USER MOD reduce.3.24.130724 H: found=0, std=0, add=899, rem=0, adj=22 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 :FLIP no HD1:sc= -3.97! C(o=-5.5!,f=-4.5!) USER MOD Set 1.2: A 408 ASN : amide:sc= -0.543 K(o=-4.5,f=-5.5!) USER MOD Single : A 318 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 320 SER OG : rot -160:sc= 0 USER MOD Single : A 326 GLN : amide:sc= 0 K(o=0,f=-2.1!) USER MOD Single : A 331 LYS NZ :NH3+ 139:sc= -0.24 (180deg=-1.04) USER MOD Single : A 332 THR OG1 : rot -166:sc= -1.93! USER MOD Single : A 338 GLN : amide:sc= -14.3! C(o=-14!,f=-22!) USER MOD Single : A 341 SER OG : rot 43:sc= -2.85 USER MOD Single : A 351 SER OG : rot -59:sc= -6.21! USER MOD Single : A 368 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 369 SER OG : rot -46:sc= -0.633! USER MOD Single : A 371 HIS :FLIP no HE2:sc= 0.21 F(o=-1,f=0.21) 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 :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : A 381 SER OG : rot 180:sc= 0 USER MOD Single : A 383 MET CE :methyl -116:sc= -2.87! (180deg=-10.6!) USER MOD Single : A 384 SER OG : rot 180:sc= 0 USER MOD Single : A 387 ASN :FLIP amide:sc= -4.72! C(o=-5.9!,f=-4.7!) USER MOD Single : A 390 ASN : amide:sc= -0.149 K(o=-0.15,f=-2.3!) USER MOD Single : A 392 MET CE :methyl 133:sc= -0.131 (180deg=-0.936) USER MOD Single : A 395 LYS NZ :NH3+ 169:sc= -7.09! (180deg=-7.18!) USER MOD Single : A 397 SER OG : rot 100:sc= -2.66! USER MOD Single : A 411 HIS : no HD1:sc= -0.553 X(o=-0.55,f=-0.63) USER MOD Single : A 414 THR OG1 : rot 180:sc= 0 USER MOD Single : A 418 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 419 LYS NZ :NH3+ 178:sc= -1.36! (180deg=-1.38!) USER MOD Single : A 422 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 426 GLN : amide:sc= -0.0519 X(o=-0.052,f=-0.45) USER MOD Single : A 429 THR OG1 : rot 180:sc= 0 USER MOD Single : A 437 SER OG : rot 180:sc= 0 USER MOD Single : A 446 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 39 N GLN A 318 113.090 -5.755 0.313 1.00 2.19 N ATOM 40 CA GLN A 318 111.764 -6.429 0.408 1.00 2.64 C ATOM 41 C GLN A 318 111.018 -5.935 1.650 1.00 2.16 C ATOM 42 O GLN A 318 111.612 -5.695 2.681 1.00 2.69 O ATOM 43 CB GLN A 318 112.092 -7.917 0.537 1.00 3.37 C ATOM 44 CG GLN A 318 113.017 -8.133 1.736 1.00 4.16 C ATOM 45 CD GLN A 318 113.302 -9.628 1.897 1.00 4.79 C ATOM 46 OE1 GLN A 318 112.668 -10.450 1.266 1.00 4.85 O ATOM 47 NE2 GLN A 318 114.236 -10.016 2.722 1.00 5.58 N ATOM 0 HA GLN A 318 111.126 -6.224 -0.452 1.00 2.64 H new ATOM 0 HB2 GLN A 318 111.175 -8.493 0.663 1.00 3.37 H new ATOM 0 HB3 GLN A 318 112.571 -8.275 -0.374 1.00 3.37 H new ATOM 0 HG2 GLN A 318 113.950 -7.587 1.592 1.00 4.16 H new ATOM 0 HG3 GLN A 318 112.554 -7.740 2.641 1.00 4.16 H new ATOM 0 HE21 GLN A 318 114.768 -9.325 3.251 1.00 5.58 H new ATOM 0 HE22 GLN A 318 114.434 -11.010 2.837 1.00 5.58 H new ATOM 56 N ALA A 319 109.721 -5.804 1.576 1.00 1.32 N ATOM 57 CA ALA A 319 108.962 -5.351 2.777 1.00 1.05 C ATOM 58 C ALA A 319 109.059 -6.395 3.882 1.00 0.89 C ATOM 59 O ALA A 319 108.666 -7.532 3.710 1.00 1.18 O ATOM 60 CB ALA A 319 107.514 -5.214 2.317 1.00 1.42 C ATOM 0 H ALA A 319 109.159 -5.989 0.745 1.00 1.32 H new ATOM 0 HA ALA A 319 109.354 -4.415 3.174 1.00 1.05 H new ATOM 0 HB1 ALA A 319 106.897 -4.883 3.152 1.00 1.42 H new ATOM 0 HB2 ALA A 319 107.456 -4.483 1.511 1.00 1.42 H new ATOM 0 HB3 ALA A 319 107.153 -6.178 1.959 1.00 1.42 H new ATOM 66 N SER A 320 109.494 -6.000 5.042 1.00 0.59 N ATOM 67 CA SER A 320 109.512 -6.957 6.180 1.00 0.64 C ATOM 68 C SER A 320 108.450 -6.579 7.218 1.00 0.49 C ATOM 69 O SER A 320 107.849 -7.432 7.840 1.00 0.50 O ATOM 70 CB SER A 320 110.915 -6.849 6.775 1.00 0.78 C ATOM 71 OG SER A 320 111.769 -7.789 6.135 1.00 1.60 O ATOM 0 H SER A 320 109.836 -5.062 5.252 1.00 0.59 H new ATOM 0 HA SER A 320 109.286 -7.974 5.861 1.00 0.64 H new ATOM 0 HB2 SER A 320 111.302 -5.839 6.642 1.00 0.78 H new ATOM 0 HB3 SER A 320 110.884 -7.040 7.848 1.00 0.78 H new ATOM 0 HG SER A 320 112.553 -7.955 6.699 1.00 1.60 H new ATOM 77 N GLU A 321 108.241 -5.309 7.441 1.00 0.45 N ATOM 78 CA GLU A 321 107.249 -4.892 8.477 1.00 0.44 C ATOM 79 C GLU A 321 106.484 -3.647 8.028 1.00 0.37 C ATOM 80 O GLU A 321 107.038 -2.761 7.416 1.00 0.35 O ATOM 81 CB GLU A 321 108.082 -4.585 9.717 1.00 0.59 C ATOM 82 CG GLU A 321 107.161 -4.111 10.842 1.00 0.73 C ATOM 83 CD GLU A 321 108.001 -3.712 12.056 1.00 1.02 C ATOM 84 OE1 GLU A 321 109.215 -3.785 11.962 1.00 1.82 O ATOM 85 OE2 GLU A 321 107.416 -3.339 13.060 1.00 1.30 O ATOM 0 H GLU A 321 108.711 -4.545 6.954 1.00 0.45 H new ATOM 0 HA GLU A 321 106.503 -5.666 8.660 1.00 0.44 H new ATOM 0 HB2 GLU A 321 108.629 -5.474 10.030 1.00 0.59 H new ATOM 0 HB3 GLU A 321 108.823 -3.818 9.491 1.00 0.59 H new ATOM 0 HG2 GLU A 321 106.564 -3.263 10.505 1.00 0.73 H new ATOM 0 HG3 GLU A 321 106.464 -4.904 11.114 1.00 0.73 H new ATOM 92 N PHE A 322 105.256 -3.510 8.444 1.00 0.40 N ATOM 93 CA PHE A 322 104.514 -2.245 8.164 1.00 0.37 C ATOM 94 C PHE A 322 104.149 -1.543 9.476 1.00 0.38 C ATOM 95 O PHE A 322 103.794 -2.172 10.452 1.00 0.42 O ATOM 96 CB PHE A 322 103.257 -2.667 7.394 1.00 0.41 C ATOM 97 CG PHE A 322 102.657 -3.909 8.006 1.00 0.52 C ATOM 98 CD1 PHE A 322 102.010 -3.842 9.248 1.00 0.67 C ATOM 99 CD2 PHE A 322 102.737 -5.129 7.321 1.00 0.94 C ATOM 100 CE1 PHE A 322 101.444 -4.998 9.806 1.00 0.87 C ATOM 101 CE2 PHE A 322 102.173 -6.283 7.879 1.00 1.14 C ATOM 102 CZ PHE A 322 101.525 -6.219 9.120 1.00 1.00 C ATOM 0 H PHE A 322 104.734 -4.215 8.964 1.00 0.40 H new ATOM 0 HA PHE A 322 105.111 -1.538 7.588 1.00 0.37 H new ATOM 0 HB2 PHE A 322 102.526 -1.858 7.407 1.00 0.41 H new ATOM 0 HB3 PHE A 322 103.508 -2.853 6.350 1.00 0.41 H new ATOM 0 HD1 PHE A 322 101.947 -2.901 9.775 1.00 0.67 H new ATOM 0 HD2 PHE A 322 103.233 -5.179 6.363 1.00 0.94 H new ATOM 0 HE1 PHE A 322 100.946 -4.948 10.763 1.00 0.87 H new ATOM 0 HE2 PHE A 322 102.238 -7.224 7.352 1.00 1.14 H new ATOM 0 HZ PHE A 322 101.088 -7.109 9.548 1.00 1.00 H new ATOM 112 N ILE A 323 104.201 -0.237 9.492 1.00 0.37 N ATOM 113 CA ILE A 323 103.818 0.511 10.727 1.00 0.41 C ATOM 114 C ILE A 323 102.769 1.579 10.398 1.00 0.43 C ATOM 115 O ILE A 323 102.892 2.286 9.419 1.00 0.53 O ATOM 116 CB ILE A 323 105.102 1.169 11.226 1.00 0.44 C ATOM 117 CG1 ILE A 323 106.268 0.182 11.117 1.00 0.46 C ATOM 118 CG2 ILE A 323 104.916 1.574 12.689 1.00 0.48 C ATOM 119 CD1 ILE A 323 105.976 -1.047 11.980 1.00 0.52 C ATOM 0 H ILE A 323 104.491 0.344 8.705 1.00 0.37 H new ATOM 0 HA ILE A 323 103.384 -0.148 11.478 1.00 0.41 H new ATOM 0 HB ILE A 323 105.320 2.048 10.620 1.00 0.44 H new ATOM 0 HG12 ILE A 323 106.411 -0.115 10.078 1.00 0.46 H new ATOM 0 HG13 ILE A 323 107.193 0.657 11.443 1.00 0.46 H new ATOM 0 HG21 ILE A 323 105.828 2.045 13.055 1.00 0.48 H new ATOM 0 HG22 ILE A 323 104.087 2.277 12.769 1.00 0.48 H new ATOM 0 HG23 ILE A 323 104.700 0.689 13.287 1.00 0.48 H new ATOM 0 HD11 ILE A 323 106.805 -1.751 11.904 1.00 0.52 H new ATOM 0 HD12 ILE A 323 105.854 -0.741 13.019 1.00 0.52 H new ATOM 0 HD13 ILE A 323 105.060 -1.526 11.633 1.00 0.52 H new ATOM 131 N PRO A 324 101.713 1.580 11.165 1.00 0.36 N ATOM 132 CA PRO A 324 100.561 2.467 10.874 1.00 0.40 C ATOM 133 C PRO A 324 100.965 3.939 10.906 1.00 0.64 C ATOM 134 O PRO A 324 101.834 4.337 11.654 1.00 1.44 O ATOM 135 CB PRO A 324 99.564 2.184 11.990 1.00 0.33 C ATOM 136 CG PRO A 324 100.043 0.952 12.686 1.00 0.30 C ATOM 137 CD PRO A 324 101.500 0.768 12.363 1.00 0.29 C ATOM 0 HA PRO A 324 100.156 2.279 9.880 1.00 0.40 H new ATOM 0 HB2 PRO A 324 99.509 3.024 12.683 1.00 0.33 H new ATOM 0 HB3 PRO A 324 98.562 2.037 11.587 1.00 0.33 H new ATOM 0 HG2 PRO A 324 99.901 1.044 13.763 1.00 0.30 H new ATOM 0 HG3 PRO A 324 99.469 0.084 12.361 1.00 0.30 H new ATOM 0 HD2 PRO A 324 102.134 1.099 13.185 1.00 0.29 H new ATOM 0 HD3 PRO A 324 101.737 -0.280 12.180 1.00 0.29 H new ATOM 145 N ALA A 325 100.194 4.768 10.260 1.00 0.75 N ATOM 146 CA ALA A 325 100.373 6.234 10.431 1.00 0.98 C ATOM 147 C ALA A 325 99.757 6.667 11.761 1.00 0.81 C ATOM 148 O ALA A 325 99.497 5.855 12.628 1.00 1.11 O ATOM 149 CB ALA A 325 99.622 6.866 9.259 1.00 1.58 C ATOM 0 H ALA A 325 99.448 4.493 9.621 1.00 0.75 H new ATOM 0 HA ALA A 325 101.421 6.533 10.443 1.00 0.98 H new ATOM 0 HB1 ALA A 325 99.707 7.951 9.315 1.00 1.58 H new ATOM 0 HB2 ALA A 325 100.052 6.516 8.320 1.00 1.58 H new ATOM 0 HB3 ALA A 325 98.571 6.582 9.305 1.00 1.58 H new ATOM 155 N GLN A 326 99.581 7.939 11.956 1.00 0.91 N ATOM 156 CA GLN A 326 99.053 8.422 13.262 1.00 1.48 C ATOM 157 C GLN A 326 97.621 7.913 13.481 1.00 1.32 C ATOM 158 O GLN A 326 96.675 8.445 12.938 1.00 1.83 O ATOM 159 CB GLN A 326 99.071 9.947 13.143 1.00 2.25 C ATOM 160 CG GLN A 326 98.827 10.571 14.519 1.00 3.14 C ATOM 161 CD GLN A 326 98.972 12.091 14.419 1.00 3.55 C ATOM 162 OE1 GLN A 326 99.305 12.614 13.374 1.00 4.00 O ATOM 163 NE2 GLN A 326 98.737 12.828 15.470 1.00 3.92 N ATOM 0 H GLN A 326 99.779 8.667 11.270 1.00 0.91 H new ATOM 0 HA GLN A 326 99.642 8.067 14.107 1.00 1.48 H new ATOM 0 HB2 GLN A 326 100.030 10.280 12.746 1.00 2.25 H new ATOM 0 HB3 GLN A 326 98.304 10.276 12.442 1.00 2.25 H new ATOM 0 HG2 GLN A 326 97.830 10.312 14.877 1.00 3.14 H new ATOM 0 HG3 GLN A 326 99.539 10.173 15.243 1.00 3.14 H new ATOM 0 HE21 GLN A 326 98.457 12.390 16.348 1.00 3.92 H new ATOM 0 HE22 GLN A 326 98.833 13.842 15.414 1.00 3.92 H new ATOM 172 N GLY A 327 97.450 6.946 14.347 1.00 1.28 N ATOM 173 CA GLY A 327 96.072 6.476 14.683 1.00 1.48 C ATOM 174 C GLY A 327 95.652 5.336 13.746 1.00 1.24 C ATOM 175 O GLY A 327 94.479 5.090 13.548 1.00 1.52 O ATOM 0 H GLY A 327 98.204 6.463 14.835 1.00 1.28 H new ATOM 0 HA2 GLY A 327 96.039 6.135 15.718 1.00 1.48 H new ATOM 0 HA3 GLY A 327 95.368 7.304 14.598 1.00 1.48 H new ATOM 179 N VAL A 328 96.592 4.695 13.106 1.00 0.93 N ATOM 180 CA VAL A 328 96.229 3.643 12.109 1.00 1.03 C ATOM 181 C VAL A 328 96.535 2.241 12.656 1.00 1.06 C ATOM 182 O VAL A 328 97.451 2.055 13.432 1.00 1.71 O ATOM 183 CB VAL A 328 97.101 3.941 10.889 1.00 1.43 C ATOM 184 CG1 VAL A 328 96.768 2.951 9.771 1.00 1.73 C ATOM 185 CG2 VAL A 328 96.827 5.366 10.405 1.00 1.57 C ATOM 0 H VAL A 328 97.592 4.852 13.228 1.00 0.93 H new ATOM 0 HA VAL A 328 95.165 3.658 11.872 1.00 1.03 H new ATOM 0 HB VAL A 328 98.152 3.844 11.160 1.00 1.43 H new ATOM 0 HG11 VAL A 328 97.389 3.163 8.901 1.00 1.73 H new ATOM 0 HG12 VAL A 328 96.960 1.935 10.116 1.00 1.73 H new ATOM 0 HG13 VAL A 328 95.717 3.049 9.499 1.00 1.73 H new ATOM 0 HG21 VAL A 328 97.448 5.580 9.535 1.00 1.57 H new ATOM 0 HG22 VAL A 328 95.776 5.462 10.133 1.00 1.57 H new ATOM 0 HG23 VAL A 328 97.062 6.072 11.201 1.00 1.57 H new ATOM 195 N ASP A 329 95.814 1.247 12.208 1.00 1.16 N ATOM 196 CA ASP A 329 96.114 -0.153 12.641 1.00 1.20 C ATOM 197 C ASP A 329 97.218 -0.756 11.760 1.00 1.16 C ATOM 198 O ASP A 329 97.342 -0.425 10.597 1.00 1.39 O ATOM 199 CB ASP A 329 94.801 -0.915 12.454 1.00 1.44 C ATOM 200 CG ASP A 329 93.755 -0.378 13.432 1.00 1.37 C ATOM 201 OD1 ASP A 329 94.136 0.344 14.339 1.00 2.02 O ATOM 202 OD2 ASP A 329 92.591 -0.699 13.258 1.00 1.69 O ATOM 0 H ASP A 329 95.031 1.342 11.562 1.00 1.16 H new ATOM 0 HA ASP A 329 96.469 -0.200 13.670 1.00 1.20 H new ATOM 0 HB2 ASP A 329 94.447 -0.804 11.429 1.00 1.44 H new ATOM 0 HB3 ASP A 329 94.959 -1.980 12.623 1.00 1.44 H new ATOM 207 