 H new ATOM 0 HH12 ARG A 382 111.506 11.509 -7.271 1.00 3.72 H new ATOM 0 HH21 ARG A 382 114.592 10.280 -8.363 1.00 4.25 H new ATOM 0 HH22 ARG A 382 113.489 11.660 -8.344 1.00 4.25 H new ATOM 1041 N MET A 383 106.575 5.666 -7.464 1.00 1.27 N ATOM 1042 CA MET A 383 105.258 5.411 -6.807 1.00 1.19 C ATOM 1043 C MET A 383 104.410 4.435 -7.621 1.00 1.07 C ATOM 1044 O MET A 383 104.364 4.491 -8.835 1.00 1.14 O ATOM 1045 CB MET A 383 104.570 6.773 -6.749 1.00 1.32 C ATOM 1046 CG MET A 383 105.434 7.753 -5.960 1.00 1.51 C ATOM 1047 SD MET A 383 104.533 9.307 -5.734 1.00 2.09 S ATOM 1048 CE MET A 383 103.346 8.704 -4.509 1.00 1.57 C ATOM 0 H MET A 383 106.585 5.572 -8.480 1.00 1.27 H new ATOM 0 HA MET A 383 105.389 4.964 -5.821 1.00 1.19 H new ATOM 0 HB2 MET A 383 104.404 7.151 -7.758 1.00 1.32 H new ATOM 0 HB3 MET A 383 103.591 6.677 -6.280 1.00 1.32 H new ATOM 0 HG2 MET A 383 105.694 7.327 -4.991 1.00 1.51 H new ATOM 0 HG3 MET A 383 106.370 7.936 -6.488 1.00 1.51 H new ATOM 0 HE1 MET A 383 102.337 8.770 -4.916 1.00 1.57 H new ATOM 0 HE2 MET A 383 103.571 7.666 -4.265 1.00 1.57 H new ATOM 0 HE3 MET A 383 103.414 9.312 -3.607 1.00 1.57 H new ATOM 1058 N SER A 384 103.601 3.680 -6.940 1.00 0.97 N ATOM 1059 CA SER A 384 102.580 2.840 -7.618 1.00 1.02 C ATOM 1060 C SER A 384 101.319 2.831 -6.758 1.00 0.93 C ATOM 1061 O SER A 384 101.319 3.335 -5.656 1.00 0.83 O ATOM 1062 CB SER A 384 103.200 1.447 -7.685 1.00 1.23 C ATOM 1063 OG SER A 384 102.963 0.770 -6.457 1.00 1.18 O ATOM 0 H SER A 384 103.604 3.608 -5.923 1.00 0.97 H new ATOM 0 HA SER A 384 102.308 3.199 -8.611 1.00 1.02 H new ATOM 0 HB2 SER A 384 102.770 0.884 -8.513 1.00 1.23 H new ATOM 0 HB3 SER A 384 104.271 1.521 -7.872 1.00 1.23 H new ATOM 0 HG SER A 384 103.564 -0.001 -6.387 1.00 1.18 H new ATOM 1069 N GLY A 385 100.237 2.304 -7.247 1.00 1.02 N ATOM 1070 CA GLY A 385 98.990 2.326 -6.433 1.00 1.00 C ATOM 1071 C GLY A 385 97.896 1.535 -7.132 1.00 0.95 C ATOM 1072 O GLY A 385 98.126 0.826 -8.090 1.00 1.13 O ATOM 0 H GLY A 385 100.158 1.863 -8.163 1.00 1.02 H new ATOM 0 HA2 GLY A 385 99.182 1.903 -5.447 1.00 1.00 H new ATOM 0 HA3 GLY A 385 98.664 3.355 -6.280 1.00 1.00 H new ATOM 1076 N ILE A 386 96.701 1.675 -6.660 1.00 0.80 N ATOM 1077 CA ILE A 386 95.556 0.970 -7.278 1.00 0.78 C ATOM 1078 C ILE A 386 94.289 1.787 -7.054 1.00 0.77 C ATOM 1079 O ILE A 386 94.133 2.439 -6.045 1.00 0.80 O ATOM 1080 CB ILE A 386 95.483 -0.365 -6.544 1.00 0.81 C ATOM 1081 CG1 ILE A 386 94.152 -1.048 -6.838 1.00 0.86 C ATOM 1082 CG2 ILE A 386 95.601 -0.140 -5.038 1.00 0.84 C ATOM 1083 CD1 ILE A 386 94.131 -2.383 -6.105 1.00 1.26 C ATOM 0 H ILE A 386 96.463 2.258 -5.858 1.00 0.80 H new ATOM 0 HA ILE A 386 95.664 0.829 -8.353 1.00 0.78 H new ATOM 0 HB ILE A 386 96.304 -0.995 -6.886 1.00 0.81 H new ATOM 0 HG12 ILE A 386 93.322 -0.421 -6.511 1.00 0.86 H new ATOM 0 HG13 ILE A 386 94.032 -1.201 -7.910 1.00 0.86 H new ATOM 0 HG21 ILE A 386 95.548 -1.098 -4.522 1.00 0.84 H new ATOM 0 HG22 ILE A 386 96.554 0.340 -4.815 1.00 0.84 H new ATOM 0 HG23 ILE A 386 94.785 0.500 -4.701 1.00 0.84 H new ATOM 0 HD11 ILE A 386 93.187 -2.891 -6.301 1.00 1.26 H new ATOM 0 HD12 ILE A 386 94.956 -3.003 -6.455 1.00 1.26 H new ATOM 0 HD13 ILE A 386 94.235 -2.212 -5.034 1.00 1.26 H new ATOM 1095 N ASN A 387 93.359 1.705 -7.949 1.00 0.78 N ATOM 1096 CA ASN A 387 92.073 2.418 -7.745 1.00 0.83 C ATOM 1097 C ASN A 387 90.945 1.398 -7.743 1.00 0.92 C ATOM 1098 O ASN A 387 90.958 0.460 -8.506 1.00 0.86 O ATOM 1099 CB ASN A 387 91.932 3.362 -8.942 1.00 0.91 C ATOM 1100 CG ASN A 387 93.271 4.044 -9.222 1.00 1.31 C ATOM 1101 OD1 ASN A 387 93.589 4.342 -10.356 1.00 2.04 O ATOM 1102 ND2 ASN A 387 94.074 4.303 -8.230 1.00 1.81 N ATOM 0 H ASN A 387 93.430 1.174 -8.817 1.00 0.78 H new ATOM 0 HA ASN A 387 92.040 2.966 -6.803 1.00 0.83 H new ATOM 0 HB2 ASN A 387 91.606 2.805 -9.820 1.00 0.91 H new ATOM 0 HB3 ASN A 387 91.167 4.111 -8.738 1.00 0.91 H new ATOM 0 HD21 ASN A 387 94.971 4.756 -8.405 1.00 1.81 H new ATOM 0 HD22 ASN A 387 93.806 4.052 -7.278 1.00 1.81 H new ATOM 1109 N ILE A 388 89.939 1.589 -6.952 1.00 1.18 N ATOM 1110 CA ILE A 388 88.800 0.637 -7.001 1.00 1.31 C ATOM 1111 C ILE A 388 87.490 1.370 -6.748 1.00 1.70 C ATOM 1112 O ILE A 388 87.478 2.526 -6.374 1.00 1.89 O ATOM 1113 CB ILE A 388 89.083 -0.380 -5.903 1.00 1.24 C ATOM 1114 CG1 ILE A 388 87.959 -1.415 -5.859 1.00 1.66 C ATOM 1115 CG2 ILE A 388 89.162 0.340 -4.563 1.00 1.50 C ATOM 1116 CD1 ILE A 388 88.529 -2.754 -5.398 1.00 2.11 C ATOM 0 H ILE A 388 89.851 2.351 -6.280 1.00 1.18 H new ATOM 0 HA ILE A 388 88.703 0.156 -7.974 1.00 1.31 H new ATOM 0 HB ILE A 388 90.028 -0.884 -6.107 1.00 1.24 H new ATOM 0 HG12 ILE A 388 87.173 -1.087 -5.179 1.00 1.66 H new ATOM 0 HG13 ILE A 388 87.505 -1.519 -6.845 1.00 1.66 H new ATOM 0 HG21 ILE A 388 89.364 -0.383 -3.773 1.00 1.50 H new ATOM 0 HG22 ILE A 388 89.963 1.078 -4.593 1.00 1.50 H new ATOM 0 HG23 ILE A 388 88.215 0.841 -4.363 1.00 1.50 H new ATOM 0 HD11 ILE A 388 87.732 -3.497 -5.365 1.00 2.11 H new ATOM 0 HD12 ILE A 388 89.300 -3.081 -6.096 1.00 2.11 H new ATOM 0 HD13 ILE A 388 88.963 -2.642 -4.404 1.00 2.11 H new ATOM 1128 N ASP A 389 86.392 0.751 -7.072 1.00 1.97 N ATOM 1129 CA ASP A 389 85.078 1.453 -7.010 1.00 2.37 C ATOM 1130 C ASP A 389 84.683 1.892 -5.584 1.00 2.14 C ATOM 1131 O ASP A 389 83.612 2.432 -5.387 1.00 2.92 O ATOM 1132 CB ASP A 389 84.092 0.407 -7.519 1.00 2.65 C ATOM 1133 CG ASP A 389 84.265 0.230 -9.028 1.00 3.31 C ATOM 1134 OD1 ASP A 389 84.991 1.014 -9.618 1.00 3.63 O ATOM 1135 OD2 ASP A 389 83.669 -0.688 -9.570 1.00 3.85 O ATOM 0 H ASP A 389 86.346 -0.220 -7.380 1.00 1.97 H new ATOM 0 HA ASP A 389 85.100 2.376 -7.590 1.00 2.37 H new ATOM 0 HB2 ASP A 389 84.258 -0.542 -7.010 1.00 2.65 H new ATOM 0 HB3 ASP A 389 83.071 0.715 -7.294 1.00 2.65 H new ATOM 1140 N ASN A 390 85.547 1.773 -4.608 1.00 1.20 N ATOM 1141 CA ASN A 390 85.202 2.306 -3.257 1.00 1.12 C ATOM 1142 C ASN A 390 86.436 2.900 -2.557 1.00 0.97 C ATOM 1143 O ASN A 390 86.379 3.249 -1.394 1.00 1.15 O ATOM 1144 CB ASN A 390 84.680 1.097 -2.482 1.00 1.13 C ATOM 1145 CG ASN A 390 83.950 1.573 -1.225 1.00 1.53 C ATOM 1146 OD1 ASN A 390 82.963 2.277 -1.309 1.00 2.33 O ATOM 1147 ND2 ASN A 390 84.396 1.215 -0.051 1.00 1.89 N ATOM 0 H ASN A 390 86.465 1.335 -4.686 1.00 1.20 H new ATOM 0 HA ASN A 390 84.470 3.112 -3.318 1.00 1.12 H new ATOM 0 HB2 ASN A 390 84.005 0.514 -3.108 1.00 1.13 H new ATOM 0 HB3 ASN A 390 85.507 0.442 -2.209 1.00 1.13 H new ATOM 0 HD21 ASN A 390 83.916 1.526 0.794 1.00 1.89 H new ATOM 0 HD22 ASN A 390 85.224 0.624 0.021 1.00 1.89 H new ATOM 1154 N ARG A 391 87.579 2.908 -3.199 1.00 0.83 N ATOM 1155 CA ARG A 391 88.817 3.347 -2.491 1.00 0.73 C ATOM 1156 C ARG A 391 89.880 3.818 -3.486 1.00 0.74 C ATOM 1157 O ARG A 391 89.966 3.320 -4.588 1.00 1.10 O ATOM 1158 CB ARG A 391 89.315 2.106 -1.746 1.00 0.94 C ATOM 1159 CG ARG A 391 88.305 1.702 -0.670 1.00 1.05 C ATOM 1160 CD ARG A 391 88.911 0.604 0.208 1.00 1.30 C ATOM 1161 NE ARG A 391 87.789 0.137 1.069 1.00 1.92 N ATOM 1162 CZ ARG A 391 88.034 -0.559 2.148 1.00 2.13 C ATOM 1163 NH1 ARG A 391 89.264 -0.849 2.480 1.00 2.15 N ATOM 1164 NH2 ARG A 391 87.045 -0.967 2.897 1.00 2.69 N ATOM 0 H ARG A 391 87.706 2.632 -4.173 1.00 0.83 H new ATOM 0 HA ARG A 391 88.617 4.184 -1.821 1.00 0.73 H new ATOM 0 HB2 ARG A 391 89.460 1.284 -2.447 1.00 0.94 H new ATOM 0 HB3 ARG A 391 90.283 2.310 -1.289 1.00 0.94 H new ATOM 0 HG2 ARG A 391 88.041 2.566 -0.061 1.00 1.05 H new ATOM 0 HG3 ARG A 391 87.385 1.346 -1.134 1.00 1.05 H new ATOM 0 HD2 ARG A 391 89.310 -0.210 -0.397 1.00 1.30 H new ATOM 0 HD3 ARG A 391 89.736 0.989 0.808 1.00 1.30 H new ATOM 0 HE ARG A 391 86.827 0.361 0.816 1.00 1.92 H new ATOM 0 HH11 ARG A 391 90.038 -0.532 1.896 1.00 2.15 H new ATOM 0 HH12 ARG A 391 89.450 -1.392 3.323 1.00 2.15 H new ATOM 0 HH21 ARG A 391 86.084 -0.742 2.640 1.00 2.69 