USER MOD reduce.3.24.130724 H: found=0, std=0, add=899, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 899 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 404 HIS : no HD1:sc= -2.68! C(o=-2.6!,f=-4.4!) USER MOD Set 1.2: A 408 ASN :FLIP amide:sc= 0.0349 F(o=-3.2,f=-2.6) USER MOD Single : A 318 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 320 SER OG : rot -150:sc= -0.0357 USER MOD Single : A 326 GLN : amide:sc= -0.439 K(o=-0.44,f=-2.3!) USER MOD Single : A 331 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 332 THR OG1 : rot -167:sc= -1.8! USER MOD Single : A 338 GLN : amide:sc= -15.9! C(o=-16!,f=-20!) USER MOD Single : A 341 SER OG : rot -18:sc= -3.9! USER MOD Single : A 351 SER OG : rot 31:sc= -6.05! USER MOD Single : A 368 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 369 SER OG : rot -42:sc= -1.78! USER MOD Single : A 371 HIS : no HD1:sc= -0.0484 X(o=-0.048,f=-0.046) 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 -106:sc= -4.58! (180deg=-11.3!) USER MOD Single : A 384 SER OG : rot 88:sc= 0.0746 USER MOD Single : A 387 ASN :FLIP amide:sc= -3.9! C(o=-6.1!,f=-3.9!) USER MOD Single : A 390 ASN : amide:sc= -1.07 K(o=-1.1,f=-6.6!) USER MOD Single : A 392 MET CE :methyl -147:sc= -0.315 (180deg=-1.92!) USER MOD Single : A 395 LYS NZ :NH3+ 175:sc= -7.52! (180deg=-7.92!) USER MOD Single : A 397 SER OG : rot -120:sc= -2.42! USER MOD Single : A 411 HIS : no HD1:sc= -0.523 K(o=-0.52,f=-1.4) USER MOD Single : A 414 THR OG1 : rot 180:sc= 0 USER MOD Single : A 418 GLN : amide:sc= -2.13! C(o=-2.1!,f=-2.4!) USER MOD Single : A 419 LYS NZ :NH3+ -156:sc= -0.0984 (180deg=-0.977) USER MOD Single : A 422 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 426 GLN : amide:sc= -0.456 K(o=-0.46,f=-2.2!) USER MOD Single : A 429 THR OG1 : rot 180:sc= 0 USER MOD Single : A 437 SER OG : rot 180:sc= 0 USER MOD Single : A 446 LYS NZ :NH3+ -129:sc=-0.00438 (180deg=-0.235) USER MOD ----------------------------------------------------------------- ATOM 39 N GLN A 318 113.384 -5.714 -0.181 1.00 2.19 N ATOM 40 CA GLN A 318 112.103 -6.440 0.055 1.00 2.64 C ATOM 41 C GLN A 318 111.429 -5.924 1.329 1.00 2.16 C ATOM 42 O GLN A 318 112.080 -5.654 2.316 1.00 2.69 O ATOM 43 CB GLN A 318 112.510 -7.905 0.223 1.00 3.37 C ATOM 44 CG GLN A 318 113.485 -8.033 1.394 1.00 4.16 C ATOM 45 CD GLN A 318 113.863 -9.503 1.586 1.00 4.79 C ATOM 46 OE1 GLN A 318 113.290 -10.376 0.966 1.00 4.85 O ATOM 47 NE2 GLN A 318 114.812 -9.816 2.426 1.00 5.58 N ATOM 0 HA GLN A 318 111.392 -6.301 -0.759 1.00 2.64 H new ATOM 0 HB2 GLN A 318 111.628 -8.520 0.401 1.00 3.37 H new ATOM 0 HB3 GLN A 318 112.974 -8.272 -0.692 1.00 3.37 H new ATOM 0 HG2 GLN A 318 114.379 -7.439 1.203 1.00 4.16 H new ATOM 0 HG3 GLN A 318 113.030 -7.642 2.304 1.00 4.16 H new ATOM 0 HE21 GLN A 318 115.294 -9.083 2.947 1.00 5.58 H new ATOM 0 HE22 GLN A 318 115.072 -10.793 2.561 1.00 5.58 H new ATOM 56 N ALA A 319 110.129 -5.811 1.329 1.00 1.32 N ATOM 57 CA ALA A 319 109.429 -5.340 2.559 1.00 1.05 C ATOM 58 C ALA A 319 109.540 -6.381 3.666 1.00 0.89 C ATOM 59 O ALA A 319 109.257 -7.546 3.467 1.00 1.18 O ATOM 60 CB ALA A 319 107.972 -5.170 2.149 1.00 1.42 C ATOM 0 H ALA A 319 109.524 -6.023 0.536 1.00 1.32 H new ATOM 0 HA ALA A 319 109.861 -4.415 2.942 1.00 1.05 H new ATOM 0 HB1 ALA A 319 107.391 -4.824 3.004 1.00 1.42 H new ATOM 0 HB2 ALA A 319 107.904 -4.438 1.344 1.00 1.42 H new ATOM 0 HB3 ALA A 319 107.577 -6.126 1.805 1.00 1.42 H new ATOM 66 N SER A 320 109.860 -5.957 4.853 1.00 0.59 N ATOM 67 CA SER A 320 109.880 -6.912 5.992 1.00 0.64 C ATOM 68 C SER A 320 108.786 -6.564 7.009 1.00 0.49 C ATOM 69 O SER A 320 108.183 -7.436 7.601 1.00 0.50 O ATOM 70 CB SER A 320 111.265 -6.761 6.617 1.00 0.78 C ATOM 71 OG SER A 320 112.162 -7.672 5.997 1.00 1.60 O ATOM 0 H SER A 320 110.108 -4.995 5.084 1.00 0.59 H new ATOM 0 HA SER A 320 109.689 -7.935 5.668 1.00 0.64 H new ATOM 0 HB2 SER A 320 111.623 -5.739 6.493 1.00 0.78 H new ATOM 0 HB3 SER A 320 111.216 -6.954 7.689 1.00 0.78 H new ATOM 0 HG SER A 320 112.854 -7.937 6.638 1.00 1.60 H new ATOM 77 N GLU A 321 108.573 -5.301 7.271 1.00 0.45 N ATOM 78 CA GLU A 321 107.574 -4.920 8.314 1.00 0.44 C ATOM 79 C GLU A 321 106.787 -3.675 7.897 1.00 0.37 C ATOM 80 O GLU A 321 107.327 -2.750 7.335 1.00 0.35 O ATOM 81 CB GLU A 321 108.398 -4.631 9.564 1.00 0.59 C ATOM 82 CG GLU A 321 107.465 -4.220 10.704 1.00 0.73 C ATOM 83 CD GLU A 321 108.295 -3.839 11.931 1.00 1.02 C ATOM 84 OE1 GLU A 321 109.511 -3.877 11.835 1.00 1.30 O ATOM 85 OE2 GLU A 321 107.700 -3.516 12.946 1.00 1.82 O ATOM 0 H GLU A 321 109.044 -4.521 6.812 1.00 0.45 H new ATOM 0 HA GLU A 321 106.840 -5.710 8.473 1.00 0.44 H new ATOM 0 HB2 GLU A 321 108.970 -5.514 9.848 1.00 0.59 H new ATOM 0 HB3 GLU A 321 109.117 -3.837 9.363 1.00 0.59 H new ATOM 0 HG2 GLU A 321 106.845 -3.378 10.395 1.00 0.73 H new ATOM 0 HG3 GLU A 321 106.790 -5.040 10.949 1.00 0.73 H new ATOM 92 N PHE A 322 105.546 -3.597 8.287 1.00 0.40 N ATOM 93 CA PHE A 322 104.754 -2.352 8.044 1.00 0.37 C ATOM 94 C PHE A 322 104.331 -1.725 9.374 1.00 0.38 C ATOM 95 O PHE A 322 104.059 -2.413 10.338 1.00 0.42 O ATOM 96 CB PHE A 322 103.528 -2.789 7.232 1.00 0.41 C ATOM 97 CG PHE A 322 103.012 -4.116 7.736 1.00 0.52 C ATOM 98 CD1 PHE A 322 102.314 -4.185 8.950 1.00 0.67 C ATOM 99 CD2 PHE A 322 103.231 -5.278 6.985 1.00 0.94 C ATOM 100 CE1 PHE A 322 101.835 -5.420 9.412 1.00 0.87 C ATOM 101 CE2 PHE A 322 102.753 -6.511 7.446 1.00 1.14 C ATOM 102 CZ PHE A 322 102.056 -6.583 8.660 1.00 1.00 C ATOM 0 H PHE A 322 105.041 -4.343 8.766 1.00 0.40 H new ATOM 0 HA PHE A 322 105.334 -1.600 7.510 1.00 0.37 H new ATOM 0 HB2 PHE A 322 102.745 -2.034 7.308 1.00 0.41 H new ATOM 0 HB3 PHE A 322 103.792 -2.870 6.178 1.00 0.41 H new ATOM 0 HD1 PHE A 322 102.145 -3.289 9.529 1.00 0.67 H new ATOM 0 HD2 PHE A 322 103.769 -5.223 6.050 1.00 0.94 H new ATOM 0 HE1 PHE A 322 101.296 -5.475 10.346 1.00 0.87 H new ATOM 0 HE2 PHE A 322 102.921 -7.406 6.866 1.00 1.14 H new ATOM 0 HZ PHE A 322 101.689 -7.534 9.016 1.00 1.00 H new ATOM 112 N ILE A 323 104.248 -0.423 9.424 1.00 0.37 N ATOM 113 CA ILE A 323 103.811 0.247 10.687 1.00 0.41 C ATOM 114 C ILE A 323 102.771 1.335 10.395 1.00 0.43 C ATOM 115 O ILE A 323 102.907 2.085 9.451 1.00 0.53 O ATOM 116 CB ILE A 323 105.071 0.872 11.272 1.00 0.44 C ATOM 117 CG1 ILE A 323 106.228 -0.128 11.190 1.00 0.46 C ATOM 118 CG2 ILE A 323 104.810 1.233 12.734 1.00 0.48 C ATOM 119 CD1 ILE A 323 107.062 0.159 9.939 1.00 0.52 C ATOM 0 H ILE A 323 104.462 0.205 8.650 1.00 0.37 H new ATOM 0 HA ILE A 323 103.346 -0.461 11.373 1.00 0.41 H new ATOM 0 HB ILE A 323 105.334 1.768 10.710 1.00 0.44 H new ATOM 0 HG12 ILE A 323 106.851 -0.053 12.081 1.00 0.46 H new ATOM 0 HG13 ILE A 323 105.841 -1.146 11.156 1.00 0.46 H new ATOM 0 HG21 ILE A 323 105.706 1.682 13.164 1.00 0.48 H new ATOM 0 HG22 ILE A 323 103.985 1.943 12.792 1.00 0.48 H new ATOM 0 HG23 ILE A 323 104.553 0.332 13.291 1.00 0.48 H new ATOM 0 HD11 ILE A 323 107.886 -0.552 9.880 1.00 0.52 H new ATOM 0 HD12 ILE A 323 106.434 0.062 9.053 1.00 0.52 H new ATOM 0 HD13 ILE A 323 107.461 1.172 9.992 1.00 0.52 H new ATOM 131 N PRO A 324 101.718 1.321 11.167 1.00 0.36 N ATOM 132 CA PRO A 324 100.582 2.245 10.929 1.00 0.40 C ATOM 133 C PRO A 324 101.013 3.708 11.015 1.00 0.64 C ATOM 134 O PRO A 324 101.891 4.068 11.774 1.00 1.44 O ATOM 135 CB PRO A 324 99.593 1.935 12.045 1.00 0.33 C ATOM 136 CG PRO A 324 100.043 0.654 12.667 1.00 0.30 C ATOM 137 CD PRO A 324 101.494 0.452 12.325 1.00 0.29 C ATOM 0 HA PRO A 324 100.164 2.107 9.932 1.00 0.40 H new ATOM 0 HB2 PRO A 324 99.575 2.738 12.781 1.00 0.33 H new ATOM 0 HB3 PRO A 324 98.581 1.841 11.651 1.00 0.33 H new ATOM 0 HG2 PRO A 324 99.908 0.688 13.748 1.00 0.30 H new ATOM 0 HG3 PRO A 324 99.445 -0.179 12.297 1.00 0.30 H new ATOM 0 HD2 PRO A 324 102.141 0.726 13.159 1.00 0.29 H new ATOM 0 HD3 PRO A 324 101.705 -0.590 12.087 1.00 0.29 H new ATOM 145 N ALA A 325 100.253 4.569 10.397 1.00 0.75 N ATOM 146 CA ALA A 325 100.446 6.028 10.606 1.00 0.98 C ATOM 147 C ALA A 325 99.742 6.458 11.892 1.00 0.81 C ATOM 148 O ALA A 325 99.445 5.653 12.750 1.00 1.11 O ATOM 149 CB ALA A 325 99.790 6.689 9.393 1.00 1.58 C ATOM 0 H ALA A 325 99.502 4.321 9.752 1.00 0.75 H new ATOM 0 HA ALA A 325 101.496 6.304 10.701 1.00 0.98 H new ATOM 0 HB1 ALA A 325 99.889 7.772 9.471 1.00 1.58 H new ATOM 0 HB2 ALA A 325 100.279 6.344 8.482 1.00 1.58 H new ATOM 0 HB3 ALA A 325 98.733 6.423 9.361 1.00 1.58 H new ATOM 155 N GLN A 326 99.520 7.728 12.051 1.00 0.91 N ATOM 156 CA GLN A 326 98.888 8.224 13.306 1.00 1.48 C ATOM 157 C GLN A 326 97.462 7.674 13.441 1.00 1.32 C ATOM 158 O GLN A 326 96.542 8.152 12.808 1.00 1.83 O ATOM 159 CB GLN A 326 98.866 9.745 13.148 1.00 2.25 C ATOM 160 CG GLN A 326 98.521 10.397 14.487 1.00 3.14 C ATOM 161 CD GLN A 326 98.715 11.911 14.378 1.00 3.55 C ATOM 162 OE1 GLN A 326 99.113 12.412 13.345 1.00 4.00 O ATOM 163 NE2 GLN A 326 98.453 12.666 15.410 1.00 3.92 N ATOM 0 H GLN A 326 99.748 8.449 11.366 1.00 0.91 H new ATOM 0 HA GLN A 326 99.429 7.908 14.198 1.00 1.48 H new ATOM 0 HB2 GLN A 326 99.837 10.098 12.800 1.00 2.25 H new ATOM 0 HB3 GLN A 326 98.133 10.031 12.394 1.00 2.25 H new ATOM 0 HG2 GLN A 326 97.491 10.170 14.760 1.00 3.14 H new ATOM 0 HG3 GLN A 326 99.156 9.993 15.275 1.00 3.14 H new ATOM 0 HE21 GLN A 326 98.119 12.246 16.277 1.00 3.92 H new ATOM 0 HE22 GLN A 326 98.582 13.676 15.349 1.00 3.92 H new ATOM 172 N GLY A 327 97.257 6.738 14.331 1.00 1.28 N ATOM 173 CA GLY A 327 95.873 6.236 14.585 1.00 1.48 C ATOM 174 C GLY A 327 95.527 5.109 13.605 1.00 1.24 C ATOM 175 O GLY A 327 94.372 4.864 13.316 1.00 1.52 O ATOM 0 H GLY A 327 97.987 6.300 14.893 1.00 1.28 H new ATOM 0 HA2 GLY A 327 95.793 5.873 15.610 1.00 1.48 H new ATOM 0 HA3 GLY A 327 95.158 7.052 14.479 1.00 1.48 H new ATOM 179 N VAL A 328 96.513 4.474 13.033 1.00 0.93 N ATOM 180 CA VAL A 328 96.229 3.429 12.004 1.00 1.03 C ATOM 181 C VAL A 328 96.487 2.025 12.567 1.00 1.06 C ATOM 182 O VAL A 328 97.390 1.819 13.353 1.00 1.71 O ATOM 183 CB VAL A 328 97.198 3.729 10.862 1.00 1.43 C ATOM 184 CG1 VAL A 328 96.960 2.738 9.721 1.00 1.73 C ATOM 185 CG2 VAL A 328 96.963 5.154 10.356 1.00 1.57 C ATOM 0 H VAL A 328 97.501 4.632 13.232 1.00 0.93 H new ATOM 0 HA VAL A 328 95.188 3.449 11.681 1.00 1.03 H new ATOM 0 HB VAL A 328 98.223 3.634 11.219 1.00 1.43 H new ATOM 0 HG11 VAL A 328 97.651 2.950 8.905 1.00 1.73 H new ATOM 0 HG12 VAL A 328 97.125 1.722 10.081 1.00 1.73 H new ATOM 0 HG13 VAL A 328 95.935 2.834 9.363 1.00 1.73 H new ATOM 0 HG21 VAL A 328 97.654 5.369 9.541 1.00 1.57 H new ATOM 0 HG22 VAL A 328 95.938 5.248 9.997 1.00 1.57 H new ATOM 0 HG23 VAL A 328 97.129 5.861 11.169 1.00 1.57 H new ATOM 195 N ASP A 329 95.757 1.045 12.105 1.00 1.16 N ATOM 196 CA ASP A 329 96.028 -0.361 12.536 1.00 1.20 C ATOM 197 C ASP A 329 97.138 -0.977 11.670 1.00 1.16 C ATOM 198 O ASP A 329 97.256 -0.679 10.498 1.00 1.39 O ATOM 199 CB ASP A 329 94.709 -1.103 12.324 1.00 1.44 C ATOM 200 CG ASP A 329 93.654 -0.553 13.285 1.00 1.37 C ATOM 201 OD1 ASP A 329 94.029 0.162 14.201 1.00 2.02 O ATOM 202 OD2 ASP A 329 92.488 -0.854 13.092 1.00 1.69 O ATOM 0 H ASP A 329 94.985 1.155 11.448 1.00 1.16 H new ATOM 0 HA ASP A 329 96.365 -0.417 13.571 1.00 1.20 H new ATOM 0 HB2 ASP A 329 94.374 -0.985 11.293 1.00 1.44 H new ATOM 0 HB3 ASP A 329 94.849 -2.171 12.493 1.00 1.44 H new ATOM 207 N GLU A 330 97.999 -1.769 12.256 1.00 1.13 N ATOM 208 CA GLU A 330 99.154 -2.324 11.483 1.00 1.11 C ATOM 209 C GLU A 330 98.658 -3.265 10.384 1.00 0.97 C ATOM 210 O GLU A 330 99.120 -3.221 9.261 1.00 0.91 O ATOM 211 CB GLU A 330 99.979 -3.096 12.514 1.00 1.28 C ATOM 212 CG GLU A 330 99.252 -4.388 12.890 1.00 1.68 C ATOM 213 CD GLU A 330 100.012 -5.093 14.015 1.00 2.07 C ATOM 214 OE1 GLU A 330 101.077 -4.619 14.372 1.00 2.49 O ATOM 215 OE2 GLU A 330 99.514 -6.096 14.501 1.00 2.70 O ATOM 0 H GLU A 330 97.954 -2.056 13.234 1.00 1.13 H new ATOM 0 HA GLU A 330 99.734 -1.543 10.991 1.00 1.11 H new ATOM 0 HB2 GLU A 330 100.964 -3.326 12.108 1.00 1.28 H new ATOM 0 HB3 GLU A 330 100.136 -2.483 13.402 1.00 1.28 H new ATOM 0 HG2 GLU A 330 98.234 -4.165 13.209 1.00 1.68 H new ATOM 0 HG3 GLU A 330 99.178 -5.042 12.021 1.00 1.68 H new ATOM 222 N LYS A 331 97.674 -4.070 10.675 1.00 0.98 N ATOM 223 CA LYS A 331 97.105 -4.952 9.621 1.00 0.92 C ATOM 224 C LYS A 331 96.564 -4.102 8.471 1.00 0.81 C ATOM 225 O LYS A 331 96.744 -4.417 7.313 1.00 0.80 O ATOM 226 CB LYS A 331 95.973 -5.715 10.306 1.00 1.02 C ATOM 227 CG LYS A 331 95.437 -6.784 9.356 1.00 1.49 C ATOM 228 CD LYS A 331 94.275 -7.525 10.020 1.00 2.27 C ATOM 229 CE LYS A 331 93.842 -8.696 9.136 1.00 2.60 C ATOM 230 NZ LYS A 331 94.502 -9.891 9.731 1.00 3.03 N ATOM 0 H LYS A 331 97.241 -4.154 11.595 1.00 0.98 H new ATOM 0 HA LYS A 331 97.848 -5.629 9.199 1.00 0.92 H new ATOM 0 HB2 LYS A 331 96.334 -6.177 11.225 1.00 1.02 H new ATOM 0 HB3 LYS A 331 95.174 -5.029 