N GLU A 330 98.083 -1.554 12.330 1.00 1.13 N ATOM 208 CA GLU A 330 99.248 -2.076 11.549 1.00 1.11 C ATOM 209 C GLU A 330 98.776 -3.019 10.441 1.00 0.97 C ATOM 210 O GLU A 330 99.230 -2.948 9.316 1.00 0.91 O ATOM 211 CB GLU A 330 100.096 -2.835 12.571 1.00 1.28 C ATOM 212 CG GLU A 330 99.402 -4.149 12.937 1.00 1.68 C ATOM 213 CD GLU A 330 100.184 -4.845 14.052 1.00 2.07 C ATOM 214 OE1 GLU A 330 101.241 -4.350 14.408 1.00 2.49 O ATOM 215 OE2 GLU A 330 99.713 -5.864 14.531 1.00 2.70 O ATOM 0 H GLU A 330 98.035 -1.867 13.300 1.00 1.13 H new ATOM 0 HA GLU A 330 99.806 -1.276 11.062 1.00 1.11 H new ATOM 0 HB2 GLU A 330 101.085 -3.036 12.160 1.00 1.28 H new ATOM 0 HB3 GLU A 330 100.239 -2.226 13.464 1.00 1.28 H new ATOM 0 HG2 GLU A 330 98.380 -3.955 13.262 1.00 1.68 H new ATOM 0 HG3 GLU A 330 99.341 -4.796 12.062 1.00 1.68 H new ATOM 222 N LYS A 331 97.829 -3.863 10.730 1.00 0.98 N ATOM 223 CA LYS A 331 97.293 -4.757 9.669 1.00 0.92 C ATOM 224 C LYS A 331 96.709 -3.916 8.534 1.00 0.81 C ATOM 225 O LYS A 331 96.861 -4.228 7.371 1.00 0.80 O ATOM 226 CB LYS A 331 96.202 -5.581 10.352 1.00 1.02 C ATOM 227 CG LYS A 331 96.835 -6.488 11.406 1.00 1.49 C ATOM 228 CD LYS A 331 95.748 -7.330 12.077 1.00 2.27 C ATOM 229 CE LYS A 331 95.206 -8.354 11.077 1.00 2.60 C ATOM 230 NZ LYS A 331 93.905 -7.791 10.620 1.00 3.03 N ATOM 0 H LYS A 331 97.404 -3.973 11.651 1.00 0.98 H new ATOM 0 HA LYS A 331 98.061 -5.396 9.233 1.00 0.92 H new ATOM 0 HB2 LYS A 331 95.470 -4.921 10.817 1.00 1.02 H new ATOM 0 HB3 LYS A 331 95.668 -6.180 9.614 1.00 1.02 H new ATOM 0 HG2 LYS A 331 97.578 -7.137 10.943 1.00 1.49 H new ATOM 0 HG3 LYS A 331 97.356 -5.888 12.152 1.00 1.49 H new ATOM 0 HD2 LYS A 331 96.155 -7.839 12.951 1.00 2.27 H new ATOM 0 HD3 LYS A 331 94.941 -6.688 12.429 1.00 2.27 H new ATOM 0 HE2 LYS A 331 95.892 -8.492 10.241 1.00 2.60 H new ATOM 0 HE3 LYS A 331 95.072 -9.330 11.544 1.00 2.60 H new ATOM 0 HZ1 LYS A 331 93.803 -7.939 9.596 1.00 3.03 H new ATOM 0 HZ2 LYS A 331 93.126 -8.268 11.118 1.00 3.03 H new ATOM 0 HZ3 LYS A 331 93.876 -6.772 10.827 1.00 3.03 H new ATOM 244 N THR A 332 96.082 -2.822 8.863 1.00 0.78 N ATOM 245 CA THR A 332 95.531 -1.934 7.801 1.00 0.74 C ATOM 246 C THR A 332 96.649 -1.463 6.867 1.00 0.65 C ATOM 247 O THR A 332 96.503 -1.465 5.661 1.00 0.66 O ATOM 248 CB THR A 332 94.926 -0.748 8.552 1.00 0.77 C ATOM 249 OG1 THR A 332 93.929 -1.216 9.449 1.00 0.90 O ATOM 250 CG2 THR A 332 94.304 0.227 7.553 1.00 0.82 C ATOM 0 H THR A 332 95.927 -2.504 9.820 1.00 0.78 H new ATOM 0 HA THR A 332 94.795 -2.444 7.180 1.00 0.74 H new ATOM 0 HB THR A 332 95.707 -0.236 9.114 1.00 0.77 H new ATOM 0 HG1 THR A 332 93.392 -0.460 9.764 1.00 0.90 H new ATOM 0 HG21 THR A 332 93.873 1.072 8.090 1.00 0.82 H new ATOM 0 HG22 THR A 332 95.072 0.586 6.868 1.00 0.82 H new ATOM 0 HG23 THR A 332 93.522 -0.281 6.988 1.00 0.82 H new ATOM 258 N LEU A 333 97.759 -1.042 7.410 1.00 0.59 N ATOM 259 CA LEU A 333 98.863 -0.552 6.535 1.00 0.57 C ATOM 260 C LEU A 333 99.363 -1.661 5.607 1.00 0.58 C ATOM 261 O LEU A 333 99.576 -1.449 4.429 1.00 0.54 O ATOM 262 CB LEU A 333 99.978 -0.127 7.483 1.00 0.68 C ATOM 263 CG LEU A 333 101.234 0.152 6.659 1.00 0.64 C ATOM 264 CD1 LEU A 333 100.999 1.361 5.754 1.00 0.93 C ATOM 265 CD2 LEU A 333 102.406 0.446 7.592 1.00 0.87 C ATOM 0 H LEU A 333 97.949 -1.016 8.412 1.00 0.59 H new ATOM 0 HA LEU A 333 98.527 0.267 5.899 1.00 0.57 H new ATOM 0 HB2 LEU A 333 99.684 0.763 8.039 1.00 0.68 H new ATOM 0 HB3 LEU A 333 100.172 -0.911 8.216 1.00 0.68 H new ATOM 0 HG LEU A 333 101.461 -0.723 6.049 1.00 0.64 H new ATOM 0 HD11 LEU A 333 101.897 1.557 5.168 1.00 0.93 H new ATOM 0 HD12 LEU A 333 100.165 1.156 5.083 1.00 0.93 H new ATOM 0 HD13 LEU A 333 100.767 2.233 6.365 1.00 0.93 H new ATOM 0 HD21 LEU A 333 103.300 0.645 7.001 1.00 0.87 H new ATOM 0 HD22 LEU A 333 102.174 1.318 8.204 1.00 0.87 H new ATOM 0 HD23 LEU A 333 102.581 -0.414 8.238 1.00 0.87 H new ATOM 277 N ALA A 334 99.529 -2.847 6.119 1.00 0.66 N ATOM 278 CA ALA A 334 99.993 -3.972 5.258 1.00 0.73 C ATOM 279 C ALA A 334 99.000 -4.202 4.118 1.00 0.68 C ATOM 280 O ALA A 334 99.368 -4.537 3.011 1.00 0.66 O ATOM 281 CB ALA A 334 100.031 -5.183 6.188 1.00 0.87 C ATOM 0 H ALA A 334 99.364 -3.088 7.096 1.00 0.66 H new ATOM 0 HA ALA A 334 100.963 -3.776 4.801 1.00 0.73 H new ATOM 0 HB1 ALA A 334 100.364 -6.059 5.631 1.00 0.87 H new ATOM 0 HB2 ALA A 334 100.722 -4.990 7.008 1.00 0.87 H new ATOM 0 HB3 ALA A 334 99.034 -5.365 6.589 1.00 0.87 H new ATOM 287 N ASP A 335 97.741 -4.062 4.396 1.00 0.67 N ATOM 288 CA ASP A 335 96.706 -4.320 3.352 1.00 0.65 C ATOM 289 C ASP A 335 96.787 -3.299 2.218 1.00 0.62 C ATOM 290 O ASP A 335 96.785 -3.651 1.056 1.00 0.69 O ATOM 291 CB ASP A 335 95.385 -4.169 4.085 1.00 0.67 C ATOM 292 CG ASP A 335 94.236 -4.593 3.169 1.00 1.19 C ATOM 293 OD1 ASP A 335 94.517 -5.073 2.083 1.00 1.96 O ATOM 294 OD2 ASP A 335 93.094 -4.433 3.570 1.00 1.61 O ATOM 0 H ASP A 335 97.376 -3.778 5.305 1.00 0.67 H new ATOM 0 HA ASP A 335 96.835 -5.300 2.893 1.00 0.65 H new ATOM 0 HB2 ASP A 335 95.387 -4.779 4.988 1.00 0.67 H new ATOM 0 HB3 ASP A 335 95.249 -3.134 4.400 1.00 0.67 H new ATOM 299 N ALA A 336 96.805 -2.037 2.539 1.00 0.60 N ATOM 300 CA ALA A 336 96.809 -1.005 1.466 1.00 0.62 C ATOM 301 C ALA A 336 98.100 -1.076 0.653 1.00 0.51 C ATOM 302 O ALA A 336 98.088 -0.931 -0.551 1.00 0.55 O ATOM 303 CB ALA A 336 96.692 0.334 2.191 1.00 0.76 C ATOM 0 H ALA A 336 96.817 -1.676 3.493 1.00 0.60 H new ATOM 0 HA ALA A 336 95.992 -1.151 0.759 1.00 0.62 H new ATOM 0 HB1 ALA A 336 96.689 1.144 1.461 1.00 0.76 H new ATOM 0 HB2 ALA A 336 95.765 0.358 2.764 1.00 0.76 H new ATOM 0 HB3 ALA A 336 97.539 0.457 2.866 1.00 0.76 H new ATOM 309 N ALA A 337 99.213 -1.295 1.290 1.00 0.46 N ATOM 310 CA ALA A 337 100.492 -1.356 0.519 1.00 0.50 C ATOM 311 C ALA A 337 100.500 -2.570 -0.418 1.00 0.62 C ATOM 312 O ALA A 337 101.034 -2.516 -1.508 1.00 0.72 O ATOM 313 CB ALA A 337 101.598 -1.477 1.570 1.00 0.50 C ATOM 0 H ALA A 337 99.298 -1.433 2.297 1.00 0.46 H new ATOM 0 HA ALA A 337 100.628 -0.475 -0.109 1.00 0.50 H new ATOM 0 HB1 ALA A 337 102.567 -1.527 1.074 1.00 0.50 H new ATOM 0 HB2 ALA A 337 101.571 -0.608 2.228 1.00 0.50 H new ATOM 0 HB3 ALA A 337 101.444 -2.382 2.158 1.00 0.50 H new ATOM 319 N GLN A 338 100.038 -3.697 0.051 1.00 0.71 N ATOM 320 CA GLN A 338 100.162 -4.945 -0.757 1.00 0.91 C ATOM 321 C GLN A 338 99.119 -5.003 -1.879 1.00 0.94 C ATOM 322 O GLN A 338 99.399 -5.476 -2.963 1.00 1.06 O ATOM 323 CB GLN A 338 99.974 -6.074 0.248 1.00 1.03 C ATOM 324 CG GLN A 338 101.336 -6.372 0.878 1.00 1.03 C ATOM 325 CD GLN A 338 101.580 -5.423 2.057 1.00 0.94 C ATOM 326 OE1 GLN A 338 101.506 -4.221 1.907 1.00 1.72 O ATOM 327 NE2 GLN A 338 101.870 -5.913 3.230 1.00 0.69 N ATOM 0 H GLN A 338 99.581 -3.808 0.956 1.00 0.71 H new ATOM 0 HA GLN A 338 101.124 -5.007 -1.266 1.00 0.91 H new ATOM 0 HB2 GLN A 338 99.253 -5.787 1.014 1.00 1.03 H new ATOM 0 HB3 GLN A 338 99.579 -6.962 -0.245 1.00 1.03 H new ATOM 0 HG2 GLN A 338 101.371 -7.407 1.219 1.00 1.03 H new ATOM 0 HG3 GLN A 338 102.125 -6.254 0.135 1.00 1.03 H new ATOM 0 HE21 GLN A 338 101.933 -6.923 3.360 1.00 0.69 H new ATOM 0 HE22 GLN A 338 102.034 -5.287 4.018 1.00 0.69 H new ATOM 336 N LEU A 339 97.945 -4.477 -1.670 1.00 0.86 N ATOM 337 CA LEU A 339 96.951 -4.459 -2.782 1.00 0.90 C ATOM 338 C LEU A 339 97.332 -3.384 -3.809 1.00 0.84 C ATOM 339 O LEU A 339 97.186 -3.574 -5.001 1.00 1.00 O ATOM 340 CB LEU A 339 95.598 -4.153 -2.130 1.00 0.80 C ATOM 341 CG LEU A 339 95.623 -2.774 -1.469 1.00 1.01 C ATOM 342 CD1 LEU A 339 95.355 -1.697 -2.522 1.00 1.34 C ATOM 343 CD2 LEU A 339 94.534 -2.715 -0.393 1.00 1.58 C ATOM 0 H LEU A 339 97.632 -4.064 -0.791 1.00 0.86 H new ATOM 0 HA LEU A 339 96.917 -5.408 -3.318 1.00 0.90 H new ATOM 0 HB2 LEU A 339 94.809 -4.189 -2.881 1.00 0.80 H new ATOM 0 HB3 LEU A 339 95.365 -4.915 -1.387 1.00 0.80 H new ATOM 0 HG LEU A 339 96.600 -2.602 -1.016 1.00 1.01 H new ATOM 0 HD11 LEU A 339 95.373 -0.715 -2.050 1.00 1.34 H new ATOM 0 HD12 LEU A 339 96.124 -1.743 -3.294 1.00 1.34 H new ATOM 0 HD13 LEU A 339 94.377 -1.865 -2.973 1.00 1.34 H new ATOM 0 HD21 LEU A 339 94.546 -1.734 0.083 1.00 1.58 H new ATOM 0 HD22 LEU A 339 93.560 -2.884 -0.852 1.00 1.58 H new ATOM 0 HD23 LEU A 339 94.721 -3.484 0.356 1.00 1.58 H new ATOM 355 N ALA A 340 97.826 -2.262 -3.359 1.00 0.74 N ATOM 356 CA ALA A 340 98.222 -1.179 -4.308 1.00 0.93 C ATOM 357 C ALA A 340 99.486 -1.571 -5.077 1.00 1.36 C ATOM 358 O ALA A 340 99.927 -0.867 -5.964 1.00 2.24 O ATOM 359 CB ALA A 340 98.503 0.034 -3.423 1.00 0.82 C ATOM 0 H ALA A 340 97.973 -2.047 -2.373 1.00 0.74 H new ATOM 0 HA ALA A 340 97.447 -0.984 -5.049 1.00 0.93 H new ATOM 0 HB1 ALA A 340 98.802 0.877 -4.046 1.00 0.82 H new ATOM 0 HB2 ALA A 340 97.603 0.295 -2.866 1.00 0.82 H new ATOM 0 HB3 ALA A 340 99.305 -0.203 -2.724 1.00 0.82 H new ATOM 365 N SER A 341 100.067 -2.693 -4.754 1.00 1.07 N ATOM 366 CA SER A 341 101.295 -3.129 -5.483 1.00 1.44 C ATOM 367 C SER A 341 100.927 -4.129 -6.579 1.00 1.51 C ATOM 368 O SER A 341 101.675 -4.350 -7.510 1.00 2.65 O ATOM 369 CB SER A 341 102.190 -3.777 -4.426 1.00 2.84 C ATOM 370 OG SER A 341 101.381 -4.356 -3.413 1.00 3.56 O ATOM 0 H SER A 341 99.748 -3.326 -4.020 1.00 1.07 H new ATOM 0 HA SER A 341 101.801 -2.297 -5.973 1.00 1.44 H new ATOM 0 HB2 SER A 341 102.819 -4.540 -4.885 1.00 2.84 H new ATOM 0 HB3 SER A 341 102.857 -3.032 -3.992 1.00 2.84 H new ATOM 0 HG SER A 341 100.625 -4.824 -3.826 1.00 3.56 H new ATOM 376 N LEU A 342 99.745 -4.671 -6.519 1.00 1.19 N ATOM 377 CA LEU A 342 99.287 -5.583 -7.608 1.00 2.40 C ATOM 378 C LEU A 342 99.370 -4.869 -8.961 1.00 2.59 C ATOM 379 O LEU A 342 99.469 -5.494 -9.998 1.00 3.62 O ATOM 380 CB LEU A 342 97.833 -5.907 -7.269 1.00 3.39 C ATOM 381 CG LEU A 342 97.759 -6.566 -5.892 1.00 3.93 C ATOM 382 CD1 LEU A 342 96.324 -7.023 -5.627 1.00 4.36 C ATOM 383 CD2 LEU A 342 98.695 -7.776 -5.856 1.00 3.74 C ATOM 0 H LEU A 342 99.074 -4.524 -5.765 1.00 1.19 H new ATOM 0 HA LEU A 342 99.900 -6.481 -7.679 1.00 2.40 H new ATOM 0 HB2 LEU A 342 97.235 -4.995 -7.279 1.00 3.39 H new ATOM 0 HB3 LEU A 342 97.413 -6.572 -8.024 1.00 3.39 H new ATOM 0 HG LEU A 342 98.061 -5.851 -5.127 1.00 3.93 H new ATOM 0 HD11 LEU A 342 96.267 -7.494 -4.645 1.00 4.36 H new ATOM 0 HD12 LEU A 342 95.657 -6.162 -5.655 1.00 4.36 H new ATOM 0 HD13 LEU A 342 96.024 -7.740 -6.391 1.00 4.36 H new ATOM 0 HD21 LEU A 342 98.643 -8.247 -4.874 1.00 3.74 H new ATOM 0 HD22 LEU A 342 98.392 -8.493 -6.619 1.00 3.74 H new ATOM 0 HD23 LEU A 342 99.717 -7.451 -6.049 1.00 3.74 H new ATOM 395 N ALA A 343 99.357 -3.563 -8.954 1.00 2.04 N ATOM 396 CA ALA A 343 99.466 -2.807 -10.237 1.00 2.90 C ATOM 397 C ALA A 343 100.930 -2.685 -10.670 1.00 2.34 C ATOM 398 O ALA A 343 101.239 -2.693 -11.844 1.00 2.96 O ATOM 399 CB ALA A 343 98.877 -1.428 -9.939 1.00 3.81 C ATOM 0 H ALA A 343 99.276 -2.987 -8.116 1.00 2.04 H new ATOM 0 HA ALA A 343 98.941 -3.308 -11.050 1.00 2.90 H new ATOM 0 HB1 ALA A 343 98.922 -0.812 -10.837 1.00 3.81 H new ATOM 0 HB2 ALA A 343 97.839 -1.536 -9.624 1.00 3.81 H new ATOM 0 HB3 ALA A 343 99.450 -0.952 -9.143 1.00 3.81 H new ATOM 405 N ASP A 344 101.829 -2.520 -9.739 1.00 1.46 N ATOM 406 CA ASP A 344 103.260 -2.338 -10.118 1.00 1.77 C ATOM 407 C ASP A 344 103.846 -3.657 -10.631 1.00 1.92 C ATOM 408 O ASP A 344 103.605 -4.712 -10.077 1.00 1.99 