H new ATOM 0 HH22 ARG A 391 87.234 -1.510 3.739 1.00 2.69 H new ATOM 1178 N MET A 392 90.833 4.572 -3.015 1.00 0.48 N ATOM 1179 CA MET A 392 92.050 4.828 -3.838 1.00 0.51 C ATOM 1180 C MET A 392 93.296 4.548 -2.989 1.00 0.48 C ATOM 1181 O MET A 392 93.326 4.847 -1.812 1.00 0.52 O ATOM 1182 CB MET A 392 91.974 6.306 -4.223 1.00 0.59 C ATOM 1183 CG MET A 392 90.670 6.571 -4.976 1.00 1.14 C ATOM 1184 SD MET A 392 90.558 5.461 -6.401 1.00 1.31 S ATOM 1185 CE MET A 392 92.025 6.061 -7.274 1.00 2.02 C ATOM 0 H MET A 392 90.823 5.021 -2.099 1.00 0.48 H new ATOM 0 HA MET A 392 92.105 4.194 -4.723 1.00 0.51 H new ATOM 0 HB2 MET A 392 92.023 6.928 -3.330 1.00 0.59 H new ATOM 0 HB3 MET A 392 92.827 6.575 -4.846 1.00 0.59 H new ATOM 0 HG2 MET A 392 89.818 6.417 -4.314 1.00 1.14 H new ATOM 0 HG3 MET A 392 90.633 7.609 -5.307 1.00 1.14 H new ATOM 0 HE1 MET A 392 91.906 5.891 -8.344 1.00 2.02 H new ATOM 0 HE2 MET A 392 92.149 7.128 -7.087 1.00 2.02 H new ATOM 0 HE3 MET A 392 92.905 5.526 -6.917 1.00 2.02 H new ATOM 1195 N ILE A 393 94.315 3.957 -3.555 1.00 0.45 N ATOM 1196 CA ILE A 393 95.525 3.647 -2.744 1.00 0.45 C ATOM 1197 C ILE A 393 96.780 4.144 -3.463 1.00 0.50 C ATOM 1198 O ILE A 393 96.931 3.961 -4.654 1.00 0.60 O ATOM 1199 CB ILE A 393 95.527 2.122 -2.612 1.00 0.43 C ATOM 1200 CG1 ILE A 393 94.185 1.670 -2.032 1.00 1.21 C ATOM 1201 CG2 ILE A 393 96.663 1.686 -1.680 1.00 0.98 C ATOM 1202 CD1 ILE A 393 94.117 2.032 -0.549 1.00 1.68 C ATOM 0 H ILE A 393 94.361 3.678 -4.535 1.00 0.45 H new ATOM 0 HA ILE A 393 95.515 4.134 -1.769 1.00 0.45 H new ATOM 0 HB ILE A 393 95.676 1.669 -3.592 1.00 0.43 H new ATOM 0 HG12 ILE A 393 93.366 2.147 -2.571 1.00 1.21 H new ATOM 0 HG13 ILE A 393 94.067 0.594 -2.159 1.00 1.21 H new ATOM 0 HG21 ILE A 393 96.662 0.600 -1.588 1.00 0.98 H new ATOM 0 HG22 ILE A 393 97.617 2.014 -2.092 1.00 0.98 H new ATOM 0 HG23 ILE A 393 96.519 2.133 -0.697 1.00 0.98 H new ATOM 0 HD11 ILE A 393 93.160 1.709 -0.139 1.00 1.68 H new ATOM 0 HD12 ILE A 393 94.927 1.535 -0.016 1.00 1.68 H new ATOM 0 HD13 ILE A 393 94.215 3.111 -0.433 1.00 1.68 H new ATOM 1214 N ARG A 394 97.708 4.711 -2.740 1.00 0.63 N ATOM 1215 CA ARG A 394 98.983 5.153 -3.379 1.00 0.72 C ATOM 1216 C ARG A 394 100.173 4.835 -2.467 1.00 0.60 C ATOM 1217 O ARG A 394 100.060 4.827 -1.262 1.00 0.54 O ATOM 1218 CB ARG A 394 98.832 6.663 -3.566 1.00 0.78 C ATOM 1219 CG ARG A 394 97.651 6.946 -4.496 1.00 1.27 C ATOM 1220 CD ARG A 394 98.014 6.535 -5.925 1.00 1.04 C ATOM 1221 NE ARG A 394 96.863 6.984 -6.757 1.00 1.47 N ATOM 1222 CZ ARG A 394 97.012 7.168 -8.042 1.00 1.92 C ATOM 1223 NH1 ARG A 394 98.168 6.953 -8.610 1.00 2.78 N ATOM 1224 NH2 ARG A 394 95.999 7.566 -8.762 1.00 2.09 N ATOM 0 H ARG A 394 97.640 4.887 -1.738 1.00 0.63 H new ATOM 0 HA ARG A 394 99.168 4.645 -4.325 1.00 0.72 H new ATOM 0 HB2 ARG A 394 98.673 7.146 -2.602 1.00 0.78 H new ATOM 0 HB3 ARG A 394 99.747 7.082 -3.985 1.00 0.78 H new ATOM 0 HG2 ARG A 394 96.771 6.397 -4.161 1.00 1.27 H new ATOM 0 HG3 ARG A 394 97.396 8.005 -4.465 1.00 1.27 H new ATOM 0 HD2 ARG A 394 98.942 7.006 -6.248 1.00 1.04 H new ATOM 0 HD3 ARG A 394 98.160 5.458 -6.001 1.00 1.04 H new ATOM 0 HE ARG A 394 95.955 7.148 -6.322 1.00 1.47 H new ATOM 0 HH11 ARG A 394 98.961 6.640 -8.050 1.00 2.78 H new ATOM 0 HH12 ARG A 394 98.278 7.098 -9.614 1.00 2.78 H new ATOM 0 HH21 ARG A 394 95.094 7.733 -8.321 1.00 2.09 H new ATOM 0 HH22 ARG A 394 96.112 7.711 -9.765 1.00 2.09 H new ATOM 1238 N LYS A 395 101.290 4.502 -3.047 1.00 0.63 N ATOM 1239 CA LYS A 395 102.477 4.095 -2.240 1.00 0.58 C ATOM 1240 C LYS A 395 103.757 4.454 -2.997 1.00 0.60 C ATOM 1241 O LYS A 395 103.805 4.375 -4.204 1.00 0.68 O ATOM 1242 CB LYS A 395 102.346 2.582 -2.116 1.00 0.72 C ATOM 1243 CG LYS A 395 103.523 2.011 -1.332 1.00 0.80 C ATOM 1244 CD LYS A 395 104.427 1.281 -2.313 1.00 1.11 C ATOM 1245 CE LYS A 395 105.871 1.299 -1.813 1.00 1.15 C ATOM 1246 NZ LYS A 395 106.548 0.174 -2.521 1.00 1.57 N ATOM 0 H LYS A 395 101.435 4.494 -4.057 1.00 0.63 H new ATOM 0 HA LYS A 395 102.523 4.589 -1.269 1.00 0.58 H new ATOM 0 HB2 LYS A 395 101.411 2.331 -1.615 1.00 0.72 H new ATOM 0 HB3 LYS A 395 102.308 2.131 -3.108 1.00 0.72 H new ATOM 0 HG2 LYS A 395 104.070 2.809 -0.830 1.00 0.80 H new ATOM 0 HG3 LYS A 395 103.171 1.330 -0.558 1.00 0.80 H new ATOM 0 HD2 LYS A 395 104.089 0.252 -2.434 1.00 1.11 H new ATOM 0 HD3 LYS A 395 104.368 1.753 -3.294 1.00 1.11 H new ATOM 0 HE2 LYS A 395 106.353 2.251 -2.037 1.00 1.15 H new ATOM 0 HE3 LYS A 395 105.914 1.166 -0.732 1.00 1.15 H new ATOM 0 HZ1 LYS A 395 106.762 -0.585 -1.842 1.00 1.57 H new ATOM 0 HZ2 LYS A 395 105.922 -0.194 -3.266 1.00 1.57 H new ATOM 0 HZ3 LYS A 395 107.432 0.515 -2.949 1.00 1.57 H new ATOM 1260 N GLY A 396 104.793 4.843 -2.312 1.00 0.56 N ATOM 1261 CA GLY A 396 106.055 5.193 -3.036 1.00 0.60 C ATOM 1262 C GLY A 396 107.082 5.790 -2.076 1.00 0.55 C ATOM 1263 O GLY A 396 107.077 5.511 -0.894 1.00 0.82 O ATOM 0 H GLY A 396 104.827 4.935 -1.297 1.00 0.56 H new ATOM 0 HA2 GLY A 396 106.467 4.302 -3.509 1.00 0.60 H new ATOM 0 HA3 GLY A 396 105.838 5.905 -3.832 1.00 0.60 H new ATOM 1267 N SER A 397 108.001 6.568 -2.591 1.00 0.50 N ATOM 1268 CA SER A 397 109.073 7.130 -1.722 1.00 0.60 C ATOM 1269 C SER A 397 108.502 8.195 -0.785 1.00 0.48 C ATOM 1270 O SER A 397 107.447 8.745 -1.022 1.00 0.61 O ATOM 1271 CB SER A 397 110.107 7.733 -2.677 1.00 0.91 C ATOM 1272 OG SER A 397 110.536 6.735 -3.594 1.00 1.17 O ATOM 0 H SER A 397 108.053 6.836 -3.574 1.00 0.50 H new ATOM 0 HA SER A 397 109.520 6.366 -1.086 1.00 0.60 H new ATOM 0 HB2 SER A 397 109.674 8.576 -3.215 1.00 0.91 H new ATOM 0 HB3 SER A 397 110.958 8.117 -2.115 1.00 0.91 H new ATOM 0 HG SER A 397 111.501 6.819 -3.741 1.00 1.17 H new ATOM 1278 N VAL A 398 109.157 8.436 0.318 1.00 0.53 N ATOM 1279 CA VAL A 398 108.607 9.400 1.311 1.00 0.47 C ATOM 1280 C VAL A 398 108.419 10.771 0.666 1.00 0.51 C ATOM 1281 O VAL A 398 107.336 11.316 0.666 1.00 0.51 O ATOM 1282 CB VAL A 398 109.650 9.468 2.421 1.00 0.46 C ATOM 1283 CG1 VAL A 398 109.200 10.476 3.479 1.00 0.50 C ATOM 1284 CG2 VAL A 398 109.795 8.087 3.058 1.00 0.51 C ATOM 0 H VAL A 398 110.047 8.008 0.573 1.00 0.53 H new ATOM 0 HA VAL A 398 107.633 9.091 1.689 1.00 0.47 H new ATOM 0 HB VAL A 398 110.609 9.782 2.008 1.00 0.46 H new ATOM 0 HG11 VAL A 398 109.944 10.526 4.274 1.00 0.50 H new ATOM 0 HG12 VAL A 398 109.091 11.459 3.022 1.00 0.50 H new ATOM 0 HG13 VAL A 398 108.244 10.162 3.897 1.00 0.50 H new ATOM 0 HG21 VAL A 398 110.540 8.129 3.853 1.00 0.51 H new ATOM 0 HG22 VAL A 398 108.837 7.776 3.475 1.00 0.51 H new ATOM 0 HG23 VAL A 398 110.112 7.369 2.302 1.00 0.51 H new ATOM 1294 N ASP A 399 109.413 11.259 -0.019 1.00 0.55 N ATOM 1295 CA ASP A 399 109.210 12.503 -0.806 1.00 0.62 C ATOM 1296 C ASP A 399 108.109 12.264 -1.836 1.00 0.64 C ATOM 1297 O ASP A 399 107.304 13.128 -2.123 1.00 0.64 O ATOM 1298 CB ASP A 399 110.550 12.761 -1.497 1.00 0.71 C ATOM 1299 CG ASP A 399 111.609 13.106 -0.448 1.00 1.10 C ATOM 1300 OD1 ASP A 399 111.231 13.363 0.683 1.00 1.46 O ATOM 1301 OD2 ASP A 399 112.779 13.107 -0.795 1.00 1.59 O ATOM 0 H ASP A 399 110.348 10.855 -0.068 1.00 0.55 H new ATOM 0 HA ASP A 399 108.910 13.352 -0.192 1.00 0.62 H new ATOM 0 HB2 ASP A 399 110.856 11.880 -2.061 1.00 0.71 H new ATOM 0 HB3 ASP A 399 110.451 13.578 -2.211 1.00 0.71 H new ATOM 1306 N ALA A 400 108.076 11.089 -2.395 1.00 0.70 N ATOM 1307 CA ALA A 400 107.045 10.768 -3.419 1.00 0.76 C ATOM 1308 C ALA A 400 105.640 10.783 -2.809 1.00 0.72 C ATOM 1309 O ALA A 400 104.726 11.356 -3.356 1.00 0.75 O ATOM 1310 CB ALA A 400 107.405 9.361 -3.896 1.00 0.85 C ATOM 0 H ALA A 400 108.725 10.330 -2.185 1.00 0.70 H new ATOM 0 HA ALA A 400 107.033 11.496 -4.230 1.00 0.76 H new ATOM 0 HB1 ALA A 400 106.693 9.041 -4.657 1.00 0.85 H new ATOM 0 HB2 ALA A 400 108.410 9.366 -4.319 1.00 0.85 H new ATOM 0 HB3 ALA A 400 