10.587 1.00 1.02 H new ATOM 0 HG2 LYS A 331 95.104 -6.324 8.426 1.00 1.49 H new ATOM 0 HG3 LYS A 331 96.230 -7.486 9.098 1.00 1.49 H new ATOM 0 HD2 LYS A 331 94.576 -7.889 11.002 1.00 2.27 H new ATOM 0 HD3 LYS A 331 93.438 -6.845 10.176 1.00 2.27 H new ATOM 0 HE2 LYS A 331 92.758 -8.806 9.130 1.00 2.60 H new ATOM 0 HE3 LYS A 331 94.153 -8.547 8.102 1.00 2.60 H new ATOM 0 HZ1 LYS A 331 94.253 -10.736 9.179 1.00 3.03 H new ATOM 0 HZ2 LYS A 331 95.534 -9.761 9.718 1.00 3.03 H new ATOM 0 HZ3 LYS A 331 94.181 -10.012 10.713 1.00 3.03 H new ATOM 244 N THR A 332 95.929 -3.009 8.783 1.00 0.78 N ATOM 245 CA THR A 332 95.406 -2.123 7.706 1.00 0.74 C ATOM 246 C THR A 332 96.546 -1.648 6.803 1.00 0.65 C ATOM 247 O THR A 332 96.434 -1.664 5.594 1.00 0.66 O ATOM 248 CB THR A 332 94.777 -0.938 8.440 1.00 0.77 C ATOM 249 OG1 THR A 332 93.771 -1.411 9.324 1.00 0.90 O ATOM 250 CG2 THR A 332 94.161 0.024 7.425 1.00 0.82 C ATOM 0 H THR A 332 95.749 -2.690 9.735 1.00 0.78 H new ATOM 0 HA THR A 332 94.689 -2.636 7.065 1.00 0.74 H new ATOM 0 HB THR A 332 95.543 -0.414 9.011 1.00 0.77 H new ATOM 0 HG1 THR A 332 93.231 -0.656 9.639 1.00 0.90 H new ATOM 0 HG21 THR A 332 93.713 0.868 7.949 1.00 0.82 H new ATOM 0 HG22 THR A 332 94.936 0.386 6.750 1.00 0.82 H new ATOM 0 HG23 THR A 332 93.394 -0.495 6.851 1.00 0.82 H new ATOM 258 N LEU A 333 97.635 -1.203 7.370 1.00 0.59 N ATOM 259 CA LEU A 333 98.750 -0.705 6.514 1.00 0.57 C ATOM 260 C LEU A 333 99.283 -1.816 5.611 1.00 0.58 C ATOM 261 O LEU A 333 99.519 -1.614 4.437 1.00 0.54 O ATOM 262 CB LEU A 333 99.848 -0.254 7.469 1.00 0.68 C ATOM 263 CG LEU A 333 101.096 0.062 6.644 1.00 0.64 C ATOM 264 CD1 LEU A 333 100.832 1.289 5.770 1.00 0.93 C ATOM 265 CD2 LEU A 333 102.272 0.348 7.573 1.00 0.87 C ATOM 0 H LEU A 333 97.800 -1.163 8.376 1.00 0.59 H new ATOM 0 HA LEU A 333 98.409 0.105 5.869 1.00 0.57 H new ATOM 0 HB2 LEU A 333 99.529 0.626 8.028 1.00 0.68 H new ATOM 0 HB3 LEU A 333 100.062 -1.035 8.199 1.00 0.68 H new ATOM 0 HG LEU A 333 101.334 -0.794 6.013 1.00 0.64 H new ATOM 0 HD11 LEU A 333 101.721 1.515 5.182 1.00 0.93 H new ATOM 0 HD12 LEU A 333 99.996 1.086 5.101 1.00 0.93 H new ATOM 0 HD13 LEU A 333 100.590 2.142 6.404 1.00 0.93 H new ATOM 0 HD21 LEU A 333 103.158 0.572 6.980 1.00 0.87 H new ATOM 0 HD22 LEU A 333 102.035 1.202 8.208 1.00 0.87 H new ATOM 0 HD23 LEU A 333 102.464 -0.525 8.196 1.00 0.87 H new ATOM 277 N ALA A 334 99.489 -2.982 6.148 1.00 0.66 N ATOM 278 CA ALA A 334 100.027 -4.091 5.318 1.00 0.73 C ATOM 279 C ALA A 334 99.075 -4.373 4.159 1.00 0.68 C ATOM 280 O ALA A 334 99.479 -4.706 3.070 1.00 0.66 O ATOM 281 CB ALA A 334 100.105 -5.291 6.265 1.00 0.87 C ATOM 0 H ALA A 334 99.309 -3.216 7.124 1.00 0.66 H new ATOM 0 HA ALA A 334 100.999 -3.860 4.883 1.00 0.73 H new ATOM 0 HB1 ALA A 334 100.495 -6.155 5.726 1.00 0.87 H new ATOM 0 HB2 ALA A 334 100.767 -5.054 7.098 1.00 0.87 H new ATOM 0 HB3 ALA A 334 99.109 -5.519 6.646 1.00 0.87 H new ATOM 287 N ASP A 335 97.808 -4.315 4.402 1.00 0.67 N ATOM 288 CA ASP A 335 96.843 -4.673 3.329 1.00 0.65 C ATOM 289 C ASP A 335 96.831 -3.625 2.208 1.00 0.62 C ATOM 290 O ASP A 335 96.824 -3.957 1.040 1.00 0.69 O ATOM 291 CB ASP A 335 95.493 -4.705 4.023 1.00 0.67 C ATOM 292 CG ASP A 335 95.469 -5.838 5.051 1.00 1.19 C ATOM 293 OD1 ASP A 335 96.353 -6.676 5.000 1.00 1.61 O ATOM 294 OD2 ASP A 335 94.566 -5.848 5.871 1.00 1.96 O ATOM 0 H ASP A 335 97.393 -4.037 5.291 1.00 0.67 H new ATOM 0 HA ASP A 335 97.103 -5.621 2.858 1.00 0.65 H new ATOM 0 HB2 ASP A 335 95.303 -3.751 4.515 1.00 0.67 H new ATOM 0 HB3 ASP A 335 94.700 -4.849 3.290 1.00 0.67 H new ATOM 299 N ALA A 336 96.793 -2.365 2.545 1.00 0.60 N ATOM 300 CA ALA A 336 96.736 -1.317 1.483 1.00 0.62 C ATOM 301 C ALA A 336 98.028 -1.316 0.673 1.00 0.51 C ATOM 302 O ALA A 336 98.010 -1.208 -0.536 1.00 0.55 O ATOM 303 CB ALA A 336 96.560 0.008 2.226 1.00 0.76 C ATOM 0 H ALA A 336 96.799 -2.016 3.503 1.00 0.60 H new ATOM 0 HA ALA A 336 95.922 -1.492 0.779 1.00 0.62 H new ATOM 0 HB1 ALA A 336 96.510 0.825 1.506 1.00 0.76 H new ATOM 0 HB2 ALA A 336 95.638 -0.020 2.807 1.00 0.76 H new ATOM 0 HB3 ALA A 336 97.406 0.165 2.895 1.00 0.76 H new ATOM 309 N ALA A 337 99.143 -1.519 1.310 1.00 0.46 N ATOM 310 CA ALA A 337 100.416 -1.617 0.539 1.00 0.50 C ATOM 311 C ALA A 337 100.348 -2.815 -0.407 1.00 0.62 C ATOM 312 O ALA A 337 101.009 -2.856 -1.426 1.00 0.72 O ATOM 313 CB ALA A 337 101.511 -1.821 1.586 1.00 0.50 C ATOM 0 H ALA A 337 99.232 -1.621 2.321 1.00 0.46 H new ATOM 0 HA ALA A 337 100.605 -0.731 -0.067 1.00 0.50 H new ATOM 0 HB1 ALA A 337 102.478 -1.902 1.090 1.00 0.50 H new ATOM 0 HB2 ALA A 337 101.524 -0.972 2.270 1.00 0.50 H new ATOM 0 HB3 ALA A 337 101.313 -2.735 2.146 1.00 0.50 H new ATOM 319 N GLN A 338 99.626 -3.833 -0.024 1.00 0.71 N ATOM 320 CA GLN A 338 99.593 -5.079 -0.833 1.00 0.91 C ATOM 321 C GLN A 338 98.815 -4.848 -2.130 1.00 0.94 C ATOM 322 O GLN A 338 99.283 -5.150 -3.208 1.00 1.06 O ATOM 323 CB GLN A 338 98.861 -6.086 0.052 1.00 1.03 C ATOM 324 CG GLN A 338 99.793 -6.733 1.098 1.00 1.03 C ATOM 325 CD GLN A 338 101.109 -5.953 1.315 1.00 0.94 C ATOM 326 OE1 GLN A 338 101.129 -4.759 1.494 1.00 1.72 O ATOM 327 NE2 GLN A 338 102.221 -6.607 1.340 1.00 0.69 N ATOM 0 H GLN A 338 99.055 -3.852 0.821 1.00 0.71 H new ATOM 0 HA GLN A 338 100.589 -5.419 -1.118 1.00 0.91 H new ATOM 0 HB2 GLN A 338 98.037 -5.587 0.562 1.00 1.03 H new ATOM 0 HB3 GLN A 338 98.424 -6.865 -0.573 1.00 1.03 H new ATOM 0 HG2 GLN A 338 99.264 -6.809 2.048 1.00 1.03 H new ATOM 0 HG3 GLN A 338 100.030 -7.749 0.783 1.00 1.03 H new ATOM 0 HE21 GLN A 338 102.223 -7.616 1.191 1.00 0.69 H new ATOM 0 HE22 GLN A 338 103.098 -6.115 1.509 1.00 0.69 H new ATOM 336 N LEU A 339 97.613 -4.357 -2.035 1.00 0.86 N ATOM 337 CA LEU A 339 96.806 -4.160 -3.280 1.00 0.90 C ATOM 338 C LEU A 339 97.421 -3.054 -4.145 1.00 0.84 C ATOM 339 O LEU A 339 97.440 -3.144 -5.357 1.00 1.00 O ATOM 340 CB LEU A 339 95.379 -3.790 -2.842 1.00 0.80 C ATOM 341 CG LEU A 339 95.387 -2.846 -1.639 1.00 1.01 C ATOM 342 CD1 LEU A 339 94.555 -1.608 -1.963 1.00 1.34 C ATOM 343 CD2 LEU A 339 94.767 -3.573 -0.443 1.00 1.58 C ATOM 0 H LEU A 339 97.155 -4.085 -1.165 1.00 0.86 H new ATOM 0 HA LEU A 339 96.792 -5.068 -3.884 1.00 0.90 H new ATOM 0 HB2 LEU A 339 94.854 -3.318 -3.672 1.00 0.80 H new ATOM 0 HB3 LEU A 339 94.828 -4.696 -2.590 1.00 0.80 H new ATOM 0 HG LEU A 339 96.409 -2.545 -1.406 1.00 1.01 H new ATOM 0 HD11 LEU A 339 94.559 -0.933 -1.107 1.00 1.34 H new ATOM 0 HD12 LEU A 339 94.981 -1.100 -2.828 1.00 1.34 H new ATOM 0 HD13 LEU A 339 93.530 -1.906 -2.185 1.00 1.34 H new ATOM 0 HD21 LEU A 339 94.766 -2.912 0.424 1.00 1.58 H new ATOM 0 HD22 LEU A 339 93.743 -3.860 -0.682 1.00 1.58 H new ATOM 0 HD23 LEU A 339 95.350 -4.466 -0.218 1.00 1.58 H new ATOM 355 N ALA A 340 97.956 -2.030 -3.539 1.00 0.74 N ATOM 356 CA ALA A 340 98.604 -0.947 -4.334 1.00 0.93 C ATOM 357 C ALA A 340 99.879 -1.467 -5.005 1.00 1.36 C ATOM 358 O ALA A 340 100.421 -0.842 -5.895 1.00 2.24 O ATOM 359 CB ALA A 340 98.944 0.141 -3.316 1.00 0.82 C ATOM 0 H ALA A 340 97.973 -1.896 -2.528 1.00 0.74 H new ATOM 0 HA ALA A 340 97.956 -0.578 -5.129 1.00 0.93 H new ATOM 0 HB1 ALA A 340 99.426 0.977 -3.824 1.00 0.82 H new ATOM 0 HB2 ALA A 340 98.029 0.488 -2.835 1.00 0.82 H new ATOM 0 HB3 ALA A 340 99.620 -0.264 -2.563 1.00 0.82 H new ATOM 365 N SER A 341 100.338 -2.624 -4.614 1.00 1.07 N ATOM 366 CA SER A 341 101.551 -3.200 -5.268 1.00 1.44 C ATOM 367 C SER A 341 101.139 -4.190 -6.360 1.00 1.51 C ATOM 368 O SER A 341 101.916 -4.528 -7.232 1.00 2.65 O ATOM 369 CB SER A 341 102.322 -3.904 -4.150 1.00 2.84 C ATOM 370 OG SER A 341 101.548 -4.983 -3.653 1.00 3.56 O ATOM 0 H SER A 341 99.929 -3.194 -3.874 1.00 1.07 H new ATOM 0 HA SER A 341 102.162 -2.437 -5.750 1.00 1.44 H new ATOM 0 HB2 SER A 341 103.277 -4.270 -4.526 1.00 2.84 H new ATOM 0 HB3 SER A 341 102.544 -3.201 -3.347 1.00 2.84 H new ATOM 0 HG SER A 341 100.612 -4.864 -3.918 1.00 3.56 H new ATOM 376 N LEU A 342 99.909 -4.624 -6.349 1.00 1.19 N ATOM 377 CA LEU A 342 99.438 -5.551 -7.418 1.00 2.40 C ATOM 378 C LEU A 342 99.590 -4.892 -8.792 1.00 2.59 C ATOM 379 O LEU A 342 99.656 -5.555 -9.806 1.00 3.62 O ATOM 380 CB LEU A 342 97.957 -5.788 -7.122 1.00 3.39 C ATOM 381 CG LEU A 342 97.798 -6.438 -5.749 1.00 3.93 C ATOM 382 CD1 LEU A 342 96.330 -6.815 -5.540 1.00 4.36 C ATOM 383 CD2 LEU A 342 98.663 -7.699 -5.680 1.00 3.74 C ATOM 0 H LEU A 342 99.210 -4.378 -5.648 1.00 1.19 H new ATOM 0 HA LEU A 342 100.011 -6.478 -7.432 1.00 2.40 H new ATOM 0 HB2 LEU A 342 97.416 -4.842 -7.151 1.00 3.39 H new ATOM 0 HB3 LEU A 342 97.522 -6.428 -7.889 1.00 3.39 H new ATOM 0 HG LEU A 342 98.112 -5.740 -4.973 1.00 3.93 H new ATOM 0 HD11 LEU A 342 96.209 -7.280 -4.561 1.00 4.36 H new ATOM 0 HD12 LEU A 342 95.713 -5.918 -5.594 1.00 4.36 H new ATOM 0 HD13 LEU A 342 96.020 -7.516 -6.315 1.00 4.36 H new ATOM 0 HD21 LEU A 342 98.551 -8.164 -4.701 1.00 3.74 H new ATOM 0 HD22 LEU A 342 98.347 -8.400 -6.453 1.00 3.74 H new ATOM 0 HD23 LEU A 342 99.708 -7.432 -5.837 1.00 3.74 H new ATOM 395 N ALA A 343 99.544 -3.588 -8.835 1.00 2.04 N ATOM 396 CA ALA A 343 99.574 -2.881 -10.147 1.00 2.90 C ATOM 397 C ALA A 343 101.013 -2.574 -10.572 1.00 2.34 C ATOM 398 O ALA A 343 101.262 -2.173 -11.692 1.00 2.96 O ATOM 399 CB ALA A 343 98.789 -1.589 -9.916 1.00 3.81 C ATOM 0 H ALA A 343 99.487 -2.981 -8.017 1.00 2.04 H new ATOM 0 HA ALA A 343 99.144 -3.486 -10.945 1.00 2.90 H new ATOM 0 HB1 ALA A 343 98.764 -1.009 -10.838 1.00 3.81 H new ATOM 0 HB2 ALA A 343 97.771 -1.831 -9.612 1.00 3.81 H new ATOM 0 HB3 ALA A 343 99.272 -1.005 -9.133 1.00 3.81 H new ATOM 405 N ASP A 344 101.968 -2.788 -9.709 1.00 1.46 N ATOM 406 CA ASP A 344 103.384 -2.539 -10.105 1.00 1.77 C ATOM 407 C ASP A 344 104.010 -3.825 -10.653 1.00 1.92 C ATOM 408 O ASP A 344 103.803 -4.902 -10.129 1.00 1.99 O ATOM 409 CB ASP A 344 104.089 -2.084 -8.822 1.00 1.69 C ATOM 410 CG ASP A 344 104.377 -3.290 -7.924 1.00 2.00 C ATOM 411 OD1 ASP A 344 105.114 -4.161 -8.352 1.00 1.89 O ATOM 412 OD2 ASP A 344 103.863 -3.315 -6.817 1.00 2.84 O ATOM 0 H ASP A 344 101.832 -3.122 -8.755 1.00 1.46 H new ATOM 0 HA ASP A 344 103.469 -1.789 -10.892 1.00 1.77 H new ATOM 0 HB2 ASP A 344 105.020 -1.575 -9.070 1.00 1.69 H new ATOM 0 HB3 ASP A 344 103.465 -1.366 -8.290 1.00 1.69 H new ATOM 460 N GLU A 348 110.139 -5.860 -6.614 1.00 1.76 N ATOM 461 CA GLU A 348 109.980 -5.396 -5.206 1.00 1.64 C ATOM 462 C GLU A 348 108.495 -5.300 -4.844 1.00 1.41 C ATOM 463 O GLU A 348 108.094 -5.613 -3.743 1.00 1.31 O ATOM 464 CB GLU A 348 110.631 -4.013 -5.170 1.00 1.72 C ATOM 465 CG GLU A 348 112.129 -4.146 -5.449 1.00 2.14 C ATOM 466 CD GLU A 348 112.793 -2.772 -5.345 1.00 2.49 C ATOM 467 OE1 GLU A 348 112.071 -1.794 -5.237 1.00 2.49 O ATOM 468 OE2 GLU A 348 114.011 -2.721 -5.374 1.00 3.25 O ATOM 0 HA GLU A 348 110.436 -6.081 -4.491 1.00 1.64 H new ATOM 0 HB2 GLU A 348 110.169 -3.362 -5.912 1.00 1.72 H new ATOM 0 HB3 GLU A 348 110.471 -3.550 -4.196 1.00 1.72 H new ATOM 0 HG2 GLU A 348 112.582 -4.835 -4.737 1.00 2.14 H new ATOM 0 HG3 GLU A 348 112.289 -4.564 -6.443 1.00 2.14 H new ATOM 475 N GLY A 349 107.674 -4.884 -5.768 1.00 1.42 N ATOM 476 CA GLY A 349 106.215 -4.785 -5.479 1.00 1.30 C ATOM 477 C GLY A 349 105.664 -6.166 -5.124 1.00 1.23 C ATOM 478 O GLY A 349 104.800 -6.302 -4.280 1.00 1.23 O ATOM 0 H GLY A 349 107.950 -4.608 -6.711 1.00 1.42 H new ATOM 0 HA2 GLY A 349 106.044 -4.092 -4.655 1.00 1.30 H new ATOM 0 HA3 GLY A 349 105.689 -4.385 -6.346 1.00 1.30 H new ATOM 482 N ARG A 350 106.258 -7.202 -5.649 1.00 1.19 N ATOM 483 CA ARG A 350 105.868 -8.575 -5.216 1.00 1.15 C ATOM 484 C ARG A 350 106.493 -8.874 -3.860 1.00 1.06 C ATOM 485 O ARG A 350 105.891 -9.495 -3.009 1.00 0.94 O ATOM 486 CB ARG A 350 106.428 -9.515 -6.282 1.00 1.18 C ATOM 487 CG ARG A 350 106.089 -8.972 -7.668 1.00 1.81 C ATOM 488 CD ARG A 350 104.574 -9.003 -7.875 1.00 2.33 C ATOM 489 NE ARG A 350 104.372 -8.582 -9.290 1.00 2.77 N ATOM 490 CZ ARG A 350 103.244 -8.841 -9.898 1.00 3.16 C ATOM 491 NH1 ARG A 350 102.286 -9.469 -9.270 1.00 3.46 N ATOM 492 NH2 ARG A 350 103.075 -8.471 -11.138 1.00 3.62 N ATOM 0 H ARG A 350 106.993 -7.159 -6.355 1.00 1.19 H new ATOM 0 HA ARG A 350 104.789 -8.688 -5.115 1.00 1.15 H new ATOM 0 HB2 ARG A 350 107.508 -9.607 -6.170 1.00 1.18 H new ATOM 0 HB3 ARG A 350 106.009 -10.513 -6.158 1.00 1.18 H new ATOM 0 HG2 ARG A 350 106.459 -7.952 -7.771 1.00 1.81 H new ATOM 0 HG3 ARG A 350 106.583 -9.569 -8.434 1.00 1.81 H new ATOM 0 HD2 ARG A 350 104.171 -10.000 -7.698 1.00 2.33 H new ATOM 0 HD3 ARG A 350 104.067 -8.328 -7.186 1.00 2.33 H new ATOM 0 HE ARG A 350 105.116 -8.090 -9.786 1.00 2.77 H new ATOM 0 HH11 ARG A 350 102.416 -9.760 -8.301 1.00 3.46 H new ATOM 0 HH12 ARG A 350 101.408 -9.669 -9.749 1.00 3.46 H new ATOM 0 HH21 ARG A 350 103.822 -7.981 -11.630 1.00 3.62 H new ATOM 0 HH22 ARG A 350 102.196 -8.672 -11.615 1.00 3.62 H new ATOM 506 N SER A 