O ATOM 409 CB ASP A 344 103.962 -1.896 -8.832 1.00 1.69 C ATOM 410 CG ASP A 344 104.121 -3.091 -7.892 1.00 2.00 C ATOM 411 OD1 ASP A 344 104.853 -4.002 -8.243 1.00 2.84 O ATOM 412 OD2 ASP A 344 103.512 -3.075 -6.836 1.00 1.89 O ATOM 0 H ASP A 344 101.637 -2.503 -8.737 1.00 1.46 H new ATOM 0 HA ASP A 344 103.384 -1.607 -10.917 1.00 1.77 H new ATOM 0 HB2 ASP A 344 104.939 -1.474 -9.067 1.00 1.69 H new ATOM 0 HB3 ASP A 344 103.385 -1.111 -8.343 1.00 1.69 H new ATOM 460 N GLU A 348 110.043 -5.806 -6.530 1.00 1.76 N ATOM 461 CA GLU A 348 109.875 -5.366 -5.115 1.00 1.64 C ATOM 462 C GLU A 348 108.387 -5.240 -4.775 1.00 1.41 C ATOM 463 O GLU A 348 107.959 -5.569 -3.688 1.00 1.31 O ATOM 464 CB GLU A 348 110.559 -4.001 -5.043 1.00 1.72 C ATOM 465 CG GLU A 348 112.058 -4.166 -5.302 1.00 2.14 C ATOM 466 CD GLU A 348 112.752 -2.810 -5.162 1.00 2.49 C ATOM 467 OE1 GLU A 348 112.054 -1.817 -5.049 1.00 3.25 O ATOM 468 OE2 GLU A 348 113.973 -2.788 -5.170 1.00 2.49 O ATOM 0 HA GLU A 348 110.304 -6.075 -4.407 1.00 1.64 H new ATOM 0 HB2 GLU A 348 110.124 -3.325 -5.780 1.00 1.72 H new ATOM 0 HB3 GLU A 348 110.396 -3.552 -4.063 1.00 1.72 H new ATOM 0 HG2 GLU A 348 112.484 -4.879 -4.596 1.00 2.14 H new ATOM 0 HG3 GLU A 348 112.223 -4.570 -6.301 1.00 2.14 H new ATOM 475 N GLY A 349 107.594 -4.791 -5.705 1.00 1.42 N ATOM 476 CA GLY A 349 106.131 -4.671 -5.445 1.00 1.30 C ATOM 477 C GLY A 349 105.551 -6.049 -5.128 1.00 1.23 C ATOM 478 O GLY A 349 104.659 -6.185 -4.316 1.00 1.23 O ATOM 0 H GLY A 349 107.894 -4.501 -6.636 1.00 1.42 H new ATOM 0 HA2 GLY A 349 105.954 -3.991 -4.612 1.00 1.30 H new ATOM 0 HA3 GLY A 349 105.631 -4.246 -6.315 1.00 1.30 H new ATOM 482 N ARG A 350 106.154 -7.087 -5.640 1.00 1.19 N ATOM 483 CA ARG A 350 105.740 -8.457 -5.227 1.00 1.15 C ATOM 484 C ARG A 350 106.284 -8.753 -3.837 1.00 1.06 C ATOM 485 O ARG A 350 105.633 -9.368 -3.021 1.00 0.94 O ATOM 486 CB ARG A 350 106.362 -9.394 -6.259 1.00 1.18 C ATOM 487 CG ARG A 350 106.097 -8.845 -7.657 1.00 1.81 C ATOM 488 CD ARG A 350 106.596 -9.845 -8.704 1.00 2.33 C ATOM 489 NE ARG A 350 106.471 -9.133 -10.006 1.00 2.77 N ATOM 490 CZ ARG A 350 107.072 -9.596 -11.069 1.00 3.16 C ATOM 491 NH1 ARG A 350 107.785 -10.689 -10.999 1.00 3.46 N ATOM 492 NH2 ARG A 350 106.958 -8.967 -12.207 1.00 3.62 N ATOM 0 H ARG A 350 106.911 -7.046 -6.322 1.00 1.19 H new ATOM 0 HA ARG A 350 104.657 -8.573 -5.186 1.00 1.15 H new ATOM 0 HB2 ARG A 350 107.435 -9.483 -6.087 1.00 1.18 H new ATOM 0 HB3 ARG A 350 105.939 -10.394 -6.162 1.00 1.18 H new ATOM 0 HG2 ARG A 350 105.031 -8.664 -7.792 1.00 1.81 H new ATOM 0 HG3 ARG A 350 106.602 -7.887 -7.784 1.00 1.81 H new ATOM 0 HD2 ARG A 350 107.628 -10.137 -8.511 1.00 2.33 H new ATOM 0 HD3 ARG A 350 106.000 -10.757 -8.694 1.00 2.33 H new ATOM 0 HE ARG A 350 105.914 -8.281 -10.068 1.00 2.77 H new ATOM 0 HH11 ARG A 350 107.874 -11.184 -10.112 1.00 3.46 H new ATOM 0 HH12 ARG A 350 108.253 -11.047 -11.832 1.00 3.46 H new ATOM 0 HH21 ARG A 350 106.400 -8.115 -12.265 1.00 3.62 H new ATOM 0 HH22 ARG A 350 107.427 -9.327 -13.038 1.00 3.62 H new ATOM 506 N SER A 351 107.448 -8.261 -3.538 1.00 1.15 N ATOM 507 CA SER A 351 107.996 -8.456 -2.168 1.00 1.10 C ATOM 508 C SER A 351 106.988 -7.954 -1.129 1.00 0.97 C ATOM 509 O SER A 351 106.612 -8.664 -0.219 1.00 0.87 O ATOM 510 CB SER A 351 109.269 -7.616 -2.131 1.00 1.25 C ATOM 511 OG SER A 351 109.991 -7.918 -0.948 1.00 2.40 O ATOM 0 H SER A 351 108.043 -7.734 -4.177 1.00 1.15 H new ATOM 0 HA SER A 351 108.195 -9.504 -1.942 1.00 1.10 H new ATOM 0 HB2 SER A 351 109.882 -7.823 -3.008 1.00 1.25 H new ATOM 0 HB3 SER A 351 109.020 -6.555 -2.159 1.00 1.25 H new ATOM 0 HG SER A 351 109.433 -7.725 -0.166 1.00 2.40 H new ATOM 517 N ILE A 352 106.497 -6.760 -1.296 1.00 1.00 N ATOM 518 CA ILE A 352 105.456 -6.237 -0.365 1.00 0.93 C ATOM 519 C ILE A 352 104.192 -7.111 -0.408 1.00 0.80 C ATOM 520 O ILE A 352 103.675 -7.517 0.616 1.00 0.70 O ATOM 521 CB ILE A 352 105.181 -4.822 -0.874 1.00 1.08 C ATOM 522 CG1 ILE A 352 106.290 -3.892 -0.378 1.00 1.16 C ATOM 523 CG2 ILE A 352 103.829 -4.325 -0.365 1.00 1.16 C ATOM 524 CD1 ILE A 352 106.167 -2.535 -1.067 1.00 1.39 C ATOM 0 H ILE A 352 106.772 -6.119 -2.040 1.00 1.00 H new ATOM 0 HA ILE A 352 105.777 -6.244 0.677 1.00 0.93 H new ATOM 0 HB ILE A 352 105.159 -4.830 -1.964 1.00 1.08 H new ATOM 0 HG12 ILE A 352 106.220 -3.770 0.703 1.00 1.16 H new ATOM 0 HG13 ILE A 352 107.266 -4.330 -0.587 1.00 1.16 H new ATOM 0 HG21 ILE A 352 103.649 -3.316 -0.737 1.00 1.16 H new ATOM 0 HG22 ILE A 352 103.040 -4.989 -0.720 1.00 1.16 H new ATOM 0 HG23 ILE A 352 103.832 -4.315 0.725 1.00 1.16 H new ATOM 0 HD11 ILE A 352 106.958 -1.874 -0.712 1.00 1.39 H new ATOM 0 HD12 ILE A 352 106.259 -2.665 -2.145 1.00 1.39 H new ATOM 0 HD13 ILE A 352 105.196 -2.096 -0.836 1.00 1.39 H new ATOM 536 N VAL A 353 103.679 -7.395 -1.575 1.00 0.86 N ATOM 537 CA VAL A 353 102.438 -8.226 -1.661 1.00 0.82 C ATOM 538 C VAL A 353 102.640 -9.573 -0.956 1.00 0.77 C ATOM 539 O VAL A 353 101.770 -10.050 -0.258 1.00 0.77 O ATOM 540 CB VAL A 353 102.203 -8.435 -3.157 1.00 0.97 C ATOM 541 CG1 VAL A 353 101.143 -9.519 -3.360 1.00 1.18 C ATOM 542 CG2 VAL A 353 101.715 -7.127 -3.782 1.00 1.10 C ATOM 0 H VAL A 353 104.062 -7.090 -2.470 1.00 0.86 H new ATOM 0 HA VAL A 353 101.590 -7.743 -1.176 1.00 0.82 H new ATOM 0 HB VAL A 353 103.135 -8.742 -3.632 1.00 0.97 H new ATOM 0 HG11 VAL A 353 100.975 -9.668 -4.427 1.00 1.18 H new ATOM 0 HG12 VAL A 353 101.486 -10.452 -2.913 1.00 1.18 H new ATOM 0 HG13 VAL A 353 100.211 -9.210 -2.886 1.00 1.18 H new ATOM 0 HG21 VAL A 353 101.547 -7.274 -4.849 1.00 1.10 H new ATOM 0 HG22 VAL A 353 100.783 -6.822 -3.306 1.00 1.10 H new ATOM 0 HG23 VAL A 353 102.467 -6.352 -3.637 1.00 1.10 H new ATOM 552 N ILE A 354 103.844 -10.065 -0.945 1.00 0.79 N ATOM 553 CA ILE A 354 104.160 -11.236 -0.074 1.00 0.84 C ATOM 554 C ILE A 354 104.043 -10.844 1.394 1.00 0.72 C ATOM 555 O ILE A 354 103.527 -11.581 2.204 1.00 0.77 O ATOM 556 CB ILE A 354 105.598 -11.594 -0.411 1.00 0.97 C ATOM 557 CG1 ILE A 354 105.692 -11.992 -1.886 1.00 1.21 C ATOM 558 CG2 ILE A 354 106.055 -12.754 0.473 1.00 1.11 C ATOM 559 CD1 ILE A 354 107.145 -11.896 -2.353 1.00 1.36 C ATOM 0 H ILE A 354 104.624 -9.711 -1.499 1.00 0.79 H new ATOM 0 HA ILE A 354 103.479 -12.071 -0.238 1.00 0.84 H new ATOM 0 HB ILE A 354 106.242 -10.733 -0.231 1.00 0.97 H new ATOM 0 HG12 ILE A 354 105.322 -13.008 -2.023 1.00 1.21 H new ATOM 0 HG13 ILE A 354 105.062 -11.339 -2.490 1.00 1.21 H new ATOM 0 HG21 ILE A 354 107.086 -13.011 0.232 1.00 1.11 H new ATOM 0 HG22 ILE A 354 105.990 -12.461 1.521 1.00 1.11 H new ATOM 0 HG23 ILE A 354 105.415 -13.619 0.298 1.00 1.11 H new ATOM 0 HD11 ILE A 354 107.209 -12.180 -3.403 1.00 1.36 H new ATOM 0 HD12 ILE A 354 107.499 -10.872 -2.231 1.00 1.36 H new ATOM 0 HD13 ILE A 354 107.764 -12.567 -1.757 1.00 1.36 H new ATOM 571 N LEU A 355 104.586 -9.725 1.754 1.00 0.63 N ATOM 572 CA LEU A 355 104.582 -9.325 3.190 1.00 0.62 C ATOM 573 C LEU A 355 103.186 -9.511 3.788 1.00 0.55 C ATOM 574 O LEU A 355 103.019 -10.088 4.842 1.00 0.61 O ATOM 575 CB LEU A 355 104.932 -7.845 3.166 1.00 0.64 C ATOM 576 CG LEU A 355 105.057 -7.319 4.599 1.00 0.73 C ATOM 577 CD1 LEU A 355 106.174 -8.072 5.323 1.00 1.14 C ATOM 578 CD2 LEU A 355 105.392 -5.823 4.569 1.00 1.15 C ATOM 0 H LEU A 355 105.035 -9.064 1.120 1.00 0.63 H new ATOM 0 HA LEU A 355 105.273 -9.918 3.788 1.00 0.62 H new ATOM 0 HB2 LEU A 355 105.868 -7.692 2.630 1.00 0.64 H new ATOM 0 HB3 LEU A 355 104.163 -7.289 2.630 1.00 0.64 H new ATOM 0 HG LEU A 355 104.113 -7.471 5.123 1.00 0.73 H new ATOM 0 HD11 LEU A 355 106.263 -7.698 6.343 1.00 1.14 H new ATOM 0 HD12 LEU A 355 105.940 -9.136 5.346 1.00 1.14 H new ATOM 0 HD13 LEU A 355 107.116 -7.919 4.797 1.00 1.14 H new ATOM 0 HD21 LEU A 355 105.481 -5.449 5.589 1.00 1.15 H new ATOM 0 HD22 LEU A 355 106.335 -5.672 4.044 1.00 1.15 H new ATOM 0 HD23 LEU A 355 104.599 -5.283 4.053 1.00 1.15 H new ATOM 590 N ALA A 356 102.179 -9.037 3.119 1.00 0.52 N ATOM 591 CA ALA A 356 100.796 -9.206 3.649 1.00 0.54 C ATOM 592 C ALA A 356 100.407 -10.690 3.606 1.00 0.53 C ATOM 593 O ALA A 356 99.747 -11.211 4.491 1.00 0.57 O ATOM 594 CB ALA A 356 99.903 -8.376 2.716 1.00 0.61 C ATOM 0 H ALA A 356 102.249 -8.541 2.231 1.00 0.52 H new ATOM 0 HA ALA A 356 100.699 -8.879 4.684 1.00 0.54 H new ATOM 0 HB1 ALA A 356 98.866 -8.451 3.043 1.00 0.61 H new ATOM 0 HB2 ALA A 356 100.218 -7.333 2.744 1.00 0.61 H new ATOM 0 HB3 ALA A 356 99.990 -8.754 1.697 1.00 0.61 H new ATOM 755 N ARG A 365 94.176 -8.583 -3.664 1.00 1.36 N ATOM 756 CA ARG A 365 92.839 -8.507 -4.317 1.00 1.73 C ATOM 757 C ARG A 365 92.999 -8.312 -5.824 1.00 1.59 C ATOM 758 O ARG A 365 93.753 -7.471 -6.273 1.00 1.56 O ATOM 759 CB ARG A 365 92.161 -7.289 -3.689 1.00 1.83 C ATOM 760 CG ARG A 365 91.950 -7.537 -2.193 1.00 2.15 C ATOM 761 CD ARG A 365 91.196 -6.354 -1.581 1.00 2.41 C ATOM 762 NE ARG A 365 89.822 -6.438 -2.151 1.00 3.18 N ATOM 763 CZ ARG A 365 88.941 -5.511 -1.883 1.00 3.60 C ATOM 764 NH1 ARG A 365 89.259 -4.504 -1.113 1.00 4.16 N ATOM 765 NH2 ARG A 365 87.739 -5.592 -2.385 1.00 3.72 N ATOM 0 HA ARG A 365 92.257 -9.417 -4.174 1.00 1.73 H new ATOM 0 HB2 ARG A 365 92.775 -6.401 -3.838 1.00 1.83 H new ATOM 0 HB3 ARG A 365 91.204 -7.101 -4.176 1.00 1.83 H new ATOM 0 HG2 ARG A 365 91.387 -8.458 -2.042 1.00 2.15 H new ATOM 0 HG3 ARG A 365 92.911 -7.666 -1.696 1.00 2.15 H new ATOM 0 HD2 ARG A 365 91.177 -6.418 -0.493 1.00 2.41 H new ATOM 0 HD3 ARG A 365 91.672 -5.407 -1.836 1.00 2.41 H new ATOM 0 HE ARG A 365 89.568 -7.222 -2.752 1.00 3.18 H new ATOM 0 HH11 ARG A 365 90.198 -4.440 -0.719 1.00 4.16 H new ATOM 0 HH12 ARG A 365 88.569 -3.782 -0.906 1.00 4.16 H new ATOM 0 HH21 ARG A 365 87.489 -6.378 -2.985 1.00 3.72 H new ATOM 0 HH22 ARG A 365 87.050 -4.869 -2.177 1.00 3.72 H new ATOM 779 N ASP A 366 92.257 -9.044 -6.609 1.00 1.70 N ATOM 780 CA ASP A 366 92.333 -8.847 -8.083 1.00 1.93 C ATOM 781 C ASP A 366 91.528 -7.618 -8.478 1.00 2.04 C ATOM 782 O ASP A 366 90.373 -7.469 -8.129 1.00 2.65 O ATOM 783 CB ASP A 366 91.727 -10.097 -8.701 1.00 2.62 C ATOM 784 CG ASP A 366 91.972 -10.089 -10.211 1.00 2.50 C ATOM 785 OD1 ASP A 366 92.665 -9.200 -10.675 1.00 2.50 O ATOM 786 OD2 ASP A 366 91.461 -10.975 -10.879 1.00 2.86 O ATOM 0 H ASP A 366 91.606 -9.765 -6.296 1.00 1.70 H new ATOM 0 HA ASP A 366 93.358 -8.694 -8.422 1.00 1.93 H new ATOM 0 HB2 ASP A 366 92.169 -10.988 -8.255 1.00 2.62 H new ATOM 0 HB3 ASP A 366 90.657 -10.135 -8.495 1.00 2.62 H new ATOM 791 N VAL A 367 92.149 -6.726 -9.172 1.00 1.75 N ATOM 792 CA VAL A 367 91.460 -5.469 -9.573 1.00 2.31 C ATOM 793 C VAL A 367 90.407 -5.759 -10.644 1.00 2.53 C ATOM 794 O VAL A 367 89.323 -5.211 -10.627 1.00 3.04 O ATOM 795 CB VAL A 367 92.573 -4.583 -10.128 1.00 2.28 C ATOM 796 CG1 VAL A 367 91.973 -3.304 -10.704 1.00 2.89 C ATOM 797 CG2 VAL A 367 93.547 -4.224 -9.003 1.00 2.52 C ATOM 0 H VAL A 367 93.116 -6.807 -9.487 1.00 1.75 H new ATOM 0 HA VAL A 367 90.934 -4.995 -8.744 1.00 2.31 H new ATOM 0 HB VAL A 367 93.103 -5.120 -10.914 1.00 2.28 H new ATOM 0 HG11 VAL A 367 92.770 -2.674 -11.099 1.00 2.89 H new ATOM 0 HG12 VAL A 367 91.279 -3.557 -11.506 1.00 2.89 H new ATOM 0 HG13 VAL A 367 91.441 -2.766 -9.919 1.00 2.89 H new ATOM 0 HG21 VAL A 367 94.342 -3.592 -9.398 1.00 2.52 H new ATOM 0 HG22 VAL A 367 93.014 -3.689 -8.217 1.00 2.52 H new ATOM 0 HG23 VAL