107.369 8.671 -3.053 1.00 0.85 H new ATOM 1316 N ILE A 401 105.436 10.125 -1.707 1.00 0.67 N ATOM 1317 CA ILE A 401 104.061 10.090 -1.132 1.00 0.66 C ATOM 1318 C ILE A 401 103.673 11.467 -0.586 1.00 0.59 C ATOM 1319 O ILE A 401 102.532 11.874 -0.660 1.00 0.64 O ATOM 1320 CB ILE A 401 104.121 9.053 -0.013 1.00 0.64 C ATOM 1321 CG1 ILE A 401 104.575 7.705 -0.585 1.00 0.81 C ATOM 1322 CG2 ILE A 401 102.737 8.898 0.617 1.00 0.68 C ATOM 1323 CD1 ILE A 401 103.672 7.305 -1.755 1.00 0.62 C ATOM 0 H ILE A 401 106.148 9.616 -1.183 1.00 0.67 H new ATOM 0 HA ILE A 401 103.310 9.832 -1.878 1.00 0.66 H new ATOM 0 HB ILE A 401 104.830 9.383 0.746 1.00 0.64 H new ATOM 0 HG12 ILE A 401 105.610 7.772 -0.920 1.00 0.81 H new ATOM 0 HG13 ILE A 401 104.540 6.940 0.191 1.00 0.81 H new ATOM 0 HG21 ILE A 401 102.782 8.157 1.416 1.00 0.68 H new ATOM 0 HG22 ILE A 401 102.415 9.855 1.027 1.00 0.68 H new ATOM 0 HG23 ILE A 401 102.026 8.571 -0.142 1.00 0.68 H new ATOM 0 HD11 ILE A 401 104.000 6.346 -2.157 1.00 0.62 H new ATOM 0 HD12 ILE A 401 102.642 7.219 -1.407 1.00 0.62 H new ATOM 0 HD13 ILE A 401 103.730 8.064 -2.535 1.00 0.62 H new ATOM 1335 N ARG A 402 104.614 12.199 -0.063 1.00 0.50 N ATOM 1336 CA ARG A 402 104.295 13.557 0.460 1.00 0.47 C ATOM 1337 C ARG A 402 103.796 14.449 -0.676 1.00 0.54 C ATOM 1338 O ARG A 402 102.834 15.176 -0.535 1.00 0.62 O ATOM 1339 CB ARG A 402 105.617 14.088 1.014 1.00 0.44 C ATOM 1340 CG ARG A 402 105.384 15.454 1.664 1.00 1.17 C ATOM 1341 CD ARG A 402 106.717 16.015 2.165 1.00 1.24 C ATOM 1342 NE ARG A 402 106.360 17.273 2.878 1.00 1.71 N ATOM 1343 CZ ARG A 402 107.294 18.110 3.243 1.00 2.17 C ATOM 1344 NH1 ARG A 402 108.548 17.851 2.983 1.00 2.62 N ATOM 1345 NH2 ARG A 402 106.974 19.209 3.868 1.00 2.61 N ATOM 0 H ARG A 402 105.590 11.917 0.026 1.00 0.50 H new ATOM 0 HA ARG A 402 103.514 13.537 1.220 1.00 0.47 H new ATOM 0 HB2 ARG A 402 106.024 13.390 1.745 1.00 0.44 H new ATOM 0 HB3 ARG A 402 106.351 14.175 0.213 1.00 0.44 H new ATOM 0 HG2 ARG A 402 104.936 16.139 0.944 1.00 1.17 H new ATOM 0 HG3 ARG A 402 104.683 15.359 2.493 1.00 1.17 H new ATOM 0 HD2 ARG A 402 107.216 15.311 2.831 1.00 1.24 H new ATOM 0 HD3 ARG A 402 107.399 16.210 1.338 1.00 1.24 H new ATOM 0 HE ARG A 402 105.383 17.482 3.082 1.00 1.71 H new ATOM 0 HH11 ARG A 402 108.801 16.993 2.493 1.00 2.62 H new ATOM 0 HH12 ARG A 402 109.274 18.507 3.270 1.00 2.62 H new ATOM 0 HH21 ARG A 402 105.996 19.414 4.071 1.00 2.61 H new ATOM 0 HH22 ARG A 402 107.702 19.864 4.154 1.00 2.61 H new ATOM 1359 N ARG A 403 104.444 14.395 -1.806 1.00 0.54 N ATOM 1360 CA ARG A 403 104.011 15.239 -2.952 1.00 0.62 C ATOM 1361 C ARG A 403 102.650 14.759 -3.482 1.00 0.72 C ATOM 1362 O ARG A 403 101.820 15.550 -3.883 1.00 0.82 O ATOM 1363 CB ARG A 403 105.129 15.089 -4.000 1.00 0.63 C ATOM 1364 CG ARG A 403 104.878 13.871 -4.890 1.00 0.83 C ATOM 1365 CD ARG A 403 104.040 14.284 -6.102 1.00 0.96 C ATOM 1366 NE ARG A 403 103.779 13.017 -6.838 1.00 1.38 N ATOM 1367 CZ ARG A 403 103.289 13.048 -8.050 1.00 2.01 C ATOM 1368 NH1 ARG A 403 103.025 14.193 -8.624 1.00 2.48 N ATOM 1369 NH2 ARG A 403 103.063 11.933 -8.689 1.00 2.46 N ATOM 0 H ARG A 403 105.255 13.802 -1.985 1.00 0.54 H new ATOM 0 HA ARG A 403 103.870 16.285 -2.679 1.00 0.62 H new ATOM 0 HB2 ARG A 403 105.182 15.989 -4.613 1.00 0.63 H new ATOM 0 HB3 ARG A 403 106.092 14.987 -3.499 1.00 0.63 H new ATOM 0 HG2 ARG A 403 105.827 13.447 -5.219 1.00 0.83 H new ATOM 0 HG3 ARG A 403 104.361 13.096 -4.325 1.00 0.83 H new ATOM 0 HD2 ARG A 403 103.109 14.761 -5.795 1.00 0.96 H new ATOM 0 HD3 ARG A 403 104.574 15.000 -6.726 1.00 0.96 H new ATOM 0 HE ARG A 403 103.983 12.121 -6.395 1.00 1.38 H new ATOM 0 HH11 ARG A 403 103.201 15.066 -8.126 1.00 2.48 H new ATOM 0 HH12 ARG A 403 102.643 14.213 -9.569 1.00 2.48 H new ATOM 0 HH21 ARG A 403 103.268 11.039 -8.243 1.00 2.46 H new ATOM 0 HH22 ARG A 403 102.681 11.955 -9.634 1.00 2.46 H new ATOM 1383 N HIS A 404 102.385 13.481 -3.424 1.00 0.74 N ATOM 1384 CA HIS A 404 101.050 12.985 -3.861 1.00 0.86 C ATOM 1385 C HIS A 404 99.953 13.515 -2.931 1.00 0.84 C ATOM 1386 O HIS A 404 98.907 13.948 -3.373 1.00 0.94 O ATOM 1387 CB HIS A 404 101.144 11.463 -3.774 1.00 0.92 C ATOM 1388 CG HIS A 404 99.868 10.855 -4.285 1.00 1.32 C ATOM 1389 ND1 HIS A 404 98.672 10.953 -3.591 1.00 1.39 N ATOM 1390 CD2 HIS A 404 99.583 10.143 -5.424 1.00 2.29 C ATOM 1391 CE1 HIS A 404 97.731 10.316 -4.312 1.00 1.88 C ATOM 1392 NE2 HIS A 404 98.233 9.804 -5.439 1.00 2.43 N ATOM 0 H HIS A 404 103.031 12.764 -3.095 1.00 0.74 H new ATOM 0 HA HIS A 404 100.796 13.319 -4.867 1.00 0.86 H new ATOM 0 HB2 HIS A 404 101.991 11.106 -4.360 1.00 0.92 H new ATOM 0 HB3 HIS A 404 101.318 11.157 -2.743 1.00 0.92 H new ATOM 0 HD2 HIS A 404 100.298 9.885 -6.192 1.00 2.29 H new ATOM 0 HE1 HIS A 404 96.696 10.229 -4.016 1.00 1.88 H new ATOM 0 HE2 HIS A 404 97.734 9.278 -6.156 1.00 2.43 H new ATOM 1400 N VAL A 405 100.206 13.544 -1.654 1.00 0.76 N ATOM 1401 CA VAL A 405 99.200 14.109 -0.712 1.00 0.79 C ATOM 1402 C VAL A 405 98.986 15.599 -0.992 1.00 0.85 C ATOM 1403 O VAL A 405 97.874 16.080 -1.008 1.00 0.94 O ATOM 1404 CB VAL A 405 99.795 13.901 0.681 1.00 0.76 C ATOM 1405 CG1 VAL A 405 98.867 14.513 1.731 1.00 0.80 C ATOM 1406 CG2 VAL A 405 99.952 12.402 0.950 1.00 0.76 C ATOM 0 H VAL A 405 101.064 13.202 -1.221 1.00 0.76 H new ATOM 0 HA VAL A 405 98.227 13.627 -0.813 1.00 0.79 H new ATOM 0 HB VAL A 405 100.770 14.384 0.734 1.00 0.76 H new ATOM 0 HG11 VAL A 405 99.292 14.364 2.724 1.00 0.80 H new ATOM 0 HG12 VAL A 405 98.756 15.580 1.540 1.00 0.80 H new ATOM 0 HG13 VAL A 405 97.891 14.031 1.679 1.00 0.80 H new ATOM 0 HG21 VAL A 405 100.376 12.253 1.943 1.00 0.76 H new ATOM 0 HG22 VAL A 405 98.977 11.918 0.896 1.00 0.76 H new ATOM 0 HG23 VAL A 405 100.615 11.966 0.203 1.00 0.76 H new ATOM 1416 N GLU A 406 100.039 16.343 -1.181 1.00 0.84 N ATOM 1417 CA GLU A 406 99.876 17.807 -1.415 1.00 0.95 C ATOM 1418 C GLU A 406 99.058 18.065 -2.687 1.00 1.05 C ATOM 1419 O GLU A 406 98.261 18.980 -2.744 1.00 1.19 O ATOM 1420 CB GLU A 406 101.299 18.344 -1.574 1.00 0.91 C ATOM 1421 CG GLU A 406 102.062 18.164 -0.260 1.00 0.88 C ATOM 1422 CD GLU A 406 103.464 18.759 -0.398 1.00 1.43 C ATOM 1423 OE1 GLU A 406 103.830 19.113 -1.507 1.00 1.86 O ATOM 1424 OE2 GLU A 406 104.149 18.853 0.608 1.00 2.16 O ATOM 0 H GLU A 406 101.001 16.005 -1.184 1.00 0.84 H new ATOM 0 HA GLU A 406 99.343 18.293 -0.598 1.00 0.95 H new ATOM 0 HB2 GLU A 406 101.810 17.816 -2.379 1.00 0.91 H new ATOM 0 HB3 GLU A 406 101.273 19.398 -1.850 1.00 0.91 H new ATOM 0 HG2 GLU A 406 101.526 18.653 0.554 1.00 0.88 H new ATOM 0 HG3 GLU A 406 102.128 17.106 -0.008 1.00 0.88 H new ATOM 1431 N ALA A 407 99.234 17.261 -3.701 1.00 1.02 N ATOM 1432 CA ALA A 407 98.447 17.463 -4.953 1.00 1.17 C ATOM 1433 C ALA A 407 96.965 17.207 -4.677 1.00 1.32 C ATOM 1434 O ALA A 407 96.112 17.998 -5.025 1.00 1.53 O ATOM 1435 CB ALA A 407 98.997 16.433 -5.939 1.00 1.12 C ATOM 0 H ALA A 407 99.885 16.476 -3.718 1.00 1.02 H new ATOM 0 HA ALA A 407 98.532 18.478 -5.342 1.00 1.17 H new ATOM 0 HB1 ALA A 407 98.467 16.518 -6.888 1.00 1.12 H new ATOM 0 HB2 ALA A 407 100.060 16.614 -6.099 1.00 1.12 H new ATOM 0 HB3 ALA A 407 98.857 15.431 -5.534 1.00 1.12 H new ATOM 1441 N ASN A 408 96.678 16.193 -3.912 1.00 1.23 N ATOM 1442 CA ASN A 408 95.285 15.979 -3.442 1.00 1.37 C ATOM 1443 C ASN A 408 94.889 17.125 -2.517 1.00 1.44 C ATOM 1444 O ASN A 408 93.724 17.414 -2.320 1.00 1.60 O ATOM 1445 CB ASN A 408 95.339 14.659 -2.678 1.00 1.27 C ATOM 1446 CG ASN A 408 95.541 13.507 -3.662 1.00 1.88 C ATOM 1447 OD1 ASN A 408 96.340 12.622 -3.424 1.00 2.75 O ATOM 1448 ND2 ASN A 408 94.846 13.478 -4.767 1.00 2.02 N ATOM 0 H ASN A 408 97.354 15.500 -3.591 1.00 1.23 H new ATOM 0 HA ASN A 408 94.555 15.948 -4.251 1.00 1.37 H new ATOM 0 HB2 ASN A 408 96.153 14.679 -1.954 1.00 1.27 H new ATOM 0 HB3 ASN A 