351 107.670 -8.378 -3.628 1.00 1.15 N ATOM 507 CA SER A 351 108.297 -8.581 -2.294 1.00 1.10 C ATOM 508 C SER A 351 107.342 -8.091 -1.201 1.00 0.97 C ATOM 509 O SER A 351 107.039 -8.800 -0.265 1.00 0.87 O ATOM 510 CB SER A 351 109.567 -7.737 -2.320 1.00 1.25 C ATOM 511 OG SER A 351 110.392 -8.099 -1.223 1.00 2.40 O ATOM 0 H SER A 351 108.224 -7.844 -4.297 1.00 1.15 H new ATOM 0 HA SER A 351 108.517 -9.628 -2.086 1.00 1.10 H new ATOM 0 HB2 SER A 351 110.101 -7.891 -3.258 1.00 1.25 H new ATOM 0 HB3 SER A 351 109.315 -6.678 -2.267 1.00 1.25 H new ATOM 0 HG SER A 351 110.256 -9.046 -1.010 1.00 2.40 H new ATOM 517 N ILE A 352 106.794 -6.919 -1.362 1.00 1.00 N ATOM 518 CA ILE A 352 105.781 -6.428 -0.389 1.00 0.93 C ATOM 519 C ILE A 352 104.569 -7.372 -0.335 1.00 0.80 C ATOM 520 O ILE A 352 104.186 -7.830 0.723 1.00 0.70 O ATOM 521 CB ILE A 352 105.398 -5.049 -0.919 1.00 1.08 C ATOM 522 CG1 ILE A 352 106.469 -4.047 -0.495 1.00 1.16 C ATOM 523 CG2 ILE A 352 104.041 -4.614 -0.364 1.00 1.16 C ATOM 524 CD1 ILE A 352 106.214 -2.707 -1.175 1.00 1.39 C ATOM 0 H ILE A 352 107.005 -6.279 -2.128 1.00 1.00 H new ATOM 0 HA ILE A 352 106.160 -6.385 0.632 1.00 0.93 H new ATOM 0 HB ILE A 352 105.326 -5.090 -2.006 1.00 1.08 H new ATOM 0 HG12 ILE A 352 106.458 -3.924 0.588 1.00 1.16 H new ATOM 0 HG13 ILE A 352 107.457 -4.420 -0.764 1.00 1.16 H new ATOM 0 HG21 ILE A 352 103.787 -3.628 -0.754 1.00 1.16 H new ATOM 0 HG22 ILE A 352 103.278 -5.331 -0.666 1.00 1.16 H new ATOM 0 HG23 ILE A 352 104.090 -4.572 0.724 1.00 1.16 H new ATOM 0 HD11 ILE A 352 106.980 -1.993 -0.871 1.00 1.39 H new ATOM 0 HD12 ILE A 352 106.247 -2.836 -2.257 1.00 1.39 H new ATOM 0 HD13 ILE A 352 105.233 -2.332 -0.884 1.00 1.39 H new ATOM 536 N VAL A 353 103.934 -7.634 -1.450 1.00 0.86 N ATOM 537 CA VAL A 353 102.711 -8.499 -1.418 1.00 0.82 C ATOM 538 C VAL A 353 102.994 -9.805 -0.664 1.00 0.77 C ATOM 539 O VAL A 353 102.182 -10.269 0.112 1.00 0.77 O ATOM 540 CB VAL A 353 102.388 -8.795 -2.885 1.00 0.97 C ATOM 541 CG1 VAL A 353 101.289 -9.858 -2.961 1.00 1.18 C ATOM 542 CG2 VAL A 353 101.899 -7.519 -3.573 1.00 1.10 C ATOM 0 H VAL A 353 104.204 -7.292 -2.372 1.00 0.86 H new ATOM 0 HA VAL A 353 101.883 -8.009 -0.906 1.00 0.82 H new ATOM 0 HB VAL A 353 103.287 -9.157 -3.384 1.00 0.97 H new ATOM 0 HG11 VAL A 353 101.059 -10.069 -4.005 1.00 1.18 H new ATOM 0 HG12 VAL A 353 101.631 -10.771 -2.473 1.00 1.18 H new ATOM 0 HG13 VAL A 353 100.394 -9.492 -2.459 1.00 1.18 H new ATOM 0 HG21 VAL A 353 101.670 -7.733 -4.617 1.00 1.10 H new ATOM 0 HG22 VAL A 353 101.002 -7.156 -3.072 1.00 1.10 H new ATOM 0 HG23 VAL A 353 102.677 -6.757 -3.521 1.00 1.10 H new ATOM 552 N ILE A 354 104.209 -10.267 -0.708 1.00 0.79 N ATOM 553 CA ILE A 354 104.609 -11.385 0.195 1.00 0.84 C ATOM 554 C ILE A 354 104.598 -10.922 1.651 1.00 0.72 C ATOM 555 O ILE A 354 104.145 -11.620 2.529 1.00 0.77 O ATOM 556 CB ILE A 354 106.024 -11.745 -0.235 1.00 0.97 C ATOM 557 CG1 ILE A 354 106.011 -12.201 -1.697 1.00 1.21 C ATOM 558 CG2 ILE A 354 106.559 -12.869 0.654 1.00 1.11 C ATOM 559 CD1 ILE A 354 107.403 -12.018 -2.304 1.00 1.36 C ATOM 0 H ILE A 354 104.943 -9.922 -1.327 1.00 0.79 H new ATOM 0 HA ILE A 354 103.928 -12.234 0.127 1.00 0.84 H new ATOM 0 HB ILE A 354 106.669 -10.872 -0.135 1.00 0.97 H new ATOM 0 HG12 ILE A 354 105.711 -13.247 -1.760 1.00 1.21 H new ATOM 0 HG13 ILE A 354 105.278 -11.625 -2.262 1.00 1.21 H new ATOM 0 HG21 ILE A 354 107.572 -13.126 0.345 1.00 1.11 H new ATOM 0 HG22 ILE A 354 106.569 -12.538 1.692 1.00 1.11 H new ATOM 0 HG23 ILE A 354 105.917 -13.745 0.559 1.00 1.11 H new ATOM 0 HD11 ILE A 354 107.392 -12.343 -3.344 1.00 1.36 H new ATOM 0 HD12 ILE A 354 107.686 -10.966 -2.255 1.00 1.36 H new ATOM 0 HD13 ILE A 354 108.125 -12.614 -1.745 1.00 1.36 H new ATOM 571 N LEU A 355 105.181 -9.795 1.921 1.00 0.63 N ATOM 572 CA LEU A 355 105.302 -9.337 3.337 1.00 0.62 C ATOM 573 C LEU A 355 103.964 -9.476 4.067 1.00 0.55 C ATOM 574 O LEU A 355 103.886 -10.008 5.157 1.00 0.61 O ATOM 575 CB LEU A 355 105.655 -7.858 3.224 1.00 0.64 C ATOM 576 CG LEU A 355 106.258 -7.351 4.539 1.00 0.73 C ATOM 577 CD1 LEU A 355 106.461 -5.837 4.455 1.00 1.14 C ATOM 578 CD2 LEU A 355 105.314 -7.663 5.704 1.00 1.15 C ATOM 0 H LEU A 355 105.582 -9.166 1.225 1.00 0.63 H new ATOM 0 HA LEU A 355 106.038 -9.919 3.892 1.00 0.62 H new ATOM 0 HB2 LEU A 355 106.364 -7.708 2.410 1.00 0.64 H new ATOM 0 HB3 LEU A 355 104.762 -7.282 2.980 1.00 0.64 H new ATOM 0 HG LEU A 355 107.214 -7.847 4.705 1.00 0.73 H new ATOM 0 HD11 LEU A 355 106.890 -5.475 5.389 1.00 1.14 H new ATOM 0 HD12 LEU A 355 107.137 -5.606 3.632 1.00 1.14 H new ATOM 0 HD13 LEU A 355 105.501 -5.350 4.284 1.00 1.14 H new ATOM 0 HD21 LEU A 355 105.751 -7.299 6.634 1.00 1.15 H new ATOM 0 HD22 LEU A 355 104.355 -7.172 5.537 1.00 1.15 H new ATOM 0 HD23 LEU A 355 105.163 -8.740 5.771 1.00 1.15 H new ATOM 590 N ALA A 356 102.920 -8.942 3.507 1.00 0.52 N ATOM 591 CA ALA A 356 101.607 -8.982 4.211 1.00 0.54 C ATOM 592 C ALA A 356 101.089 -10.419 4.270 1.00 0.53 C ATOM 593 O ALA A 356 100.492 -10.841 5.243 1.00 0.57 O ATOM 594 CB ALA A 356 100.674 -8.101 3.376 1.00 0.61 C ATOM 0 H ALA A 356 102.915 -8.481 2.597 1.00 0.52 H new ATOM 0 HA ALA A 356 101.678 -8.627 5.239 1.00 0.54 H new ATOM 0 HB1 ALA A 356 99.685 -8.082 3.834 1.00 0.61 H new ATOM 0 HB2 ALA A 356 101.073 -7.088 3.332 1.00 0.61 H new ATOM 0 HB3 ALA A 356 100.599 -8.505 2.367 1.00 0.61 H new ATOM 755 N ARG A 365 94.224 -8.923 -4.361 1.00 1.36 N ATOM 756 CA ARG A 365 92.823 -8.527 -4.679 1.00 1.73 C ATOM 757 C ARG A 365 92.644 -8.411 -6.192 1.00 1.59 C ATOM 758 O ARG A 365 93.389 -7.729 -6.867 1.00 1.56 O ATOM 759 CB ARG A 365 92.630 -7.167 -4.008 1.00 1.83 C ATOM 760 CG ARG A 365 92.728 -7.327 -2.490 1.00 2.15 C ATOM 761 CD ARG A 365 92.453 -5.981 -1.815 1.00 2.41 C ATOM 762 NE ARG A 365 91.009 -5.712 -2.067 1.00 3.18 N ATOM 763 CZ ARG A 365 90.376 -4.810 -1.363 1.00 3.60 C ATOM 764 NH1 ARG A 365 91.003 -4.138 -0.435 1.00 4.16 N ATOM 765 NH2 ARG A 365 89.112 -4.579 -1.590 1.00 3.72 N ATOM 0 HA ARG A 365 92.095 -9.258 -4.326 1.00 1.73 H new ATOM 0 HB2 ARG A 365 93.387 -6.466 -4.360 1.00 1.83 H new ATOM 0 HB3 ARG A 365 91.659 -6.751 -4.278 1.00 1.83 H new ATOM 0 HG2 ARG A 365 92.011 -8.072 -2.145 1.00 2.15 H new ATOM 0 HG3 ARG A 365 93.719 -7.688 -2.215 1.00 2.15 H new ATOM 0 HD2 ARG A 365 92.666 -6.024 -0.747 1.00 2.41 H new ATOM 0 HD3 ARG A 365 93.080 -5.194 -2.234 1.00 2.41 H new ATOM 0 HE ARG A 365 90.513 -6.233 -2.790 1.00 3.18 H new ATOM 0 HH11 ARG A 365 91.991 -4.316 -0.256 1.00 4.16 H new ATOM 0 HH12 ARG A 365 90.504 -3.436 0.111 1.00 4.16 H new ATOM 0 HH21 ARG A 365 88.620 -5.101 -2.315 1.00 3.72 H new ATOM 0 HH22 ARG A 365 88.616 -3.876 -1.042 1.00 3.72 H new ATOM 779 N ASP A 366 91.648 -9.061 -6.729 1.00 1.70 N ATOM 780 CA ASP A 366 91.411 -8.971 -8.195 1.00 1.93 C ATOM 781 C ASP A 366 90.834 -7.601 -8.543 1.00 2.04 C ATOM 782 O ASP A 366 89.729 -7.262 -8.166 1.00 2.65 O ATOM 783 CB ASP A 366 90.403 -10.077 -8.502 1.00 2.62 C ATOM 784 CG ASP A 366 91.072 -11.441 -8.326 1.00 2.50 C ATOM 785 OD1 ASP A 366 92.284 -11.471 -8.186 1.00 2.50 O ATOM 786 OD2 ASP A 366 90.362 -12.433 -8.333 1.00 2.86 O ATOM 0 H ASP A 366 90.990 -9.649 -6.216 1.00 1.70 H new ATOM 0 HA ASP A 366 92.326 -9.089 -8.775 1.00 1.93 H new ATOM 0 HB2 ASP A 366 89.543 -9.994 -7.838 1.00 2.62 H new ATOM 0 HB3 ASP A 366 90.031 -9.972 -9.521 1.00 2.62 H new ATOM 791 N VAL A 367 91.592 -6.797 -9.230 1.00 1.75 N ATOM 792 CA VAL A 367 91.117 -5.430 -9.572 1.00 2.31 C ATOM 793 C VAL A 367 90.004 -5.496 -10.624 1.00 2.53 C ATOM 794 O VAL A 367 89.020 -4.792 -10.541 1.00 3.04 O ATOM 795 CB VAL A 367 92.352 -4.724 -10.132 1.00 2.28 C ATOM 796 CG1 VAL A 367 91.951 -3.378 -10.730 1.00 2.89 C ATOM 797 CG2 VAL A 367 93.366 -4.500 -9.007 1.00 2.52 C ATOM 0 H VAL A 367 92.525 -7.029 -9.571 1.00 1.75 H new ATOM 0 HA VAL A 367 90.698 -4.907 -8.712 1.00 2.31 H new ATOM 0 HB VAL A 367 92.799 -5.344 -10.909 1.00 2.28 H new ATOM 0 HG11 VAL A 367 92.835 -2.879 -11.128 1.00 2.89 H new ATOM 0 HG12 VAL A 367 91.231 -3.537 -11.533 1.00 2.89 H new ATOM 0 HG13 VAL A 367 91.500 -2.756 -9.957 1.00 2.89 H new ATOM 0 HG21 VAL A 367 94.247 -3.997 -9.406 1.00 2.52 H new ATOM 0 HG22 VAL A 367 92.916 -3.883 -8.229 1.00 2.52 H new ATOM 0 HG23 VAL A 367 93.658 -5.461 -8.584 1.00 2.52 H new ATOM 807 N GLN A 368 90.186 -6.283 -11.650 1.00 2.20 N ATOM 808 CA GLN A 368 89.171 -6.322 -12.745 1.00 2.40 C ATOM 809 C GLN A 368 87.917 -7.084 -12.307 1.00 2.11 C ATOM 810 O GLN A 368 86.833 -6.828 -12.793 1.00 2.30 O ATOM 811 CB GLN A 368 89.851 -7.038 -13.909 1.00 2.46 C ATOM 812 CG GLN A 368 88.962 -6.925 -15.148 1.00 3.09 C ATOM 813 CD GLN A 368 89.597 -7.697 -16.306 1.00 3.29 C ATOM 814 OE1 GLN A 368 89.749 -8.901 -16.237 1.00 3.32 O ATOM 815 NE2 GLN A 368 89.975 -7.052 -17.376 1.00 3.69 N ATOM 0 H GLN A 368 90.989 -6.898 -11.778 1.00 2.20 H new ATOM 0 HA GLN A 368 88.844 -5.319 -13.019 1.00 2.40 H new ATOM 0 HB2 GLN A 368 90.828 -6.596 -14.105 1.00 2.46 H new ATOM 0 HB3 GLN A 368 90.019 -8.086 -13.660 1.00 2.46 H new ATOM 0 HG2 GLN A 368 87.970 -7.322 -14.934 1.00 3.09 H new ATOM 0 HG3 GLN A 368 88.834 -5.878 -15.422 1.00 3.09 H new ATOM 0 HE21 GLN A 368 89.848 -6.042 -17.434 1.00 3.69 H new ATOM 0 HE22 GLN A 368 90.398 -7.558 -18.154 1.00 3.69 H new ATOM 824 N SER A 369 88.017 -7.890 -11.286 1.00 1.80 N ATOM 825 CA SER A 369 86.781 -8.498 -10.713 1.00 1.87 C ATOM 826 C SER A 369 86.028 -7.438 -9.911 1.00 1.79 C ATOM 827 O SER A 369 84.814 -7.425 -9.863 1.00 2.27 O ATOM 828 CB SER A 369 87.260 -9.632 -9.808 1.00 2.47 C ATOM 829 OG SER A 369 87.868 -9.079 -8.649 1.00 3.05 O ATOM 0 H SER A 369 88.890 -8.152 -10.827 1.00 1.80 H new ATOM 0 HA SER A 369 86.103 -8.873 -11.479 1.00 1.87 H new ATOM 0 HB2 SER A 369 86.420 -10.267 -9.525 1.00 2.47 H new ATOM 0 HB3 SER A 369 87.972 -10.263 -10.341 1.00 2.47 H new ATOM 0 HG SER A 369 88.427 -8.316 -8.905 1.00 3.05 H new ATOM 835 N LEU A 370 86.734 -6.452 -9.438 1.00 1.38 N ATOM 836 CA LEU A 370 86.060 -5.278 -8.822 1.00 1.39 C ATOM 837 C LEU A 370 85.825 -4.202 -9.885 1.00 1.12 C ATOM 838 O LEU A 370 85.477 -3.081 -9.574 1.00 1.30 O ATOM 839 CB LEU A 370 87.045 -4.777 -7.766 1.00 1.54 C ATOM 840 CG LEU A 370 87.427 -5.930 -6.839 1.00 1.39 C ATOM 841 CD1 LEU A 370 88.565 -5.489 -5.919 1.00 1.80 C ATOM 842 CD2 LEU A 370 86.214 -6.327 -5.995 1.00 2.14 C ATOM 0 H LEU A 370 87.753 -6.408 -9.452 1.00 1.38 H new ATOM 0 HA LEU A 370 85.089 -5.526 -8.392 1.00 1.39 H new ATOM 0 HB2 LEU A 370 87.936 -4.372 -8.247 1.00 1.54 H new ATOM 0 HB3 LEU A 370 86.597 -3.967 -7.191 1.00 1.54 H new ATOM 0 HG LEU A 370 87.752 -6.783 -7.434 1.00 1.39 H new ATOM 0 HD11 LEU A 370 88.838 -6.311 -5.258 1.00 1.80 H new ATOM 0 HD12 LEU A 370 89.429 -5.205 -6.520 1.00 1.80 H new ATOM 0 HD13 LEU A 370 88.241 -4.636 -5.323 1.00 1.80 H new ATOM 0 HD21 LEU A 370 86.485 -7.150 -5.333 1.00 2.14 H new ATOM 0 HD22 LEU A 370 85.890 -5.473 -5.399 1.00 2.14 H new ATOM 0 HD23 LEU A 370 85.402 -6.641 -6.650 1.00 2.14 H new ATOM 854 N HIS A 371 86.170 -4.488 -11.116 1.00 1.29 N ATOM 855 CA HIS A 371 86.134 -3.424 -12.158 1.00 1.13 C ATOM 856 C HIS A 371 87.047 -2.282 -11.724 1.00 1.00 C ATOM 857 O HIS A 371 86.845 -1.134 -12.064 1.00 1.35 O ATOM 858 CB HIS A 371 84.686 -2.959 -12.205 1.00 1.54 C ATOM 859 CG HIS A 371 83.777 -4.148 -12.357 1.00 1.50 C ATOM 860 ND1 HIS A 371 83.715 -4.884 -13.530 1.00 1.97 N ATOM 861 CD2 HIS A 371 82.891 -4.743 -11.493 1.00 1.80 C ATOM 862 CE1 HIS A 371 82.818 -5.869 -13.341 1.00 2.10 C ATOM 863 NE2 HIS A 371 82.287 -5.829 -12.117 1.00 1.80 N ATOM 0 H HIS A 371 86.473 -5.407 -11.440 1.00 1.29 H new ATOM 0 HA HIS A 371 86.471 -3.772 -13.134 1.00 1.13 H new ATOM 0 HB2 HIS A 371 84.439 -2.414 -11.294 1.00 1.54 H new ATOM 0 HB3 HIS A 371 84.542 -2.270 -13.037 1.00 1.54 H new ATOM 0 HD2 HIS A 371 82.693 -4.417 -10.483 1.00 1.80 H new ATOM 0 HE1 HIS A 371 82.559 -6.603 -14.089 1.00 2.10 H new ATOM 0 HE2 HIS A 371 81.588 -6.460 -11.724 1.00 1.80 H new ATOM 871 N ALA A 372 88.050 -2.610 -10.970 1.00 0.75 N ATOM 872 CA ALA A 372 89.007 -1.579 -10.486 1.00 0.94 C ATOM 873 C ALA A 372 90.135 -1.381 -11.506 1.00 0.90 C ATOM 874 O ALA A 372 90.036 -1.785 -12.648 1.00 1.04 O ATOM 875 CB ALA A 372 89.555 -2.140 -9.174 1.00 1.12 C ATOM 0 H ALA A 372 88.253 -3.561 -10.662 1.00 0.75 H new ATOM 0 HA ALA A 372 88.536 -0.606 -10.348 1.00 0.94 H new ATOM 0 HB1 ALA A 372 90.272 -1.437 -8.749 1.00 1.12 H new ATOM 0 HB2 ALA A 372 88.735 -2.291 -8.472 1.00 1.12 H new ATOM 0 HB3 ALA A 372 90.050 -3.092 -9.364 1.00 1.12 H new ATOM 881 N THR A 373 91.172 -0.700 -11.112 1.00 0.85 N ATOM 882 CA THR A 373 92.285 -0.388 -12.057 1.00 0.95 C ATOM 883 C THR A 373 93.638 -0.530 -11.359 1.00 0.93 C ATOM 884 O THR A 373 93.813 -0.105 -10.239 1.00 0.95 O ATOM 885 CB THR A 373 92.061 1.068 -12.457 1.00 1.32 C ATOM 886 OG1 THR A 373 90.871 1.175 -13.225 1.00 2.11 O ATOM 887 CG2 THR A 373 