A 367 93.980 -5.136 -8.591 1.00 2.52 H new ATOM 807 N GLN A 368 90.724 -6.606 -11.586 1.00 2.20 N ATOM 808 CA GLN A 368 89.745 -6.915 -12.668 1.00 2.40 C ATOM 809 C GLN A 368 88.598 -7.773 -12.126 1.00 2.11 C ATOM 810 O GLN A 368 87.492 -7.722 -12.627 1.00 2.30 O ATOM 811 CB GLN A 368 90.534 -7.681 -13.726 1.00 2.46 C ATOM 812 CG GLN A 368 89.670 -7.834 -14.978 1.00 3.09 C ATOM 813 CD GLN A 368 90.426 -8.650 -16.028 1.00 3.29 C ATOM 814 OE1 GLN A 368 90.727 -9.807 -15.815 1.00 3.32 O ATOM 815 NE2 GLN A 368 90.751 -8.090 -17.162 1.00 3.69 N ATOM 0 H GLN A 368 91.616 -7.096 -11.653 1.00 2.20 H new ATOM 0 HA GLN A 368 89.296 -6.010 -13.077 1.00 2.40 H new ATOM 0 HB2 GLN A 368 91.455 -7.150 -13.967 1.00 2.46 H new ATOM 0 HB3 GLN A 368 90.822 -8.661 -13.345 1.00 2.46 H new ATOM 0 HG2 GLN A 368 88.731 -8.328 -14.726 1.00 3.09 H new ATOM 0 HG3 GLN A 368 89.416 -6.853 -15.379 1.00 3.09 H new ATOM 0 HE21 GLN A 368 90.499 -7.118 -17.342 1.00 3.69 H new ATOM 0 HE22 GLN A 368 91.257 -8.624 -17.868 1.00 3.69 H new ATOM 824 N SER A 369 88.797 -8.414 -11.007 1.00 1.80 N ATOM 825 CA SER A 369 87.649 -9.089 -10.338 1.00 1.87 C ATOM 826 C SER A 369 86.760 -8.033 -9.682 1.00 1.79 C ATOM 827 O SER A 369 85.551 -8.153 -9.660 1.00 2.27 O ATOM 828 CB SER A 369 88.268 -10.011 -9.289 1.00 2.47 C ATOM 829 OG SER A 369 88.783 -9.227 -8.221 1.00 3.05 O ATOM 0 H SER A 369 89.695 -8.499 -10.531 1.00 1.80 H new ATOM 0 HA SER A 369 87.029 -9.653 -11.035 1.00 1.87 H new ATOM 0 HB2 SER A 369 87.520 -10.710 -8.915 1.00 2.47 H new ATOM 0 HB3 SER A 369 89.064 -10.606 -9.736 1.00 2.47 H new ATOM 0 HG SER A 369 89.298 -8.477 -8.585 1.00 3.05 H new ATOM 835 N LEU A 370 87.336 -6.923 -9.319 1.00 1.38 N ATOM 836 CA LEU A 370 86.509 -5.772 -8.866 1.00 1.39 C ATOM 837 C LEU A 370 86.196 -4.860 -10.054 1.00 1.12 C ATOM 838 O LEU A 370 85.671 -3.777 -9.890 1.00 1.30 O ATOM 839 CB LEU A 370 87.379 -5.030 -7.850 1.00 1.54 C ATOM 840 CG LEU A 370 87.820 -5.992 -6.748 1.00 1.39 C ATOM 841 CD1 LEU A 370 88.647 -5.228 -5.713 1.00 1.80 C ATOM 842 CD2 LEU A 370 86.585 -6.592 -6.072 1.00 2.14 C ATOM 0 H LEU A 370 88.343 -6.763 -9.316 1.00 1.38 H new ATOM 0 HA LEU A 370 85.559 -6.090 -8.436 1.00 1.39 H new ATOM 0 HB2 LEU A 370 88.252 -4.605 -8.346 1.00 1.54 H new ATOM 0 HB3 LEU A 370 86.822 -4.199 -7.418 1.00 1.54 H new ATOM 0 HG LEU A 370 88.422 -6.792 -7.179 1.00 1.39 H new ATOM 0 HD11 LEU A 370 88.964 -5.911 -4.925 1.00 1.80 H new ATOM 0 HD12 LEU A 370 89.525 -4.797 -6.195 1.00 1.80 H new ATOM 0 HD13 LEU A 370 88.042 -4.430 -5.281 1.00 1.80 H new ATOM 0 HD21 LEU A 370 86.898 -7.279 -5.286 1.00 2.14 H new ATOM 0 HD22 LEU A 370 85.984 -5.793 -5.638 1.00 2.14 H new ATOM 0 HD23 LEU A 370 85.992 -7.132 -6.810 1.00 2.14 H new ATOM 854 N HIS A 371 86.665 -5.213 -11.225 1.00 1.29 N ATOM 855 CA HIS A 371 86.553 -4.273 -12.375 1.00 1.13 C ATOM 856 C HIS A 371 87.217 -2.951 -12.000 1.00 1.00 C ATOM 857 O HIS A 371 86.844 -1.892 -12.467 1.00 1.35 O ATOM 858 CB HIS A 371 85.057 -4.074 -12.581 1.00 1.54 C ATOM 859 CG HIS A 371 84.394 -5.406 -12.797 1.00 1.50 C ATOM 860 ND1 HIS A 371 84.871 -6.601 -13.279 1.00 1.97 N flip ATOM 861 CD2 HIS A 371 83.057 -5.624 -12.503 1.00 1.80 C flip ATOM 862 CE1 HIS A 371 83.848 -7.544 -13.285 1.00 2.10 C flip ATOM 863 NE2 HIS A 371 82.777 -6.903 -12.808 1.00 1.80 N flip ATOM 0 H HIS A 371 87.116 -6.104 -11.431 1.00 1.29 H new ATOM 0 HA HIS A 371 87.036 -4.647 -13.278 1.00 1.13 H new ATOM 0 HB2 HIS A 371 84.623 -3.578 -11.713 1.00 1.54 H new ATOM 0 HB3 HIS A 371 84.881 -3.426 -13.440 1.00 1.54 H new ATOM 0 HD1 HIS A 371 85.829 -6.771 -13.586 1.00 1.97 H new ATOM 0 HD2 HIS A 371 82.366 -4.898 -12.102 1.00 1.80 H new ATOM 0 HE1 HIS A 371 83.907 -8.573 -13.606 1.00 2.10 H new ATOM 871 N ALA A 372 88.183 -3.015 -11.134 1.00 0.75 N ATOM 872 CA ALA A 372 88.875 -1.777 -10.677 1.00 0.94 C ATOM 873 C ALA A 372 90.065 -1.463 -11.582 1.00 0.90 C ATOM 874 O ALA A 372 90.140 -1.901 -12.712 1.00 1.04 O ATOM 875 CB ALA A 372 89.345 -2.085 -9.254 1.00 1.12 C ATOM 0 H ALA A 372 88.529 -3.879 -10.717 1.00 0.75 H new ATOM 0 HA ALA A 372 88.220 -0.906 -10.710 1.00 0.94 H new ATOM 0 HB1 ALA A 372 89.866 -1.218 -8.847 1.00 1.12 H new ATOM 0 HB2 ALA A 372 88.483 -2.317 -8.628 1.00 1.12 H new ATOM 0 HB3 ALA A 372 90.021 -2.940 -9.271 1.00 1.12 H new ATOM 881 N THR A 373 90.950 -0.633 -11.114 1.00 0.85 N ATOM 882 CA THR A 373 92.097 -0.191 -11.961 1.00 0.95 C ATOM 883 C THR A 373 93.429 -0.372 -11.228 1.00 0.93 C ATOM 884 O THR A 373 93.560 -0.034 -10.073 1.00 0.95 O ATOM 885 CB THR A 373 91.849 1.294 -12.208 1.00 1.32 C ATOM 886 OG1 THR A 373 90.736 1.454 -13.076 1.00 2.11 O ATOM 887 CG2 THR A 373 93.093 1.932 -12.827 1.00 1.90 C ATOM 0 H THR A 373 90.931 -0.237 -10.174 1.00 0.85 H new ATOM 0 HA THR A 373 92.160 -0.772 -12.881 1.00 0.95 H new ATOM 0 HB THR A 373 91.635 1.787 -11.259 1.00 1.32 H new ATOM 0 HG1 THR A 373 90.577 2.408 -13.232 1.00 2.11 H new ATOM 0 HG21 THR A 373 92.910 2.992 -13.001 1.00 1.90 H new ATOM 0 HG22 THR A 373 93.938 1.816 -12.148 1.00 1.90 H new ATOM 0 HG23 THR A 373 93.320 1.443 -13.774 1.00 1.90 H new ATOM 895 N PHE A 374 94.452 -0.738 -11.942 1.00 1.01 N ATOM 896 CA PHE A 374 95.822 -0.749 -11.344 1.00 1.25 C ATOM 897 C PHE A 374 96.499 0.607 -11.587 1.00 1.63 C ATOM 898 O PHE A 374 96.360 1.192 -12.643 1.00 1.61 O ATOM 899 CB PHE A 374 96.588 -1.835 -12.109 1.00 1.33 C ATOM 900 CG PHE A 374 96.133 -3.214 -11.689 1.00 1.63 C ATOM 901 CD1 PHE A 374 96.443 -3.701 -10.410 1.00 2.53 C ATOM 902 CD2 PHE A 374 95.423 -4.018 -12.591 1.00 1.41 C ATOM 903 CE1 PHE A 374 96.043 -4.991 -10.035 1.00 3.09 C ATOM 904 CE2 PHE A 374 95.020 -5.307 -12.214 1.00 1.89 C ATOM 905 CZ PHE A 374 95.330 -5.794 -10.936 1.00 2.72 C ATOM 0 H PHE A 374 94.404 -1.032 -12.918 1.00 1.01 H new ATOM 0 HA PHE A 374 95.798 -0.934 -10.270 1.00 1.25 H new ATOM 0 HB2 PHE A 374 96.434 -1.708 -13.181 1.00 1.33 H new ATOM 0 HB3 PHE A 374 97.657 -1.729 -11.926 1.00 1.33 H new ATOM 0 HD1 PHE A 374 96.990 -3.082 -9.714 1.00 2.53 H new ATOM 0 HD2 PHE A 374 95.186 -3.645 -13.576 1.00 1.41 H new ATOM 0 HE1 PHE A 374 96.284 -5.366 -9.052 1.00 3.09 H new ATOM 0 HE2 PHE A 374 94.470 -5.925 -12.908 1.00 1.89 H new ATOM 0 HZ PHE A 374 95.020 -6.787 -10.646 1.00 2.72 H new ATOM 915 N VAL A 375 97.355 1.032 -10.698 1.00 2.14 N ATOM 916 CA VAL A 375 98.174 2.250 -10.981 1.00 2.61 C ATOM 917 C VAL A 375 99.641 1.853 -11.182 1.00 2.22 C ATOM 918 O VAL A 375 100.276 1.367 -10.267 1.00 1.65 O ATOM 919 CB VAL A 375 98.030 3.135 -9.745 1.00 3.32 C ATOM 920 CG1 VAL A 375 98.592 4.525 -10.045 1.00 4.00 C ATOM 921 CG2 VAL A 375 96.551 3.251 -9.368 1.00 3.65 C ATOM 0 H VAL A 375 97.524 0.593 -9.793 1.00 2.14 H new ATOM 0 HA VAL A 375 97.846 2.765 -11.884 1.00 2.61 H new ATOM 0 HB VAL A 375 98.581 2.692 -8.915 1.00 3.32 H new ATOM 0 HG11 VAL A 375 98.489 5.157 -9.163 1.00 4.00 H new ATOM 0 HG12 VAL A 375 99.646 4.442 -10.311 1.00 4.00 H new ATOM 0 HG13 VAL A 375 98.042 4.968 -10.875 1.00 4.00 H new ATOM 0 HG21 VAL A 375 96.449 3.883 -8.486 1.00 3.65 H new ATOM 0 HG22 VAL A 375 95.998 3.693 -10.197 1.00 3.65 H new ATOM 0 HG23 VAL A 375 96.152 2.260 -9.153 1.00 3.65 H new ATOM 931 N PRO A 376 100.100 1.995 -12.396 1.00 2.87 N ATOM 932 CA PRO A 376 101.472 1.553 -12.755 1.00 2.67 C ATOM 933 C PRO A 376 102.517 2.181 -11.825 1.00 2.48 C ATOM 934 O PRO A 376 102.357 3.284 -11.343 1.00 3.24 O ATOM 935 CB PRO A 376 101.665 2.042 -14.194 1.00 3.84 C ATOM 936 CG PRO A 376 100.504 2.946 -14.485 1.00 4.63 C ATOM 937 CD PRO A 376 99.398 2.576 -13.538 1.00 4.03 C ATOM 0 HA PRO A 376 101.594 0.474 -12.659 1.00 2.67 H new ATOM 0 HB2 PRO A 376 102.610 2.574 -14.301 1.00 3.84 H new ATOM 0 HB3 PRO A 376 101.691 1.204 -14.890 1.00 3.84 H new ATOM 0 HG2 PRO A 376 100.788 3.990 -14.354 1.00 4.63 H new ATOM 0 HG3 PRO A 376 100.178 2.832 -15.519 1.00 4.63 H new ATOM 0 HD2 PRO A 376 98.812 3.448 -13.247 1.00 4.03 H new ATOM 0 HD3 PRO A 376 98.707 1.863 -13.988 1.00 4.03 H new ATOM 945 N PHE A 377 103.605 1.491 -11.608 1.00 2.13 N ATOM 946 CA PHE A 377 104.698 2.042 -10.752 1.00 3.07 C ATOM 947 C PHE A 377 105.791 2.651 -11.634 1.00 3.61 C ATOM 948 O PHE A 377 106.415 1.971 -12.424 1.00 4.10 O ATOM 949 CB PHE A 377 105.237 0.821 -9.993 1.00 3.15 C ATOM 950 CG PHE A 377 106.388 1.218 -9.089 1.00 3.91 C ATOM 951 CD1 PHE A 377 106.688 2.570 -8.864 1.00 4.01 C ATOM 952 CD2 PHE A 377 107.167 0.221 -8.481 1.00 4.73 C ATOM 953 CE1 PHE A 377 107.761 2.924 -8.036 1.00 4.92 C ATOM 954 CE2 PHE A 377 108.241 0.577 -7.654 1.00 5.70 C ATOM 955 CZ PHE A 377 108.538 1.928 -7.432 1.00 5.79 C ATOM 0 H PHE A 377 103.785 0.562 -11.990 1.00 2.13 H new ATOM 0 HA PHE A 377 104.356 2.829 -10.080 1.00 3.07 H new ATOM 0 HB2 PHE A 377 104.439 0.374 -9.400 1.00 3.15 H new ATOM 0 HB3 PHE A 377 105.570 0.063 -10.702 1.00 3.15 H new ATOM 0 HD1 PHE A 377 106.090 3.339 -9.330 1.00 4.01 H new ATOM 0 HD2 PHE A 377 106.939 -0.821 -8.651 1.00 4.73 H new ATOM 0 HE1 PHE A 377 107.989 3.965 -7.863 1.00 4.92 H new ATOM 0 HE2 PHE A 377 108.840 -0.191 -7.187 1.00 5.70 H new ATOM 0 HZ PHE A 377 109.366 2.201 -6.795 1.00 5.79 H new ATOM 965 N THR A 378 106.081 3.908 -11.446 1.00 3.85 N ATOM 966 CA THR A 378 107.198 4.531 -12.210 1.00 4.47 C ATOM 967 C THR A 378 108.347 4.873 -11.262 1.00 4.28 C ATOM 968 O THR A 378 108.133 5.291 -10.140 1.00 3.71 O ATOM 969 CB THR A 378 106.606 5.806 -12.817 1.00 4.59 C ATOM 970 OG1 THR A 378 106.282 6.716 -11.775 1.00 4.26 O ATOM 971 CG2 THR A 378 105.344 5.460 -13.608 1.00 5.29 C ATOM 0 H THR A 378 105.595 4.529 -10.799 1.00 3.85 H new ATOM 0 HA THR A 378 107.598 3.867 -12.976 1.00 4.47 H new ATOM 0 HB THR A 378 107.335 6.263 -13.486 1.00 4.59 H new ATOM 0 HG1 THR A 378 105.904 7.534 -12.161 1.00 4.26 H new ATOM 0 HG21 THR A 378 104.924 6.369 -14.039 1.00 5.29 H new ATOM 0 HG22 THR A 378 105.595 4.762 -14.407 1.00 5.29 H new ATOM 0 HG23 THR A 378 104.612 5.002 -12.943 1.00 5.29 H new ATOM 979 N ALA A 379 109.562 4.681 -11.698 1.00 5.01 N ATOM 980 CA ALA A 379 110.730 4.974 -10.817 1.00 5.10 C ATOM 981 C ALA A 379 110.962 6.485 -10.724 1.00 5.05 C ATOM 982 O ALA A 379 111.497 6.980 -9.754 1.00 5.37 O ATOM 983 CB ALA A 379 111.918 4.290 -11.495 1.00 6.13 C ATOM 0 H ALA A 379 109.797 4.333 -12.628 1.00 5.01 H new ATOM 0 HA ALA A 379 110.578 4.615 -9.799 1.00 5.10 H new ATOM 0 HB1 ALA A 379 112.820 4.459 -10.906 1.00 6.13 H new ATOM 0 HB2 ALA A 379 111.728 3.219 -11.568 1.00 6.13 H new ATOM 0 HB3 ALA A 379 112.054 4.704 -12.494 1.00 6.13 H new ATOM 989 N GLN A 380 110.611 7.215 -11.750 1.00 4.87 N ATOM 990 CA GLN A 380 110.868 8.683 -11.738 1.00 4.93 C ATOM 991 C GLN A 380 110.211 9.317 -10.511 1.00 4.05 C ATOM 992 O GLN A 380 110.842 10.028 -9.754 1.00 3.84 O ATOM 993 CB GLN A 380 110.219 9.204 -13.020 1.00 5.65 C ATOM 994 CG GLN A 380 110.937 8.609 -14.234 1.00 6.07 C ATOM 995 CD GLN A 380 110.294 9.129 -15.525 1.00 7.03 C ATOM 996 OE1 GLN A 380 109.108 9.676 -15.483 1.00 7.74 O flip ATOM 997 NE2 GLN A 380 110.874 9.023 -16.587 1.00 7.22 N flip ATOM 0 H GLN A 380 110.159 6.859 -12.592 1.00 4.87 H new ATOM 0 HA GLN A 380 111.931 8.921 -11.692 1.00 4.93 H new ATOM 0 HB2 GLN A 380 109.163 8.935 -13.041 1.00 5.65 H new ATOM 0 HB3 GLN A 380 110.271 10.292 -13.050 1.00 5.65 H new ATOM 0 HG2 GLN A 380 111.993 8.876 -14.210 1.00 6.07 H new ATOM 0 HG3 GLN A 380 110.883 7.521 -14.203 1.00 6.07 H new ATOM 0 HE21 GLN A 380 