408 94.416 14.514 -2.116 1.00 1.27 H new ATOM 0 HD21 ASN A 408 94.974 12.713 -5.430 1.00 2.02 H new ATOM 0 HD22 ASN A 408 94.175 14.220 -4.967 1.00 2.02 H new ATOM 1455 N GLY A 409 95.858 17.721 -1.885 1.00 1.37 N ATOM 1456 CA GLY A 409 95.568 18.784 -0.893 1.00 1.51 C ATOM 1457 C GLY A 409 95.554 18.176 0.509 1.00 1.69 C ATOM 1458 O GLY A 409 95.002 18.734 1.437 1.00 2.28 O ATOM 0 H GLY A 409 96.848 17.513 -2.016 1.00 1.37 H new ATOM 0 HA2 GLY A 409 96.321 19.569 -0.954 1.00 1.51 H new ATOM 0 HA3 GLY A 409 94.606 19.248 -1.110 1.00 1.51 H new ATOM 1462 N GLY A 410 96.191 17.048 0.676 1.00 1.39 N ATOM 1463 CA GLY A 410 96.255 16.415 2.025 1.00 1.72 C ATOM 1464 C GLY A 410 97.517 16.884 2.749 1.00 1.26 C ATOM 1465 O GLY A 410 98.255 17.713 2.254 1.00 1.69 O ATOM 0 H GLY A 410 96.671 16.537 -0.065 1.00 1.39 H new ATOM 0 HA2 GLY A 410 95.371 16.680 2.605 1.00 1.72 H new ATOM 0 HA3 GLY A 410 96.260 15.329 1.929 1.00 1.72 H new ATOM 1469 N HIS A 411 97.805 16.318 3.889 1.00 0.88 N ATOM 1470 CA HIS A 411 99.059 16.688 4.608 1.00 1.32 C ATOM 1471 C HIS A 411 99.730 15.436 5.182 1.00 1.27 C ATOM 1472 O HIS A 411 99.074 14.489 5.567 1.00 1.52 O ATOM 1473 CB HIS A 411 98.612 17.623 5.733 1.00 1.83 C ATOM 1474 CG HIS A 411 97.960 18.843 5.142 1.00 2.66 C ATOM 1475 ND1 HIS A 411 98.682 19.806 4.453 1.00 3.39 N ATOM 1476 CD2 HIS A 411 96.656 19.270 5.128 1.00 3.34 C ATOM 1477 CE1 HIS A 411 97.814 20.756 4.058 1.00 4.16 C ATOM 1478 NE2 HIS A 411 96.566 20.478 4.443 1.00 4.13 N ATOM 0 H HIS A 411 97.228 15.617 4.354 1.00 0.88 H new ATOM 0 HA HIS A 411 99.786 17.163 3.950 1.00 1.32 H new ATOM 0 HB2 HIS A 411 97.914 17.108 6.393 1.00 1.83 H new ATOM 0 HB3 HIS A 411 99.469 17.914 6.341 1.00 1.83 H new ATOM 0 HD2 HIS A 411 95.826 18.748 5.580 1.00 3.34 H new ATOM 0 HE1 HIS A 411 98.093 21.636 3.498 1.00 4.16 H new ATOM 0 HE2 HIS A 411 95.727 21.032 4.272 1.00 4.13 H new ATOM 1486 N PHE A 412 101.033 15.434 5.258 1.00 1.04 N ATOM 1487 CA PHE A 412 101.746 14.253 5.827 1.00 1.06 C ATOM 1488 C PHE A 412 101.865 14.393 7.349 1.00 1.03 C ATOM 1489 O PHE A 412 102.540 15.275 7.840 1.00 1.05 O ATOM 1490 CB PHE A 412 103.129 14.281 5.171 1.00 1.03 C ATOM 1491 CG PHE A 412 103.682 12.879 5.095 1.00 1.36 C ATOM 1492 CD1 PHE A 412 104.216 12.272 6.240 1.00 1.73 C ATOM 1493 CD2 PHE A 412 103.663 12.184 3.878 1.00 1.90 C ATOM 1494 CE1 PHE A 412 104.732 10.970 6.168 1.00 2.70 C ATOM 1495 CE2 PHE A 412 104.179 10.883 3.805 1.00 2.91 C ATOM 1496 CZ PHE A 412 104.714 10.276 4.949 1.00 3.31 C ATOM 0 H PHE A 412 101.635 16.198 4.951 1.00 1.04 H new ATOM 0 HA PHE A 412 101.223 13.316 5.637 1.00 1.06 H new ATOM 0 HB2 PHE A 412 103.060 14.710 4.171 1.00 1.03 H new ATOM 0 HB3 PHE A 412 103.802 14.918 5.745 1.00 1.03 H new ATOM 0 HD1 PHE A 412 104.230 12.807 7.178 1.00 1.73 H new ATOM 0 HD2 PHE A 412 103.251 12.651 2.996 1.00 1.90 H new ATOM 0 HE1 PHE A 412 105.143 10.502 7.050 1.00 2.70 H new ATOM 0 HE2 PHE A 412 104.164 10.348 2.867 1.00 2.91 H new ATOM 0 HZ PHE A 412 105.113 9.274 4.892 1.00 3.31 H new ATOM 1506 N PRO A 413 101.158 13.542 8.049 1.00 1.03 N ATOM 1507 CA PRO A 413 101.137 13.603 9.533 1.00 1.06 C ATOM 1508 C PRO A 413 102.552 13.457 10.103 1.00 0.96 C ATOM 1509 O PRO A 413 103.371 12.731 9.578 1.00 0.88 O ATOM 1510 CB PRO A 413 100.265 12.415 9.943 1.00 1.16 C ATOM 1511 CG PRO A 413 99.504 12.029 8.714 1.00 1.23 C ATOM 1512 CD PRO A 413 100.324 12.457 7.527 1.00 1.05 C ATOM 0 HA PRO A 413 100.755 14.553 9.907 1.00 1.06 H new ATOM 0 HB2 PRO A 413 100.876 11.586 10.302 1.00 1.16 H new ATOM 0 HB3 PRO A 413 99.589 12.687 10.753 1.00 1.16 H new ATOM 0 HG2 PRO A 413 99.329 10.953 8.692 1.00 1.23 H new ATOM 0 HG3 PRO A 413 98.527 12.511 8.700 1.00 1.23 H new ATOM 0 HD2 PRO A 413 100.930 11.636 7.143 1.00 1.05 H new ATOM 0 HD3 PRO A 413 99.692 12.798 6.707 1.00 1.05 H new ATOM 1520 N THR A 414 102.849 14.161 11.163 1.00 1.01 N ATOM 1521 CA THR A 414 104.218 14.081 11.752 1.00 0.97 C ATOM 1522 C THR A 414 104.530 12.644 12.186 1.00 0.92 C ATOM 1523 O THR A 414 105.616 12.149 11.979 1.00 0.84 O ATOM 1524 CB THR A 414 104.186 15.027 12.963 1.00 1.09 C ATOM 1525 OG1 THR A 414 105.513 15.417 13.287 1.00 1.63 O ATOM 1526 CG2 THR A 414 103.552 14.327 14.170 1.00 1.75 C ATOM 0 H THR A 414 102.204 14.787 11.646 1.00 1.01 H new ATOM 0 HA THR A 414 104.992 14.364 11.039 1.00 0.97 H new ATOM 0 HB THR A 414 103.590 15.905 12.712 1.00 1.09 H new ATOM 0 HG1 THR A 414 105.497 16.022 14.058 1.00 1.63 H new ATOM 0 HG21 THR A 414 103.536 15.010 15.020 1.00 1.75 H new ATOM 0 HG22 THR A 414 102.532 14.030 13.924 1.00 1.75 H new ATOM 0 HG23 THR A 414 104.136 13.443 14.426 1.00 1.75 H new ATOM 1534 N ASP A 415 103.604 11.995 12.833 1.00 0.99 N ATOM 1535 CA ASP A 415 103.875 10.616 13.333 1.00 0.97 C ATOM 1536 C ASP A 415 104.280 9.705 12.174 1.00 0.83 C ATOM 1537 O ASP A 415 105.150 8.873 12.300 1.00 0.84 O ATOM 1538 CB ASP A 415 102.560 10.152 13.954 1.00 1.08 C ATOM 1539 CG ASP A 415 102.272 10.975 15.212 1.00 1.27 C ATOM 1540 OD1 ASP A 415 103.166 11.680 15.651 1.00 1.87 O ATOM 1541 OD2 ASP A 415 101.165 10.886 15.713 1.00 1.80 O ATOM 0 H ASP A 415 102.673 12.357 13.038 1.00 0.99 H new ATOM 0 HA ASP A 415 104.692 10.590 14.054 1.00 0.97 H new ATOM 0 HB2 ASP A 415 101.747 10.266 13.237 1.00 1.08 H new ATOM 0 HB3 ASP A 415 102.617 9.093 14.205 1.00 1.08 H new ATOM 1546 N VAL A 416 103.706 9.888 11.022 1.00 0.71 N ATOM 1547 CA VAL A 416 104.137 9.069 9.860 1.00 0.60 C ATOM 1548 C VAL A 416 105.542 9.480 9.415 1.00 0.51 C ATOM 1549 O VAL A 416 106.356 8.651 9.067 1.00 0.46 O ATOM 1550 CB VAL A 416 103.110 9.366 8.770 1.00 0.58 C ATOM 1551 CG1 VAL A 416 103.560 8.730 7.451 1.00 0.51 C ATOM 1552 CG2 VAL A 416 101.756 8.783 9.177 1.00 0.71 C ATOM 0 H VAL A 416 102.964 10.562 10.835 1.00 0.71 H new ATOM 0 HA VAL A 416 104.184 8.005 10.093 1.00 0.60 H new ATOM 0 HB VAL A 416 103.022 10.445 8.640 1.00 0.58 H new ATOM 0 HG11 VAL A 416 102.825 8.944 6.675 1.00 0.51 H new ATOM 0 HG12 VAL A 416 104.526 9.142 7.159 1.00 0.51 H new ATOM 0 HG13 VAL A 416 103.649 7.651 7.579 1.00 0.51 H new ATOM 0 HG21 VAL A 416 101.021 8.994 8.400 1.00 0.71 H new ATOM 0 HG22 VAL A 416 101.848 7.705 9.306 1.00 0.71 H new ATOM 0 HG23 VAL A 416 101.433 9.235 10.115 1.00 0.71 H new ATOM 1562 N ASP A 417 105.858 10.742 9.481 1.00 0.53 N ATOM 1563 CA ASP A 417 107.240 11.176 9.120 1.00 0.53 C ATOM 1564 C ASP A 417 108.260 10.560 10.084 1.00 0.58 C ATOM 1565 O ASP A 417 109.288 10.059 9.675 1.00 0.60 O ATOM 1566 CB ASP A 417 107.228 12.700 9.246 1.00 0.61 C ATOM 1567 CG ASP A 417 108.530 13.269 8.682 1.00 1.03 C ATOM 1568 OD1 ASP A 417 109.309 12.497 8.147 1.00 1.15 O ATOM 1569 OD2 ASP A 417 108.727 14.468 8.794 1.00 1.81 O ATOM 0 H ASP A 417 105.226 11.489 9.767 1.00 0.53 H new ATOM 0 HA ASP A 417 107.522 10.856 8.117 1.00 0.53 H new ATOM 0 HB2 ASP A 417 106.375 13.113 8.708 1.00 0.61 H new ATOM 0 HB3 ASP A 417 107.115 12.988 10.291 1.00 0.61 H new ATOM 1574 N GLN A 418 107.970 10.554 11.354 1.00 0.62 N ATOM 1575 CA GLN A 418 108.911 9.931 12.327 1.00 0.68 C ATOM 1576 C GLN A 418 108.963 8.411 12.130 1.00 0.69 C ATOM 1577 O GLN A 418 110.017 7.817 12.187 1.00 0.81 O ATOM 1578 CB GLN A 418 108.373 10.302 13.713 1.00 0.73 C ATOM 1579 CG GLN A 418 106.951 9.776 13.881 1.00 1.31 C ATOM 1580 CD GLN A 418 106.509 9.952 15.334 1.00 1.86 C ATOM 1581 OE1 GLN A 418 106.070 11.015 15.723 1.00 1.96 O ATOM 1582 NE2 GLN A 418 106.607 8.946 16.160 1.00 2.60 N ATOM 0 H GLN A 418 107.124 10.953 11.761 1.00 0.62 H new ATOM 0 HA GLN A 418 109.933 10.287 12.194 1.00 0.68 H new ATOM 0 HB2 GLN A 418 109.018 9.883 14.486 1.00 0.73 H new ATOM 0 HB3 GLN A 418 108.386 11.385 13.839 1.00 0.73 H new ATOM 0 HG2 GLN A 418 106.273 10.312 13.216 1.00 1.31 H new ATOM 0 HG3 GLN A 418 106.906 8.723 13.601 1.00 1.31 H new ATOM 0 HE21 GLN A 418 106.976 8.053 15.834 1.00 2.60 H new ATOM 0 HE22 GLN A 418 