93.255 1.568 -13.272 1.00 1.90 C ATOM 0 H THR A 373 91.300 -0.341 -10.166 1.00 0.85 H new ATOM 0 HA THR A 373 92.293 -1.063 -12.913 1.00 0.95 H new ATOM 0 HB THR A 373 91.962 1.678 -11.559 1.00 1.32 H new ATOM 0 HG1 THR A 373 90.729 2.111 -13.479 1.00 2.11 H new ATOM 0 HG21 THR A 373 93.092 2.608 -13.556 1.00 1.90 H new ATOM 0 HG22 THR A 373 94.162 1.494 -12.672 1.00 1.90 H new ATOM 0 HG23 THR A 373 93.363 0.959 -14.170 1.00 1.90 H new ATOM 895 N PHE A 374 94.626 -1.002 -12.057 1.00 1.01 N ATOM 896 CA PHE A 374 96.003 -1.025 -11.478 1.00 1.25 C ATOM 897 C PHE A 374 96.729 0.283 -11.821 1.00 1.63 C ATOM 898 O PHE A 374 96.685 0.744 -12.944 1.00 1.61 O ATOM 899 CB PHE A 374 96.710 -2.197 -12.170 1.00 1.33 C ATOM 900 CG PHE A 374 96.119 -3.513 -11.724 1.00 1.63 C ATOM 901 CD1 PHE A 374 96.425 -4.029 -10.455 1.00 1.41 C ATOM 902 CD2 PHE A 374 95.276 -4.227 -12.586 1.00 2.53 C ATOM 903 CE1 PHE A 374 95.886 -5.259 -10.050 1.00 1.89 C ATOM 904 CE2 PHE A 374 94.739 -5.458 -12.182 1.00 3.09 C ATOM 905 CZ PHE A 374 95.044 -5.974 -10.914 1.00 2.72 C ATOM 0 H PHE A 374 94.546 -1.374 -13.003 1.00 1.01 H new ATOM 0 HA PHE A 374 95.990 -1.131 -10.393 1.00 1.25 H new ATOM 0 HB2 PHE A 374 96.616 -2.098 -13.251 1.00 1.33 H new ATOM 0 HB3 PHE A 374 97.775 -2.174 -11.939 1.00 1.33 H new ATOM 0 HD1 PHE A 374 97.075 -3.479 -9.791 1.00 1.41 H new ATOM 0 HD2 PHE A 374 95.040 -3.829 -13.562 1.00 2.53 H new ATOM 0 HE1 PHE A 374 96.119 -5.655 -9.073 1.00 1.89 H new ATOM 0 HE2 PHE A 374 94.091 -6.009 -12.847 1.00 3.09 H new ATOM 0 HZ PHE A 374 94.630 -6.922 -10.603 1.00 2.72 H new ATOM 915 N VAL A 375 97.482 0.827 -10.903 1.00 2.14 N ATOM 916 CA VAL A 375 98.300 2.033 -11.234 1.00 2.61 C ATOM 917 C VAL A 375 99.779 1.645 -11.339 1.00 2.22 C ATOM 918 O VAL A 375 100.373 1.220 -10.368 1.00 1.65 O ATOM 919 CB VAL A 375 98.089 2.997 -10.068 1.00 3.32 C ATOM 920 CG1 VAL A 375 98.748 4.338 -10.391 1.00 4.00 C ATOM 921 CG2 VAL A 375 96.589 3.205 -9.842 1.00 3.65 C ATOM 0 H VAL A 375 97.567 0.492 -9.943 1.00 2.14 H new ATOM 0 HA VAL A 375 98.010 2.479 -12.185 1.00 2.61 H new ATOM 0 HB VAL A 375 98.537 2.580 -9.166 1.00 3.32 H new ATOM 0 HG11 VAL A 375 98.598 5.027 -9.560 1.00 4.00 H new ATOM 0 HG12 VAL A 375 99.816 4.189 -10.551 1.00 4.00 H new ATOM 0 HG13 VAL A 375 98.301 4.755 -11.293 1.00 4.00 H new ATOM 0 HG21 VAL A 375 96.438 3.893 -9.010 1.00 3.65 H new ATOM 0 HG22 VAL A 375 96.140 3.622 -10.743 1.00 3.65 H new ATOM 0 HG23 VAL A 375 96.120 2.249 -9.612 1.00 3.65 H new ATOM 931 N PRO A 376 100.295 1.726 -12.536 1.00 2.87 N ATOM 932 CA PRO A 376 101.688 1.285 -12.803 1.00 2.67 C ATOM 933 C PRO A 376 102.680 1.978 -11.862 1.00 2.48 C ATOM 934 O PRO A 376 102.474 3.093 -11.428 1.00 3.24 O ATOM 935 CB PRO A 376 101.944 1.695 -14.257 1.00 3.84 C ATOM 936 CG PRO A 376 100.792 2.568 -14.652 1.00 4.63 C ATOM 937 CD PRO A 376 99.643 2.235 -13.741 1.00 4.03 C ATOM 0 HA PRO A 376 101.818 0.215 -12.640 1.00 2.67 H new ATOM 0 HB2 PRO A 376 102.889 2.231 -14.350 1.00 3.84 H new ATOM 0 HB3 PRO A 376 102.009 0.820 -14.903 1.00 3.84 H new ATOM 0 HG2 PRO A 376 101.060 3.621 -14.563 1.00 4.63 H new ATOM 0 HG3 PRO A 376 100.519 2.396 -15.693 1.00 4.63 H new ATOM 0 HD2 PRO A 376 99.034 3.113 -13.527 1.00 4.03 H new ATOM 0 HD3 PRO A 376 98.983 1.490 -14.185 1.00 4.03 H new ATOM 945 N PHE A 377 103.775 1.326 -11.580 1.00 2.13 N ATOM 946 CA PHE A 377 104.823 1.932 -10.707 1.00 3.07 C ATOM 947 C PHE A 377 105.915 2.569 -11.570 1.00 3.61 C ATOM 948 O PHE A 377 106.566 1.907 -12.353 1.00 4.10 O ATOM 949 CB PHE A 377 105.382 0.742 -9.915 1.00 3.15 C ATOM 950 CG PHE A 377 106.520 1.181 -9.016 1.00 3.91 C ATOM 951 CD1 PHE A 377 106.779 2.545 -8.805 1.00 4.01 C ATOM 952 CD2 PHE A 377 107.328 0.215 -8.401 1.00 4.73 C ATOM 953 CE1 PHE A 377 107.842 2.938 -7.982 1.00 4.92 C ATOM 954 CE2 PHE A 377 108.393 0.609 -7.578 1.00 5.70 C ATOM 955 CZ PHE A 377 108.649 1.971 -7.370 1.00 5.79 C ATOM 0 H PHE A 377 103.991 0.389 -11.921 1.00 2.13 H new ATOM 0 HA PHE A 377 104.437 2.718 -10.057 1.00 3.07 H new ATOM 0 HB2 PHE A 377 104.590 0.295 -9.314 1.00 3.15 H new ATOM 0 HB3 PHE A 377 105.732 -0.027 -10.604 1.00 3.15 H new ATOM 0 HD1 PHE A 377 106.158 3.292 -9.278 1.00 4.01 H new ATOM 0 HD2 PHE A 377 107.130 -0.835 -8.561 1.00 4.73 H new ATOM 0 HE1 PHE A 377 108.039 3.987 -7.819 1.00 4.92 H new ATOM 0 HE2 PHE A 377 109.015 -0.136 -7.105 1.00 5.70 H new ATOM 0 HZ PHE A 377 109.470 2.275 -6.737 1.00 5.79 H new ATOM 965 N THR A 378 106.157 3.838 -11.393 1.00 3.85 N ATOM 966 CA THR A 378 107.249 4.503 -12.161 1.00 4.47 C ATOM 967 C THR A 378 108.385 4.891 -11.215 1.00 4.28 C ATOM 968 O THR A 378 108.156 5.292 -10.090 1.00 3.71 O ATOM 969 CB THR A 378 106.606 5.748 -12.770 1.00 4.59 C ATOM 970 OG1 THR A 378 106.371 6.707 -11.748 1.00 4.26 O ATOM 971 CG2 THR A 378 105.280 5.370 -13.432 1.00 5.29 C ATOM 0 H THR A 378 105.647 4.444 -10.750 1.00 3.85 H new ATOM 0 HA THR A 378 107.676 3.855 -12.926 1.00 4.47 H new ATOM 0 HB THR A 378 107.275 6.171 -13.519 1.00 4.59 H new ATOM 0 HG1 THR A 378 105.960 7.507 -12.138 1.00 4.26 H new ATOM 0 HG21 THR A 378 104.823 6.260 -13.866 1.00 5.29 H new ATOM 0 HG22 THR A 378 105.462 4.636 -14.217 1.00 5.29 H new ATOM 0 HG23 THR A 378 104.609 4.945 -12.686 1.00 5.29 H new ATOM 979 N ALA A 379 109.606 4.740 -11.651 1.00 5.01 N ATOM 980 CA ALA A 379 110.763 5.062 -10.769 1.00 5.10 C ATOM 981 C ALA A 379 110.951 6.578 -10.663 1.00 5.05 C ATOM 982 O ALA A 379 111.462 7.080 -9.681 1.00 5.37 O ATOM 983 CB ALA A 379 111.971 4.419 -11.451 1.00 6.13 C ATOM 0 H ALA A 379 109.852 4.406 -12.583 1.00 5.01 H new ATOM 0 HA ALA A 379 110.620 4.692 -9.754 1.00 5.10 H new ATOM 0 HB1 ALA A 379 112.867 4.612 -10.861 1.00 6.13 H new ATOM 0 HB2 ALA A 379 111.814 3.343 -11.531 1.00 6.13 H new ATOM 0 HB3 ALA A 379 112.095 4.843 -12.447 1.00 6.13 H new ATOM 989 N GLN A 380 110.603 7.306 -11.689 1.00 4.87 N ATOM 990 CA GLN A 380 110.832 8.780 -11.661 1.00 4.93 C ATOM 991 C GLN A 380 110.104 9.400 -10.468 1.00 4.05 C ATOM 992 O GLN A 380 110.684 10.123 -9.683 1.00 3.84 O ATOM 993 CB GLN A 380 110.247 9.297 -12.976 1.00 5.65 C ATOM 994 CG GLN A 380 111.026 8.704 -14.151 1.00 6.07 C ATOM 995 CD GLN A 380 110.510 9.304 -15.460 1.00 7.03 C ATOM 996 OE1 GLN A 380 110.851 10.417 -15.808 1.00 7.74 O ATOM 997 NE2 GLN A 380 109.697 8.608 -16.206 1.00 7.22 N ATOM 0 H GLN A 380 110.172 6.947 -12.541 1.00 4.87 H new ATOM 0 HA GLN A 380 111.887 9.035 -11.558 1.00 4.93 H new ATOM 0 HB2 GLN A 380 109.194 9.024 -13.050 1.00 5.65 H new ATOM 0 HB3 GLN A 380 110.297 10.385 -13.005 1.00 5.65 H new ATOM 0 HG2 GLN A 380 112.090 8.912 -14.038 1.00 6.07 H new ATOM 0 HG3 GLN A 380 110.913 7.620 -14.166 1.00 6.07 H new ATOM 0 HE21 GLN A 380 109.411 7.674 -15.914 1.00 7.22 H new ATOM 0 HE22 GLN A 380 109.348 8.998 -17.081 1.00 7.22 H new ATOM 1006 N SER A 381 108.878 9.014 -10.250 1.00 3.64 N ATOM 1007 CA SER A 381 108.163 9.460 -9.022 1.00 3.06 C ATOM 1008 C SER A 381 108.407 8.460 -7.894 1.00 2.42 C ATOM 1009 O SER A 381 108.201 8.759 -6.736 1.00 3.00 O ATOM 1010 CB SER A 381 106.686 9.484 -9.408 1.00 3.49 C ATOM 1011 OG SER A 381 106.494 10.409 -10.471 1.00 3.82 O ATOM 0 H SER A 381 108.340 8.408 -10.870 1.00 3.64 H new ATOM 0 HA SER A 381 108.503 10.434 -8.670 1.00 3.06 H new ATOM 0 HB2 SER A 381 106.362 8.489 -9.713 1.00 3.49 H new ATOM 0 HB3 SER A 381 106.078 9.768 -8.549 1.00 3.49 H new ATOM 0 HG SER A 381 105.547 10.426 -10.723 1.00 3.82 H new ATOM 1017 N ARG A 382 108.785 7.257 -8.234 1.00 1.65 N ATOM 1018 CA ARG A 382 108.970 6.205 -7.195 1.00 1.74 C ATOM 1019 C ARG A 382 107.624 5.895 -6.538 1.00 1.57 C ATOM 1020 O ARG A 382 107.471 6.003 -5.337 1.00 2.08 O ATOM 1021 CB ARG A 382 109.941 6.808 -6.176 1.00 2.53 C ATOM 1022 CG ARG A 382 111.097 7.481 -6.917 1.00 2.69 C ATOM 1023 CD ARG A 382 112.147 7.959 -5.911 1.00 2.89 C ATOM 1024 NE ARG A 382 111.468 9.027 -5.125 1.00 3.36 N ATOM 1025 CZ ARG A 382 111.200 10.181 -5.678 1.00 3.67 C ATOM 1026 NH1 ARG A 382 111.533 10.409 -6.920 1.00 3.72 N ATOM 1027 NH2 ARG A 382 110.601 11.110 -4.984 1.00 4.25 N ATOM 0 H ARG A 382 108.974 6.957 -9.190 1.00 1.65 H new ATOM 0 HA ARG A 382 109.355 5.273 -7.608 1.00 1.74 H new ATOM 0 HB2 ARG A 382 109.424 7.534 -5.549 1.00 2.53 H new ATOM 0 HB3 ARG A 382 110.322 6.030 -5.514 1.00 2.53 H new ATOM 0 HG2 ARG A 382 111.547 6.781 -7.621 1.00 2.69 H new ATOM 0 HG3 ARG A 382 110.726 8.325 -7.499 1.00 2.69 H new ATOM 0 HD2 ARG A 382 112.477 7.144 -5.267 1.00 2.89 H new ATOM 0 HD3 ARG A 382 113.033 8.344 -6.417 1.00 2.89 H new ATOM 0 HE ARG A 382 111.211 8.857 -4.152 1.00 3.36 H new ATOM 0 HH11 ARG A 382 112.004 9.685 -7.463 1.00 3.72 H new ATOM 0 HH12 ARG A 382 111.322 11.311 -7.347 1.00 3.72 H new ATOM 0 HH21 ARG A 382 110.343 10.935 -4.013 1.00 4.25 H new ATOM 0 HH22 ARG A 382 110.391 12.011 -5.413 1.00 4.25 H new ATOM 1041 N MET A 383 106.624 5.589 -7.322 1.00 1.27 N ATOM 1042 CA MET A 383 105.274 5.370 -6.734 1.00 1.19 C ATOM 1043 C MET A 383 104.464 4.379 -7.569 1.00 1.07 C ATOM 1044 O MET A 383 104.462 4.421 -8.783 1.00 1.14 O ATOM 1045 CB MET A 383 104.605 6.744 -6.749 1.00 1.32 C ATOM 1046 CG MET A 383 105.397 7.704 -5.865 1.00 1.51 C ATOM 1047 SD MET A 383 104.520 9.284 -5.749 1.00 2.09 S ATOM 1048 CE MET A 383 103.215 8.737 -4.621 1.00 1.57 C ATOM 0 H MET A 383 106.684 5.482 -8.335 1.00 1.27 H new ATOM 0 HA MET A 383 105.338 4.950 -5.730 1.00 1.19 H new ATOM 0 HB2 MET A 383 104.558 7.126 -7.769 1.00 1.32 H new ATOM 0 HB3 MET A 383 103.579 6.665 -6.390 1.00 1.32 H new ATOM 0 HG2 MET A 383 105.528 7.275 -4.871 1.00 1.51 H new ATOM 0 HG3 MET A 383 106.393 7.859 -6.280 1.00 1.51 H new ATOM 0 HE1 MET A 383 102.279 8.632 -5.170 1.00 1.57 H new ATOM 0 HE2 MET A 383 103.490 7.776 -4.186 1.00 1.57 H new ATOM 0 HE3 MET A 383 103.089 9.473 -3.827 1.00 1.57 H new ATOM 1058 N SER A 384 103.648 3.616 -6.906 1.00 0.97 N ATOM 1059 CA SER A 384 102.666 2.749 -7.607 1.00 1.02 C ATOM 1060 C SER A 384 101.392 2.711 -6.768 1.00 0.93 C ATOM 1061 O SER A 384 101.383 3.161 -5.644 1.00 0.83 O ATOM 1062 CB SER A 384 103.322 1.372 -7.661 1.00 1.23 C ATOM 1063 OG SER A 384 103.185 0.738 -6.395 1.00 1.18 O ATOM 0 H SER A 384 103.619 3.555 -5.888 1.00 0.97 H new ATOM 0 HA SER A 384 102.407 3.097 -8.607 1.00 1.02 H new ATOM 0 HB2 SER A 384 102.857 0.765 -8.437 1.00 1.23 H new ATOM 0 HB3 SER A 384 104.376 1.468 -7.921 1.00 1.23 H new ATOM 0 HG SER A 384 102.335 0.251 -6.363 1.00 1.18 H new ATOM 1069 N GLY A 385 100.305 2.248 -7.302 1.00 1.02 N ATOM 1070 CA GLY A 385 99.048 2.278 -6.506 1.00 1.00 C ATOM 1071 C GLY A 385 97.962 1.483 -7.207 1.00 0.95 C ATOM 1072 O GLY A 385 98.203 0.756 -8.149 1.00 1.13 O ATOM 0 H GLY A 385 100.227 1.855 -8.240 1.00 1.02 H new ATOM 0 HA2 GLY A 385 99.228 1.864 -5.514 1.00 1.00 H new ATOM 0 HA3 GLY A 385 98.722 3.309 -6.367 1.00 1.00 H new ATOM 1076 N ILE A 386 96.762 1.635 -6.753 1.00 0.80 N ATOM 1077 CA ILE A 386 95.625 0.919 -7.371 1.00 0.78 C ATOM 1078 C ILE A 386 94.359 1.746 -7.187 1.00 0.77 C ATOM 1079 O ILE A 386 94.197 2.435 -6.204 1.00 0.80 O ATOM 1080 CB ILE A 386 95.536 -0.396 -6.608 1.00 0.81 C ATOM 1081 CG1 ILE A 386 94.214 -1.087 -6.916 1.00 0.86 C ATOM 1082 CG2 ILE A 386 95.618 -0.137 -5.105 1.00 0.84 C ATOM 1083 CD1 ILE A 386 94.188 -2.412 -6.167 1.00 1.26 C ATOM 0 H ILE A 386 96.514 2.235 -5.966 1.00 0.80 H new ATOM 0 HA ILE A 386 95.749 0.751 -8.441 1.00 0.78 H new ATOM 0 HB ILE A 386 96.366 -1.032 -6.916 1.00 0.81 H new ATOM 0 HG12 ILE A 386 93.376 -0.460 -6.610 1.00 0.86 H new ATOM 0 HG13 ILE A 386 94.112 -1.254 -7.988 1.00 0.86 H new ATOM 0 HG21 ILE A 386 95.553 -1.084 -4.569 1.00 0.84 H new ATOM 0 HG22 ILE A 386 96.565 0.349 -4.871 1.00 0.84 H new ATOM 0 HG23 ILE A 386 94.794 0.509 -4.802 1.00 0.84 H new ATOM 0 HD11 ILE A 386 93.249 -2.927 -6.371 1.00 1.26 H new ATOM 0 HD12 ILE A 386 95.022 -3.032 -6.496 1.00 1.26 H new ATOM 0 HD13 ILE A 386 94.274 -2.226 -5.096 1.00 1.26 H new ATOM 1095 N ASN A 387 93.448 1.652 -8.097 1.00 0.78 N ATOM 1096 CA ASN A 387 92.173 2.397 -7.944 1.00 0.83 C ATOM 1097 C ASN A 387 91.021 1.402 -7.971 1.00 0.92 C ATOM 1098 O ASN A 387 91.034 0.462 -8.730 1.00 0.86 O ATOM 1099 CB ASN A 387 92.094 3.330 -9.155 1.00 0.91 C ATOM 1100 CG ASN A 387 93.458 3.975 -9.401 1.00 1.31 C ATOM 1101 OD1 ASN A 387 94.231 4.240 -8.387 1.00 2.04 O flip ATOM 1102 ND2 ASN A 387 93.824 4.238 -10.529 1.00 1.81 N flip ATOM 0 H ASN A 387 93.526 1.091 -8.945 1.00 0.78 H new ATOM 0 HA ASN A 387 92.121 2.956 -7.010 1.00 0.83 H new ATOM 0 HB2 ASN A 387 91.782 2.771 -10.037 1.00 0.91 H new ATOM 0 HB3 ASN A 387 91.343 4.101 -8.984 1.00 0.91 H new ATOM 0 HD21 ASN A 387 93.218 4.030 -11.323 1.00 1.81 H new ATOM 0 HD22 ASN A 387 94.737 4.666 -10.682 1.00 1.81 H new ATOM 1109 N ILE A 388 89.995 1.627 -7.217 1.00 1.18 N ATOM 1110 CA ILE A 388 88.830 0.709 -7.303 1.00 1.31 C ATOM 1111 C ILE A 388 87.533 1.484 -7.105 1.00 1.70 C ATOM 1112 O ILE A 388 87.543 2.654 -6.781 1.00 1.89 O ATOM 