111.800 8.596 -16.622 1.00 7.22 H new ATOM 0 HE22 GLN A 380 110.435 9.361 -17.444 1.00 7.22 H new ATOM 1006 N SER A 381 108.982 8.971 -10.246 1.00 3.64 N ATOM 1007 CA SER A 381 108.327 9.449 -8.997 1.00 3.06 C ATOM 1008 C SER A 381 108.544 8.430 -7.877 1.00 2.42 C ATOM 1009 O SER A 381 108.355 8.723 -6.715 1.00 3.00 O ATOM 1010 CB SER A 381 106.842 9.557 -9.344 1.00 3.49 C ATOM 1011 OG SER A 381 106.670 10.521 -10.373 1.00 3.82 O ATOM 0 H SER A 381 108.403 8.378 -10.840 1.00 3.64 H new ATOM 0 HA SER A 381 108.731 10.400 -8.651 1.00 3.06 H new ATOM 0 HB2 SER A 381 106.461 8.589 -9.669 1.00 3.49 H new ATOM 0 HB3 SER A 381 106.270 9.844 -8.461 1.00 3.49 H new ATOM 0 HG SER A 381 105.719 10.592 -10.599 1.00 3.82 H new ATOM 1017 N ARG A 382 108.864 7.215 -8.234 1.00 1.65 N ATOM 1018 CA ARG A 382 109.001 6.140 -7.208 1.00 1.74 C ATOM 1019 C ARG A 382 107.641 5.875 -6.562 1.00 1.57 C ATOM 1020 O ARG A 382 107.487 5.981 -5.361 1.00 2.08 O ATOM 1021 CB ARG A 382 109.984 6.689 -6.170 1.00 2.53 C ATOM 1022 CG ARG A 382 111.161 7.361 -6.878 1.00 2.69 C ATOM 1023 CD ARG A 382 112.247 7.699 -5.855 1.00 2.89 C ATOM 1024 NE ARG A 382 113.247 8.506 -6.610 1.00 3.36 N ATOM 1025 CZ ARG A 382 112.960 9.725 -6.985 1.00 3.67 C ATOM 1026 NH1 ARG A 382 111.796 10.245 -6.699 1.00 3.72 N ATOM 1027 NH2 ARG A 382 113.841 10.425 -7.645 1.00 4.25 N ATOM 0 H ARG A 382 109.037 6.920 -9.195 1.00 1.65 H new ATOM 0 HA ARG A 382 109.353 5.201 -7.636 1.00 1.74 H new ATOM 0 HB2 ARG A 382 109.480 7.406 -5.522 1.00 2.53 H new ATOM 0 HB3 ARG A 382 110.344 5.881 -5.533 1.00 2.53 H new ATOM 0 HG2 ARG A 382 111.563 6.700 -7.646 1.00 2.69 H new ATOM 0 HG3 ARG A 382 110.826 8.268 -7.382 1.00 2.69 H new ATOM 0 HD2 ARG A 382 111.838 8.261 -5.016 1.00 2.89 H new ATOM 0 HD3 ARG A 382 112.698 6.796 -5.444 1.00 2.89 H new ATOM 0 HE ARG A 382 114.158 8.106 -6.835 1.00 3.36 H new ATOM 0 HH11 ARG A 382 111.107 9.699 -6.181 1.00 3.72 H new ATOM 0 HH12 ARG A 382 111.576 11.197 -6.994 1.00 3.72 H new ATOM 0 HH21 ARG A 382 114.751 10.021 -7.867 1.00 4.25 H new ATOM 0 HH22 ARG A 382 113.620 11.376 -7.939 1.00 4.25 H new ATOM 1041 N MET A 383 106.632 5.619 -7.351 1.00 1.27 N ATOM 1042 CA MET A 383 105.273 5.455 -6.765 1.00 1.19 C ATOM 1043 C MET A 383 104.436 4.464 -7.574 1.00 1.07 C ATOM 1044 O MET A 383 104.421 4.485 -8.790 1.00 1.14 O ATOM 1045 CB MET A 383 104.647 6.848 -6.820 1.00 1.32 C ATOM 1046 CG MET A 383 105.470 7.813 -5.966 1.00 1.51 C ATOM 1047 SD MET A 383 104.626 9.412 -5.879 1.00 2.09 S ATOM 1048 CE MET A 383 103.282 8.901 -4.781 1.00 1.57 C ATOM 0 H MET A 383 106.689 5.518 -8.364 1.00 1.27 H new ATOM 0 HA MET A 383 105.320 5.060 -5.750 1.00 1.19 H new ATOM 0 HB2 MET A 383 104.609 7.200 -7.851 1.00 1.32 H new ATOM 0 HB3 MET A 383 103.620 6.811 -6.458 1.00 1.32 H new ATOM 0 HG2 MET A 383 105.604 7.405 -4.964 1.00 1.51 H new ATOM 0 HG3 MET A 383 106.464 7.937 -6.395 1.00 1.51 H new ATOM 0 HE1 MET A 383 102.331 8.985 -5.307 1.00 1.57 H new ATOM 0 HE2 MET A 383 103.437 7.867 -4.474 1.00 1.57 H new ATOM 0 HE3 MET A 383 103.268 9.543 -3.900 1.00 1.57 H new ATOM 1058 N SER A 384 103.636 3.703 -6.889 1.00 0.97 N ATOM 1059 CA SER A 384 102.654 2.811 -7.559 1.00 1.02 C ATOM 1060 C SER A 384 101.408 2.731 -6.682 1.00 0.93 C ATOM 1061 O SER A 384 101.415 3.187 -5.561 1.00 0.83 O ATOM 1062 CB SER A 384 103.341 1.451 -7.640 1.00 1.23 C ATOM 1063 OG SER A 384 103.320 0.840 -6.356 1.00 1.18 O ATOM 0 H SER A 384 103.621 3.660 -5.870 1.00 0.97 H new ATOM 0 HA SER A 384 102.355 3.160 -8.547 1.00 1.02 H new ATOM 0 HB2 SER A 384 102.833 0.816 -8.366 1.00 1.23 H new ATOM 0 HB3 SER A 384 104.369 1.569 -7.983 1.00 1.23 H new ATOM 0 HG SER A 384 103.759 -0.035 -6.403 1.00 1.18 H new ATOM 1069 N GLY A 385 100.331 2.196 -7.170 1.00 1.02 N ATOM 1070 CA GLY A 385 99.107 2.152 -6.324 1.00 1.00 C ATOM 1071 C GLY A 385 97.979 1.450 -7.061 1.00 0.95 C ATOM 1072 O GLY A 385 98.181 0.754 -8.034 1.00 1.13 O ATOM 0 H GLY A 385 100.241 1.792 -8.102 1.00 1.02 H new ATOM 0 HA2 GLY A 385 99.321 1.630 -5.391 1.00 1.00 H new ATOM 0 HA3 GLY A 385 98.803 3.165 -6.060 1.00 1.00 H new ATOM 1076 N ILE A 386 96.786 1.655 -6.604 1.00 0.80 N ATOM 1077 CA ILE A 386 95.607 1.040 -7.257 1.00 0.78 C ATOM 1078 C ILE A 386 94.431 2.000 -7.160 1.00 0.77 C ATOM 1079 O ILE A 386 94.289 2.722 -6.198 1.00 0.80 O ATOM 1080 CB ILE A 386 95.346 -0.218 -6.444 1.00 0.81 C ATOM 1081 CG1 ILE A 386 94.149 -0.985 -6.993 1.00 0.86 C ATOM 1082 CG2 ILE A 386 95.051 0.167 -5.001 1.00 0.84 C ATOM 1083 CD1 ILE A 386 94.007 -2.263 -6.175 1.00 1.26 C ATOM 0 H ILE A 386 96.572 2.233 -5.791 1.00 0.80 H new ATOM 0 HA ILE A 386 95.758 0.818 -8.313 1.00 0.78 H new ATOM 0 HB ILE A 386 96.232 -0.851 -6.502 1.00 0.81 H new ATOM 0 HG12 ILE A 386 93.243 -0.383 -6.923 1.00 0.86 H new ATOM 0 HG13 ILE A 386 94.295 -1.219 -8.047 1.00 0.86 H new ATOM 0 HG21 ILE A 386 94.863 -0.733 -4.415 1.00 0.84 H new ATOM 0 HG22 ILE A 386 95.906 0.699 -4.584 1.00 0.84 H new ATOM 0 HG23 ILE A 386 94.172 0.811 -4.969 1.00 0.84 H new ATOM 0 HD11 ILE A 386 93.157 -2.838 -6.543 1.00 1.26 H new ATOM 0 HD12 ILE A 386 94.915 -2.858 -6.269 1.00 1.26 H new ATOM 0 HD13 ILE A 386 93.847 -2.008 -5.127 1.00 1.26 H new ATOM 1095 N ASN A 387 93.519 1.919 -8.067 1.00 0.78 N ATOM 1096 CA ASN A 387 92.278 2.720 -7.921 1.00 0.83 C ATOM 1097 C ASN A 387 91.077 1.798 -8.045 1.00 0.92 C ATOM 1098 O ASN A 387 90.848 1.207 -9.076 1.00 0.86 O ATOM 1099 CB ASN A 387 92.299 3.722 -9.069 1.00 0.91 C ATOM 1100 CG ASN A 387 93.637 4.454 -9.074 1.00 1.31 C ATOM 1101 OD1 ASN A 387 94.271 4.616 -7.949 1.00 2.04 O flip ATOM 1102 ND2 ASN A 387 94.111 4.878 -10.109 1.00 1.81 N flip ATOM 0 H ASN A 387 93.571 1.337 -8.903 1.00 0.78 H new ATOM 0 HA ASN A 387 92.217 3.225 -6.957 1.00 0.83 H new ATOM 0 HB2 ASN A 387 92.149 3.208 -10.018 1.00 0.91 H new ATOM 0 HB3 ASN A 387 91.482 4.435 -8.960 1.00 0.91 H new ATOM 0 HD21 ASN A 387 93.612 4.749 -10.989 1.00 1.81 H new ATOM 0 HD22 ASN A 387 95.008 5.363 -10.098 1.00 1.81 H new ATOM 1109 N ILE A 388 90.445 1.503 -6.959 1.00 1.18 N ATOM 1110 CA ILE A 388 89.426 0.427 -6.980 1.00 1.31 C ATOM 1111 C ILE A 388 88.051 1.044 -6.751 1.00 1.70 C ATOM 1112 O ILE A 388 87.945 2.192 -6.369 1.00 1.89 O ATOM 1113 CB ILE A 388 89.849 -0.497 -5.837 1.00 1.24 C ATOM 1114 CG1 ILE A 388 89.141 -1.858 -5.935 1.00 1.66 C ATOM 1115 CG2 ILE A 388 89.544 0.163 -4.501 1.00 1.50 C ATOM 1116 CD1 ILE A 388 87.642 -1.710 -5.675 1.00 2.11 C ATOM 0 H ILE A 388 90.586 1.957 -6.056 1.00 1.18 H new ATOM 0 HA ILE A 388 89.362 -0.117 -7.922 1.00 1.31 H new ATOM 0 HB ILE A 388 90.922 -0.672 -5.914 1.00 1.24 H new ATOM 0 HG12 ILE A 388 89.303 -2.287 -6.924 1.00 1.66 H new ATOM 0 HG13 ILE A 388 89.573 -2.551 -5.213 1.00 1.66 H new ATOM 0 HG21 ILE A 388 89.847 -0.499 -3.690 1.00 1.50 H new ATOM 0 HG22 ILE A 388 90.091 1.103 -4.426 1.00 1.50 H new ATOM 0 HG23 ILE A 388 88.474 0.360 -4.428 1.00 1.50 H new ATOM 0 HD11 ILE A 388 87.162 -2.686 -5.750 1.00 2.11 H new ATOM 0 HD12 ILE A 388 87.484 -1.303 -4.676 1.00 2.11 H new ATOM 0 HD13 ILE A 388 87.209 -1.035 -6.414 1.00 2.11 H new ATOM 1128 N ASP A 389 87.022 0.396 -7.204 1.00 1.97 N ATOM 1129 CA ASP A 389 85.687 1.071 -7.273 1.00 2.37 C ATOM 1130 C ASP A 389 85.131 1.485 -5.891 1.00 2.14 C ATOM 1131 O ASP A 389 84.052 2.038 -5.811 1.00 2.92 O ATOM 1132 CB ASP A 389 84.775 0.023 -7.904 1.00 2.65 C ATOM 1133 CG ASP A 389 85.182 -0.199 -9.361 1.00 3.31 C ATOM 1134 OD1 ASP A 389 85.966 0.588 -9.864 1.00 3.85 O ATOM 1135 OD2 ASP A 389 84.701 -1.153 -9.951 1.00 3.63 O ATOM 0 H ASP A 389 87.039 -0.570 -7.531 1.00 1.97 H new ATOM 0 HA ASP A 389 85.757 2.002 -7.836 1.00 2.37 H new ATOM 0 HB2 ASP A 389 84.842 -0.913 -7.350 1.00 2.65 H new ATOM 0 HB3 ASP A 389 83.737 0.351 -7.852 1.00 2.65 H new ATOM 1140 N ASN A 390 85.890 1.370 -4.831 1.00 1.20 N ATOM 1141 CA ASN A 390 85.419 1.927 -3.528 1.00 1.12 C ATOM 1142 C ASN A 390 86.574 2.599 -2.762 1.00 0.97 C ATOM 1143 O ASN A 390 86.419 2.989 -1.623 1.00 1.15 O ATOM 1144 CB ASN A 390 84.896 0.719 -2.751 1.00 1.13 C ATOM 1145 CG ASN A 390 84.011 1.197 -1.599 1.00 1.53 C ATOM 1146 OD1 ASN A 390 83.550 2.321 -1.597 1.00 2.33 O ATOM 1147 ND2 ASN A 390 83.751 0.384 -0.611 1.00 1.89 N ATOM 0 H ASN A 390 86.805 0.920 -4.811 1.00 1.20 H new ATOM 0 HA ASN A 390 84.657 2.693 -3.668 1.00 1.12 H new ATOM 0 HB2 ASN A 390 84.328 0.066 -3.413 1.00 1.13 H new ATOM 0 HB3 ASN A 390 85.730 0.133 -2.364 1.00 1.13 H new ATOM 0 HD21 ASN A 390 83.161 0.693 0.162 1.00 1.89 H new ATOM 0 HD22 ASN A 390 84.138 -0.560 -0.612 1.00 1.89 H new ATOM 1154 N ARG A 391 87.759 2.627 -3.324 1.00 0.83 N ATOM 1155 CA ARG A 391 88.935 3.141 -2.559 1.00 0.73 C ATOM 1156 C ARG A 391 90.043 3.596 -3.509 1.00 0.74 C ATOM 1157 O ARG A 391 90.174 3.091 -4.603 1.00 1.10 O ATOM 1158 CB ARG A 391 89.423 1.954 -1.719 1.00 0.94 C ATOM 1159 CG ARG A 391 88.390 1.615 -0.640 1.00 1.05 C ATOM 1160 CD ARG A 391 88.947 0.531 0.290 1.00 1.30 C ATOM 1161 NE ARG A 391 89.276 -0.618 -0.607 1.00 1.92 N ATOM 1162 CZ ARG A 391 90.471 -0.754 -1.132 1.00 2.13 C ATOM 1163 NH1 ARG A 391 91.422 0.113 -0.890 1.00 2.15 N ATOM 1164 NH2 ARG A 391 90.717 -1.772 -1.910 1.00 2.69 N ATOM 0 H ARG A 391 87.960 2.317 -4.275 1.00 0.83 H new ATOM 0 HA ARG A 391 88.667 4.001 -1.945 1.00 0.73 H new ATOM 0 HB2 ARG A 391 89.589 1.088 -2.360 1.00 0.94 H new ATOM 0 HB3 ARG A 391 90.380 2.195 -1.255 1.00 0.94 H new ATOM 0 HG2 ARG A 391 88.144 2.508 -0.066 1.00 1.05 H new ATOM 0 HG3 ARG A 391 87.466 1.270 -1.104 1.00 1.05 H new ATOM 0 HD2 ARG A 391 89.832 0.883 0.821 1.00 1.30 H new ATOM 0 HD3 ARG A 391 88.215 0.245 1.045 1.00 1.30 H new ATOM 0 HE ARG A 391 88.557 -1.311 -0.815 1.00 1.92 H new ATOM 0 HH11 ARG A 391 91.241 0.913 -0.283 1.00 2.15 H new ATOM 0 HH12 ARG A 391 92.344 -0.011 -1.308 1.00 2.15 H new ATOM 0 HH21 ARG A 391 89.984 -2.453 -2.105 1.00 2.69 H new ATOM 0 HH22 ARG A 391 91.643 -1.886 -2.323 1.00 2.69 H new ATOM 1178 N MET A 392 90.972 4.362 -3.011 1.00 0.48 N ATOM 1179 CA MET A 392 92.213 4.622 -3.796 1.00 0.51 C ATOM 1180 C MET A 392 93.437 4.356 -2.916 1.00 0.48 C ATOM 1181 O MET A 392 93.469 4.731 -1.761 1.00 0.52 O ATOM 1182 CB MET A 392 92.138 6.097 -4.192 1.00 0.59 C ATOM 1183 CG MET A 392 90.912 6.325 -5.077 1.00 1.14 C ATOM 1184 SD MET A 392 90.936 8.020 -5.715 1.00 1.31 S ATOM 1185 CE MET A 392 92.285 7.796 -6.899 1.00 2.02 C ATOM 0 H MET A 392 90.928 4.818 -2.100 1.00 0.48 H new ATOM 0 HA MET A 392 92.298 3.980 -4.673 1.00 0.51 H new ATOM 0 HB2 MET A 392 92.078 6.721 -3.301 1.00 0.59 H new ATOM 0 HB3 MET A 392 93.043 6.388 -4.724 1.00 0.59 H new ATOM 0 HG2 MET A 392 90.909 5.614 -5.903 1.00 1.14 H new ATOM 0 HG3 MET A 392 90.000 6.153 -4.505 1.00 1.14 H new ATOM 0 HE1 MET A 392 92.003 8.230 -7.858 1.00 2.02 H new ATOM 0 HE2 MET A 392 93.182 8.290 -6.526 1.00 2.02 H new ATOM 0 HE3 MET A 392 92.484 6.732 -7.027 1.00 2.02 H new ATOM 1195 N ILE A 393 94.463 3.758 -3.458 1.00 0.45 N ATOM 1196 CA ILE A 393 95.693 3.534 -2.642 1.00 0.45 C ATOM 1197 C ILE A 393 96.926 4.027 -3.403 1.00 0.50 C ATOM 1198 O ILE A 393 97.094 3.744 -4.569 1.00 0.60 O ATOM 1199 CB ILE A 393 95.767 2.021 -2.418 1.00 0.43 C ATOM 1200 CG1 ILE A 393 94.436 1.515 -1.858 1.00 1.21 C ATOM 1201 CG2 ILE A 393 96.886 1.718 -1.417 1.00 0.98 C ATOM 1202 CD1 ILE A 393 94.071 2.307 -0.601 1.00 1.68 C ATOM 0 H ILE A 393 94.505 3.418 -4.419 1.00 0.45 H new ATOM 0 HA ILE A 393 95.661 4.077 -1.697 1.00 0.45 H new ATOM 0 HB ILE A 393 95.971 1.522 -3.366 1.00 0.43 H new ATOM 0 HG12 ILE A 393 93.651 1.621 -2.607 1.00 1.21 H new ATOM 0 HG13 ILE A 393 94.510 0.453 -1.622 1.00 1.21 H new ATOM 0 HG21 ILE A 393 96.945 0.642 -1.252 1.00 0.98 H new ATOM 0 HG22 ILE A 393 97.836 2.077 -1.813 1.00 0.98 H new ATOM 0 HG23 ILE A 393 96.675 2.219 -0.472 1.00 0.98 H new ATOM 0 HD11 ILE A 393 93.123 1.944 -0.205 1.00 1.68 H new ATOM 0 HD12 ILE A 393 94.851 2.178 0.150 1.00 1.68 H new ATOM 0 HD13 ILE A 393 93.979 3.364 -0.851 1.00 1.68 H new ATOM 1214 N ARG A 394 97.846 4.650 -2.720 1.00 0.63 N ATOM 1215 CA ARG A 394 99.131 5.028 -3.377 1.00 0.72 C ATOM 1216 C ARG A 394 100.306 4.757 -2.433 1.00 0.60 C ATOM 1217 O ARG A 394 100.227 4.984 -1.246 1.00 0.54 O ATOM 1218 CB ARG A 394 99.005 6.522 -3.674 1.00 0.78 C ATOM 1219 CG ARG A 394 97.893 6.747 -4.701 1.00 1.27 C ATOM 1220 CD ARG A 394 98.346 6.223 -6.066 1.00 1.04 C ATOM 1221 NE ARG A 394 99.458 7.127 -6.473 1.00 1.47 N ATOM 1222 CZ ARG A 394 100.326 6.741 -7.370 1.00 1.92 C ATOM 1223 NH1 ARG A 394 100.225 5.560 -7.920 1.00 2.78 N ATOM 1224 NH2 ARG A 394 101.298 7.538 -7.721 1.00 2.09 N ATOM 0 H ARG A 394 97.765 4.914 -1.738 1.00 0.63 H new ATOM 0 HA ARG A 394 99.317 4.453 -4.284 1.00 0.72 H new ATOM 0 HB2 ARG A 394 98.784 7.068 -2.757 1.00 0.78 H new ATOM 0 HB3 ARG A 394 99.950 6.909 -4.055 1.00 0.78 H new ATOM 0 HG2 ARG A 394 96.984 6.235 -4.386 1.00 1.27 H new ATOM 0 HG3 ARG A 394 97.654 7.808 -4.768 1.00 1.27 H new ATOM 0 HD2 ARG A 394 98.682 5.188 -6.000 1.00 1.04 H new ATOM 0 HD3 ARG A 394 97.531 6.248 -6.789 1.00 1.04 H new ATOM 0 HE ARG A 394 99.542 8.051 -6.050 1.00 1.47 H new ATOM 0 HH11 ARG A 394 99.466 4.935 -7.650 1.00 2.78 H new ATOM 0 HH12 ARG A 394 100.905 5.263 -8.620 1.00 2.78 H new ATOM 0 HH21 ARG A 394 101.380 8.461 -7.295 1.00 2.09 H new ATOM 0 HH22 ARG A 394 101.976 7.238 -8.421 1.00 2.09 H new ATOM 1238 N LYS A 395 101.404 4.298 -2.965 1.00 0.63 N ATOM 1239 CA LYS A 395 102.607 4.037 -2.121 1.00 0.58 C ATOM 1240 C LYS A 395 103.866 4.422 -2.897 1.00 0.60 C ATOM 1241 O LYS A 395 103.936 4.252 -4.093 1.00 0.68 O ATOM 1242 CB LYS A 395 102.586 2.532 -1.862 1.00 0.72 C ATOM 1243 CG LYS A 395 103.561 2.186 -0.736 1.00 0.80 C ATOM 1244 CD LYS A 395 104.915 1.808 -1.335 1.00 1.11 C ATOM 1245 CE LYS A 395 104.741 0.616 -2.277 1.00 1.15 C ATOM 1246 NZ LYS A 395 106.085 -0.018 -2.336 1.00 1.57 N ATOM 0 H LYS A 395 101.522 4.090 -3.957 1.00 0.63 H new ATOM 0 HA LYS A 395 102.603 4.610 -1.194 1.00 0.58 H new ATOM 0 HB2 LYS A 395 101.579 2.214 -1.593 1.00 0.72 H new ATOM 0 HB3 LYS A 395 102.859 1.994 -2.770 1.00 0.72 H new ATOM 0 HG2 LYS A 395 103.673 3.036 -0.063 1.00 0.80 H new ATOM 0 HG3 LYS A 395 103.170 1.359 -0.143 1.00 0.80 H new ATOM 0 HD2 LYS A 395 105.334 2.656 -1.877 1.00 1.11 H new ATOM 0 HD3 LYS A 395 105.619 1.558 -0.541 1.00 1.11 H new ATOM 0 HE2 LYS A 395 103.991 -0.080 -1.901 1.00 1.15 H new ATOM 0 HE3 LYS A 395 104.411 0.937 -3.265 1.00 1.15 H new ATOM 0 HZ1 LYS A 395 106.012 -0.942 -2.807 1.00 1.57 H new ATOM 0 HZ2 LYS A 395 106.734 0.593 -2.871 1.00 1.57 H new ATOM 0 HZ3 LYS A 395 106.450 -0.149 -1.371 1.00 1.57 H new ATOM 1260 N GLY A 396 104.857 4.945 -2.236 1.00 0.56 N ATOM 1261 CA GLY A 396 106.097 5.340 -2.968 1.00 0.60 C ATOM 1262 C GLY A 396 107.108 5.960 -2.006 1.00 0.55 C ATOM 1263 O GLY A 396 107.130 5.653 -0.833 1.00 0.82 O ATOM 0 H GLY A 396 104.867 5.116 -1.231 1.00 0.56 H new ATOM 0 HA2 GLY A 396 106.534 4.467 -3.453 1.00 0.60 H new ATOM 0 HA3 GLY A 396 105.851 6.052 -3.756 1.00 0.60 H new ATOM 1267 N SER A 397 107.997 6.773 -2.513 1.00 0.50 N ATOM 1268 CA SER A 397 109.061 7.337 -1.639 1.00 0.60 C ATOM 1269 C SER A 397 108.475 8.392 -0.699 1.00 0.48 C ATOM 1270 O SER A 397 107.391 8.897 -0.913 1.00 0.61 O ATOM 1271 CB SER A 397 110.090 7.956 -2.587 1.00 0.91 C ATOM 1272 OG SER A 397 109.751 9.315 -2.837 1.00 1.17 O ATOM 0 H SER A 397 108.031 7.068 -3.489 1.00 0.50 H new ATOM 0 HA SER A 397 109.515 6.574 -1.007 1.00 0.60 H new ATOM 0 HB2 SER A 397 111.086 7.894 -2.149 1.00 0.91 H new ATOM 0 HB3 SER A 397 110.118 7.399 -3.524 1.00 0.91 H new ATOM 0 HG SER A 397 110.303 9.898 -2.275 1.00 1.17 H new ATOM 1278 N VAL A 398 109.158 8.691 0.371 1.00 0.53 N ATOM 1279 CA VAL A 398 108.605 9.668 1.347 1.00 0.47 C ATOM 1280 C VAL A 398 108.384 11.014 0.664 1.00 0.51 C ATOM 1281 O VAL A 398 107.296 11.549 0.673 1.00 0.51 O ATOM 1282 CB VAL A 398 109.666 9.791 2.435 1.00 0.46 C ATOM 1283 CG1 VAL A 398 109.240 10.865 3.435 1.00 0.50 C ATOM 1284 CG2 VAL A 398 109.807 8.449 3.152 1.00 0.51 C ATOM 0 H VAL A 398 110.070 8.303 0.610 1.00 0.53 H new ATOM 0 HA VAL A 398 107.645 9.349 1.753 1.00 0.47 H new ATOM 0 HB VAL A 398 110.622 10.068 1.991 1.00 0.46 H new ATOM 0 HG11 VAL A 398 109.996 10.956 4.215 1.00 0.50 H new ATOM 0 HG12 VAL A 398 109.133 11.820 2.920 1.00 0.50 H new ATOM 0 HG13 VAL A 398 108.287 10.586 3.884 1.00 0.50 H new ATOM 0 HG21 VAL A 398 110.565 8.531 3.931 1.00 0.51 H new ATOM 0 HG22 VAL A 398 108.853 8.174 3.601 1.00 0.51 H new ATOM 0 HG23 VAL A 398 110.105 7.683 2.436 1.00 0.51 H new ATOM 1294 N ASP A 399 109.361 11.491 -0.052 1.00 0.55 N ATOM 1295 CA ASP A 399 109.139 12.713 -0.869 1.00 0.62 C ATOM 1296 C ASP A 399 108.038 12.436 -1.889 1.00 0.64 C ATOM 1297 O ASP A 399 107.202 13.269 -2.167 1.00 0.64 O ATOM 1298 CB ASP A 399 110.473 12.972 -1.571 1.00 0.71 C ATOM 1299 CG ASP A 399 111.531 13.351 -0.534 1.00 1.10 C ATOM 1300 OD1 ASP A 399 111.155 13.625 0.594 1.00 1.59 O ATOM 1301 OD2 ASP A 399 112.700 13.363 -0.885 1.00 1.46 O ATOM 0 H ASP A 399 110.298 11.091 -0.107 1.00 0.55 H new ATOM 0 HA ASP A 399 108.830 13.572 -0.274 1.00 0.62 H new ATOM 0 HB2 ASP A 399 110.787 12.083 -2.118 1.00 0.71 H new ATOM 0 HB3 ASP A 399 110.362 13.773 -2.302 1.00 0.71 H new ATOM 1306 N ALA A 400 108.030 11.252 -2.435 1.00 0.70 N ATOM 1307 CA ALA A 400 106.985 10.895 -3.431 1.00 0.76 C ATOM 1308 C ALA A 400 105.587 10.981 -2.805 1.00 0.72 C ATOM 1309 O ALA A 400 104.684 11.568 -3.367 1.00 0.75 O ATOM 1310 CB ALA A 400 107.309 9.454 -3.831 1.00 0.85 C ATOM 0 H ALA A 400 108.705 10.515 -2.233 1.00 0.70 H new ATOM 0 HA ALA A 400 106.982 11.571 -4.286 1.00 0.76 H new ATOM 0 HB1 ALA A 400 106.583 9.109 -4.567 1.00 0.85 H new ATOM 0 HB2 ALA A 400 108.310 9.412 -4.261 1.00 0.85 H new ATOM 0 HB3 ALA A 400 107.265 8.813 -2.950 1.00 0.85 H new ATOM 1316 N ILE A 401 105.380 10.364 -1.673 1.00 0.67 N ATOM 1317 CA ILE A 401 104.013 10.377 -1.073 1.00 0.66 C ATOM 1318 C ILE A 401 103.639 11.779 -0.586 1.00 0.59 C ATOM 1319 O ILE A 401 102.512 12.203 -0.717 1.00 0.64 O ATOM 1320 CB ILE A 401 104.077 9.393 0.095 1.00 0.64 C ATOM 1321 CG1 ILE A 401 104.458 8.002 -0.427 1.00 0.81 C ATOM 1322 CG2 ILE A 401 102.710 9.322 0.778 1.00 0.68 C ATOM 1323 CD1 ILE A 401 103.619 7.665 -1.661 1.00 0.62 C ATOM 0 H ILE A 401 106.088 9.857 -1.142 1.00 0.67 H new ATOM 0 HA ILE A 401 103.251 10.095 -1.800 1.00 0.66 H new ATOM 0 HB ILE A 401 104.826 9.730 0.812 1.00 0.64 H new ATOM 0 HG12 ILE A 401 105.518 7.975 -0.678 1.00 0.81 H new ATOM 0 HG13 ILE A 401 104.296 7.255 0.350 1.00 0.81 H new ATOM 0 HG21 ILE A 401 102.755 8.620 1.611 1.00 0.68 H new ATOM 0 HG22 ILE A 401 102.437 10.310 1.150 1.00 0.68 H new ATOM 0 HG23 ILE A 401 101.962 8.985 0.060 1.00 0.68 H new ATOM 0 HD11 ILE A 401 103.893 6.676 -2.028 1.00 0.62 H new ATOM 0 HD12 ILE A 401 102.562 7.673 -1.396 1.00 0.62 H new ATOM 0 HD13 ILE A 401 103.803 8.405 -2.440 1.00 0.62 H new ATOM 1335 N ARG A 402 104.570 12.514 -0.049 1.00 0.50 N ATOM 1336 CA ARG A 402 104.244 13.893 0.411 1.00 0.47 C ATOM 1337 C ARG A 402 103.727 14.732 -0.762 1.00 0.54 C ATOM 1338 O ARG A 402 102.759 15.454 -0.639 1.00 0.62 O ATOM 1339 CB ARG A 402 105.561 14.459 0.941 1.00 0.44 C ATOM 1340 CG ARG A 402 105.313 15.835 1.562 1.00 1.17 C ATOM 1341 CD ARG A 402 106.634 16.410 2.076 1.00 1.24 C ATOM 1342 NE ARG A 402 106.261 17.681 2.757 1.00 1.71 N ATOM 1343 CZ ARG A 402 107.068 18.220 3.633 1.00 2.17 C ATOM 1344 NH1 ARG A 402 108.208 17.649 3.918 1.00 2.62 N ATOM 1345 NH2 ARG A 402 106.734 19.333 4.226 1.00 2.61 N ATOM 0 H ARG A 402 105.538 12.223 0.091 1.00 0.50 H new ATOM 0 HA ARG A 402 103.465 13.901 1.174 1.00 0.47 H new ATOM 0 HB2 ARG A 402 105.986 13.784 1.684 1.00 0.44 H new ATOM 0 HB3 ARG A 402 106.286 14.539 0.131 1.00 0.44 H new ATOM 0 HG2 ARG A 402 104.876 16.506 0.822 1.00 1.17 H new ATOM 0 HG3 ARG A 402 104.597 15.753 2.380 1.00 1.17 H new ATOM 0 HD2 ARG A 402 107.123 15.721 2.765 1.00 1.24 H new ATOM 0 HD3 ARG A 402 107.331 16.590 1.258 1.00 1.24 H new ATOM 0 HE ARG A 402 105.373 18.133 2.539 1.00 1.71 H new ATOM 0 HH11 ARG A 402 108.472 16.779 3.456 1.00 2.62 H new ATOM 0 HH12 ARG A 402 108.834 18.074 4.602 1.00 2.62 H new ATOM 0 HH21 ARG A 402 105.845 19.781 4.006 1.00 2.61 H new ATOM 0 HH22 ARG A 402 107.362 19.755 4.910 1.00 2.61 H new ATOM 1359 N ARG A 403 104.341 14.617 -1.907 1.00 0.54 N ATOM 1360 CA ARG A 403 103.856 15.385 -3.091 1.00 0.62 C ATOM 1361 C ARG A 403 102.484 14.877 -3.545 1.00 0.72 C ATOM 1362 O ARG A 403 101.615 15.649 -3.898 1.00 0.82 O ATOM 1363 CB ARG A 403 104.903 15.152 -4.171 1.00 0.63 C ATOM 1364 CG ARG A 403 106.220 15.783 -3.727 1.00 0.83 C ATOM 1365 CD ARG A 403 107.082 16.052 -4.954 1.00 0.96 C ATOM 1366 NE ARG A 403 108.408 16.463 -4.413 1.00 1.38 N ATOM 1367 CZ ARG A 403 109.434 16.587 -5.212 1.00 2.01 C ATOM 1368 NH1 ARG A 403 109.306 16.353 -6.490 1.00 2.48 N ATOM 1369 NH2 ARG A 403 110.593 16.947 -4.731 1.00 2.46 N ATOM 0 H ARG A 403 105.155 14.026 -2.075 1.00 0.54 H new ATOM 0 HA ARG A 403 103.732 16.444 -2.866 1.00 0.62 H new ATOM 0 HB2 ARG A 403 105.036 14.084 -4.343 1.00 0.63 H new ATOM 0 HB3 ARG A 403 104.575 15.588 -5.114 1.00 0.63 H new ATOM 0 HG2 ARG A 403 106.030 16.712 -3.190 1.00 0.83 H new ATOM 0 HG3 ARG A 403 106.742 15.118 -3.039 1.00 0.83 H new ATOM 0 HD2 ARG A 403 107.169 15.162 -5.578 1.00 0.96 H new ATOM 0 HD3 ARG A 403 106.649 16.836 -5.576 1.00 0.96 H new ATOM 0 HE ARG A 403 108.515 16.648 -3.416 1.00 1.38 H new ATOM 0 HH11 ARG A 403 108.402 16.072 -6.869 1.00 2.48 H new ATOM 0 HH12 ARG A 403 110.110 16.451 -7.110 1.00 2.48 H new ATOM 0 HH21 ARG A 403 110.696 17.131 -3.733 1.00 2.46 H new ATOM 0 HH22 ARG A 403 111.395 17.044 -5.353 1.00 2.46 H new ATOM 1383 N HIS A 404 102.260 13.594 -3.489 1.00 0.74 N ATOM 1384 CA HIS A 404 100.921 13.058 -3.867 1.00 0.86 C ATOM 1385 C HIS A 404 99.844 13.569 -2.902 1.00 0.84 C ATOM 1386 O HIS A 404 98.760 13.943 -3.308 1.00 0.94 O ATOM 1387 CB HIS A 404 101.061 11.540 -3.769 1.00 0.92 C ATOM 1388 CG HIS A 404 99.769 10.888 -4.179 1.00 1.32 C ATOM 1389 ND1 HIS A 404 99.280 10.511 -5.405 1.00 1.39 N flip ATOM 1390 CD2 HIS A 404 98.790 10.546 -3.260 1.00 2.29 C flip ATOM 1391 CE1 HIS A 404 98.019 9.945 -5.252 1.00 1.88 C flip ATOM 1392 NE2 HIS A 404 97.771 9.990 -3.940 1.00 2.43 N flip ATOM 0 H HIS A 404 102.943 12.894 -3.199 1.00 0.74 H new ATOM 0 HA HIS A 404 100.618 13.375 -4.865 1.00 0.86 H new ATOM 0 HB2 HIS A 404 101.873 11.197 -4.410 1.00 0.92 H new ATOM 0 HB3 HIS A 404 101.318 11.253 -2.749 1.00 0.92 H new ATOM 0 HD2 HIS A 404 98.837 10.698 -2.192 1.00 2.29 H new ATOM 0 HE1 HIS A 404 97.378 9.553 -6.028 1.00 1.88 H new ATOM 0 HE2 HIS A 404 96.914 9.645 -3.507 1.00 2.43 H new ATOM 1400 N VAL A 405 100.144 13.631 -1.636 1.00 0.76 N ATOM 1401 CA VAL A 405 99.149 14.159 -0.662 1.00 0.79 C ATOM 1402 C VAL A 405 