106.315 9.053 17.131 1.00 2.60 H new ATOM 1591 N LYS A 419 107.861 7.776 11.829 1.00 0.61 N ATOM 1592 CA LYS A 419 107.915 6.308 11.561 1.00 0.63 C ATOM 1593 C LYS A 419 108.769 6.019 10.321 1.00 0.62 C ATOM 1594 O LYS A 419 109.511 5.060 10.279 1.00 0.71 O ATOM 1595 CB LYS A 419 106.465 5.888 11.325 1.00 0.57 C ATOM 1596 CG LYS A 419 105.693 5.956 12.645 1.00 0.81 C ATOM 1597 CD LYS A 419 104.259 5.469 12.426 1.00 0.93 C ATOM 1598 CE LYS A 419 103.458 5.638 13.717 1.00 1.33 C ATOM 1599 NZ LYS A 419 103.800 4.444 14.540 1.00 2.49 N ATOM 0 H LYS A 419 106.937 8.203 11.758 1.00 0.61 H new ATOM 0 HA LYS A 419 108.367 5.760 12.388 1.00 0.63 H new ATOM 0 HB2 LYS A 419 106.001 6.542 10.586 1.00 0.57 H new ATOM 0 HB3 LYS A 419 106.429 4.876 10.922 1.00 0.57 H new ATOM 0 HG2 LYS A 419 106.186 5.341 13.398 1.00 0.81 H new ATOM 0 HG3 LYS A 419 105.687 6.979 13.022 1.00 0.81 H new ATOM 0 HD2 LYS A 419 103.792 6.034 11.619 1.00 0.93 H new ATOM 0 HD3 LYS A 419 104.262 4.422 12.122 1.00 0.93 H new ATOM 0 HE2 LYS A 419 103.726 6.561 14.230 1.00 1.33 H new ATOM 0 HE3 LYS A 419 102.388 5.685 13.515 1.00 1.33 H new ATOM 0 HZ1 LYS A 419 103.201 4.425 15.390 1.00 2.49 H new ATOM 0 HZ2 LYS A 419 103.638 3.581 13.983 1.00 2.49 H new ATOM 0 HZ3 LYS A 419 104.800 4.492 14.822 1.00 2.49 H new ATOM 1613 N VAL A 420 108.691 6.852 9.320 1.00 0.56 N ATOM 1614 CA VAL A 420 109.510 6.632 8.091 1.00 0.62 C ATOM 1615 C VAL A 420 110.996 6.791 8.414 1.00 0.71 C ATOM 1616 O VAL A 420 111.837 6.070 7.919 1.00 0.79 O ATOM 1617 CB VAL A 420 109.061 7.727 7.124 1.00 0.60 C ATOM 1618 CG1 VAL A 420 109.864 7.620 5.829 1.00 0.70 C ATOM 1619 CG2 VAL A 420 107.572 7.565 6.814 1.00 0.59 C ATOM 0 H VAL A 420 108.094 7.679 9.299 1.00 0.56 H new ATOM 0 HA VAL A 420 109.376 5.633 7.676 1.00 0.62 H new ATOM 0 HB VAL A 420 109.229 8.702 7.581 1.00 0.60 H new ATOM 0 HG11 VAL A 420 109.545 8.400 5.138 1.00 0.70 H new ATOM 0 HG12 VAL A 420 110.925 7.740 6.048 1.00 0.70 H new ATOM 0 HG13 VAL A 420 109.695 6.643 5.376 1.00 0.70 H new ATOM 0 HG21 VAL A 420 107.257 8.348 6.124 1.00 0.59 H new ATOM 0 HG22 VAL A 420 107.399 6.590 6.359 1.00 0.59 H new ATOM 0 HG23 VAL A 420 106.998 7.642 7.737 1.00 0.59 H new ATOM 1629 N ASP A 421 111.319 7.758 9.218 1.00 0.72 N ATOM 1630 CA ASP A 421 112.745 8.014 9.563 1.00 0.84 C ATOM 1631 C ASP A 421 113.302 6.895 10.447 1.00 0.91 C ATOM 1632 O ASP A 421 114.391 6.402 10.228 1.00 1.00 O ATOM 1633 CB ASP A 421 112.714 9.336 10.323 1.00 0.88 C ATOM 1634 CG ASP A 421 112.441 10.482 9.347 1.00 1.14 C ATOM 1635 OD1 ASP A 421 112.455 10.233 8.153 1.00 1.25 O ATOM 1636 OD2 ASP A 421 112.224 11.589 9.811 1.00 2.05 O ATOM 0 H ASP A 421 110.651 8.391 9.658 1.00 0.72 H new ATOM 0 HA ASP A 421 113.386 8.052 8.682 1.00 0.84 H new ATOM 0 HB2 ASP A 421 111.941 9.307 11.091 1.00 0.88 H new ATOM 0 HB3 ASP A 421 113.664 9.497 10.832 1.00 0.88 H new ATOM 1641 N GLN A 422 112.546 6.461 11.413 1.00 0.89 N ATOM 1642 CA GLN A 422 113.006 5.340 12.278 1.00 0.98 C ATOM 1643 C GLN A 422 113.128 4.060 11.451 1.00 0.98 C ATOM 1644 O GLN A 422 114.040 3.280 11.633 1.00 1.07 O ATOM 1645 CB GLN A 422 111.927 5.201 13.353 1.00 0.99 C ATOM 1646 CG GLN A 422 111.855 6.494 14.174 1.00 1.32 C ATOM 1647 CD GLN A 422 110.858 6.334 15.330 1.00 1.77 C ATOM 1648 OE1 GLN A 422 110.718 7.224 16.144 1.00 2.33 O ATOM 1649 NE2 GLN A 422 110.149 5.239 15.441 1.00 2.33 N ATOM 0 H GLN A 422 111.625 6.835 11.643 1.00 0.89 H new ATOM 0 HA GLN A 422 113.986 5.524 12.718 1.00 0.98 H new ATOM 0 HB2 GLN A 422 110.961 4.997 12.890 1.00 0.99 H new ATOM 0 HB3 GLN A 422 112.153 4.356 14.004 1.00 0.99 H new ATOM 0 HG2 GLN A 422 112.842 6.739 14.567 1.00 1.32 H new ATOM 0 HG3 GLN A 422 111.551 7.323 13.535 1.00 1.32 H new ATOM 0 HE21 GLN A 422 110.262 4.487 14.761 1.00 2.33 H new ATOM 0 HE22 GLN A 422 109.484 5.138 16.208 1.00 2.33 H new ATOM 1658 N VAL A 423 112.320 3.923 10.439 1.00 0.91 N ATOM 1659 CA VAL A 423 112.512 2.797 9.490 1.00 0.94 C ATOM 1660 C VAL A 423 113.902 2.892 8.855 1.00 0.96 C ATOM 1661 O VAL A 423 114.621 1.917 8.762 1.00 1.00 O ATOM 1662 CB VAL A 423 111.425 3.008 8.442 1.00 0.92 C ATOM 1663 CG1 VAL A 423 111.586 1.989 7.315 1.00 0.95 C ATOM 1664 CG2 VAL A 423 110.050 2.848 9.091 1.00 0.99 C ATOM 0 H VAL A 423 111.537 4.542 10.229 1.00 0.91 H new ATOM 0 HA VAL A 423 112.445 1.817 9.963 1.00 0.94 H new ATOM 0 HB VAL A 423 111.514 4.013 8.029 1.00 0.92 H new ATOM 0 HG11 VAL A 423 110.806 2.145 6.569 1.00 0.95 H new ATOM 0 HG12 VAL A 423 112.564 2.113 6.849 1.00 0.95 H new ATOM 0 HG13 VAL A 423 111.503 0.981 7.721 1.00 0.95 H new ATOM 0 HG21 VAL A 423 109.274 2.999 8.341 1.00 0.99 H new ATOM 0 HG22 VAL A 423 109.960 1.846 9.510 1.00 0.99 H new ATOM 0 HG23 VAL A 423 109.935 3.585 9.886 1.00 0.99 H new ATOM 1674 N ALA A 424 114.302 4.071 8.465 1.00 0.98 N ATOM 1675 CA ALA A 424 115.667 4.248 7.890 1.00 1.07 C ATOM 1676 C ALA A 424 116.728 4.081 8.979 1.00 1.17 C ATOM 1677 O ALA A 424 117.684 3.347 8.824 1.00 1.24 O ATOM 1678 CB ALA A 424 115.682 5.676 7.358 1.00 1.09 C ATOM 0 H ALA A 424 113.742 4.922 8.520 1.00 0.98 H new ATOM 0 HA ALA A 424 115.886 3.514 7.115 1.00 1.07 H new ATOM 0 HB1 ALA A 424 116.655 5.889 6.916 1.00 1.09 H new ATOM 0 HB2 ALA A 424 114.906 5.790 6.601 1.00 1.09 H new ATOM 0 HB3 ALA A 424 115.495 6.371 8.176 1.00 1.09 H new ATOM 1684 N ARG A 425 116.561 4.753 10.086 1.00 1.23 N ATOM 1685 CA ARG A 425 117.553 4.628 11.191 1.00 1.39 C ATOM 1686 C ARG A 425 117.746 3.155 11.550 1.00 1.38 C ATOM 1687 O ARG A 425 118.765 2.762 12.082 1.00 1.53 O ATOM 1688 CB ARG A 425 116.942 5.392 12.365 1.00 1.57 C ATOM 1689 CG ARG A 425 116.842 6.878 12.014 1.00 2.17 C ATOM 1690 CD ARG A 425 116.322 7.654 13.226 1.00 2.43 C ATOM 1691 NE ARG A 425 116.065 9.032 12.719 1.00 2.68 N ATOM 1692 CZ ARG A 425 115.615 9.956 13.526 1.00 3.44 C ATOM 1693 NH1 ARG A 425 115.385 9.679 14.782 1.00 4.11 N ATOM 1694 NH2 ARG A 425 115.392 11.160 13.076 1.00 3.73 N ATOM 0 H ARG A 425 115.781 5.383 10.272 1.00 1.23 H new ATOM 0 HA ARG A 425 118.531 5.024 10.918 1.00 1.39 H new ATOM 0 HB2 ARG A 425 115.953 4.995 12.595 1.00 1.57 H new ATOM 0 HB3 ARG A 425 117.554 5.259 13.257 1.00 1.57 H new ATOM 0 HG2 ARG A 425 117.819 7.259 11.717 1.00 2.17 H new ATOM 0 HG3 ARG A 425 116.173 7.018 11.165 1.00 2.17 H new ATOM 0 HD2 ARG A 425 115.412 7.203 13.623 1.00 2.43 H new ATOM 0 HD3 ARG A 425 117.053 7.661 14.034 1.00 2.43 H new ATOM 0 HE ARG A 425 116.241 9.254 11.739 1.00 2.68 H new ATOM 0 HH11 ARG A 425 115.557 8.738 15.136 1.00 4.11 H new ATOM 0 HH12 ARG A 425 115.034 10.404 15.408 1.00 4.11 H new ATOM 0 HH21 ARG A 425 115.569 11.379 12.096 1.00 3.73 H new ATOM 0 HH22 ARG A 425 115.041 11.882 13.705 1.00 3.73 H new ATOM 1708 N GLN A 426 116.787 2.333 11.230 1.00 1.26 N ATOM 1709 CA GLN A 426 116.932 0.874 11.519 1.00 1.33 C ATOM 1710 C GLN A 426 117.579 0.153 10.334 1.00 1.26 C ATOM 1711 O GLN A 426 117.772 -1.047 10.356 1.00 1.33 O ATOM 1712 CB GLN A 426 115.511 0.368 11.754 1.00 1.34 C ATOM 1713 CG GLN A 426 114.967 0.980 13.045 1.00 1.95 C ATOM 1714 CD GLN A 426 113.500 0.588 13.220 1.00 2.42 C ATOM 1715 OE1 GLN A 426 112.858 0.154 12.284 1.00 2.68 O ATOM 1716 NE2 GLN A 426 112.935 0.723 14.389 1.00 2.92 N ATOM 0 H GLN A 426 115.911 2.604 10.783 1.00 1.26 H new ATOM 0 HA GLN A 426 117.573 0.690 12.381 1.00 1.33 H new ATOM 0 HB2 GLN A 426 114.872 0.637 10.913 1.00 1.34 H new ATOM 0 HB3 GLN A 426 115.506 -0.720 11.823 1.00 1.34 H new ATOM 0 HG2 GLN A 426 115.551 0.633 13.898 1.00 1.95 H new ATOM 0 HG3 GLN A 426 115.063 2.065 13.013 1.00 1.95 H new ATOM 0 HE21 GLN A 426 113.472 1.087 15.176 1.00 2.92 H new ATOM 0 HE22 GLN A 426 111.956 0.464 14.515 1.00 2.92 H new ATOM 1725 N GLY A 427 117.982 0.882 9.332 1.00 1.16 N ATOM 1726 CA GLY A 427 118.697 0.245 8.187 1.00 1.14 C ATOM 1727 C GLY A 427 117.681 -0.248 7.155 1.00 1.07 C ATOM 1728 O GLY A 427 118.021 -0.946 