1113 CB ILE A 388 89.039 -0.307 -6.188 1.00 1.24 C ATOM 1114 CG1 ILE A 388 87.874 -1.297 -6.172 1.00 1.66 C ATOM 1115 CG2 ILE A 388 89.108 0.422 -4.853 1.00 1.50 C ATOM 1116 CD1 ILE A 388 88.357 -2.632 -5.612 1.00 2.11 C ATOM 0 H ILE A 388 89.907 2.395 -6.551 1.00 1.18 H new ATOM 0 HA ILE A 388 88.756 0.223 -8.276 1.00 1.31 H new ATOM 0 HB ILE A 388 89.969 -0.850 -6.357 1.00 1.24 H new ATOM 0 HG12 ILE A 388 87.058 -0.907 -5.563 1.00 1.66 H new ATOM 0 HG13 ILE A 388 87.482 -1.432 -7.180 1.00 1.66 H new ATOM 0 HG21 ILE A 388 89.258 -0.301 -4.051 1.00 1.50 H new ATOM 0 HG22 ILE A 388 89.939 1.127 -4.866 1.00 1.50 H new ATOM 0 HG23 ILE A 388 88.177 0.963 -4.685 1.00 1.50 H new ATOM 0 HD11 ILE A 388 87.530 -3.342 -5.598 1.00 2.11 H new ATOM 0 HD12 ILE A 388 89.159 -3.021 -6.240 1.00 2.11 H new ATOM 0 HD13 ILE A 388 88.728 -2.488 -4.597 1.00 2.11 H new ATOM 1128 N ASP A 389 86.428 0.883 -7.444 1.00 1.97 N ATOM 1129 CA ASP A 389 85.136 1.626 -7.460 1.00 2.37 C ATOM 1130 C ASP A 389 84.700 2.132 -6.067 1.00 2.14 C ATOM 1131 O ASP A 389 83.642 2.712 -5.934 1.00 2.92 O ATOM 1132 CB ASP A 389 84.137 0.594 -7.967 1.00 2.65 C ATOM 1133 CG ASP A 389 84.370 0.345 -9.459 1.00 3.31 C ATOM 1134 OD1 ASP A 389 85.146 1.080 -10.047 1.00 3.63 O ATOM 1135 OD2 ASP A 389 83.767 -0.575 -9.986 1.00 3.85 O ATOM 0 H ASP A 389 86.363 -0.099 -7.713 1.00 1.97 H new ATOM 0 HA ASP A 389 85.211 2.524 -8.073 1.00 2.37 H new ATOM 0 HB2 ASP A 389 84.247 -0.337 -7.411 1.00 2.65 H new ATOM 0 HB3 ASP A 389 83.119 0.946 -7.801 1.00 2.65 H new ATOM 1140 N ASN A 390 85.521 2.022 -5.055 1.00 1.20 N ATOM 1141 CA ASN A 390 85.142 2.620 -3.742 1.00 1.12 C ATOM 1142 C ASN A 390 86.373 3.171 -3.001 1.00 0.97 C ATOM 1143 O ASN A 390 86.286 3.537 -1.846 1.00 1.15 O ATOM 1144 CB ASN A 390 84.518 1.468 -2.953 1.00 1.13 C ATOM 1145 CG ASN A 390 83.978 1.994 -1.622 1.00 1.53 C ATOM 1146 OD1 ASN A 390 84.562 1.764 -0.582 1.00 2.33 O ATOM 1147 ND2 ASN A 390 82.878 2.695 -1.610 1.00 1.89 N ATOM 0 H ASN A 390 86.425 1.551 -5.080 1.00 1.20 H new ATOM 0 HA ASN A 390 84.460 3.461 -3.866 1.00 1.12 H new ATOM 0 HB2 ASN A 390 83.713 1.012 -3.530 1.00 1.13 H new ATOM 0 HB3 ASN A 390 85.261 0.691 -2.774 1.00 1.13 H new ATOM 0 HD21 ASN A 390 82.509 3.050 -0.728 1.00 1.89 H new ATOM 0 HD22 ASN A 390 82.387 2.889 -2.483 1.00 1.89 H new ATOM 1154 N ARG A 391 87.538 3.123 -3.598 1.00 0.83 N ATOM 1155 CA ARG A 391 88.765 3.521 -2.849 1.00 0.73 C ATOM 1156 C ARG A 391 89.884 3.933 -3.809 1.00 0.74 C ATOM 1157 O ARG A 391 90.000 3.404 -4.894 1.00 1.10 O ATOM 1158 CB ARG A 391 89.182 2.270 -2.071 1.00 0.94 C ATOM 1159 CG ARG A 391 88.122 1.933 -1.019 1.00 1.05 C ATOM 1160 CD ARG A 391 88.646 0.822 -0.107 1.00 1.30 C ATOM 1161 NE ARG A 391 87.481 0.437 0.739 1.00 1.92 N ATOM 1162 CZ ARG A 391 86.474 -0.212 0.215 1.00 2.13 C ATOM 1163 NH1 ARG A 391 86.482 -0.528 -1.052 1.00 2.15 N ATOM 1164 NH2 ARG A 391 85.457 -0.544 0.962 1.00 2.69 N ATOM 0 H ARG A 391 87.690 2.828 -4.563 1.00 0.83 H new ATOM 0 HA ARG A 391 88.576 4.375 -2.198 1.00 0.73 H new ATOM 0 HB2 ARG A 391 89.308 1.431 -2.755 1.00 0.94 H new ATOM 0 HB3 ARG A 391 90.146 2.435 -1.589 1.00 0.94 H new ATOM 0 HG2 ARG A 391 87.883 2.819 -0.431 1.00 1.05 H new ATOM 0 HG3 ARG A 391 87.200 1.615 -1.505 1.00 1.05 H new ATOM 0 HD2 ARG A 391 89.010 -0.026 -0.687 1.00 1.30 H new ATOM 0 HD3 ARG A 391 89.479 1.172 0.503 1.00 1.30 H new ATOM 0 HE ARG A 391 87.469 0.680 1.729 1.00 1.92 H new ATOM 0 HH11 ARG A 391 87.276 -0.269 -1.637 1.00 2.15 H new ATOM 0 HH12 ARG A 391 85.694 -1.034 -1.456 1.00 2.15 H new ATOM 0 HH21 ARG A 391 85.449 -0.297 1.952 1.00 2.69 H new ATOM 0 HH22 ARG A 391 84.670 -1.050 0.556 1.00 2.69 H new ATOM 1178 N MET A 392 90.839 4.671 -3.319 1.00 0.48 N ATOM 1179 CA MET A 392 92.095 4.870 -4.095 1.00 0.51 C ATOM 1180 C MET A 392 93.295 4.575 -3.187 1.00 0.48 C ATOM 1181 O MET A 392 93.287 4.907 -2.019 1.00 0.52 O ATOM 1182 CB MET A 392 92.081 6.338 -4.518 1.00 0.59 C ATOM 1183 CG MET A 392 90.882 6.596 -5.434 1.00 1.14 C ATOM 1184 SD MET A 392 90.969 8.282 -6.084 1.00 1.31 S ATOM 1185 CE MET A 392 90.934 9.141 -4.492 1.00 2.02 C ATOM 0 H MET A 392 90.805 5.145 -2.416 1.00 0.48 H new ATOM 0 HA MET A 392 92.167 4.212 -4.961 1.00 0.51 H new ATOM 0 HB2 MET A 392 92.025 6.980 -3.639 1.00 0.59 H new ATOM 0 HB3 MET A 392 93.007 6.587 -5.036 1.00 0.59 H new ATOM 0 HG2 MET A 392 90.877 5.879 -6.255 1.00 1.14 H new ATOM 0 HG3 MET A 392 89.953 6.455 -4.882 1.00 1.14 H new ATOM 0 HE1 MET A 392 90.412 10.091 -4.603 1.00 2.02 H new ATOM 0 HE2 MET A 392 90.415 8.525 -3.758 1.00 2.02 H new ATOM 0 HE3 MET A 392 91.954 9.325 -4.155 1.00 2.02 H new ATOM 1195 N ILE A 393 94.318 3.941 -3.695 1.00 0.45 N ATOM 1196 CA ILE A 393 95.488 3.625 -2.825 1.00 0.45 C ATOM 1197 C ILE A 393 96.786 4.053 -3.510 1.00 0.50 C ATOM 1198 O ILE A 393 96.960 3.857 -4.694 1.00 0.60 O ATOM 1199 CB ILE A 393 95.446 2.107 -2.642 1.00 0.43 C ATOM 1200 CG1 ILE A 393 94.055 1.692 -2.159 1.00 1.21 C ATOM 1201 CG2 ILE A 393 96.497 1.691 -1.609 1.00 0.98 C ATOM 1202 CD1 ILE A 393 93.876 2.097 -0.695 1.00 1.68 C ATOM 0 H ILE A 393 94.395 3.631 -4.664 1.00 0.45 H new ATOM 0 HA ILE A 393 95.449 4.149 -1.870 1.00 0.45 H new ATOM 0 HB ILE A 393 95.659 1.617 -3.592 1.00 0.43 H new ATOM 0 HG12 ILE A 393 93.290 2.166 -2.774 1.00 1.21 H new ATOM 0 HG13 ILE A 393 93.928 0.615 -2.267 1.00 1.21 H new ATOM 0 HG21 ILE A 393 96.469 0.609 -1.477 1.00 0.98 H new ATOM 0 HG22 ILE A 393 97.486 1.989 -1.956 1.00 0.98 H new ATOM 0 HG23 ILE A 393 96.285 2.178 -0.657 1.00 0.98 H new ATOM 0 HD11 ILE A 393 92.884 1.800 -0.354 1.00 1.68 H new ATOM 0 HD12 ILE A 393 94.632 1.602 -0.086 1.00 1.68 H new ATOM 0 HD13 ILE A 393 93.984 3.178 -0.601 1.00 1.68 H new ATOM 1214 N ARG A 394 97.730 4.554 -2.761 1.00 0.63 N ATOM 1215 CA ARG A 394 99.048 4.898 -3.365 1.00 0.72 C ATOM 1216 C ARG A 394 100.191 4.544 -2.408 1.00 0.60 C ATOM 1217 O ARG A 394 100.110 4.760 -1.219 1.00 0.54 O ATOM 1218 CB ARG A 394 98.996 6.407 -3.606 1.00 0.78 C ATOM 1219 CG ARG A 394 97.960 6.715 -4.688 1.00 1.27 C ATOM 1220 CD ARG A 394 98.467 6.209 -6.039 1.00 1.04 C ATOM 1221 NE ARG A 394 97.470 6.697 -7.032 1.00 1.47 N ATOM 1222 CZ ARG A 394 97.796 6.807 -8.292 1.00 1.92 C ATOM 1223 NH1 ARG A 394 98.996 6.484 -8.695 1.00 2.78 N ATOM 1224 NH2 ARG A 394 96.917 7.241 -9.155 1.00 2.09 N ATOM 0 H ARG A 394 97.646 4.739 -1.761 1.00 0.63 H new ATOM 0 HA ARG A 394 99.230 4.344 -4.286 1.00 0.72 H new ATOM 0 HB2 ARG A 394 98.738 6.925 -2.682 1.00 0.78 H new ATOM 0 HB3 ARG A 394 99.977 6.771 -3.912 1.00 0.78 H new ATOM 0 HG2 ARG A 394 97.010 6.240 -4.443 1.00 1.27 H new ATOM 0 HG3 ARG A 394 97.776 7.788 -4.735 1.00 1.27 H new ATOM 0 HD2 ARG A 394 99.463 6.595 -6.257 1.00 1.04 H new ATOM 0 HD3 ARG A 394 98.537 5.121 -6.052 1.00 1.04 H new ATOM 0 HE ARG A 394 96.529 6.946 -6.727 1.00 1.47 H new ATOM 0 HH11 ARG A 394 99.685 6.144 -8.024 1.00 2.78 H new ATOM 0 HH12 ARG A 394 99.244 6.572 -9.680 1.00 2.78 H new ATOM 0 HH21 ARG A 394 95.979 7.493 -8.844 1.00 2.09 H new ATOM 0 HH22 ARG A 394 97.169 7.328 -10.140 1.00 2.09 H new ATOM 1238 N LYS A 395 101.281 4.068 -2.940 1.00 0.63 N ATOM 1239 CA LYS A 395 102.477 3.773 -2.100 1.00 0.58 C ATOM 1240 C LYS A 395 103.738 4.168 -2.869 1.00 0.60 C ATOM 1241 O LYS A 395 103.804 4.017 -4.068 1.00 0.68 O ATOM 1242 CB LYS A 395 102.443 2.261 -1.886 1.00 0.72 C ATOM 1243 CG LYS A 395 103.379 1.876 -0.740 1.00 0.80 C ATOM 1244 CD LYS A 395 104.767 1.584 -1.306 1.00 1.11 C ATOM 1245 CE LYS A 395 104.670 0.432 -2.307 1.00 1.15 C ATOM 1246 NZ LYS A 395 106.039 -0.144 -2.350 1.00 1.57 N ATOM 0 H LYS A 395 101.397 3.868 -3.933 1.00 0.63 H new ATOM 0 HA LYS A 395 102.477 4.317 -1.156 1.00 0.58 H new ATOM 0 HB2 LYS A 395 101.426 1.940 -1.660 1.00 0.72 H new ATOM 0 HB3 LYS A 395 102.743 1.749 -2.800 1.00 0.72 H new ATOM 0 HG2 LYS A 395 103.433 2.684 -0.010 1.00 0.80 H new ATOM 0 HG3 LYS A 395 102.994 1.000 -0.218 1.00 0.80 H new ATOM 0 HD2 LYS A 395 105.168 2.472 -1.794 1.00 1.11 H new ATOM 0 HD3 LYS A 395 105.454 1.325 -0.501 1.00 1.11 H new ATOM 0 HE2 LYS A 395 103.938 -0.310 -1.988 1.00 1.15 H new ATOM 0 HE3 LYS A 395 104.358 0.786 -3.290 1.00 1.15 H new ATOM 0 HZ1 LYS A 395 106.040 -0.994 -2.950 1.00 1.57 H new ATOM 0 HZ2 LYS A 395 106.699 0.558 -2.743 1.00 1.57 H new ATOM 0 HZ3 LYS A 395 106.338 -0.400 -1.387 1.00 1.57 H new ATOM 1260 N GLY A 396 104.726 4.695 -2.208 1.00 0.56 N ATOM 1261 CA GLY A 396 105.953 5.115 -2.949 1.00 0.60 C ATOM 1262 C GLY A 396 106.982 5.716 -1.995 1.00 0.55 C ATOM 1263 O GLY A 396 106.966 5.467 -0.808 1.00 0.82 O ATOM 0 H GLY A 396 104.743 4.854 -1.201 1.00 0.56 H new ATOM 0 HA2 GLY A 396 106.385 4.256 -3.463 1.00 0.60 H new ATOM 0 HA3 GLY A 396 105.689 5.845 -3.714 1.00 0.60 H new ATOM 1267 N SER A 397 107.911 6.473 -2.520 1.00 0.50 N ATOM 1268 CA SER A 397 108.979 7.046 -1.656 1.00 0.60 C ATOM 1269 C SER A 397 108.404 8.124 -0.739 1.00 0.48 C ATOM 1270 O SER A 397 107.323 8.634 -0.959 1.00 0.61 O ATOM 1271 CB SER A 397 110.017 7.629 -2.613 1.00 0.91 C ATOM 1272 OG SER A 397 110.477 6.607 -3.486 1.00 1.17 O ATOM 0 H SER A 397 107.974 6.717 -3.508 1.00 0.50 H new ATOM 0 HA SER A 397 109.423 6.293 -1.005 1.00 0.60 H new ATOM 0 HB2 SER A 397 109.580 8.445 -3.188 1.00 0.91 H new ATOM 0 HB3 SER A 397 110.853 8.047 -2.051 1.00 0.91 H new ATOM 0 HG SER A 397 111.444 6.494 -3.376 1.00 1.17 H new ATOM 1278 N VAL A 398 109.079 8.410 0.339 1.00 0.53 N ATOM 1279 CA VAL A 398 108.527 9.378 1.326 1.00 0.47 C ATOM 1280 C VAL A 398 108.334 10.742 0.672 1.00 0.51 C ATOM 1281 O VAL A 398 107.248 11.283 0.663 1.00 0.51 O ATOM 1282 CB VAL A 398 109.574 9.456 2.430 1.00 0.46 C ATOM 1283 CG1 VAL A 398 109.119 10.461 3.489 1.00 0.50 C ATOM 1284 CG2 VAL A 398 109.733 8.076 3.067 1.00 0.51 C ATOM 0 H VAL A 398 109.988 8.015 0.579 1.00 0.53 H new ATOM 0 HA VAL A 398 107.554 9.070 1.709 1.00 0.47 H new ATOM 0 HB VAL A 398 110.528 9.778 2.013 1.00 0.46 H new ATOM 0 HG11 VAL A 398 109.866 10.519 4.280 1.00 0.50 H new ATOM 0 HG12 VAL A 398 108.999 11.443 3.031 1.00 0.50 H new ATOM 0 HG13 VAL A 398 108.167 10.139 3.911 1.00 0.50 H new ATOM 0 HG21 VAL A 398 110.481 8.125 3.858 1.00 0.51 H new ATOM 0 HG22 VAL A 398 108.779 7.758 3.488 1.00 0.51 H new ATOM 0 HG23 VAL A 398 110.052 7.360 2.309 1.00 0.51 H new ATOM 1294 N ASP A 399 109.330 11.231 -0.009 1.00 0.55 N ATOM 1295 CA ASP A 399 109.129 12.470 -0.806 1.00 0.62 C ATOM 1296 C ASP A 399 108.029 12.222 -1.837 1.00 0.64 C ATOM 1297 O ASP A 399 107.204 13.071 -2.104 1.00 0.64 O ATOM 1298 CB ASP A 399 110.469 12.725 -1.495 1.00 0.71 C ATOM 1299 CG ASP A 399 111.524 13.080 -0.445 1.00 1.10 C ATOM 1300 OD1 ASP A 399 111.144 13.338 0.685 1.00 1.59 O ATOM 1301 OD2 ASP A 399 112.695 13.087 -0.789 1.00 1.46 O ATOM 0 H ASP A 399 110.267 10.830 -0.049 1.00 0.55 H new ATOM 0 HA ASP A 399 108.828 13.324 -0.199 1.00 0.62 H new ATOM 0 HB2 ASP A 399 110.778 11.840 -2.051 1.00 0.71 H new ATOM 0 HB3 ASP A 399 110.371 13.537 -2.216 1.00 0.71 H new ATOM 1306 N ALA A 400 108.002 11.046 -2.397 1.00 0.70 N ATOM 1307 CA ALA A 400 106.951 10.717 -3.398 1.00 0.76 C ATOM 1308 C ALA A 400 105.554 10.828 -2.774 1.00 0.72 C ATOM 1309 O ALA A 400 104.667 11.448 -3.327 1.00 0.75 O ATOM 1310 CB ALA A 400 107.249 9.271 -3.805 1.00 0.85 C ATOM 0 H ALA A 400 108.665 10.296 -2.204 1.00 0.70 H new ATOM 0 HA ALA A 400 106.961 11.398 -4.249 1.00 0.76 H new ATOM 0 HB1 ALA A 400 106.519 8.943 -4.545 1.00 0.85 H new ATOM 0 HB2 ALA A 400 108.250 9.212 -4.232 1.00 0.85 H new ATOM 0 HB3 ALA A 400 107.191 8.627 -2.928 1.00 0.85 H new ATOM 1316 N ILE A 401 105.323 10.190 -1.658 1.00 0.67 N ATOM 1317 CA ILE A 401 103.954 10.222 -1.064 1.00 0.66 C ATOM 1318 C ILE A 401 103.596 11.628 -0.573 1.00 0.59 C ATOM 1319 O ILE A 401 102.477 12.071 -0.713 1.00 0.64 O ATOM 1320 CB ILE A 401 103.997 9.233 0.102 1.00 0.64 C ATOM 1321 CG1 ILE A 401 104.361 7.839 -0.422 1.00 0.81 C ATOM 1322 CG2 ILE A 401 102.627 9.181 0.778 1.00 0.68 C ATOM 1323 CD1 ILE A 401 103.519 7.516 -1.658 1.00 0.62 C ATOM 0 H ILE A 401 106.015 9.653 -1.136 1.00 0.67 H new ATOM 0 HA ILE A 401 103.193 9.955 -1.797 1.00 0.66 H new ATOM 0 HB ILE A 401 104.747 9.557 0.824 1.00 0.64 H new ATOM 0 HG12 ILE A 401 105.421 7.799 -0.672 1.00 0.81 H new ATOM 0 HG13 ILE A 401 104.188 7.092 0.353 1.00 0.81 H new ATOM 0 HG21 ILE A 401 102.658 8.476 1.609 1.00 0.68 H new ATOM 0 HG22 ILE A 401 102.368 10.172 1.152 1.00 0.68 H new ATOM 0 HG23 ILE A 401 101.877 8.858 0.056 1.00 0.68 H new ATOM 0 HD11 ILE A 401 103.781 6.524 -2.028 1.00 0.62 H new ATOM 0 HD12 ILE A 401 102.462 7.537 -1.394 1.00 0.62 H new ATOM 0 HD13 ILE A 401 103.714 8.256 -2.435 1.00 0.62 H new ATOM 1335 N ARG A 402 104.532 12.343 -0.016 1.00 0.50 N ATOM 1336 CA ARG A 402 104.221 13.723 0.454 1.00 0.47 C ATOM 1337 C ARG A 402 103.729 14.580 -0.717 1.00 0.54 C ATOM 1338 O ARG A 402 102.773 15.318 -0.598 1.00 0.62 O ATOM 1339 CB ARG A 402 105.540 14.265 1.004 1.00 0.44 C ATOM 1340 CG