98.869 15.641 -0.932 1.00 0.85 C ATOM 1403 O VAL A 405 97.738 16.076 -0.922 1.00 0.94 O ATOM 1404 CB VAL A 405 99.799 13.973 0.709 1.00 0.76 C ATOM 1405 CG1 VAL A 405 98.913 14.597 1.785 1.00 0.80 C ATOM 1406 CG2 VAL A 405 99.969 12.479 0.992 1.00 0.76 C ATOM 0 H VAL A 405 101.034 13.339 -1.233 1.00 0.76 H new ATOM 0 HA VAL A 405 98.192 13.643 -0.732 1.00 0.79 H new ATOM 0 HB VAL A 405 100.774 14.460 0.717 1.00 0.76 H new ATOM 0 HG11 VAL A 405 99.378 14.463 2.762 1.00 0.80 H new ATOM 0 HG12 VAL A 405 98.791 15.661 1.584 1.00 0.80 H new ATOM 0 HG13 VAL A 405 97.937 14.112 1.779 1.00 0.80 H new ATOM 0 HG21 VAL A 405 100.432 12.344 1.969 1.00 0.76 H new ATOM 0 HG22 VAL A 405 98.993 11.994 0.983 1.00 0.76 H new ATOM 0 HG23 VAL A 405 100.603 12.033 0.225 1.00 0.76 H new ATOM 1416 N GLU A 406 99.886 16.428 -1.135 1.00 0.84 N ATOM 1417 CA GLU A 406 99.661 17.886 -1.355 1.00 0.95 C ATOM 1418 C GLU A 406 98.838 18.125 -2.626 1.00 1.05 C ATOM 1419 O GLU A 406 98.025 19.026 -2.684 1.00 1.19 O ATOM 1420 CB GLU A 406 101.061 18.484 -1.499 1.00 0.91 C ATOM 1421 CG GLU A 406 101.806 18.359 -0.168 1.00 0.88 C ATOM 1422 CD GLU A 406 101.067 19.156 0.908 1.00 1.43 C ATOM 1423 OE1 GLU A 406 100.249 19.985 0.547 1.00 2.16 O ATOM 1424 OE2 GLU A 406 101.332 18.923 2.076 1.00 1.86 O ATOM 0 H GLU A 406 100.861 16.129 -1.159 1.00 0.84 H new ATOM 0 HA GLU A 406 99.102 18.340 -0.537 1.00 0.95 H new ATOM 0 HB2 GLU A 406 101.610 17.967 -2.286 1.00 0.91 H new ATOM 0 HB3 GLU A 406 100.993 19.531 -1.793 1.00 0.91 H new ATOM 0 HG2 GLU A 406 101.876 17.311 0.124 1.00 0.88 H new ATOM 0 HG3 GLU A 406 102.826 18.729 -0.274 1.00 0.88 H new ATOM 1431 N ALA A 407 99.028 17.323 -3.638 1.00 1.02 N ATOM 1432 CA ALA A 407 98.237 17.509 -4.890 1.00 1.17 C ATOM 1433 C ALA A 407 96.762 17.218 -4.615 1.00 1.32 C ATOM 1434 O ALA A 407 95.891 17.996 -4.949 1.00 1.53 O ATOM 1435 CB ALA A 407 98.811 16.493 -5.877 1.00 1.12 C ATOM 0 H ALA A 407 99.693 16.550 -3.653 1.00 1.02 H new ATOM 0 HA ALA A 407 98.299 18.526 -5.277 1.00 1.17 H new ATOM 0 HB1 ALA A 407 98.280 16.567 -6.826 1.00 1.12 H new ATOM 0 HB2 ALA A 407 99.869 16.699 -6.036 1.00 1.12 H new ATOM 0 HB3 ALA A 407 98.694 15.487 -5.473 1.00 1.12 H new ATOM 1441 N ASN A 408 96.499 16.186 -3.865 1.00 1.23 N ATOM 1442 CA ASN A 408 95.113 15.935 -3.397 1.00 1.37 C ATOM 1443 C ASN A 408 94.700 17.039 -2.430 1.00 1.44 C ATOM 1444 O ASN A 408 93.531 17.294 -2.214 1.00 1.60 O ATOM 1445 CB ASN A 408 95.191 14.589 -2.682 1.00 1.27 C ATOM 1446 CG ASN A 408 95.431 13.479 -3.707 1.00 1.88 C ATOM 1447 OD1 ASN A 408 95.224 13.672 -4.889 1.00 2.75 O ATOM 1448 ND2 ASN A 408 95.864 12.316 -3.302 1.00 2.02 N ATOM 0 H ASN A 408 97.190 15.503 -3.555 1.00 1.23 H new ATOM 0 HA ASN A 408 94.381 15.923 -4.204 1.00 1.37 H new ATOM 0 HB2 ASN A 408 95.997 14.601 -1.948 1.00 1.27 H new ATOM 0 HB3 ASN A 408 94.266 14.401 -2.137 1.00 1.27 H new ATOM 0 HD21 ASN A 408 96.029 11.570 -3.977 1.00 2.02 H new ATOM 0 HD22 ASN A 408 96.038 12.154 -2.310 1.00 2.02 H new ATOM 1455 N GLY A 409 95.661 17.638 -1.788 1.00 1.37 N ATOM 1456 CA GLY A 409 95.355 18.661 -0.759 1.00 1.51 C ATOM 1457 C GLY A 409 95.369 18.009 0.624 1.00 1.69 C ATOM 1458 O GLY A 409 94.809 18.523 1.571 1.00 2.28 O ATOM 0 H GLY A 409 96.654 17.459 -1.935 1.00 1.37 H new ATOM 0 HA2 GLY A 409 96.089 19.466 -0.801 1.00 1.51 H new ATOM 0 HA3 GLY A 409 94.380 19.108 -0.953 1.00 1.51 H new ATOM 1462 N GLY A 410 96.049 16.901 0.755 1.00 1.39 N ATOM 1463 CA GLY A 410 96.150 16.238 2.086 1.00 1.72 C ATOM 1464 C GLY A 410 97.403 16.737 2.808 1.00 1.26 C ATOM 1465 O GLY A 410 98.074 17.642 2.351 1.00 1.69 O ATOM 0 H GLY A 410 96.539 16.427 -0.004 1.00 1.39 H new ATOM 0 HA2 GLY A 410 95.263 16.455 2.681 1.00 1.72 H new ATOM 0 HA3 GLY A 410 96.194 15.156 1.963 1.00 1.72 H new ATOM 1469 N HIS A 411 97.750 16.130 3.910 1.00 0.88 N ATOM 1470 CA HIS A 411 98.991 16.545 4.629 1.00 1.32 C ATOM 1471 C HIS A 411 99.738 15.317 5.158 1.00 1.27 C ATOM 1472 O HIS A 411 99.149 14.290 5.427 1.00 1.52 O ATOM 1473 CB HIS A 411 98.506 17.420 5.785 1.00 1.83 C ATOM 1474 CG HIS A 411 97.789 18.624 5.237 1.00 2.66 C ATOM 1475 ND1 HIS A 411 98.456 19.644 4.577 1.00 3.39 N ATOM 1476 CD2 HIS A 411 96.465 18.985 5.246 1.00 3.34 C ATOM 1477 CE1 HIS A 411 97.538 20.560 4.217 1.00 4.16 C ATOM 1478 NE2 HIS A 411 96.308 20.208 4.601 1.00 4.13 N ATOM 0 H HIS A 411 97.231 15.367 4.344 1.00 0.88 H new ATOM 0 HA HIS A 411 99.685 17.078 3.978 1.00 1.32 H new ATOM 0 HB2 HIS A 411 97.839 16.850 6.432 1.00 1.83 H new ATOM 0 HB3 HIS A 411 99.352 17.734 6.397 1.00 1.83 H new ATOM 0 HD2 HIS A 411 95.666 18.407 5.687 1.00 3.34 H new ATOM 0 HE1 HIS A 411 97.768 21.470 3.682 1.00 4.16 H new ATOM 0 HE2 HIS A 411 95.441 20.724 4.453 1.00 4.13 H new ATOM 1486 N PHE A 412 101.028 15.426 5.329 1.00 1.04 N ATOM 1487 CA PHE A 412 101.811 14.275 5.866 1.00 1.06 C ATOM 1488 C PHE A 412 101.980 14.414 7.384 1.00 1.03 C ATOM 1489 O PHE A 412 102.672 15.295 7.854 1.00 1.05 O ATOM 1490 CB PHE A 412 103.167 14.366 5.163 1.00 1.03 C ATOM 1491 CG PHE A 412 103.743 12.982 4.994 1.00 1.36 C ATOM 1492 CD1 PHE A 412 104.178 12.261 6.116 1.00 1.73 C ATOM 1493 CD2 PHE A 412 103.846 12.417 3.715 1.00 1.90 C ATOM 1494 CE1 PHE A 412 104.716 10.977 5.958 1.00 2.70 C ATOM 1495 CE2 PHE A 412 104.384 11.132 3.557 1.00 2.91 C ATOM 1496 CZ PHE A 412 104.819 10.412 4.680 1.00 3.31 C ATOM 0 H PHE A 412 101.574 16.262 5.120 1.00 1.04 H new ATOM 0 HA PHE A 412 101.321 13.318 5.689 1.00 1.06 H new ATOM 0 HB2 PHE A 412 103.052 14.844 4.190 1.00 1.03 H new ATOM 0 HB3 PHE A 412 103.849 14.986 5.745 1.00 1.03 H new ATOM 0 HD1 PHE A 412 104.098 12.696 7.101 1.00 1.73 H new ATOM 0 HD2 PHE A 412 103.511 12.972 2.851 1.00 1.90 H new ATOM 0 HE1 PHE A 412 105.052 10.422 6.822 1.00 2.70 H new ATOM 0 HE2 PHE A 412 104.464 10.697 2.572 1.00 2.91 H new ATOM 0 HZ PHE A 412 105.233 9.422 4.559 1.00 3.31 H new ATOM 1506 N PRO A 413 101.293 13.565 8.102 1.00 1.03 N ATOM 1507 CA PRO A 413 101.314 13.622 9.588 1.00 1.06 C ATOM 1508 C PRO A 413 102.737 13.418 10.121 1.00 0.96 C ATOM 1509 O PRO A 413 103.493 12.616 9.609 1.00 0.88 O ATOM 1510 CB PRO A 413 100.407 12.469 10.021 1.00 1.16 C ATOM 1511 CG PRO A 413 99.623 12.088 8.803 1.00 1.23 C ATOM 1512 CD PRO A 413 100.440 12.484 7.604 1.00 1.05 C ATOM 0 HA PRO A 413 100.980 14.586 9.972 1.00 1.06 H new ATOM 0 HB2 PRO A 413 100.993 11.627 10.388 1.00 1.16 H new ATOM 0 HB3 PRO A 413 99.746 12.775 10.832 1.00 1.16 H new ATOM 0 HG2 PRO A 413 99.422 11.017 8.795 1.00 1.23 H new ATOM 0 HG3 PRO A 413 98.657 12.593 8.794 1.00 1.23 H new ATOM 0 HD2 PRO A 413 101.031 11.648 7.230 1.00 1.05 H new ATOM 0 HD3 PRO A 413 99.807 12.820 6.783 1.00 1.05 H new ATOM 1520 N THR A 414 103.096 14.123 11.160 1.00 1.01 N ATOM 1521 CA THR A 414 104.459 13.955 11.746 1.00 0.97 C ATOM 1522 C THR A 414 104.679 12.507 12.179 1.00 0.92 C ATOM 1523 O THR A 414 105.741 11.955 11.996 1.00 0.84 O ATOM 1524 CB THR A 414 104.486 14.893 12.958 1.00 1.09 C ATOM 1525 OG1 THR A 414 105.832 15.106 13.357 1.00 1.63 O ATOM 1526 CG2 THR A 414 103.702 14.272 14.117 1.00 1.75 C ATOM 0 H THR A 414 102.504 14.809 11.629 1.00 1.01 H new ATOM 0 HA THR A 414 105.247 14.190 11.031 1.00 0.97 H new ATOM 0 HB THR A 414 104.028 15.844 12.687 1.00 1.09 H new ATOM 0 HG1 THR A 414 105.853 15.707 14.131 1.00 1.63 H new ATOM 0 HG21 THR A 414 103.726 14.945 14.974 1.00 1.75 H new ATOM 0 HG22 THR A 414 102.668 14.110 13.812 1.00 1.75 H new ATOM 0 HG23 THR A 414 104.153 13.318 14.391 1.00 1.75 H new ATOM 1534 N ASP A 415 103.700 11.896 12.781 1.00 0.99 N ATOM 1535 CA ASP A 415 103.889 10.497 13.253 1.00 0.97 C ATOM 1536 C ASP A 415 104.355 9.610 12.096 1.00 0.83 C ATOM 1537 O ASP A 415 105.207 8.763 12.257 1.00 0.84 O ATOM 1538 CB ASP A 415 102.512 10.053 13.746 1.00 1.08 C ATOM 1539 CG ASP A 415 102.645 8.736 14.513 1.00 1.27 C ATOM 1540 OD1 ASP A 415 103.766 8.287 14.690 1.00 1.87 O ATOM 1541 OD2 ASP A 415 101.624 8.198 14.909 1.00 1.80 O ATOM 0 H ASP A 415 102.782 12.301 12.966 1.00 0.99 H new ATOM 0 HA ASP A 415 104.644 10.424 14.036 1.00 0.97 H new ATOM 0 HB2 ASP A 415 102.080 10.819 14.390 1.00 1.08 H new ATOM 0 HB3 ASP A 415 101.835 9.927 12.901 1.00 1.08 H new ATOM 1546 N VAL A 416 103.809 9.800 10.927 1.00 0.71 N ATOM 1547 CA VAL A 416 104.229 8.964 9.766 1.00 0.60 C ATOM 1548 C VAL A 416 105.644 9.336 9.316 1.00 0.51 C ATOM 1549 O VAL A 416 106.462 8.482 9.050 1.00 0.46 O ATOM 1550 CB VAL A 416 103.210 9.280 8.674 1.00 0.58 C ATOM 1551 CG1 VAL A 416 103.645 8.631 7.357 1.00 0.51 C ATOM 1552 CG2 VAL A 416 101.842 8.730 9.082 1.00 0.71 C ATOM 0 H VAL A 416 103.092 10.496 10.725 1.00 0.71 H new ATOM 0 HA VAL A 416 104.255 7.902 10.008 1.00 0.60 H new ATOM 0 HB VAL A 416 103.147 10.360 8.541 1.00 0.58 H new ATOM 0 HG11 VAL A 416 102.915 8.859 6.580 1.00 0.51 H new ATOM 0 HG12 VAL A 416 104.620 9.020 7.064 1.00 0.51 H new ATOM 0 HG13 VAL A 416 103.710 7.551 7.488 1.00 0.51 H new ATOM 0 HG21 VAL A 416 101.113 8.955 8.304 1.00 0.71 H new ATOM 0 HG22 VAL A 416 101.909 7.650 9.216 1.00 0.71 H new ATOM 0 HG23 VAL A 416 101.528 9.193 10.018 1.00 0.71 H new ATOM 1562 N ASP A 417 105.968 10.597 9.323 1.00 0.53 N ATOM 1563 CA ASP A 417 107.365 11.006 8.996 1.00 0.53 C ATOM 1564 C ASP A 417 108.344 10.400 10.004 1.00 0.58 C ATOM 1565 O ASP A 417 109.392 9.899 9.648 1.00 0.60 O ATOM 1566 CB ASP A 417 107.360 12.531 9.097 1.00 0.61 C ATOM 1567 CG ASP A 417 106.684 13.124 7.860 1.00 1.03 C ATOM 1568 OD1 ASP A 417 106.635 12.439 6.852 1.00 1.15 O ATOM 1569 OD2 ASP A 417 106.235 14.256 7.939 1.00 1.81 O ATOM 0 H ASP A 417 105.330 11.362 9.540 1.00 0.53 H new ATOM 0 HA ASP A 417 107.678 10.664 8.010 1.00 0.53 H new ATOM 0 HB2 ASP A 417 106.832 12.844 9.998 1.00 0.61 H new ATOM 0 HB3 ASP A 417 108.381 12.904 9.180 1.00 0.61 H new ATOM 1574 N GLN A 418 107.971 10.365 11.250 1.00 0.62 N ATOM 1575 CA GLN A 418 108.830 9.711 12.273 1.00 0.68 C ATOM 1576 C GLN A 418 108.952 8.207 12.001 1.00 0.69 C ATOM 1577 O GLN A 418 110.021 7.645 12.084 1.00 0.81 O ATOM 1578 CB GLN A 418 108.114 9.979 13.598 1.00 0.73 C ATOM 1579 CG GLN A 418 108.220 11.465 13.945 1.00 1.31 C ATOM 1580 CD GLN A 418 107.476 11.738 15.253 1.00 1.86 C ATOM 1581 OE1 GLN A 418 106.680 10.931 15.693 1.00 1.96 O ATOM 1582 NE2 GLN A 418 107.701 12.850 15.899 1.00 2.60 N ATOM 0 H GLN A 418 107.102 10.764 11.607 1.00 0.62 H new ATOM 0 HA GLN A 418 109.849 10.097 12.272 1.00 0.68 H new ATOM 0 HB2 GLN A 418 107.067 9.686 13.523 1.00 0.73 H new ATOM 0 HB3 GLN A 418 108.557 9.377 14.391 1.00 0.73 H new ATOM 0 HG2 GLN A 418 109.267 11.753 14.043 1.00 1.31 H new ATOM 0 HG3 GLN A 418 107.798 12.068 13.141 1.00 1.31 H new ATOM 0 HE21 GLN A 418 108.369 13.528 15.531 1.00 2.60 H new ATOM 0 HE22 GLN A 418 107.209 13.041 16.772 1.00 2.60 H new ATOM 1591 N LYS A 419 107.878 7.550 11.664 1.00 0.61 N ATOM 1592 CA LYS A 419 107.968 6.088 11.382 1.00 0.63 C ATOM 1593 C LYS A 419 108.874 5.816 10.174 1.00 0.62 C ATOM 1594 O LYS A 419 109.645 4.883 10.170 1.00 0.71 O ATOM 1595 CB LYS A 419 106.533 5.651 11.090 1.00 0.57 C ATOM 1596 CG LYS A 419 105.703 5.741 12.373 1.00 0.81 C ATOM 1597 CD LYS A 419 104.286 5.233 12.102 1.00 0.93 C ATOM 1598 CE LYS A 419 103.426 5.434 13.353 1.00 1.33 C ATOM 1599 NZ LYS A 419 103.037 4.060 13.775 1.00 2.49 N ATOM 0 H LYS A 419 106.947 7.957 11.572 1.00 0.61 H new ATOM 0 HA LYS A 419 108.401 5.540 12.219 1.00 0.63 