6.219 1.00 1.11 O ATOM 0 H GLY A 427 117.848 1.890 9.254 1.00 1.16 H new ATOM 0 HA2 GLY A 427 119.378 0.961 7.728 1.00 1.14 H new ATOM 0 HA3 GLY A 427 119.303 -0.589 8.542 1.00 1.14 H new ATOM 1732 N ALA A 428 116.444 0.133 7.301 1.00 1.07 N ATOM 1733 CA ALA A 428 115.409 -0.285 6.313 1.00 1.00 C ATOM 1734 C ALA A 428 115.055 0.887 5.400 1.00 0.94 C ATOM 1735 O ALA A 428 115.179 2.034 5.776 1.00 0.97 O ATOM 1736 CB ALA A 428 114.200 -0.692 7.157 1.00 1.04 C ATOM 0 H ALA A 428 116.103 0.718 8.064 1.00 1.07 H new ATOM 0 HA ALA A 428 115.750 -1.098 5.672 1.00 1.00 H new ATOM 0 HB1 ALA A 428 113.391 -1.014 6.502 1.00 1.04 H new ATOM 0 HB2 ALA A 428 114.478 -1.511 7.820 1.00 1.04 H new ATOM 0 HB3 ALA A 428 113.868 0.159 7.752 1.00 1.04 H new ATOM 1742 N THR A 429 114.514 0.608 4.248 1.00 0.92 N ATOM 1743 CA THR A 429 114.037 1.711 3.367 1.00 0.88 C ATOM 1744 C THR A 429 112.556 1.961 3.639 1.00 0.65 C ATOM 1745 O THR A 429 111.724 1.129 3.337 1.00 0.62 O ATOM 1746 CB THR A 429 114.243 1.208 1.934 1.00 1.00 C ATOM 1747 OG1 THR A 429 115.607 1.368 1.571 1.00 1.21 O ATOM 1748 CG2 THR A 429 113.359 2.008 0.965 1.00 1.00 C ATOM 0 H THR A 429 114.381 -0.333 3.878 1.00 0.92 H new ATOM 0 HA THR A 429 114.570 2.646 3.538 1.00 0.88 H new ATOM 0 HB THR A 429 113.969 0.154 1.881 1.00 1.00 H new ATOM 0 HG1 THR A 429 115.742 1.045 0.655 1.00 1.21 H new ATOM 0 HG21 THR A 429 113.511 1.644 -0.051 1.00 1.00 H new ATOM 0 HG22 THR A 429 112.312 1.884 1.241 1.00 1.00 H new ATOM 0 HG23 THR A 429 113.626 3.064 1.016 1.00 1.00 H new ATOM 1756 N PRO A 430 112.282 3.081 4.243 1.00 0.70 N ATOM 1757 CA PRO A 430 110.892 3.430 4.602 1.00 0.55 C ATOM 1758 C PRO A 430 110.115 3.857 3.356 1.00 0.54 C ATOM 1759 O PRO A 430 110.167 5.002 2.953 1.00 0.68 O ATOM 1760 CB PRO A 430 111.038 4.609 5.570 1.00 0.81 C ATOM 1761 CG PRO A 430 112.512 4.789 5.794 1.00 1.20 C ATOM 1762 CD PRO A 430 113.222 4.118 4.654 1.00 1.04 C ATOM 0 HA PRO A 430 110.348 2.593 5.041 1.00 0.55 H new ATOM 0 HB2 PRO A 430 110.595 5.513 5.152 1.00 0.81 H new ATOM 0 HB3 PRO A 430 110.524 4.407 6.509 1.00 0.81 H new ATOM 0 HG2 PRO A 430 112.768 5.848 5.836 1.00 1.20 H new ATOM 0 HG3 PRO A 430 112.813 4.350 6.745 1.00 1.20 H new ATOM 0 HD2 PRO A 430 113.432 4.816 3.843 1.00 1.04 H new ATOM 0 HD3 PRO A 430 114.177 3.696 4.967 1.00 1.04 H new ATOM 1770 N LEU A 431 109.199 3.040 2.930 1.00 0.47 N ATOM 1771 CA LEU A 431 108.202 3.517 1.940 1.00 0.56 C ATOM 1772 C LEU A 431 107.008 4.087 2.693 1.00 0.54 C ATOM 1773 O LEU A 431 106.794 3.778 3.843 1.00 0.59 O ATOM 1774 CB LEU A 431 107.774 2.286 1.144 1.00 0.59 C ATOM 1775 CG LEU A 431 108.963 1.721 0.378 1.00 0.59 C ATOM 1776 CD1 LEU A 431 108.466 0.630 -0.567 1.00 1.14 C ATOM 1777 CD2 LEU A 431 109.622 2.836 -0.436 1.00 1.40 C ATOM 0 H LEU A 431 109.097 2.068 3.222 1.00 0.47 H new ATOM 0 HA LEU A 431 108.604 4.289 1.284 1.00 0.56 H new ATOM 0 HB2 LEU A 431 107.372 1.529 1.817 1.00 0.59 H new ATOM 0 HB3 LEU A 431 106.976 2.551 0.450 1.00 0.59 H new ATOM 0 HG LEU A 431 109.690 1.306 1.076 1.00 0.59 H new ATOM 0 HD11 LEU A 431 109.309 0.217 -1.122 1.00 1.14 H new ATOM 0 HD12 LEU A 431 107.989 -0.162 0.010 1.00 1.14 H new ATOM 0 HD13 LEU A 431 107.745 1.054 -1.266 1.00 1.14 H new ATOM 0 HD21 LEU A 431 110.473 2.432 -0.984 1.00 1.40 H new ATOM 0 HD22 LEU A 431 108.899 3.248 -1.140 1.00 1.40 H new ATOM 0 HD23 LEU A 431 109.964 3.623 0.236 1.00 1.40 H new ATOM 1789 N VAL A 432 106.197 4.865 2.055 1.00 0.49 N ATOM 1790 CA VAL A 432 104.989 5.379 2.755 1.00 0.48 C ATOM 1791 C VAL A 432 103.731 5.049 1.953 1.00 0.48 C ATOM 1792 O VAL A 432 103.723 5.102 0.739 1.00 0.52 O ATOM 1793 CB VAL A 432 105.194 6.885 2.858 1.00 0.43 C ATOM 1794 CG1 VAL A 432 104.031 7.509 3.630 1.00 0.45 C ATOM 1795 CG2 VAL A 432 106.505 7.172 3.593 1.00 0.51 C ATOM 0 H VAL A 432 106.310 5.169 1.088 1.00 0.49 H new ATOM 0 HA VAL A 432 104.858 4.926 3.738 1.00 0.48 H new ATOM 0 HB VAL A 432 105.236 7.314 1.857 1.00 0.43 H new ATOM 0 HG11 VAL A 432 104.179 8.586 3.703 1.00 0.45 H new ATOM 0 HG12 VAL A 432 103.096 7.306 3.107 1.00 0.45 H new ATOM 0 HG13 VAL A 432 103.987 7.080 4.631 1.00 0.45 H new ATOM 0 HG21 VAL A 432 106.652 8.249 3.667 1.00 0.51 H new ATOM 0 HG22 VAL A 432 106.463 6.742 4.594 1.00 0.51 H new ATOM 0 HG23 VAL A 432 107.335 6.729 3.043 1.00 0.51 H new ATOM 1805 N VAL A 433 102.679 4.685 2.628 1.00 0.44 N ATOM 1806 CA VAL A 433 101.420 4.327 1.924 1.00 0.45 C ATOM 1807 C VAL A 433 100.296 5.260 2.371 1.00 0.37 C ATOM 1808 O VAL A 433 100.137 5.536 3.546 1.00 0.37 O ATOM 1809 CB VAL A 433 101.122 2.889 2.346 1.00 0.56 C ATOM 1810 CG1 VAL A 433 99.916 2.365 1.566 1.00 0.59 C ATOM 1811 CG2 VAL A 433 102.340 2.009 2.052 1.00 1.08 C ATOM 0 H VAL A 433 102.638 4.620 3.645 1.00 0.44 H new ATOM 0 HA VAL A 433 101.507 4.420 0.841 1.00 0.45 H new ATOM 0 HB VAL A 433 100.902 2.863 3.413 1.00 0.56 H new ATOM 0 HG11 VAL A 433 99.705 1.339 1.868 1.00 0.59 H new ATOM 0 HG12 VAL A 433 99.048 2.991 1.774 1.00 0.59 H new ATOM 0 HG13 VAL A 433 100.134 2.391 0.498 1.00 0.59 H new ATOM 0 HG21 VAL A 433 102.129 0.983 2.353 1.00 1.08 H new ATOM 0 HG22 VAL A 433 102.560 2.036 0.985 1.00 1.08 H new ATOM 0 HG23 VAL A 433 103.200 2.380 2.609 1.00 1.08 H new ATOM 1821 N VAL A 434 99.488 5.706 1.450 1.00 0.43 N ATOM 1822 CA VAL A 434 98.337 6.578 1.821 1.00 0.43 C ATOM 1823 C VAL A 434 97.039 5.993 1.263 1.00 0.48 C ATOM 1824 O VAL A 434 97.035 5.354 0.231 1.00 0.90 O ATOM 1825 CB VAL A 434 98.634 7.943 1.181 1.00 0.53 C ATOM 1826 CG1 VAL A 434 100.105 8.303 1.392 1.00 0.70 C ATOM 1827 CG2 VAL A 434 98.328 7.900 -0.320 1.00 0.49 C ATOM 0 H VAL A 434 99.575 5.504 0.454 1.00 0.43 H new ATOM 0 HA VAL A 434 98.215 6.661 2.901 1.00 0.43 H new ATOM 0 HB VAL A 434 98.004 8.697 1.652 1.00 0.53 H new ATOM 0 HG11 VAL A 434 100.311 9.272 0.937 1.00 0.70 H new ATOM 0 HG12 VAL A 434 100.318 8.351 2.460 1.00 0.70 H new ATOM 0 HG13 VAL A 434 100.735 7.543 0.930 1.00 0.70 H new ATOM 0 HG21 VAL A 434 98.542 8.873 -0.763 1.00 0.49 H new ATOM 0 HG22 VAL A 434 98.948 7.140 -0.796 1.00 0.49 H new ATOM 0 HG23 VAL A 434 97.276 7.657 -0.470 1.00 0.49 H new ATOM 1837 N GLU A 435 95.932 6.435 1.782 1.00 0.61 N ATOM 1838 CA GLU A 435 94.640 6.155 1.104 1.00 0.60 C ATOM 1839 C GLU A 435 94.006 7.473 0.686 1.00 0.62 C ATOM 1840 O GLU A 435 93.943 8.412 1.454 1.00 0.67 O ATOM 1841 CB GLU A 435 93.777 5.440 2.141 1.00 0.70 C ATOM 1842 CG GLU A 435 93.807 3.941 1.868 1.00 0.76 C ATOM 1843 CD GLU A 435 92.905 3.218 2.871 1.00 1.13 C ATOM 1844 OE1 GLU A 435 92.422 3.872 3.781 1.00 1.79 O ATOM 1845 OE2 GLU A 435 92.714 2.023 2.713 1.00 1.34 O ATOM 0 H GLU A 435 95.865 6.977 2.644 1.00 0.61 H new ATOM 0 HA GLU A 435 94.757 5.545 0.209 1.00 0.60 H new ATOM 0 HB2 GLU A 435 94.147 5.647 3.145 1.00 0.70 H new ATOM 0 HB3 GLU A 435 92.753 5.810 2.097 1.00 0.70 H new ATOM 0 HG2 GLU A 435 93.471 3.740 0.851 1.00 0.76 H new ATOM 0 HG3 GLU A 435 94.828 3.567 1.947 1.00 0.76 H new ATOM 1852 N GLY A 436 93.697 7.610 -0.568 1.00 0.61 N ATOM 1853 CA GLY A 436 93.258 8.941 -1.063 1.00 0.64 C ATOM 1854 C GLY A 436 94.430 9.921 -0.953 1.00 0.68 C ATOM 1855 O GLY A 436 95.385 9.847 -1.699 1.00 1.42 O ATOM 0 H GLY A 436 93.728 6.868 -1.267 1.00 0.61 H new ATOM 0 HA2 GLY A 436 92.924 8.867 -2.098 1.00 0.64 H new ATOM 0 HA3 GLY A 436 92.410 9.300 -0.479 1.00 0.64 H new ATOM 1859 N SER A 437 94.346 10.859 -0.050 1.00 0.84 N ATOM 1860 CA SER A 437 95.435 11.870 0.084 1.00 0.81 C ATOM 1861 C SER A 437 96.056 11.822 1.487 1.00 0.83 C ATOM 1862 O SER A 437 96.774 12.718 1.881 1.00 1.35 O ATOM 1863 CB SER A 437 94.746 13.214 -0.144 1.00 0.80 C ATOM 1864 OG SER A 437 94.075 13.606 1.047 1.00 1.42 O ATOM 0 H SER A 437 93.570 10.970 0.602 1.00 0.84 H new ATOM 0 HA SER A 437 96.247 11.691 -0.621 1.00 0.81 H new ATOM 0 HB2 SER A 437 95.480 13.969 -0.427 1.00 0.80 H new ATOM 0 HB3 SER A 437 94.035 13.136 -0.967 1.00 0.80 