ARG A 402 105.304 15.645 1.622 1.00 1.17 C ATOM 1341 CD ARG A 402 106.629 16.202 2.149 1.00 1.24 C ATOM 1342 NE ARG A 402 106.266 17.482 2.821 1.00 1.71 N ATOM 1343 CZ ARG A 402 107.122 18.077 3.608 1.00 2.17 C ATOM 1344 NH1 ARG A 402 108.303 17.554 3.813 1.00 2.62 N ATOM 1345 NH2 ARG A 402 106.798 19.197 4.193 1.00 2.61 N ATOM 0 H ARG A 402 105.493 12.035 0.134 1.00 0.50 H new ATOM 0 HA ARG A 402 103.434 13.735 1.208 1.00 0.47 H new ATOM 0 HB2 ARG A 402 105.942 13.583 1.753 1.00 0.44 H new ATOM 0 HB3 ARG A 402 106.279 14.333 0.206 1.00 0.44 H new ATOM 0 HG2 ARG A 402 104.883 16.321 0.878 1.00 1.17 H new ATOM 0 HG3 ARG A 402 104.579 15.573 2.433 1.00 1.17 H new ATOM 0 HD2 ARG A 402 107.099 15.509 2.847 1.00 1.24 H new ATOM 0 HD3 ARG A 402 107.338 16.369 1.338 1.00 1.24 H new ATOM 0 HE ARG A 402 105.346 17.895 2.666 1.00 1.71 H new ATOM 0 HH11 ARG A 402 108.559 16.678 3.357 1.00 2.62 H new ATOM 0 HH12 ARG A 402 108.968 18.022 4.428 1.00 2.62 H new ATOM 0 HH21 ARG A 402 105.877 19.607 4.036 1.00 2.61 H new ATOM 0 HH22 ARG A 402 107.465 19.663 4.808 1.00 2.61 H new ATOM 1359 N ARG A 403 104.353 14.463 -1.858 1.00 0.54 N ATOM 1360 CA ARG A 403 103.891 15.247 -3.040 1.00 0.62 C ATOM 1361 C ARG A 403 102.510 14.772 -3.502 1.00 0.72 C ATOM 1362 O ARG A 403 101.665 15.564 -3.867 1.00 0.82 O ATOM 1363 CB ARG A 403 104.937 14.994 -4.117 1.00 0.63 C ATOM 1364 CG ARG A 403 106.263 15.599 -3.668 1.00 0.83 C ATOM 1365 CD ARG A 403 107.136 15.848 -4.890 1.00 0.96 C ATOM 1366 NE ARG A 403 108.467 16.240 -4.345 1.00 1.38 N ATOM 1367 CZ ARG A 403 109.511 16.284 -5.129 1.00 2.01 C ATOM 1368 NH1 ARG A 403 109.397 15.988 -6.397 1.00 2.48 N ATOM 1369 NH2 ARG A 403 110.673 16.628 -4.644 1.00 2.46 N ATOM 0 H ARG A 403 105.160 13.861 -2.023 1.00 0.54 H new ATOM 0 HA ARG A 403 103.790 16.308 -2.811 1.00 0.62 H new ATOM 0 HB2 ARG A 403 105.050 13.924 -4.289 1.00 0.63 H new ATOM 0 HB3 ARG A 403 104.621 15.437 -5.061 1.00 0.63 H new ATOM 0 HG2 ARG A 403 106.088 16.533 -3.134 1.00 0.83 H new ATOM 0 HG3 ARG A 403 106.768 14.926 -2.976 1.00 0.83 H new ATOM 0 HD2 ARG A 403 107.212 14.954 -5.509 1.00 0.96 H new ATOM 0 HD3 ARG A 403 106.720 16.636 -5.518 1.00 0.96 H new ATOM 0 HE ARG A 403 108.563 16.475 -3.357 1.00 1.38 H new ATOM 0 HH11 ARG A 403 108.490 15.721 -6.779 1.00 2.48 H new ATOM 0 HH12 ARG A 403 110.215 16.024 -7.005 1.00 2.48 H new ATOM 0 HH21 ARG A 403 110.764 16.862 -3.655 1.00 2.46 H new ATOM 0 HH22 ARG A 403 111.490 16.663 -5.254 1.00 2.46 H new ATOM 1383 N HIS A 404 102.250 13.496 -3.435 1.00 0.74 N ATOM 1384 CA HIS A 404 100.897 12.998 -3.815 1.00 0.86 C ATOM 1385 C HIS A 404 99.828 13.559 -2.870 1.00 0.84 C ATOM 1386 O HIS A 404 98.765 13.968 -3.294 1.00 0.94 O ATOM 1387 CB HIS A 404 100.983 11.479 -3.692 1.00 0.92 C ATOM 1388 CG HIS A 404 99.658 10.874 -4.066 1.00 1.32 C ATOM 1389 ND1 HIS A 404 99.196 10.856 -5.372 1.00 1.39 N ATOM 1390 CD2 HIS A 404 98.679 10.271 -3.314 1.00 2.29 C ATOM 1391 CE1 HIS A 404 97.989 10.262 -5.368 1.00 1.88 C ATOM 1392 NE2 HIS A 404 97.626 9.887 -4.138 1.00 2.43 N ATOM 0 H HIS A 404 102.911 12.779 -3.135 1.00 0.74 H new ATOM 0 HA HIS A 404 100.615 13.310 -4.821 1.00 0.86 H new ATOM 0 HB2 HIS A 404 101.768 11.094 -4.343 1.00 0.92 H new ATOM 0 HB3 HIS A 404 101.248 11.200 -2.672 1.00 0.92 H new ATOM 0 HD2 HIS A 404 98.721 10.118 -2.246 1.00 2.29 H new ATOM 0 HE1 HIS A 404 97.387 10.107 -6.251 1.00 1.88 H new ATOM 0 HE2 HIS A 404 96.762 9.420 -3.862 1.00 2.43 H new ATOM 1400 N VAL A 405 100.114 13.626 -1.601 1.00 0.76 N ATOM 1401 CA VAL A 405 99.125 14.205 -0.650 1.00 0.79 C ATOM 1402 C VAL A 405 98.897 15.689 -0.953 1.00 0.85 C ATOM 1403 O VAL A 405 97.782 16.163 -0.959 1.00 0.94 O ATOM 1404 CB VAL A 405 99.748 14.025 0.735 1.00 0.76 C ATOM 1405 CG1 VAL A 405 98.849 14.673 1.789 1.00 0.80 C ATOM 1406 CG2 VAL A 405 99.895 12.531 1.037 1.00 0.76 C ATOM 0 H VAL A 405 100.987 13.306 -1.181 1.00 0.76 H new ATOM 0 HA VAL A 405 98.153 13.718 -0.723 1.00 0.79 H new ATOM 0 HB VAL A 405 100.729 14.499 0.756 1.00 0.76 H new ATOM 0 HG11 VAL A 405 99.294 14.544 2.776 1.00 0.80 H new ATOM 0 HG12 VAL A 405 98.745 15.736 1.574 1.00 0.80 H new ATOM 0 HG13 VAL A 405 97.867 14.201 1.769 1.00 0.80 H new ATOM 0 HG21 VAL A 405 100.339 12.401 2.024 1.00 0.76 H new ATOM 0 HG22 VAL A 405 98.914 12.057 1.015 1.00 0.76 H new ATOM 0 HG23 VAL A 405 100.537 12.070 0.287 1.00 0.76 H new ATOM 1416 N GLU A 406 99.942 16.435 -1.174 1.00 0.84 N ATOM 1417 CA GLU A 406 99.766 17.894 -1.430 1.00 0.95 C ATOM 1418 C GLU A 406 98.943 18.126 -2.704 1.00 1.05 C ATOM 1419 O GLU A 406 98.158 19.050 -2.783 1.00 1.19 O ATOM 1420 CB GLU A 406 101.184 18.440 -1.600 1.00 0.91 C ATOM 1421 CG GLU A 406 101.952 18.286 -0.285 1.00 0.88 C ATOM 1422 CD GLU A 406 103.348 18.893 -0.434 1.00 1.43 C ATOM 1423 OE1 GLU A 406 103.707 19.236 -1.549 1.00 2.16 O ATOM 1424 OE2 GLU A 406 104.033 19.006 0.569 1.00 1.86 O ATOM 0 H GLU A 406 100.906 16.102 -1.189 1.00 0.84 H new ATOM 0 HA GLU A 406 99.230 18.388 -0.620 1.00 0.95 H new ATOM 0 HB2 GLU A 406 101.698 17.905 -2.398 1.00 0.91 H new ATOM 0 HB3 GLU A 406 101.148 19.490 -1.892 1.00 0.91 H new ATOM 0 HG2 GLU A 406 101.413 18.781 0.523 1.00 0.88 H new ATOM 0 HG3 GLU A 406 102.029 17.232 -0.018 1.00 0.88 H new ATOM 1431 N ALA A 407 99.112 17.298 -3.700 1.00 1.02 N ATOM 1432 CA ALA A 407 98.329 17.481 -4.957 1.00 1.17 C ATOM 1433 C ALA A 407 96.845 17.241 -4.682 1.00 1.32 C ATOM 1434 O ALA A 407 96.000 18.038 -5.035 1.00 1.53 O ATOM 1435 CB ALA A 407 98.875 16.428 -5.922 1.00 1.12 C ATOM 0 H ALA A 407 99.755 16.506 -3.698 1.00 1.02 H new ATOM 0 HA ALA A 407 98.422 18.488 -5.364 1.00 1.17 H new ATOM 0 HB1 ALA A 407 98.348 16.498 -6.873 1.00 1.12 H new ATOM 0 HB2 ALA A 407 99.939 16.599 -6.083 1.00 1.12 H new ATOM 0 HB3 ALA A 407 98.728 15.435 -5.498 1.00 1.12 H new ATOM 1441 N ASN A 408 96.547 16.235 -3.912 1.00 1.23 N ATOM 1442 CA ASN A 408 95.151 16.036 -3.445 1.00 1.37 C ATOM 1443 C ASN A 408 94.767 17.179 -2.513 1.00 1.44 C ATOM 1444 O ASN A 408 93.607 17.474 -2.308 1.00 1.60 O ATOM 1445 CB ASN A 408 95.185 14.710 -2.691 1.00 1.27 C ATOM 1446 CG ASN A 408 95.352 13.560 -3.686 1.00 1.88 C ATOM 1447 OD1 ASN A 408 94.639 13.550 -4.779 1.00 2.75 O flip ATOM 1448 ND2 ASN A 408 96.141 12.661 -3.467 1.00 2.02 N flip ATOM 0 H ASN A 408 97.216 15.538 -3.584 1.00 1.23 H new ATOM 0 HA ASN A 408 94.423 16.021 -4.256 1.00 1.37 H new ATOM 0 HB2 ASN A 408 96.007 14.708 -1.975 1.00 1.27 H new ATOM 0 HB3 ASN A 408 94.265 14.580 -2.120 1.00 1.27 H new ATOM 0 HD21 ASN A 408 96.698 12.668 -2.613 1.00 2.02 H new ATOM 0 HD22 ASN A 408 96.245 11.899 -4.137 1.00 2.02 H new ATOM 1455 N GLY A 409 95.743 17.761 -1.878 1.00 1.37 N ATOM 1456 CA GLY A 409 95.465 18.816 -0.874 1.00 1.51 C ATOM 1457 C GLY A 409 95.451 18.194 0.521 1.00 1.69 C ATOM 1458 O GLY A 409 94.882 18.733 1.451 1.00 2.28 O ATOM 0 H GLY A 409 96.731 17.547 -2.015 1.00 1.37 H new ATOM 0 HA2 GLY A 409 96.224 19.596 -0.929 1.00 1.51 H new ATOM 0 HA3 GLY A 409 94.506 19.290 -1.083 1.00 1.51 H new ATOM 1462 N GLY A 410 96.103 17.074 0.681 1.00 1.39 N ATOM 1463 CA GLY A 410 96.166 16.427 2.023 1.00 1.72 C ATOM 1464 C GLY A 410 97.423 16.895 2.757 1.00 1.26 C ATOM 1465 O GLY A 410 98.148 17.747 2.282 1.00 1.69 O ATOM 0 H GLY A 410 96.596 16.578 -0.062 1.00 1.39 H new ATOM 0 HA2 GLY A 410 95.278 16.680 2.602 1.00 1.72 H new ATOM 0 HA3 GLY A 410 96.178 15.342 1.915 1.00 1.72 H new ATOM 1469 N HIS A 411 97.719 16.306 3.883 1.00 0.88 N ATOM 1470 CA HIS A 411 98.967 16.677 4.611 1.00 1.32 C ATOM 1471 C HIS A 411 99.652 15.423 5.162 1.00 1.27 C ATOM 1472 O HIS A 411 99.009 14.444 5.487 1.00 1.52 O ATOM 1473 CB HIS A 411 98.506 17.584 5.752 1.00 1.83 C ATOM 1474 CG HIS A 411 97.909 18.842 5.183 1.00 2.66 C ATOM 1475 ND1 HIS A 411 96.554 18.961 4.919 1.00 3.39 N ATOM 1476 CD2 HIS A 411 98.468 20.042 4.824 1.00 3.34 C ATOM 1477 CE1 HIS A 411 96.345 20.195 4.423 1.00 4.16 C ATOM 1478 NE2 HIS A 411 97.479 20.896 4.344 1.00 4.13 N ATOM 0 H HIS A 411 97.152 15.585 4.330 1.00 0.88 H new ATOM 0 HA HIS A 411 99.690 17.173 3.964 1.00 1.32 H new ATOM 0 HB2 HIS A 411 97.771 17.066 6.368 1.00 1.83 H new ATOM 0 HB3 HIS A 411 99.348 17.829 6.399 1.00 1.83 H new ATOM 0 HD2 HIS A 411 99.517 20.287 4.902 1.00 3.34 H new ATOM 0 HE1 HIS A 411 95.378 20.572 4.125 1.00 4.16 H new ATOM 0 HE2 HIS A 411 97.595 21.851 4.005 1.00 4.13 H new ATOM 1486 N PHE A 412 100.950 15.453 5.292 1.00 1.04 N ATOM 1487 CA PHE A 412 101.674 14.272 5.846 1.00 1.06 C ATOM 1488 C PHE A 412 101.804 14.405 7.369 1.00 1.03 C ATOM 1489 O PHE A 412 102.495 15.275 7.860 1.00 1.05 O ATOM 1490 CB PHE A 412 103.052 14.311 5.182 1.00 1.03 C ATOM 1491 CG PHE A 412 103.585 12.906 5.037 1.00 1.36 C ATOM 1492 CD1 PHE A 412 104.146 12.251 6.142 1.00 1.73 C ATOM 1493 CD2 PHE A 412 103.522 12.259 3.795 1.00 1.90 C ATOM 1494 CE1 PHE A 412 104.642 10.946 6.005 1.00 2.70 C ATOM 1495 CE2 PHE A 412 104.020 10.955 3.658 1.00 2.91 C ATOM 1496 CZ PHE A 412 104.579 10.299 4.763 1.00 3.31 C ATOM 0 H PHE A 412 101.542 16.244 5.039 1.00 1.04 H new ATOM 0 HA PHE A 412 101.155 13.334 5.651 1.00 1.06 H new ATOM 0 HB2 PHE A 412 102.982 14.787 4.204 1.00 1.03 H new ATOM 0 HB3 PHE A 412 103.738 14.911 5.780 1.00 1.03 H new ATOM 0 HD1 PHE A 412 104.196 12.751 7.098 1.00 1.73 H new ATOM 0 HD2 PHE A 412 103.090 12.764 2.944 1.00 1.90 H new ATOM 0 HE1 PHE A 412 105.072 10.440 6.856 1.00 2.70 H new ATOM 0 HE2 PHE A 412 103.973 10.457 2.701 1.00 2.91 H new ATOM 0 HZ PHE A 412 104.961 9.294 4.658 1.00 3.31 H new ATOM 1506 N PRO A 413 101.084 13.565 8.068 1.00 1.03 N ATOM 1507 CA PRO A 413 101.065 13.625 9.553 1.00 1.06 C ATOM 1508 C PRO A 413 102.480 13.461 10.119 1.00 0.96 C ATOM 1509 O PRO A 413 103.289 12.725 9.592 1.00 0.88 O ATOM 1510 CB PRO A 413 100.181 12.446 9.962 1.00 1.16 C ATOM 1511 CG PRO A 413 99.411 12.072 8.734 1.00 1.23 C ATOM 1512 CD PRO A 413 100.231 12.496 7.546 1.00 1.05 C ATOM 0 HA PRO A 413 100.694 14.578 9.929 1.00 1.06 H new ATOM 0 HB2 PRO A 413 100.783 11.609 10.316 1.00 1.16 H new ATOM 0 HB3 PRO A 413 99.510 12.723 10.775 1.00 1.16 H new ATOM 0 HG2 PRO A 413 99.225 10.998 8.709 1.00 1.23 H new ATOM 0 HG3 PRO A 413 98.439 12.564 8.725 1.00 1.23 H new ATOM 0 HD2 PRO A 413 100.823 11.669 7.154 1.00 1.05 H new ATOM 0 HD3 PRO A 413 99.600 12.851 6.731 1.00 1.05 H new ATOM 1520 N THR A 414 102.785 14.154 11.184 1.00 1.01 N ATOM 1521 CA THR A 414 104.151 14.050 11.775 1.00 0.97 C ATOM 1522 C THR A 414 104.445 12.605 12.189 1.00 0.92 C ATOM 1523 O THR A 414 105.524 12.099 11.979 1.00 0.84 O ATOM 1524 CB THR A 414 104.126 14.980 12.998 1.00 1.09 C ATOM 1525 OG1 THR A 414 105.456 15.350 13.332 1.00 1.63 O ATOM 1526 CG2 THR A 414 103.481 14.271 14.195 1.00 1.75 C ATOM 0 H THR A 414 102.149 14.786 11.669 1.00 1.01 H new ATOM 0 HA THR A 414 104.931 14.333 11.068 1.00 0.97 H new ATOM 0 HB THR A 414 103.541 15.867 12.756 1.00 1.09 H new ATOM 0 HG1 THR A 414 105.444 15.945 14.111 1.00 1.63 H new ATOM 0 HG21 THR A 414 103.471 14.943 15.053 1.00 1.75 H new ATOM 0 HG22 THR A 414 102.459 13.989 13.943 1.00 1.75 H new ATOM 0 HG23 THR A 414 104.054 13.377 14.441 1.00 1.75 H new ATOM 1534 N ASP A 415 103.507 11.958 12.825 1.00 0.99 N ATOM 1535 CA ASP A 415 103.760 10.569 13.304 1.00 0.97 C ATOM 1536 C ASP A 415 104.153 9.667 12.133 1.00 0.83 C ATOM 1537 O ASP A 415 105.011 8.821 12.250 1.00 0.84 O ATOM 1538 CB ASP A 415 102.437 10.114 13.917 1.00 1.08 C ATOM 1539 CG ASP A 415 102.161 10.920 15.187 1.00 1.27 C ATOM 1540 OD1 ASP A 415 103.063 11.606 15.637 1.00 1.87 O ATOM 1541 OD2 ASP A 415 101.053 10.836 15.690 1.00 1.80 O ATOM 0 H ASP A 415 102.580 12.329 13.033 1.00 0.99 H new ATOM 0 HA ASP A 415 104.577 10.523 14.024 1.00 0.97 H new ATOM 0 HB2 ASP A 415 101.626 10.252 13.202 1.00 1.08 H new ATOM 0 HB3 ASP A 415 102.479 9.050 14.150 1.00 1.08 H new ATOM 1546 N VAL A 416 103.583 9.874 10.985 1.00 0.71 N ATOM 1547 CA VAL A 416 103.998 9.062 9.811 1.00 0.60 C ATOM 1548 C VAL A 416 105.409 9.457 9.366 1.00 0.51 C ATOM 1549 O VAL A 416 106.209 8.621 9.002 1.00 0.46 O ATOM 1550 CB VAL A 416 102.971 9.385 8.728 1.00 0.58 C ATOM 1551 CG1 VAL A 416 103.404 8.762 7.399 1.00 0.51 C ATOM 1552 CG2 VAL A 416 101.611 8.817 9.135 1.00 0.71 C ATOM 0 H VAL A 416 102.853 10.564 10.807 1.00 0.71 H new ATOM 0 HA VAL A 416 104.030 7.995 10.032 1.00 0.60 H new ATOM 0 HB VAL A 416 102.899 10.466 8.611 1.00 0.58 H new ATOM 0 HG11 VAL A 416 102.667 8.996 6.630 1.00 0.51 H new ATOM 0 HG12 VAL A 416 104.374 9.165 7.107 1.00 0.51 H new ATOM 0 HG13 VAL A 416 103.480 7.680 7.512 1.00 0.51 H new ATOM 0 HG21 VAL A 416 100.876 9.046 8.364 1.00 0.71 H new ATOM 0 HG22 VAL A 416 101.689 7.736 9.253 1.00 0.71 H new ATOM 0 HG23 VAL A 416 101.298 9.263 10.079 1.00 0.71 H new ATOM 1562 N ASP A 417 105.747 10.714 9.458 1.00 0.53 N ATOM 1563 CA ASP A 417 107.136 11.132 9.108 1.00 0.53 C ATOM 1564 C ASP A 417 108.144 10.484 10.063 1.00 0.58 C ATOM 1565 O ASP A 417 109.165 9.974 9.649 1.00 0.60 O ATOM 1566 CB ASP A 417 107.146 12.652 9.262 1.00 0.61 C ATOM 1567 CG ASP A 417 108.466 13.211 8.728 1.00 1.03 C ATOM 1568 OD1 ASP A 417 109.232 12.439 8.175 1.00 1.15 O ATOM 1569 OD2 ASP A 417 108.689 14.401 8.880 1.00 1.81 O ATOM 0 H ASP A 417 105.127 11.466 9.758 1.00 0.53 H new ATOM 0 HA ASP A 417 107.416 10.825 8.100 1.00 0.53 H new ATOM 0 HB2 ASP A 417 106.308 13.089 8.719 1.00 0.61 H new ATOM 0 HB3 ASP A 417 107.022 12.923 10.311 1.00 0.61 H new ATOM 1574 N GLN A 418 107.853 10.468 11.334 1.00 0.62 N ATOM 1575 CA GLN A 418 108.784 9.820 12.300 1.00 0.68 C ATOM 1576 C GLN A 418 108.812 8.301 12.088 1.00 0.69 C ATOM 1577 O GLN A 418 109.855 7.689 12.149 1.00 0.81 O ATOM 1578 CB GLN A 418 108.250 10.185 13.690 1.00 0.73 C ATOM 1579 CG GLN A 418 106.820 9.678 13.849 1.00 1.31 C ATOM 1580 CD GLN A 418 106.378 9.846 15.304 1.00 1.86 C ATOM 1581 OE1 GLN A 418 106.672 10.847 15.929 1.00 1.96 O ATOM 1582 NE2 GLN A 418 105.678 8.904 15.874 1.00 2.60 N ATOM 0 H GLN A 418 107.013 10.875 11.745 1.00 0.62 H new ATOM 0 HA GLN A 418 109.811 10.161 12.171 1.00 0.68 H new ATOM 0 HB2 GLN A 418 108.887 9.749 14.459 1.00 0.73 H new ATOM 0 HB3 GLN A 418 108.279 11.266 13.827 1.00 0.73 H new ATOM 0 HG2 GLN A 418 106.151 10.230 13.189 1.00 1.31 H new ATOM 0 HG3 GLN A 418 106.760 8.629 13.558 1.00 1.31 H new ATOM 0 HE21 GLN A 418 105.431 8.064 15.350 1.00 2.60 H new ATOM 0 HE22 GLN A 418 105.378 9.007 16.843 1.00 2.60 H new ATOM 1591 N LYS A 419 107.700 7.690 11.777 1.00 0.61 N ATOM 1592 CA LYS A 419 107.730 6.225 11.497 1.00 0.63 C ATOM 1593 C LYS A 419 108.586 5.926 10.259 1.00 0.62 C ATOM 1594 O LYS A 419 109.328 4.969 10.226 1.00 0.71 O ATOM 1595 CB LYS A 419 106.272 5.832 11.252 1.00 0.57 C ATOM 1596 CG LYS A 419 105.498 5.896 12.570 1.00 0.81 C ATOM 1597 CD LYS A 419 104.056 5.441 12.339 1.00 0.93 C ATOM 1598 CE LYS A 419 103.255 5.608 13.632 1.00 1.33 C ATOM 1599 NZ LYS A 419 103.908 4.694 14.610 1.00 2.49 N ATOM 0 H LYS A 419 106.784 8.134 11.705 1.00 0.61 H new ATOM 0 HA LYS A 419 108.170 5.664 12.322 1.00 0.63 H new ATOM 0 HB2 LYS A 419 105.821 6.503 10.520 1.00 0.57 H new ATOM 0 HB3 LYS A 419 106.220 4.826 10.836 1.00 0.57 H new ATOM 0 HG2 LYS A 419 105.976 5.260 13.316 1.00 0.81 H new ATOM 0 HG3 LYS A 419 105.511 6.913 12.962 1.00 0.81 H new ATOM 0 HD2 LYS A 419 103.602 6.027 11.539 1.00 0.93 H new ATOM 0 HD3 LYS A 419 104.039 4.399 12.020 1.00 0.93 H new ATOM 0 HE2 LYS A 419 103.278 6.641 13.980 1.00 1.33 H new ATOM 0 HE3 LYS A 419 102.208 5.345 13.484 1.00 1.33 H new ATOM 0 HZ1 LYS A 419 103.226 4.434 15.351 1.00 2.49 H new ATOM 0 HZ2 LYS A 419 104.231 3.835 14.120 1.00 2.49 H new ATOM 0 HZ3 LYS A 419 104.723 5.173 15.042 1.00 2.49 H new ATOM 1613 N VAL A 420 108.518 6.760 9.258 1.00 0.56 N ATOM 1614 CA VAL A 420 109.351 6.539 8.037 1.00 0.62 C ATOM 1615 C VAL A 420 110.835 6.682 8.377 1.00 0.71 C ATOM 1616 O VAL A 420 111.677 5.963 7.878 1.00 0.79 O ATOM 1617 CB VAL A 420 108.934 7.648 7.073 1.00 0.60 C ATOM 1618 CG1 VAL A 420 109.816 7.594 5.829 1.00 0.70 C ATOM 1619 CG2 VAL A 420 107.469 7.464 6.671 1.00 0.59 C ATOM 0 H VAL A 420 107.921 7.587 9.231 1.00 0.56 H new ATOM 0 HA VAL A 420 109.207 5.544 7.617 1.00 0.62 H new ATOM 0 HB VAL A 420 109.051 8.615 7.563 1.00 0.60 H new ATOM 0 HG11 VAL A 420 109.521 8.384 5.139 1.00 0.70 H new ATOM 0 HG12 VAL A 420 110.858 7.733 6.116 1.00 0.70 H new ATOM 0 HG13 VAL A 420 109.700 6.626 5.342 1.00 0.70 H new ATOM 0 HG21 VAL A 420 107.178 8.258 5.983 1.00 0.59 H new ATOM 0 HG22 VAL A 420 107.344 6.497 6.183 1.00 0.59 H new ATOM 0 HG23 VAL A 420 106.840 7.505 7.560 1.00 0.59 H new ATOM 1629 N ASP A 421 111.156 7.644 9.188 1.00 0.72 N ATOM 1630 CA ASP A 421 112.580 7.898 9.541 1.00 0.84 C ATOM 1631 C ASP A 421 113.131 6.767 10.414 1.00 0.91 C ATOM 1632 O ASP A 421 114.219 6.274 10.193 1.00 1.00 O ATOM 1633 CB ASP A 421 112.545 9.212 10.315 1.00 0.88 C ATOM 1634 CG ASP A 421 112.276 10.367 9.349 1.00 1.14 C ATOM 1635 OD1 ASP A 421 112.296 10.130 8.152 1.00 1.25 O ATOM 1636 OD2 ASP A 421 112.055 11.470 9.822 1.00 2.05 O ATOM 0 H ASP A 421 110.486 8.275 9.628 1.00 0.72 H new ATOM 0 HA ASP A 421 113.226 7.948 8.665 1.00 0.84 H new ATOM 0 HB2 ASP A 421 111.769 9.175 11.080 1.00 0.88 H new ATOM 0 HB3 ASP A 421 113.493 9.368 10.830 1.00 0.88 H new ATOM 1641 N GLN A 422 112.366 6.318 11.365 1.00 0.89 N ATOM 1642 CA GLN A 422 112.815 5.178 12.210 1.00 0.98 C ATOM 1643 C GLN A 422 112.931 3.916 11.355 1.00 0.98 C ATOM 1644 O GLN A 422 113.843 3.133 11.510 1.00 1.07 O ATOM 1645 CB GLN A 422 111.731 5.025 13.276 1.00 0.99 C ATOM 1646 CG GLN A 422 111.643 6.313 14.102 1.00 1.32 C ATOM 1647 CD GLN A 422 110.546 6.167 15.160 1.00 1.77 C ATOM 1648 OE1 GLN A 422 109.709 5.292 15.066 1.00 2.33 O ATOM 1649 NE2 GLN A 422 110.515 6.994 16.169 1.00 2.33 N ATOM 0 H GLN A 422 111.445 6.692 11.596 1.00 0.89 H new ATOM 0 HA GLN A 422 113.794 5.345 12.659 1.00 0.98 H new ATOM 0 HB2 GLN A 422 110.770 4.815 12.806 1.00 0.99 H new ATOM 0 HB3 GLN A 422 111.960 4.179 13.924 1.00 0.99 H new ATOM 0 HG2 GLN A 422 112.601 6.516 14.581 1.00 1.32 H new ATOM 0 HG3 GLN A 422 111.426 7.160 13.452 1.00 1.32 H new ATOM 0 HE21 GLN A 422 111.218 7.729 16.248 1.00 2.33 H new ATOM 0 HE22 GLN A 422 109.788 6.906 16.879 1.00 2.33 H new ATOM 1658 N VAL A 423 112.115 3.801 10.349 1.00 0.91 N ATOM 1659 CA VAL A 423 112.298 2.698 9.375 1.00 0.94 C ATOM 1660 C VAL A 423 113.672 2.827 8.710 1.00 0.96 C ATOM 1661 O VAL A 423 114.367 1.853 8.498 1.00 1.00 O ATOM 1662 CB VAL A 423 111.184 2.913 8.361 1.00 0.92 C ATOM 1663 CG1 VAL A 423 111.311 1.900 7.224 1.00 0.95 C ATOM 1664 CG2 VAL A 423 109.829 2.746 9.047 1.00 0.99 C ATOM 0 H VAL A 423 111.330 4.424 10.160 1.00 0.91 H new ATOM 0 HA VAL A 423 112.256 1.708 9.828 1.00 0.94 H new ATOM 0 HB VAL A 423 111.263 3.920 7.952 1.00 0.92 H new ATOM 0 HG11 VAL A 423 110.510 2.061 6.502 1.00 0.95 H new ATOM 0 HG12 VAL A 423 112.275 2.026 6.730 1.00 0.95 H new ATOM 0 HG13 VAL A 423 111.239 0.890 7.627 1.00 0.95 H new ATOM 0 HG21 VAL A 423 109.032 2.900 8.320 1.00 0.99 H new ATOM 0 HG22 VAL A 423 109.753 1.741 9.462 1.00 0.99 H new ATOM 0 HG23 VAL A 423 109.735 3.478 9.849 1.00 0.99 H new ATOM 1674 N ALA A 424 114.068 4.029 8.388 1.00 0.98 N ATOM 1675 CA ALA A 424 115.398 4.235 7.744 1.00 1.07 C ATOM 1676 C ALA A 424 116.526 4.024 8.758 1.00 1.17 C ATOM 1677 O ALA A 424 117.461 3.287 8.515 1.00 1.24 O ATOM 1678 CB ALA A 424 115.380 5.687 7.271 1.00 1.09 C ATOM 0 H ALA A 424 113.527 4.879 8.543 1.00 0.98 H new ATOM 0 HA ALA A 424 115.571 3.533 6.928 1.00 1.07 H new ATOM 0 HB1 ALA A 424 116.326 5.923 6.783 1.00 1.09 H new ATOM 0 HB2 ALA A 424 114.562 5.829 6.564 1.00 1.09 H new ATOM 0 HB3 ALA A 424 115.239 6.347 8.127 1.00 1.09 H new ATOM 1684 N ARG A 425 116.475 4.709 9.869 1.00 1.23 N ATOM 1685 CA ARG A 425 117.578 4.590 10.866 1.00 1.39 C ATOM 1686 C ARG A 425 117.743 3.129 11.290 1.00 1.38 C ATOM 1687 O ARG A 425 118.768 2.731 11.808 1.00 1.53 O ATOM 1688 CB ARG A 425 117.147 5.464 12.050 1.00 1.57 C ATOM 1689 CG ARG A 425 116.139 4.715 12.927 1.00 2.17 C ATOM 1690 CD ARG A 425 115.644 5.642 14.041 1.00 2.43 C ATOM 1691 NE ARG A 425 116.873 6.051 14.774 1.00 2.68 N ATOM 1692 CZ ARG A 425 116.863 7.116 15.532 1.00 3.44 C ATOM 1693 NH1 ARG A 425 115.773 7.828 15.653 1.00 4.11 N ATOM 1694 NH2 ARG A 425 117.944 7.470 16.172 1.00 3.73 N ATOM 0 H ARG A 425 115.720 5.344 10.129 1.00 1.23 H new ATOM 0 HA ARG A 425 118.539 4.911 10.465 1.00 1.39 H new ATOM 0 HB2 ARG A 425 118.019 5.741 12.642 1.00 1.57 H new ATOM 0 HB3 ARG A 425 116.703 6.390 11.684 1.00 1.57 H new ATOM 0 HG2 ARG A 425 115.298 4.374 12.323 1.00 2.17 H new ATOM 0 HG3 ARG A 425 116.604 3.828 13.357 1.00 2.17 H new ATOM 0 HD2 ARG A 425 115.122 6.507 13.632 1.00 2.43 H new ATOM 0 HD3 ARG A 425 114.944 5.129 14.700 1.00 2.43 H new ATOM 0 HE ARG A 425 117.726 5.499 14.685 1.00 2.68 H new ATOM 0 HH11 ARG A 425 114.926 7.553 15.155 1.00 4.11 H new ATOM 0 HH12 ARG A 425 115.769 8.658 16.245 1.00 4.11 H new ATOM 0 HH21 ARG A 425 118.795 6.916 16.080 1.00 3.73 H new ATOM 0 HH22 ARG A 425 117.937 8.301 16.764 1.00 3.73 H new ATOM 1708 N GLN A 426 116.746 2.325 11.051 1.00 1.26 N ATOM 1709 CA GLN A 426 116.849 0.880 11.415 1.00 1.33 C ATOM 1710 C GLN A 426 117.425 0.071 10.252 1.00 1.26 C ATOM 1711 O GLN A 426 117.473 -1.143 10.293 1.00 1.33 O ATOM 1712 CB GLN A 426 115.420 0.446 11.726 1.00 1.34 C ATOM 1713 CG GLN A 426 114.952 1.151 12.997 1.00 1.95 C ATOM 1714 CD GLN A 426 113.465 0.870 13.224 1.00 2.42 C ATOM 1715 OE1 GLN A 426 112.770 0.451 12.320 1.00 2.68 O ATOM 1716 NE2 GLN A 426 112.945 1.083 14.401 1.00 2.92 N ATOM 0 H GLN A 426 115.864 2.603 10.620 1.00 1.26 H new ATOM 0 HA GLN A 426 117.515 0.717 12.262 1.00 1.33 H new ATOM 0 HB2 GLN A 426 114.762 0.694 10.894 1.00 1.34 H new ATOM 0 HB3 GLN A 426 115.375 -0.635 11.857 1.00 1.34 H new ATOM 0 HG2 GLN A 426 115.532 0.804 13.852 1.00 1.95 H new ATOM 0 HG3 GLN A 426 115.120 2.225 12.912 1.00 1.95 H new ATOM 0 HE21 GLN A 426 113.528 1.435 15.160 1.00 2.92 H new ATOM 0 HE22 GLN A 426 111.955 0.898 14.562 1.00 2.92 H new ATOM 1725 N GLY A 427 117.932 0.734 9.254 1.00 1.16 N ATOM 1726 CA GLY A 427 118.588 0.003 8.131 1.00 1.14 C ATOM 1727 C GLY A 427 117.524 -0.545 7.179 1.00 1.07 C ATOM 1728 O GLY A 427 117.711 -1.561 6.541 1.00 1.11 O ATOM 0 H GLY A 427 117.922 1.750 9.164 1.00 1.16 H new ATOM 0 HA2 GLY A 427 119.261 0.671 7.593 1.00 1.14 H new ATOM 0 HA3 GLY A 427 119.195 -0.814 8.522 1.00 1.14 H new ATOM 1732 N ALA A 428 116.429 0.148 7.043 1.00 1.07 N ATOM 1733 CA ALA A 428 115.373 -0.299 6.089 1.00 1.00 C ATOM 1734 C ALA A 428 114.955 0.867 5.196 1.00 0.94 C ATOM 1735 O ALA A 428 115.016 2.013 5.591 1.00 0.97 O ATOM 1736 CB ALA A 428 114.207 -0.744 6.971 1.00 1.04 C ATOM 0 H ALA A 428 116.218 1.007 7.552 1.00 1.07 H new ATOM 0 HA ALA A 428 115.714 -1.100 5.433 1.00 1.00 H new ATOM 0 HB1 ALA A 428 113.386 -1.089 6.342 1.00 1.04 H new ATOM 0 HB2 ALA A 428 114.532 -1.556 7.621 1.00 1.04 H new ATOM 0 HB3 ALA A 428 113.870 0.095 7.580 1.00 1.04 H new ATOM 1742 N THR A 429 114.439 0.580 4.035 1.00 0.92 N ATOM 1743 CA THR A 429 113.907 1.671 3.171 1.00 0.88 C ATOM 1744 C THR A 429 112.414 1.837 3.432 1.00 0.65 C ATOM 1745 O THR A 429 111.631 0.971 3.100 1.00 0.62 O ATOM 1746 CB THR A 429 114.147 1.209 1.731 1.00 1.00 C ATOM 1747 OG1 THR A 429 115.519 1.380 1.403 1.00 1.21 O ATOM 1748 CG2 THR A 429 113.284 2.037 0.772 1.00 1.00 C ATOM 0 H THR A 429 114.362 -0.360 3.647 1.00 0.92 H new ATOM 0 HA THR A 429 114.389 2.629 3.367 1.00 0.88 H new ATOM 0 HB THR A 429 113.878 0.157 1.639 1.00 1.00 H new ATOM 0 HG1 THR A 429 115.675 1.083 0.482 1.00 1.21 H new ATOM 0 HG21 THR A 429 113.457 1.706 -0.252 1.00 1.00 H new ATOM 0 HG22 THR A 429 112.232 1.905 1.023 1.00 1.00 H new ATOM 0 HG23 THR A 429 113.549 3.091 0.862 1.00 1.00 H new ATOM 1756 N PRO A 430 112.073 2.920 4.068 1.00 0.70 N ATOM 1757 CA PRO A 430 110.664 3.173 4.430 1.00 0.55 C ATOM 1758 C PRO A 430 109.873 3.625 3.201 1.00 0.54 C ATOM 1759 O PRO A 430 109.875 4.790 2.856 1.00 0.68 O ATOM 1760 CB PRO A 430 110.740 4.301 5.466 1.00 0.81 C ATOM 1761 CG PRO A 430 112.203 4.567 5.693 1.00 1.20 C ATOM 1762 CD PRO A 430 112.946 3.998 4.519 1.00 1.04 C ATOM 0 HA PRO A 430 110.162 2.286 4.815 1.00 0.55 H new ATOM 0 HB2 PRO A 430 110.234 5.196 5.104 1.00 0.81 H new ATOM 0 HB3 PRO A 430 110.249 4.010 6.395 1.00 0.81 H new ATOM 0 HG2 PRO A 430 112.390 5.637 5.784 1.00 1.20 H new ATOM 0 HG3 PRO A 430 112.538 4.105 6.621 1.00 1.20 H new ATOM 0 HD2 PRO A 430 113.101 4.744 3.740 1.00 1.04 H new ATOM 0 HD3 PRO A 430 113.930 3.627 4.806 1.00 1.04 H new ATOM 1770 N LEU A 431 109.002 2.787 2.711 1.00 0.47 N ATOM 1771 CA LEU A 431 108.004 3.275 1.724 1.00 0.56 C ATOM 1772 C LEU A 431 106.767 3.747 2.474 1.00 0.54 C ATOM 1773 O LEU A 431 106.417 3.208 3.497 1.00 0.59 O ATOM 1774 CB LEU A 431 107.652 2.073 0.849 1.00 0.59 C ATOM 1775 CG LEU A 431 108.887 1.597 0.094 1.00 0.59 C ATOM 1776 CD1 LEU A 431 108.525 0.356 -0.721 1.00 1.14 C ATOM 1777 CD2 LEU A 431 109.360 2.702 -0.854 1.00 1.40 C ATOM 0 H LEU A 431 108.939 1.797 2.949 1.00 0.47 H new ATOM 0 HA LEU A 431 108.386 4.101 1.124 1.00 0.56 H new ATOM 0 HB2 LEU A 431 107.260 1.265 1.467 1.00 0.59 H new ATOM 0 HB3 LEU A 431 106.867 2.344 0.143 1.00 0.59 H new ATOM 0 HG LEU A 431 109.681 1.358 0.801 1.00 0.59 H new ATOM 0 HD11 LEU A 431 109.404 0.009 -1.265 1.00 1.14 H new ATOM 0 HD12 LEU A 431 108.178 -0.431 -0.051 1.00 1.14 H new ATOM 0 HD13 LEU A 431 107.735 0.604 -1.429 1.00 1.14 H new ATOM 0 HD21 LEU A 431 110.244 2.364 -1.395 1.00 1.40 H new ATOM 0 HD22 LEU A 431 108.567 2.936 -1.564 1.00 1.40 H new ATOM 0 HD23 LEU A 431 109.607 3.594 -0.278 1.00 1.40 H new ATOM 1789 N VAL A 432 106.125 4.770 2.013 1.00 0.49 N ATOM 1790 CA VAL A 432 104.944 5.280 2.758 1.00 0.48 C ATOM 1791 C VAL A 432 103.662 4.967 1.989 1.00 0.48 C ATOM 1792 O VAL A 432 103.616 5.061 0.778 1.00 0.52 