H new ATOM 0 HG SER A 437 93.633 14.469 0.905 1.00 1.42 H new ATOM 1870 N ARG A 438 95.747 10.817 2.265 1.00 0.53 N ATOM 1871 CA ARG A 438 96.284 10.771 3.659 1.00 0.62 C ATOM 1872 C ARG A 438 97.114 9.500 3.867 1.00 0.65 C ATOM 1873 O ARG A 438 96.821 8.458 3.314 1.00 0.69 O ATOM 1874 CB ARG A 438 95.046 10.758 4.555 1.00 0.78 C ATOM 1875 CG ARG A 438 94.398 9.376 4.503 1.00 1.34 C ATOM 1876 CD ARG A 438 92.986 9.450 5.087 1.00 1.53 C ATOM 1877 NE ARG A 438 92.508 8.039 5.119 1.00 2.25 N ATOM 1878 CZ ARG A 438 91.276 7.770 5.463 1.00 2.95 C ATOM 1879 NH1 ARG A 438 90.455 8.737 5.779 1.00 3.49 N ATOM 1880 NH2 ARG A 438 90.863 6.533 5.488 1.00 3.52 N ATOM 0 H ARG A 438 95.152 10.033 1.999 1.00 0.53 H new ATOM 0 HA ARG A 438 96.939 11.614 3.879 1.00 0.62 H new ATOM 0 HB2 ARG A 438 95.323 11.004 5.580 1.00 0.78 H new ATOM 0 HB3 ARG A 438 94.337 11.517 4.225 1.00 0.78 H new ATOM 0 HG2 ARG A 438 94.359 9.020 3.474 1.00 1.34 H new ATOM 0 HG3 ARG A 438 94.998 8.660 5.065 1.00 1.34 H new ATOM 0 HD2 ARG A 438 92.994 9.887 6.086 1.00 1.53 H new ATOM 0 HD3 ARG A 438 92.337 10.073 4.472 1.00 1.53 H new ATOM 0 HE ARG A 438 93.144 7.281 4.872 1.00 2.25 H new ATOM 0 HH11 ARG A 438 90.775 9.705 5.758 1.00 3.49 H new ATOM 0 HH12 ARG A 438 89.494 8.523 6.047 1.00 3.49 H new ATOM 0 HH21 ARG A 438 91.501 5.777 5.239 1.00 3.52 H new ATOM 0 HH22 ARG A 438 89.902 6.322 5.756 1.00 3.52 H new ATOM 1894 N VAL A 439 98.171 9.592 4.622 1.00 0.67 N ATOM 1895 CA VAL A 439 99.061 8.409 4.815 1.00 0.74 C ATOM 1896 C VAL A 439 98.458 7.438 5.831 1.00 0.93 C ATOM 1897 O VAL A 439 98.158 7.803 6.950 1.00 1.41 O ATOM 1898 CB VAL A 439 100.372 8.988 5.347 1.00 0.89 C ATOM 1899 CG1 VAL A 439 101.408 7.870 5.477 1.00 0.99 C ATOM 1900 CG2 VAL A 439 100.890 10.051 4.375 1.00 0.86 C ATOM 0 H VAL A 439 98.460 10.436 5.116 1.00 0.67 H new ATOM 0 HA VAL A 439 99.200 7.848 3.891 1.00 0.74 H new ATOM 0 HB VAL A 439 100.200 9.440 6.324 1.00 0.89 H new ATOM 0 HG11 VAL A 439 102.343 8.283 5.856 1.00 0.99 H new ATOM 0 HG12 VAL A 439 101.040 7.111 6.167 1.00 0.99 H new ATOM 0 HG13 VAL A 439 101.581 7.419 4.500 1.00 0.99 H new ATOM 0 HG21 VAL A 439 101.825 10.465 4.753 1.00 0.86 H new ATOM 0 HG22 VAL A 439 101.062 9.598 3.399 1.00 0.86 H new ATOM 0 HG23 VAL A 439 100.152 10.848 4.280 1.00 0.86 H new ATOM 1910 N LEU A 440 98.322 6.192 5.465 1.00 0.79 N ATOM 1911 CA LEU A 440 97.789 5.190 6.432 1.00 1.07 C ATOM 1912 C LEU A 440 98.924 4.589 7.268 1.00 0.74 C ATOM 1913 O LEU A 440 98.717 4.192 8.395 1.00 0.88 O ATOM 1914 CB LEU A 440 97.104 4.111 5.588 1.00 1.60 C ATOM 1915 CG LEU A 440 98.047 3.617 4.492 1.00 1.48 C ATOM 1916 CD1 LEU A 440 98.233 2.106 4.623 1.00 1.79 C ATOM 1917 CD2 LEU A 440 97.437 3.930 3.126 1.00 1.57 C ATOM 0 H LEU A 440 98.556 5.826 4.542 1.00 0.79 H new ATOM 0 HA LEU A 440 97.091 5.646 7.134 1.00 1.07 H new ATOM 0 HB2 LEU A 440 96.806 3.277 6.224 1.00 1.60 H new ATOM 0 HB3 LEU A 440 96.194 4.512 5.141 1.00 1.60 H new ATOM 0 HG LEU A 440 99.012 4.114 4.590 1.00 1.48 H new ATOM 0 HD11 LEU A 440 98.906 1.753 3.841 1.00 1.79 H new ATOM 0 HD12 LEU A 440 98.659 1.875 5.600 1.00 1.79 H new ATOM 0 HD13 LEU A 440 97.267 1.610 4.522 1.00 1.79 H new ATOM 0 HD21 LEU A 440 98.106 3.580 2.340 1.00 1.57 H new ATOM 0 HD22 LEU A 440 96.474 3.428 3.034 1.00 1.57 H new ATOM 0 HD23 LEU A 440 97.295 5.006 3.029 1.00 1.57 H new ATOM 1929 N GLY A 441 100.124 4.535 6.747 1.00 0.64 N ATOM 1930 CA GLY A 441 101.246 3.976 7.563 1.00 1.02 C ATOM 1931 C GLY A 441 102.553 3.961 6.764 1.00 0.82 C ATOM 1932 O GLY A 441 102.621 4.432 5.648 1.00 0.96 O ATOM 0 H GLY A 441 100.374 4.848 5.809 1.00 0.64 H new ATOM 0 HA2 GLY A 441 101.375 4.572 8.467 1.00 1.02 H new ATOM 0 HA3 GLY A 441 100.999 2.963 7.882 1.00 1.02 H new ATOM 1936 N VAL A 442 103.602 3.445 7.354 1.00 0.56 N ATOM 1937 CA VAL A 442 104.930 3.419 6.669 1.00 0.44 C ATOM 1938 C VAL A 442 105.424 1.973 6.538 1.00 0.41 C ATOM 1939 O VAL A 442 105.066 1.114 7.319 1.00 0.41 O ATOM 1940 CB VAL A 442 105.860 4.207 7.587 1.00 0.42 C ATOM 1941 CG1 VAL A 442 107.265 4.228 6.986 1.00 0.44 C ATOM 1942 CG2 VAL A 442 105.341 5.639 7.732 1.00 0.57 C ATOM 0 H VAL A 442 103.595 3.037 8.289 1.00 0.56 H new ATOM 0 HA VAL A 442 104.886 3.841 5.665 1.00 0.44 H new ATOM 0 HB VAL A 442 105.892 3.734 8.569 1.00 0.42 H new ATOM 0 HG11 VAL A 442 107.932 4.790 7.640 1.00 0.44 H new ATOM 0 HG12 VAL A 442 107.633 3.207 6.884 1.00 0.44 H new ATOM 0 HG13 VAL A 442 107.234 4.702 6.005 1.00 0.44 H new ATOM 0 HG21 VAL A 442 106.005 6.202 8.388 1.00 0.57 H new ATOM 0 HG22 VAL A 442 105.309 6.115 6.752 1.00 0.57 H new ATOM 0 HG23 VAL A 442 104.339 5.621 8.160 1.00 0.57 H new ATOM 1952 N ILE A 443 106.246 1.695 5.562 1.00 0.42 N ATOM 1953 CA ILE A 443 106.759 0.300 5.395 1.00 0.43 C ATOM 1954 C ILE A 443 108.287 0.273 5.427 1.00 0.44 C ATOM 1955 O ILE A 443 108.948 0.989 4.711 1.00 0.51 O ATOM 1956 CB ILE A 443 106.256 -0.158 4.028 1.00 0.47 C ATOM 1957 CG1 ILE A 443 104.758 0.135 3.903 1.00 0.51 C ATOM 1958 CG2 ILE A 443 106.493 -1.662 3.880 1.00 0.56 C ATOM 1959 CD1 ILE A 443 104.035 -0.356 5.158 1.00 1.05 C ATOM 0 H ILE A 443 106.585 2.369 4.875 1.00 0.42 H new ATOM 0 HA ILE A 443 106.414 -0.349 6.200 1.00 0.43 H new ATOM 0 HB ILE A 443 106.794 0.378 3.246 1.00 0.47 H new ATOM 0 HG12 ILE A 443 104.596 1.205 3.772 1.00 0.51 H new ATOM 0 HG13 ILE A 443 104.353 -0.359 3.020 1.00 0.51 H new ATOM 0 HG21 ILE A 443 106.135 -1.993 2.905 1.00 0.56 H new ATOM 0 HG22 ILE A 443 107.559 -1.873 3.966 1.00 0.56 H new ATOM 0 HG23 ILE A 443 105.954 -2.194 4.664 1.00 0.56 H new ATOM 0 HD11 ILE A 443 102.969 -0.147 5.069 1.00 1.05 H new ATOM 0 HD12 ILE A 443 104.187 -1.430 5.269 1.00 1.05 H new ATOM 0 HD13 ILE A 443 104.434 0.159 6.032 1.00 1.05 H new ATOM 1971 N ALA A 444 108.843 -0.580 6.232 1.00 0.40 N ATOM 1972 CA ALA A 444 110.327 -0.698 6.299 1.00 0.44 C ATOM 1973 C ALA A 444 110.792 -1.907 5.484 1.00 0.43 C ATOM 1974 O ALA A 444 110.371 -3.018 5.722 1.00 0.45 O ATOM 1975 CB ALA A 444 110.634 -0.913 7.781 1.00 0.46 C ATOM 0 H ALA A 444 108.332 -1.207 6.853 1.00 0.40 H new ATOM 0 HA ALA A 444 110.833 0.179 5.895 1.00 0.44 H new ATOM 0 HB1 ALA A 444 111.711 -1.010 7.919 1.00 0.46 H new ATOM 0 HB2 ALA A 444 110.270 -0.061 8.355 1.00 0.46 H new ATOM 0 HB3 ALA A 444 110.140 -1.821 8.127 1.00 0.46 H new ATOM 1981 N LEU A 445 111.631 -1.701 4.508 1.00 0.57 N ATOM 1982 CA LEU A 445 112.082 -2.849 3.671 1.00 0.63 C ATOM 1983 C LEU A 445 113.475 -3.309 4.098 1.00 0.75 C ATOM 1984 O LEU A 445 114.391 -2.516 4.192 1.00 0.92 O ATOM 1985 CB LEU A 445 112.130 -2.310 2.243 1.00 0.81 C ATOM 1986 CG LEU A 445 110.770 -2.492 1.572 1.00 1.23 C ATOM 1987 CD1 LEU A 445 109.665 -1.999 2.508 1.00 2.11 C ATOM 1988 CD2 LEU A 445 110.733 -1.682 0.274 1.00 1.91 C ATOM 0 H LEU A 445 112.022 -0.794 4.254 1.00 0.57 H new ATOM 0 HA LEU A 445 111.415 -3.705 3.769 1.00 0.63 H new ATOM 0 HB2 LEU A 445 112.402 -1.255 2.252 1.00 0.81 H new ATOM 0 HB3 LEU A 445 112.899 -2.832 1.674 1.00 0.81 H new ATOM 0 HG LEU A 445 110.613 -3.548 1.351 1.00 1.23 H new ATOM 0 HD11 LEU A 445 108.696 -2.130 2.027 1.00 2.11 H new ATOM 0 HD12 LEU A 445 109.691 -2.572 3.435 1.00 2.11 H new ATOM 0 HD13 LEU A 445 109.820 -0.943 2.730 1.00 2.11 H new ATOM 0 HD21 LEU A 445 109.763 -1.810 -0.207 1.00 1.91 H new ATOM 0 HD22 LEU A 445 110.890 -0.627 0.499 1.00 1.91 H new ATOM 0 HD23 LEU A 445 111.519 -2.031 -0.395 1.00 1.91 H new ATOM 2000 N LYS A 446 113.683 -4.595 4.167 1.00 0.89 N ATOM 2001 CA LYS A 446 115.060 -5.116 4.364 1.00 1.15 C ATOM 2002 C LYS A 446 115.758 -5.220 3.012 1.00 1.27 C ATOM 2003 O LYS A 446 115.169 -5.623 2.032 1.00 1.87 O ATOM 2004 CB LYS A 446 114.869 -6.503 4.960 1.00 1.92 C ATOM 2005 CG LYS A 446 116.199 -7.024 5.497 1.00 2.25 C ATOM 2006 CD LYS A 446 115.997 -8.440 6.029 1.00 2.85 C ATOM 2007 CE LYS A 446 117.273 -8.913 6.730 1.00 3.64 C ATOM 2008 NZ LYS A 446 