O ATOM 1793 CB VAL A 432 105.161 6.786 2.871 1.00 0.43 C ATOM 1794 CG1 VAL A 432 104.000 7.415 3.644 1.00 0.45 C ATOM 1795 CG2 VAL A 432 106.471 7.057 3.613 1.00 0.51 C ATOM 0 H VAL A 432 106.360 5.276 1.159 1.00 0.49 H new ATOM 0 HA VAL A 432 104.841 4.817 3.739 1.00 0.48 H new ATOM 0 HB VAL A 432 105.210 7.221 1.873 1.00 0.43 H new ATOM 0 HG11 VAL A 432 104.156 8.491 3.724 1.00 0.45 H new ATOM 0 HG12 VAL A 432 103.065 7.222 3.117 1.00 0.45 H new ATOM 0 HG13 VAL A 432 103.950 6.981 4.642 1.00 0.45 H new ATOM 0 HG21 VAL A 432 106.627 8.133 3.694 1.00 0.51 H new ATOM 0 HG22 VAL A 432 106.421 6.621 4.611 1.00 0.51 H new ATOM 0 HG23 VAL A 432 107.300 6.611 3.063 1.00 0.51 H new ATOM 1805 N VAL A 433 102.640 4.550 2.682 1.00 0.44 N ATOM 1806 CA VAL A 433 101.369 4.176 2.001 1.00 0.45 C ATOM 1807 C VAL A 433 100.250 5.120 2.437 1.00 0.37 C ATOM 1808 O VAL A 433 100.093 5.410 3.608 1.00 0.37 O ATOM 1809 CB VAL A 433 101.077 2.750 2.464 1.00 0.56 C ATOM 1810 CG1 VAL A 433 99.854 2.211 1.721 1.00 0.59 C ATOM 1811 CG2 VAL A 433 102.285 1.860 2.168 1.00 1.08 C ATOM 0 H VAL A 433 102.630 4.451 3.697 1.00 0.44 H new ATOM 0 HA VAL A 433 101.442 4.243 0.916 1.00 0.45 H new ATOM 0 HB VAL A 433 100.879 2.751 3.536 1.00 0.56 H new ATOM 0 HG11 VAL A 433 99.646 1.193 2.052 1.00 0.59 H new ATOM 0 HG12 VAL A 433 98.992 2.844 1.932 1.00 0.59 H new ATOM 0 HG13 VAL A 433 100.051 2.211 0.649 1.00 0.59 H new ATOM 0 HG21 VAL A 433 102.077 0.842 2.498 1.00 1.08 H new ATOM 0 HG22 VAL A 433 102.483 1.860 1.096 1.00 1.08 H new ATOM 0 HG23 VAL A 433 103.157 2.242 2.698 1.00 1.08 H new ATOM 1821 N VAL A 434 99.448 5.564 1.509 1.00 0.43 N ATOM 1822 CA VAL A 434 98.309 6.452 1.868 1.00 0.43 C ATOM 1823 C VAL A 434 97.013 5.918 1.258 1.00 0.48 C ATOM 1824 O VAL A 434 97.020 5.313 0.205 1.00 0.90 O ATOM 1825 CB VAL A 434 98.659 7.825 1.274 1.00 0.53 C ATOM 1826 CG1 VAL A 434 100.129 8.143 1.543 1.00 0.70 C ATOM 1827 CG2 VAL A 434 98.403 7.824 -0.237 1.00 0.49 C ATOM 0 H VAL A 434 99.533 5.349 0.516 1.00 0.43 H new ATOM 0 HA VAL A 434 98.156 6.507 2.946 1.00 0.43 H new ATOM 0 HB VAL A 434 98.032 8.584 1.742 1.00 0.53 H new ATOM 0 HG11 VAL A 434 100.374 9.117 1.120 1.00 0.70 H new ATOM 0 HG12 VAL A 434 100.307 8.159 2.618 1.00 0.70 H new ATOM 0 HG13 VAL A 434 100.757 7.380 1.083 1.00 0.70 H new ATOM 0 HG21 VAL A 434 98.654 8.801 -0.649 1.00 0.49 H new ATOM 0 HG22 VAL A 434 99.021 7.061 -0.710 1.00 0.49 H new ATOM 0 HG23 VAL A 434 97.352 7.609 -0.428 1.00 0.49 H new ATOM 1837 N GLU A 435 95.905 6.366 1.769 1.00 0.61 N ATOM 1838 CA GLU A 435 94.619 6.141 1.058 1.00 0.60 C ATOM 1839 C GLU A 435 94.043 7.488 0.644 1.00 0.62 C ATOM 1840 O GLU A 435 93.986 8.414 1.429 1.00 0.67 O ATOM 1841 CB GLU A 435 93.709 5.450 2.069 1.00 0.70 C ATOM 1842 CG GLU A 435 93.664 3.957 1.765 1.00 0.76 C ATOM 1843 CD GLU A 435 92.730 3.259 2.754 1.00 1.13 C ATOM 1844 OE1 GLU A 435 92.274 3.918 3.675 1.00 1.79 O ATOM 1845 OE2 GLU A 435 92.485 2.076 2.575 1.00 1.34 O ATOM 0 H GLU A 435 95.833 6.878 2.648 1.00 0.61 H new ATOM 0 HA GLU A 435 94.733 5.537 0.158 1.00 0.60 H new ATOM 0 HB2 GLU A 435 94.078 5.616 3.081 1.00 0.70 H new ATOM 0 HB3 GLU A 435 92.706 5.873 2.022 1.00 0.70 H new ATOM 0 HG2 GLU A 435 93.317 3.794 0.745 1.00 0.76 H new ATOM 0 HG3 GLU A 435 94.665 3.532 1.833 1.00 0.76 H new ATOM 1852 N GLY A 436 93.762 7.656 -0.614 1.00 0.61 N ATOM 1853 CA GLY A 436 93.365 9.005 -1.091 1.00 0.64 C ATOM 1854 C GLY A 436 94.559 9.954 -0.949 1.00 0.68 C ATOM 1855 O GLY A 436 95.518 9.875 -1.690 1.00 1.42 O ATOM 0 H GLY A 436 93.789 6.926 -1.326 1.00 0.61 H new ATOM 0 HA2 GLY A 436 93.043 8.957 -2.131 1.00 0.64 H new ATOM 0 HA3 GLY A 436 92.519 9.375 -0.512 1.00 0.64 H new ATOM 1859 N SER A 437 94.485 10.880 -0.031 1.00 0.84 N ATOM 1860 CA SER A 437 95.589 11.870 0.126 1.00 0.81 C ATOM 1861 C SER A 437 96.192 11.801 1.536 1.00 0.83 C ATOM 1862 O SER A 437 96.939 12.672 1.937 1.00 1.35 O ATOM 1863 CB SER A 437 94.930 13.227 -0.103 1.00 0.80 C ATOM 1864 OG SER A 437 94.232 13.613 1.074 1.00 1.42 O ATOM 0 H SER A 437 93.706 10.994 0.618 1.00 0.84 H new ATOM 0 HA SER A 437 96.407 11.681 -0.570 1.00 0.81 H new ATOM 0 HB2 SER A 437 95.684 13.973 -0.354 1.00 0.80 H new ATOM 0 HB3 SER A 437 94.242 13.173 -0.947 1.00 0.80 H new ATOM 0 HG SER A 437 93.808 14.485 0.932 1.00 1.42 H new ATOM 1870 N ARG A 438 95.846 10.805 2.309 1.00 0.53 N ATOM 1871 CA ARG A 438 96.376 10.737 3.703 1.00 0.62 C ATOM 1872 C ARG A 438 97.175 9.444 3.903 1.00 0.65 C ATOM 1873 O ARG A 438 96.825 8.402 3.388 1.00 0.69 O ATOM 1874 CB ARG A 438 95.137 10.749 4.597 1.00 0.78 C ATOM 1875 CG ARG A 438 94.467 9.377 4.554 1.00 1.34 C ATOM 1876 CD ARG A 438 93.056 9.476 5.134 1.00 1.53 C ATOM 1877 NE ARG A 438 92.556 8.073 5.170 1.00 2.25 N ATOM 1878 CZ ARG A 438 92.979 7.248 6.091 1.00 2.95 C ATOM 1879 NH1 ARG A 438 93.842 7.646 6.987 1.00 3.49 N ATOM 1880 NH2 ARG A 438 92.537 6.020 6.115 1.00 3.52 N ATOM 0 H ARG A 438 95.225 10.042 2.039 1.00 0.53 H new ATOM 0 HA ARG A 438 97.050 11.563 3.931 1.00 0.62 H new ATOM 0 HB2 ARG A 438 95.416 10.998 5.621 1.00 0.78 H new ATOM 0 HB3 ARG A 438 94.440 11.517 4.261 1.00 0.78 H new ATOM 0 HG2 ARG A 438 94.424 9.014 3.527 1.00 1.34 H new ATOM 0 HG3 ARG A 438 95.055 8.656 5.122 1.00 1.34 H new ATOM 0 HD2 ARG A 438 93.069 9.916 6.131 1.00 1.53 H new ATOM 0 HD3 ARG A 438 92.418 10.107 4.515 1.00 1.53 H new ATOM 0 HE ARG A 438 91.882 7.755 4.474 1.00 2.25 H new ATOM 0 HH11 ARG A 438 94.189 8.605 6.970 1.00 3.49 H new ATOM 0 HH12 ARG A 438 94.169 6.998 7.704 1.00 3.49 H new ATOM 0 HH21 ARG A 438 91.863 5.707 5.416 1.00 3.52 H new ATOM 0 HH22 ARG A 438 92.865 5.374 6.833 1.00 3.52 H new ATOM 1894 N VAL A 439 98.258 9.515 4.622 1.00 0.67 N ATOM 1895 CA VAL A 439 99.108 8.305 4.817 1.00 0.74 C ATOM 1896 C VAL A 439 98.512 7.394 5.891 1.00 0.93 C ATOM 1897 O VAL A 439 98.243 7.816 6.998 1.00 1.41 O ATOM 1898 CB VAL A 439 100.463 8.847 5.270 1.00 0.89 C ATOM 1899 CG1 VAL A 439 101.461 7.693 5.392 1.00 0.99 C ATOM 1900 CG2 VAL A 439 100.977 9.857 4.240 1.00 0.86 C ATOM 0 H VAL A 439 98.594 10.360 5.085 1.00 0.67 H new ATOM 0 HA VAL A 439 99.184 7.708 3.908 1.00 0.74 H new ATOM 0 HB VAL A 439 100.353 9.336 6.238 1.00 0.89 H new ATOM 0 HG11 VAL A 439 102.427 8.080 5.715 1.00 0.99 H new ATOM 0 HG12 VAL A 439 101.096 6.972 6.124 1.00 0.99 H new ATOM 0 HG13 VAL A 439 101.571 7.204 4.424 1.00 0.99 H new ATOM 0 HG21 VAL A 439 101.944 10.245 4.562 1.00 0.86 H new ATOM 0 HG22 VAL A 439 101.086 9.367 3.273 1.00 0.86 H new ATOM 0 HG23 VAL A 439 100.267 10.680 4.152 1.00 0.86 H new ATOM 1910 N LEU A 440 98.332 6.138 5.583 1.00 0.79 N ATOM 1911 CA LEU A 440 97.785 5.197 6.600 1.00 1.07 C ATOM 1912 C LEU A 440 98.920 4.567 7.414 1.00 0.74 C ATOM 1913 O LEU A 440 98.733 4.183 8.548 1.00 0.88 O ATOM 1914 CB LEU A 440 97.027 4.127 5.811 1.00 1.60 C ATOM 1915 CG LEU A 440 97.914 3.574 4.696 1.00 1.48 C ATOM 1916 CD1 LEU A 440 97.856 2.048 4.712 1.00 1.79 C ATOM 1917 CD2 LEU A 440 97.405 4.085 3.349 1.00 1.57 C ATOM 0 H LEU A 440 98.540 5.725 4.674 1.00 0.79 H new ATOM 0 HA LEU A 440 97.133 5.706 7.310 1.00 1.07 H new ATOM 0 HB2 LEU A 440 96.721 3.321 6.477 1.00 1.60 H new ATOM 0 HB3 LEU A 440 96.118 4.552 5.386 1.00 1.60 H new ATOM 0 HG LEU A 440 98.942 3.901 4.849 1.00 1.48 H new ATOM 0 HD11 LEU A 440 98.488 1.652 3.917 1.00 1.79 H new ATOM 0 HD12 LEU A 440 98.210 1.681 5.675 1.00 1.79 H new ATOM 0 HD13 LEU A 440 96.828 1.721 4.555 1.00 1.79 H new ATOM 0 HD21 LEU A 440 98.034 3.693 2.550 1.00 1.57 H new ATOM 0 HD22 LEU A 440 96.378 3.752 3.198 1.00 1.57 H new ATOM 0 HD23 LEU A 440 97.439 5.174 3.337 1.00 1.57 H new ATOM 1929 N GLY A 441 100.099 4.464 6.854 1.00 0.64 N ATOM 1930 CA GLY A 441 101.224 3.863 7.634 1.00 1.02 C ATOM 1931 C GLY A 441 102.511 3.839 6.803 1.00 0.82 C ATOM 1932 O GLY A 441 102.547 4.287 5.678 1.00 0.96 O ATOM 0 H GLY A 441 100.330 4.764 5.907 1.00 0.64 H new ATOM 0 HA2 GLY A 441 101.386 4.436 8.547 1.00 1.02 H new ATOM 0 HA3 GLY A 441 100.962 2.849 7.936 1.00 1.02 H new ATOM 1936 N VAL A 442 103.570 3.312 7.363 1.00 0.56 N ATOM 1937 CA VAL A 442 104.867 3.249 6.628 1.00 0.44 C ATOM 1938 C VAL A 442 105.312 1.788 6.479 1.00 0.41 C ATOM 1939 O VAL A 442 104.951 0.936 7.267 1.00 0.41 O ATOM 1940 CB VAL A 442 105.854 4.012 7.508 1.00 0.42 C ATOM 1941 CG1 VAL A 442 107.200 4.106 6.792 1.00 0.44 C ATOM 1942 CG2 VAL A 442 105.314 5.418 7.777 1.00 0.57 C ATOM 0 H VAL A 442 103.591 2.920 8.305 1.00 0.56 H new ATOM 0 HA VAL A 442 104.798 3.672 5.626 1.00 0.44 H new ATOM 0 HB VAL A 442 105.983 3.488 8.455 1.00 0.42 H new ATOM 0 HG11 VAL A 442 107.908 4.650 7.417 1.00 0.44 H new ATOM 0 HG12 VAL A 442 107.581 3.103 6.601 1.00 0.44 H new ATOM 0 HG13 VAL A 442 107.073 4.632 5.846 1.00 0.44 H new ATOM 0 HG21 VAL A 442 106.018 5.964 8.405 1.00 0.57 H new ATOM 0 HG22 VAL A 442 105.186 5.946 6.832 1.00 0.57 H new ATOM 0 HG23 VAL A 442 104.353 5.347 8.286 1.00 0.57 H new ATOM 1952 N ILE A 443 106.118 1.498 5.495 1.00 0.42 N ATOM 1953 CA ILE A 443 106.616 0.098 5.318 1.00 0.43 C ATOM 1954 C ILE A 443 108.146 0.081 5.297 1.00 0.44 C ATOM 1955 O ILE A 443 108.773 0.780 4.536 1.00 0.51 O ATOM 1956 CB ILE A 443 106.072 -0.361 3.967 1.00 0.47 C ATOM 1957 CG1 ILE A 443 104.590 0.002 3.854 1.00 0.51 C ATOM 1958 CG2 ILE A 443 106.233 -1.878 3.837 1.00 0.56 C ATOM 1959 CD1 ILE A 443 103.812 -0.643 5.002 1.00 1.05 C ATOM 0 H ILE A 443 106.455 2.168 4.804 1.00 0.42 H new ATOM 0 HA ILE A 443 106.292 -0.552 6.131 1.00 0.43 H new ATOM 0 HB ILE A 443 106.628 0.135 3.172 1.00 0.47 H new ATOM 0 HG12 ILE A 443 104.468 1.085 3.882 1.00 0.51 H new ATOM 0 HG13 ILE A 443 104.194 -0.339 2.897 1.00 0.51 H new ATOM 0 HG21 ILE A 443 105.844 -2.204 2.872 1.00 0.56 H new ATOM 0 HG22 ILE A 443 107.289 -2.139 3.910 1.00 0.56 H new ATOM 0 HG23 ILE A 443 105.681 -2.372 4.636 1.00 0.56 H new ATOM 0 HD11 ILE A 443 102.757 -0.382 4.918 1.00 1.05 H new ATOM 0 HD12 ILE A 443 103.923 -1.726 4.953 1.00 1.05 H new ATOM 0 HD13 ILE A 443 104.201 -0.281 5.954 1.00 1.05 H new ATOM 1971 N ALA A 444 108.744 -0.706 6.138 1.00 0.40 N ATOM 1972 CA ALA A 444 110.233 -0.763 6.185 1.00 0.44 C ATOM 1973 C ALA A 444 110.741 -1.992 5.431 1.00 0.43 C ATOM 1974 O ALA A 444 110.372 -3.108 5.733 1.00 0.45 O ATOM 1975 CB ALA A 444 110.571 -0.878 7.672 1.00 0.46 C ATOM 0 H ALA A 444 108.267 -1.317 6.800 1.00 0.40 H new ATOM 0 HA ALA A 444 110.695 0.109 5.721 1.00 0.44 H new ATOM 0 HB1 ALA A 444 111.653 -0.926 7.797 1.00 0.46 H new ATOM 0 HB2 ALA A 444 110.183 -0.008 8.202 1.00 0.46 H new ATOM 0 HB3 ALA A 444 110.119 -1.782 8.079 1.00 0.46 H new ATOM 1981 N LEU A 445 111.573 -1.803 4.444 1.00 0.57 N ATOM 1982 CA LEU A 445 112.087 -2.970 3.672 1.00 0.63 C ATOM 1983 C LEU A 445 113.495 -3.336 4.145 1.00 0.75 C ATOM 1984 O LEU A 445 114.353 -2.483 4.262 1.00 0.92 O ATOM 1985 CB LEU A 445 112.132 -2.503 2.218 1.00 0.81 C ATOM 1986 CG LEU A 445 110.736 -2.568 1.591 1.00 1.23 C ATOM 1987 CD1 LEU A 445 109.697 -2.005 2.563 1.00 2.11 C ATOM 1988 CD2 LEU A 445 110.725 -1.739 0.304 1.00 1.91 C ATOM 0 H LEU A 445 111.919 -0.893 4.139 1.00 0.57 H new ATOM 0 HA LEU A 445 111.459 -3.851 3.801 1.00 0.63 H new ATOM 0 HB2 LEU A 445 112.512 -1.483 2.169 1.00 0.81 H new ATOM 0 HB3 LEU A 445 112.822 -3.128 1.650 1.00 0.81 H new ATOM 0 HG LEU A 445 110.490 -3.606 1.369 1.00 1.23 H new ATOM 0 HD11 LEU A 445 108.708 -2.056 2.108 1.00 2.11 H new ATOM 0 HD12 LEU A 445 109.704 -2.591 3.482 1.00 2.11 H new ATOM 0 HD13 LEU A 445 109.938 -0.967 2.792 1.00 2.11 H new ATOM 0 HD21 LEU A 445 109.734 -1.781 -0.147 1.00 1.91 H new ATOM 0 HD22 LEU A 445 110.974 -0.704 0.536 1.00 1.91 H new ATOM 0 HD23 LEU A 445 111.459 -2.141 -0.394 1.00 1.91 H new ATOM 2000 N LYS A 446 113.780 -4.602 4.260 1.00 0.89 N ATOM 2001 CA LYS A 446 115.176 -5.029 4.543 1.00 1.15 C ATOM 2002 C LYS A 446 115.958 -5.119 3.233 1.00 1.27 C ATOM 2003 O LYS A 446 115.404 -5.400 2.190 1.00 1.87 O ATOM 2004 CB LYS A 446 115.036 -6.407 5.179 1.00 1.92 C ATOM 2005 CG LYS A 446 116.389 -6.865 5.721 1.00 2.25 C ATOM 2006 CD LYS A 446 116.245 -8.276 6.285 1.00 2.85 C ATOM 2007 CE LYS A 446 117.549 -8.690 6.971 1.00 3.64 C ATOM 2008 NZ LYS A 446 117.512 -8.022 8.301 1.00 4.48 N ATOM 0 H LYS A 446 113.104 -5.361 4.170 1.00 0.89 H new ATOM 0 HA LYS A 446 115.710 -4.334 5.191 1.00 1.15 H new ATOM 0 HB2 LYS A 446 114.303 -6.373 5.985 1.00 1.92 H new ATOM 0 HB3 LYS A 446 114.667 -7.122 4.443 1.00 1.92 H new ATOM 0 HG2 LYS A 446 117.137 -6.851 4.928 1.00 2.25 H new ATOM 0 HG3 LYS A 446 116.734 -6.182 6.497 1.00 2.25 H new ATOM 0 HD2 LYS A 446 115.420 -8.312 6.997 1.00 2.85 H new ATOM 0 HD3 LYS A 446 116.005 -8.976 5.484 1.00 2.85 H new ATOM 0 HE2 LYS A 446 117.614 -9.773 7.075 1.00 3.64 H new ATOM 0 HE3 LYS A 446 118.417 -8.372 6.394 1.00 3.64 H new ATOM 0 HZ1 LYS A 446 118.401 -7.504 8.454 1.00 4.48 H new ATOM 0 HZ2 LYS A 446 116.713 -7.357 8.333 1.00 4.48 H new ATOM 0 HZ3 LYS A 446 117.396 -8.738 9.046 1.00 4.48 H new