116.872 -9.140 8.146 1.00 4.48 N ATOM 0 H LYS A 446 112.956 -5.307 4.095 1.00 0.89 H new ATOM 0 HA LYS A 446 115.666 -4.475 5.004 1.00 1.15 H new ATOM 0 HB2 LYS A 446 114.132 -6.465 5.762 1.00 1.92 H new ATOM 0 HB3 LYS A 446 114.481 -7.184 4.202 1.00 1.92 H new ATOM 0 HG2 LYS A 446 116.951 -7.022 4.708 1.00 2.25 H new ATOM 0 HG3 LYS A 446 116.567 -6.372 6.290 1.00 2.25 H new ATOM 0 HD2 LYS A 446 115.159 -8.461 6.725 1.00 2.85 H new ATOM 0 HD3 LYS A 446 115.749 -9.115 5.210 1.00 2.85 H new ATOM 0 HE2 LYS A 446 117.657 -9.827 6.277 1.00 3.64 H new ATOM 0 HE3 LYS A 446 118.063 -8.166 6.658 1.00 3.64 H new ATOM 0 HZ1 LYS A 446 117.695 -9.467 8.692 1.00 4.48 H new ATOM 0 HZ2 LYS A 446 116.517 -8.251 8.553 1.00 4.48 H new ATOM 0 HZ3 LYS A 446 116.123 -9.861 8.184 1.00 4.48 H new ATOM 2022 N ASP A 447 116.994 -4.837 2.941 1.00 1.33 N ATOM 2023 CA ASP A 447 117.706 -4.893 1.634 1.00 2.04 C ATOM 2024 C ASP A 447 118.513 -6.188 1.520 1.00 1.83 C ATOM 2025 O ASP A 447 119.289 -6.527 2.391 1.00 2.21 O ATOM 2026 CB ASP A 447 118.632 -3.681 1.631 1.00 2.93 C ATOM 2027 CG ASP A 447 117.798 -2.400 1.660 1.00 3.02 C ATOM 2028 OD1 ASP A 447 116.608 -2.485 1.401 1.00 2.75 O ATOM 2029 OD2 ASP A 447 118.362 -1.355 1.942 1.00 3.91 O ATOM 0 H ASP A 447 117.545 -4.488 3.725 1.00 1.33 H new ATOM 0 HA ASP A 447 117.015 -4.878 0.791 1.00 2.04 H new ATOM 0 HB2 ASP A 447 119.295 -3.715 2.495 1.00 2.93 H new ATOM 0 HB3 ASP A 447 119.264 -3.696 0.743 1.00 2.93 H new ATOM 2034 N ILE A 448 118.395 -6.872 0.415 1.00 2.00 N ATOM 2035 CA ILE A 448 119.223 -8.094 0.203 1.00 2.26 C ATOM 2036 C ILE A 448 120.706 -7.725 0.276 1.00 2.39 C ATOM 2037 O ILE A 448 121.487 -8.366 0.950 1.00 2.75 O ATOM 2038 CB ILE A 448 118.854 -8.584 -1.203 1.00 2.53 C ATOM 2039 CG1 ILE A 448 117.529 -9.353 -1.157 1.00 3.34 C ATOM 2040 CG2 ILE A 448 119.950 -9.512 -1.735 1.00 2.71 C ATOM 2041 CD1 ILE A 448 116.506 -8.590 -0.312 1.00 3.61 C ATOM 0 H ILE A 448 117.762 -6.638 -0.350 1.00 2.00 H new ATOM 0 HA ILE A 448 119.043 -8.862 0.956 1.00 2.26 H new ATOM 0 HB ILE A 448 118.753 -7.720 -1.860 1.00 2.53 H new ATOM 0 HG12 ILE A 448 117.145 -9.493 -2.168 1.00 3.34 H new ATOM 0 HG13 ILE A 448 117.690 -10.346 -0.737 1.00 3.34 H new ATOM 0 HG21 ILE A 448 119.682 -9.857 -2.734 1.00 2.71 H new ATOM 0 HG22 ILE A 448 120.895 -8.971 -1.779 1.00 2.71 H new ATOM 0 HG23 ILE A 448 120.054 -10.370 -1.071 1.00 2.71 H new ATOM 0 HD11 ILE A 448 115.569 -9.146 -0.286 1.00 3.61 H new ATOM 0 HD12 ILE A 448 116.887 -8.473 0.703 1.00 3.61 H new ATOM 0 HD13 ILE A 448 116.333 -7.607 -0.750 1.00 3.61 H new ATOM 2053 N VAL A 449 121.097 -6.707 -0.438 1.00 2.65 N ATOM 2054 CA VAL A 449 122.532 -6.302 -0.444 1.00 3.38 C ATOM 2055 C VAL A 449 122.738 -5.074 0.447 1.00 3.99 C ATOM 2056 O VAL A 449 121.989 -4.120 0.388 1.00 4.70 O ATOM 2057 CB VAL A 449 122.836 -5.959 -1.901 1.00 4.18 C ATOM 2058 CG1 VAL A 449 124.318 -5.611 -2.046 1.00 5.09 C ATOM 2059 CG2 VAL A 449 122.506 -7.163 -2.786 1.00 4.27 C ATOM 0 H VAL A 449 120.484 -6.136 -1.020 1.00 2.65 H new ATOM 0 HA VAL A 449 123.185 -7.086 -0.062 1.00 3.38 H new ATOM 0 HB VAL A 449 122.232 -5.105 -2.207 1.00 4.18 H new ATOM 0 HG11 VAL A 449 124.534 -5.366 -3.086 1.00 5.09 H new ATOM 0 HG12 VAL A 449 124.554 -4.754 -1.415 1.00 5.09 H new ATOM 0 HG13 VAL A 449 124.924 -6.464 -1.741 1.00 5.09 H new ATOM 0 HG21 VAL A 449 122.722 -6.920 -3.826 1.00 4.27 H new ATOM 0 HG22 VAL A 449 123.111 -8.017 -2.479 1.00 4.27 H new ATOM 0 HG23 VAL A 449 121.450 -7.411 -2.684 1.00 4.27 H new ATOM 2069 N LYS A 450 123.755 -5.086 1.265 1.00 4.08 N ATOM 2070 CA LYS A 450 124.013 -3.914 2.149 1.00 5.12 C ATOM 2071 C LYS A 450 124.987 -2.945 1.473 1.00 5.65 C ATOM 2072 O LYS A 450 125.897 -3.351 0.777 1.00 6.68 O ATOM 2073 CB LYS A 450 124.634 -4.502 3.416 1.00 5.87 C ATOM 2074 CG LYS A 450 123.611 -5.396 4.119 1.00 5.93 C ATOM 2075 CD LYS A 450 124.233 -5.986 5.386 1.00 6.39 C ATOM 2076 CE LYS A 450 124.452 -4.874 6.413 1.00 6.77 C ATOM 2077 NZ LYS A 450 125.178 -5.528 7.539 1.00 7.50 N ATOM 0 H LYS A 450 124.418 -5.856 1.359 1.00 4.08 H new ATOM 0 HA LYS A 450 123.104 -3.352 2.364 1.00 5.12 H new ATOM 0 HB2 LYS A 450 125.524 -5.079 3.164 1.00 5.87 H new ATOM 0 HB3 LYS A 450 124.952 -3.701 4.083 1.00 5.87 H new ATOM 0 HG2 LYS A 450 122.722 -4.819 4.373 1.00 5.93 H new ATOM 0 HG3 LYS A 450 123.292 -6.196 3.451 1.00 5.93 H new ATOM 0 HD2 LYS A 450 123.580 -6.755 5.800 1.00 6.39 H new ATOM 0 HD3 LYS A 450 125.181 -6.468 5.148 1.00 6.39 H new ATOM 0 HE2 LYS A 450 125.034 -4.055 5.990 1.00 6.77 H new ATOM 0 HE3 LYS A 450 123.504 -4.452 6.746 1.00 6.77 H new ATOM 0 HZ1 LYS A 450 125.365 -4.828 8.285 1.00 7.50 H new ATOM 0 HZ2 LYS A 450 124.597 -6.299 7.926 1.00 7.50 H new ATOM 0 HZ3 LYS A 450 126.080 -5.914 7.193 1.00 7.50 H new ATOM 2091 N GLY A 451 124.804 -1.669 1.671 1.00 5.14 N ATOM 2092 CA GLY A 451 125.718 -0.677 1.038 1.00 5.92 C ATOM 2093 C GLY A 451 127.041 -0.641 1.805 1.00 6.73 C ATOM 2094 O GLY A 451 128.037 -1.076 1.250 1.00 7.01 O ATOM 2095 OXT GLY A 451 127.037 -0.178 2.934 1.00 7.30 O ATOM 0 H GLY A 451 124.061 -1.270 2.244 1.00 5.14 H new ATOM 0 HA2 GLY A 451 125.896 -0.944 -0.004 1.00 5.92 H new ATOM 0 HA3 GLY A 451 125.257 0.311 1.040 1.00 5.92 H new TER 2099 GLY A 451 HETATM 2100 PG ANP A1001 115.025 -0.743 -9.919 1.00 0.00 P HETATM 2101 O1G ANP A1001 114.861 -0.843 -11.414 1.00 0.00 O HETATM 2102 O2G ANP A1001 116.480 -0.798 -9.528 1.00 0.00 O HETATM 2103 O3G ANP A1001 114.231 -1.812 -9.213 1.00 0.00 O HETATM 2104 PB ANP A1001 115.460 1.934 -9.606 1.00 0.00 P HETATM 2105 O1B ANP A1001 116.824 1.481 -9.168 1.00 0.00 O HETATM 2106 O2B ANP A1001 115.445 2.378 -11.041 1.00 0.00 O HETATM 2107 N3B ANP A1001 114.442 0.686 -9.455 1.00 0.00 N HETATM 2108 PA ANP A1001 115.647 3.687 -7.381 1.00 0.00 P HETATM 2109 O1A ANP A1001 116.869 2.885 -7.129 1.00 0.00 O HETATM 2110 O2A ANP A1001 115.858 5.130 -7.646 1.00 0.00 O HETATM 2111 O3A ANP A1001 114.824 3.033 -8.612 1.00 0.00 O HETATM 2112 O5' ANP A1001 114.630 3.516 -6.133 1.00 0.00 O HETATM 2113 C5' ANP A1001 113.376 2.803 -6.234 1.00 0.00 C HETATM 2114 C4' ANP A1001 112.339 3.451 -5.327 1.00 0.00 C HETATM 2115 O4' ANP A1001 111.026 3.175 -5.879 1.00 0.00 O HETATM 2116 C3' ANP A1001 112.454 2.658 -4.039 1.00 0.00 C HETATM 2117 O3' ANP A1001 113.425 3.211 -3.159 1.00 0.00 O HETATM 2118 C2' ANP A1001 111.067 2.789 -3.469 1.00 0.00 C HETATM 2119 O2' ANP A1001 110.941 3.948 -2.656 1.00 0.00 O HETATM 2120 C1' ANP A1001 110.193 2.901 -4.714 1.00 0.00 C HETATM 2121 N9 ANP A1001 109.496 1.600 -4.969 1.00 0.00 N HETATM 2122 C8 ANP A1001 110.107 0.420 -5.121 1.00 0.00 C HETATM 2123 N7 ANP A1001 109.207 -0.553 -5.301 1.00 0.00 N HETATM 2124 C5 ANP A1001 108.006 0.007 -5.277 1.00 0.00 C HETATM 2125 C6 ANP A1001 106.661 -0.452 -5.384 1.00 0.00 C HETATM 2126 N6 ANP A1001 106.396 -1.745 -5.537 1.00 0.00 N HETATM 2127 N1 ANP A1001 105.625 0.449 -5.306 1.00 0.00 N HETATM 2128 C2 ANP A1001 105.819 1.793 -5.124 1.00 0.00 C HETATM 2129 N3 ANP A1001 107.098 2.248 -5.034 1.00 0.00 N HETATM 2130 C4 ANP A1001 108.189 1.398 -5.078 1.00 0.00 C HETATM 0 HO3' ANP A1001 112.977 3.585 -2.371 1.00 0.00 H new HETATM 0 HO2' ANP A1001 110.801 4.733 -3.225 1.00 0.00 H new HETATM 0 HNB1 ANP A1001 113.496 0.796 -9.091 1.00 0.00 H new HETATM 0 HN62 ANP A1001 105.429 -2.062 -5.612 1.00 0.00 H new HETATM 0 HN61 ANP A1001 107.159 -2.421 -5.579 1.00 0.00 H new HETATM 0 H5'2 ANP A1001 113.025 2.810 -7.266 1.00 0.00 H new HETATM 0 H5'1 ANP A1001 113.517 1.759 -5.953 1.00 0.00 H new HETATM 0 H8 ANP A1001 111.187 0.272 -5.101 1.00 0.00 H new HETATM 0 H4' ANP A1001 112.479 4.525 -5.207 1.00 0.00 H new HETATM 0 H3' ANP A1001 112.778 1.629 -4.192 1.00 0.00 H new HETATM 0 H2' ANP A1001 110.797 1.955 -2.821 1.00 0.00 H new HETATM 0 H2 ANP A1001 104.974 2.477 -5.053 1.00 0.00 H new HETATM 0 H1' ANP A1001 109.472 3.702 -4.552 1.00 0.00 H new