H new ATOM 0 HB2 LYS A 419 106.098 6.285 10.317 1.00 0.57 H new ATOM 0 HB3 LYS A 419 106.523 4.630 10.708 1.00 0.57 H new ATOM 0 HG2 LYS A 419 106.168 5.149 13.162 1.00 0.81 H new ATOM 0 HG3 LYS A 419 105.670 6.772 12.725 1.00 0.81 H new ATOM 0 HD2 LYS A 419 103.851 5.769 11.258 1.00 0.93 H new ATOM 0 HD3 LYS A 419 104.312 4.178 11.831 1.00 0.93 H new ATOM 0 HE2 LYS A 419 103.983 5.945 14.138 1.00 1.33 H new ATOM 0 HE3 LYS A 419 102.549 6.044 13.136 1.00 1.33 H new ATOM 0 HZ1 LYS A 419 102.473 4.111 14.647 1.00 2.49 H new ATOM 0 HZ2 LYS A 419 102.473 3.613 13.024 1.00 2.49 H new ATOM 0 HZ3 LYS A 419 103.893 3.495 13.949 1.00 2.49 H new ATOM 1613 N VAL A 420 108.809 6.638 9.165 1.00 0.56 N ATOM 1614 CA VAL A 420 109.683 6.434 7.968 1.00 0.62 C ATOM 1615 C VAL A 420 111.152 6.622 8.348 1.00 0.71 C ATOM 1616 O VAL A 420 112.028 5.924 7.877 1.00 0.79 O ATOM 1617 CB VAL A 420 109.256 7.522 6.984 1.00 0.60 C ATOM 1618 CG1 VAL A 420 110.187 7.512 5.773 1.00 0.70 C ATOM 1619 CG2 VAL A 420 107.822 7.262 6.526 1.00 0.59 C ATOM 0 H VAL A 420 108.188 7.446 9.114 1.00 0.56 H new ATOM 0 HA VAL A 420 109.583 5.432 7.551 1.00 0.62 H new ATOM 0 HB VAL A 420 109.310 8.494 7.474 1.00 0.60 H new ATOM 0 HG11 VAL A 420 109.881 8.289 5.072 1.00 0.70 H new ATOM 0 HG12 VAL A 420 111.210 7.700 6.099 1.00 0.70 H new ATOM 0 HG13 VAL A 420 110.135 6.540 5.282 1.00 0.70 H new ATOM 0 HG21 VAL A 420 107.518 8.038 5.824 1.00 0.59 H new ATOM 0 HG22 VAL A 420 107.767 6.289 6.037 1.00 0.59 H new ATOM 0 HG23 VAL A 420 107.157 7.273 7.389 1.00 0.59 H new ATOM 1629 N ASP A 421 111.420 7.593 9.167 1.00 0.72 N ATOM 1630 CA ASP A 421 112.824 7.889 9.566 1.00 0.84 C ATOM 1631 C ASP A 421 113.381 6.774 10.456 1.00 0.91 C ATOM 1632 O ASP A 421 114.482 6.301 10.258 1.00 1.00 O ATOM 1633 CB ASP A 421 112.725 9.200 10.339 1.00 0.88 C ATOM 1634 CG ASP A 421 112.451 10.347 9.365 1.00 1.14 C ATOM 1635 OD1 ASP A 421 112.516 10.111 8.170 1.00 2.05 O ATOM 1636 OD2 ASP A 421 112.181 11.442 9.830 1.00 1.25 O ATOM 0 H ASP A 421 110.718 8.205 9.585 1.00 0.72 H new ATOM 0 HA ASP A 421 113.496 7.959 8.710 1.00 0.84 H new ATOM 0 HB2 ASP A 421 111.927 9.139 11.079 1.00 0.88 H new ATOM 0 HB3 ASP A 421 113.651 9.384 10.883 1.00 0.88 H new ATOM 1641 N GLN A 422 112.600 6.305 11.385 1.00 0.89 N ATOM 1642 CA GLN A 422 113.048 5.164 12.231 1.00 0.98 C ATOM 1643 C GLN A 422 113.223 3.920 11.361 1.00 0.98 C ATOM 1644 O GLN A 422 114.147 3.153 11.534 1.00 1.07 O ATOM 1645 CB GLN A 422 111.926 4.968 13.251 1.00 0.99 C ATOM 1646 CG GLN A 422 111.756 6.246 14.081 1.00 1.32 C ATOM 1647 CD GLN A 422 110.613 6.058 15.080 1.00 1.77 C ATOM 1648 OE1 GLN A 422 109.810 5.158 14.937 1.00 2.33 O ATOM 1649 NE2 GLN A 422 110.506 6.874 16.091 1.00 2.33 N ATOM 0 H GLN A 422 111.668 6.662 11.597 1.00 0.89 H new ATOM 0 HA GLN A 422 114.005 5.347 12.720 1.00 0.98 H new ATOM 0 HB2 GLN A 422 110.994 4.728 12.740 1.00 0.99 H new ATOM 0 HB3 GLN A 422 112.157 4.126 13.904 1.00 0.99 H new ATOM 0 HG2 GLN A 422 112.681 6.475 14.610 1.00 1.32 H new ATOM 0 HG3 GLN A 422 111.546 7.092 13.427 1.00 1.32 H new ATOM 0 HE21 GLN A 422 111.181 7.629 16.210 1.00 2.33 H new ATOM 0 HE22 GLN A 422 109.747 6.757 16.763 1.00 2.33 H new ATOM 1658 N VAL A 423 112.424 3.792 10.343 1.00 0.91 N ATOM 1659 CA VAL A 423 112.629 2.693 9.366 1.00 0.94 C ATOM 1660 C VAL A 423 113.986 2.855 8.675 1.00 0.96 C ATOM 1661 O VAL A 423 114.704 1.899 8.463 1.00 1.00 O ATOM 1662 CB VAL A 423 111.494 2.875 8.366 1.00 0.92 C ATOM 1663 CG1 VAL A 423 111.658 1.892 7.210 1.00 0.95 C ATOM 1664 CG2 VAL A 423 110.155 2.634 9.060 1.00 0.99 C ATOM 0 H VAL A 423 111.633 4.405 10.145 1.00 0.91 H new ATOM 0 HA VAL A 423 112.626 1.705 9.826 1.00 0.94 H new ATOM 0 HB VAL A 423 111.521 3.892 7.976 1.00 0.92 H new ATOM 0 HG11 VAL A 423 110.843 2.028 6.499 1.00 0.95 H new ATOM 0 HG12 VAL A 423 112.610 2.073 6.710 1.00 0.95 H new ATOM 0 HG13 VAL A 423 111.638 0.872 7.594 1.00 0.95 H new ATOM 0 HG21 VAL A 423 109.345 2.765 8.343 1.00 0.99 H new ATOM 0 HG22 VAL A 423 110.128 1.619 9.457 1.00 0.99 H new ATOM 0 HG23 VAL A 423 110.035 3.346 9.877 1.00 0.99 H new ATOM 1674 N ALA A 424 114.331 4.059 8.309 1.00 0.98 N ATOM 1675 CA ALA A 424 115.631 4.287 7.613 1.00 1.07 C ATOM 1676 C ALA A 424 116.797 4.149 8.595 1.00 1.17 C ATOM 1677 O ALA A 424 117.739 3.420 8.355 1.00 1.24 O ATOM 1678 CB ALA A 424 115.549 5.721 7.095 1.00 1.09 C ATOM 0 H ALA A 424 113.769 4.896 8.462 1.00 0.98 H new ATOM 0 HA ALA A 424 115.800 3.564 6.815 1.00 1.07 H new ATOM 0 HB1 ALA A 424 116.470 5.971 6.568 1.00 1.09 H new ATOM 0 HB2 ALA A 424 114.704 5.814 6.413 1.00 1.09 H new ATOM 0 HB3 ALA A 424 115.415 6.404 7.934 1.00 1.09 H new ATOM 1684 N ARG A 425 116.753 4.864 9.685 1.00 1.23 N ATOM 1685 CA ARG A 425 117.872 4.794 10.665 1.00 1.39 C ATOM 1686 C ARG A 425 118.085 3.347 11.107 1.00 1.38 C ATOM 1687 O ARG A 425 119.146 2.978 11.572 1.00 1.53 O ATOM 1688 CB ARG A 425 117.430 5.655 11.849 1.00 1.57 C ATOM 1689 CG ARG A 425 117.222 7.098 11.384 1.00 2.17 C ATOM 1690 CD ARG A 425 116.949 7.998 12.594 1.00 2.43 C ATOM 1691 NE ARG A 425 115.947 7.253 13.413 1.00 2.68 N ATOM 1692 CZ ARG A 425 116.323 6.435 14.369 1.00 3.44 C ATOM 1693 NH1 ARG A 425 117.590 6.243 14.638 1.00 4.11 N ATOM 1694 NH2 ARG A 425 115.419 5.803 15.065 1.00 3.73 N ATOM 0 H ARG A 425 115.991 5.493 9.939 1.00 1.23 H new ATOM 0 HA ARG A 425 118.813 5.146 10.242 1.00 1.39 H new ATOM 0 HB2 ARG A 425 116.506 5.262 12.273 1.00 1.57 H new ATOM 0 HB3 ARG A 425 118.182 5.621 12.637 1.00 1.57 H new ATOM 0 HG2 ARG A 425 118.105 7.449 10.850 1.00 2.17 H new ATOM 0 HG3 ARG A 425 116.386 7.148 10.686 1.00 2.17 H new ATOM 0 HD2 ARG A 425 117.861 8.185 13.161 1.00 2.43 H new ATOM 0 HD3 ARG A 425 116.562 8.969 12.284 1.00 2.43 H new ATOM 0 HE ARG A 425 114.953 7.382 13.226 1.00 2.68 H new ATOM 0 HH11 ARG A 425 118.305 6.733 14.101 1.00 4.11 H new ATOM 0 HH12 ARG A 425 117.862 5.603 15.385 1.00 4.11 H new ATOM 0 HH21 ARG A 425 114.429 5.946 14.865 1.00 3.73 H new ATOM 0 HH22 ARG A 425 115.702 5.166 15.809 1.00 3.73 H new ATOM 1708 N GLN A 426 117.090 2.521 10.950 1.00 1.26 N ATOM 1709 CA GLN A 426 117.245 1.087 11.345 1.00 1.33 C ATOM 1710 C GLN A 426 117.765 0.259 10.167 1.00 1.26 C ATOM 1711 O GLN A 426 117.933 -0.940 10.268 1.00 1.33 O ATOM 1712 CB GLN A 426 115.847 0.635 11.758 1.00 1.34 C ATOM 1713 CG GLN A 426 115.410 1.430 12.988 1.00 1.95 C ATOM 1714 CD GLN A 426 116.165 0.924 14.218 1.00 2.42 C ATOM 1715 OE1 GLN A 426 116.252 -0.266 14.446 1.00 2.68 O ATOM 1716 NE2 GLN A 426 116.720 1.785 15.027 1.00 2.92 N ATOM 0 H GLN A 426 116.178 2.771 10.567 1.00 1.26 H new ATOM 0 HA GLN A 426 117.965 0.958 12.153 1.00 1.33 H new ATOM 0 HB2 GLN A 426 115.144 0.791 10.940 1.00 1.34 H new ATOM 0 HB3 GLN A 426 115.847 -0.432 11.980 1.00 1.34 H new ATOM 0 HG2 GLN A 426 115.609 2.491 12.838 1.00 1.95 H new ATOM 0 HG3 GLN A 426 114.336 1.325 13.139 1.00 1.95 H new ATOM 0 HE21 GLN A 426 116.647 2.784 14.836 1.00 2.92 H new ATOM 0 HE22 GLN A 426 117.226 1.458 15.850 1.00 2.92 H new ATOM 1725 N GLY A 427 118.113 0.900 9.089 1.00 1.16 N ATOM 1726 CA GLY A 427 118.731 0.160 7.950 1.00 1.14 C ATOM 1727 C GLY A 427 117.639 -0.353 7.010 1.00 1.07 C ATOM 1728 O GLY A 427 117.900 -1.100 6.088 1.00 1.11 O ATOM 0 H GLY A 427 117.998 1.903 8.945 1.00 1.16 H new ATOM 0 HA2 GLY A 427 119.413 0.814 7.407 1.00 1.14 H new ATOM 0 HA3 GLY A 427 119.322 -0.675 8.325 1.00 1.14 H new ATOM 1732 N ALA A 428 116.424 0.070 7.215 1.00 1.07 N ATOM 1733 CA ALA A 428 115.320 -0.358 6.309 1.00 1.00 C ATOM 1734 C ALA A 428 114.956 0.780 5.357 1.00 0.94 C ATOM 1735 O ALA A 428 115.070 1.940 5.694 1.00 0.97 O ATOM 1736 CB ALA A 428 114.148 -0.674 7.239 1.00 1.04 C ATOM 0 H ALA A 428 116.146 0.695 7.972 1.00 1.07 H new ATOM 0 HA ALA A 428 115.594 -1.215 5.694 1.00 1.00 H new ATOM 0 HB1 ALA A 428 113.291 -0.998 6.648 1.00 1.04 H new ATOM 0 HB2 ALA A 428 114.434 -1.468 7.928 1.00 1.04 H new ATOM 0 HB3 ALA A 428 113.882 0.219 7.805 1.00 1.04 H new ATOM 1742 N THR A 429 114.415 0.457 4.216 1.00 0.92 N ATOM 1743 CA THR A 429 113.923 1.526 3.303 1.00 0.88 C ATOM 1744 C THR A 429 112.442 1.770 3.571 1.00 0.65 C ATOM 1745 O THR A 429 111.618 0.920 3.298 1.00 0.62 O ATOM 1746 CB THR A 429 114.122 0.980 1.887 1.00 1.00 C ATOM 1747 OG1 THR A 429 115.497 1.064 1.538 1.00 1.21 O ATOM 1748 CG2 THR A 429 113.290 1.804 0.896 1.00 1.00 C ATOM 0 H THR A 429 114.292 -0.497 3.877 1.00 0.92 H new ATOM 0 HA THR A 429 114.450 2.470 3.444 1.00 0.88 H new ATOM 0 HB THR A 429 113.800 -0.061 1.850 1.00 1.00 H new ATOM 0 HG1 THR A 429 115.627 0.713 0.632 1.00 1.21 H new ATOM 0 HG21 THR A 429 113.433 1.414 -0.112 1.00 1.00 H new ATOM 0 HG22 THR A 429 112.235 1.739 1.164 1.00 1.00 H new ATOM 0 HG23 THR A 429 113.610 2.846 0.930 1.00 1.00 H new ATOM 1756 N PRO A 430 112.158 2.900 4.150 1.00 0.70 N ATOM 1757 CA PRO A 430 110.769 3.238 4.512 1.00 0.55 C ATOM 1758 C PRO A 430 109.999 3.709 3.276 1.00 0.54 C ATOM 1759 O PRO A 430 110.032 4.872 2.929 1.00 0.68 O ATOM 1760 CB PRO A 430 110.913 4.383 5.522 1.00 0.81 C ATOM 1761 CG PRO A 430 112.389 4.622 5.686 1.00 1.20 C ATOM 1762 CD PRO A 430 113.085 3.960 4.530 1.00 1.04 C ATOM 0 HA PRO A 430 110.220 2.388 4.918 1.00 0.55 H new ATOM 0 HB2 PRO A 430 110.412 5.282 5.164 1.00 0.81 H new ATOM 0 HB3 PRO A 430 110.454 4.120 6.475 1.00 0.81 H new ATOM 0 HG2 PRO A 430 112.605 5.690 5.703 1.00 1.20 H new ATOM 0 HG3 PRO A 430 112.741 4.211 6.632 1.00 1.20 H new ATOM 0 HD2 PRO A 430 113.258 4.657 3.710 1.00 1.04 H new ATOM 0 HD3 PRO A 430 114.057 3.561 4.819 1.00 1.04 H new ATOM 1770 N LEU A 431 109.115 2.890 2.781 1.00 0.47 N ATOM 1771 CA LEU A 431 108.138 3.396 1.781 1.00 0.56 C ATOM 1772 C LEU A 431 106.901 3.898 2.514 1.00 0.54 C ATOM 1773 O LEU A 431 106.545 3.391 3.550 1.00 0.59 O ATOM 1774 CB LEU A 431 107.767 2.202 0.903 1.00 0.59 C ATOM 1775 CG LEU A 431 108.992 1.706 0.147 1.00 0.59 C ATOM 1776 CD1 LEU A 431 108.585 0.529 -0.741 1.00 1.14 C ATOM 1777 CD2 LEU A 431 109.541 2.835 -0.728 1.00 1.40 C ATOM 0 H LEU A 431 109.027 1.903 3.022 1.00 0.47 H new ATOM 0 HA LEU A 431 108.548 4.211 1.185 1.00 0.56 H new ATOM 0 HB2 LEU A 431 107.361 1.400 1.519 1.00 0.59 H new ATOM 0 HB3 LEU A 431 106.986 2.488 0.198 1.00 0.59 H new ATOM 0 HG LEU A 431 109.759 1.389 0.854 1.00 0.59 H new ATOM 0 HD11 LEU A 431 109.456 0.167 -1.287 1.00 1.14 H new ATOM 0 HD12 LEU A 431 108.186 -0.274 -0.121 1.00 1.14 H new ATOM 0 HD13 LEU A 431 107.823 0.854 -1.449 1.00 1.14 H new ATOM 0 HD21 LEU A 431 110.418 2.482 -1.270 1.00 1.40 H new ATOM 0 HD22 LEU A 431 108.777 3.148 -1.439 1.00 1.40 H new ATOM 0 HD23 LEU A 431 109.820 3.680 -0.099 1.00 1.40 H new ATOM 1789 N VAL A 432 106.261 4.905 2.013 1.00 0.49 N ATOM 1790 CA VAL A 432 105.071 5.434 2.734 1.00 0.48 C ATOM 1791 C VAL A 432 103.799 5.133 1.942 1.00 0.48 C ATOM 1792 O VAL A 432 103.766 5.251 0.733 1.00 0.52 O ATOM 1793 CB VAL A 432 105.303 6.938 2.838 1.00 0.43 C ATOM 1794 CG1 VAL A 432 104.147 7.581 3.604 1.00 0.45 C ATOM 1795 CG2 VAL A 432 106.614 7.200 3.583 1.00 0.51 C ATOM 0 H VAL A 432 106.502 5.385 1.146 1.00 0.49 H new ATOM 0 HA VAL A 432 104.946 4.978 3.716 1.00 0.48 H new ATOM 0 HB VAL A 432 105.359 7.367 1.837 1.00 0.43 H new ATOM 0 HG11 VAL A 432 104.313 8.656 3.678 1.00 0.45 H new ATOM 0 HG12 VAL A 432 103.212 7.394 3.076 1.00 0.45 H new ATOM 0 HG13 VAL A 432 104.091 7.153 4.605 1.00 0.45 H new ATOM 0 HG21 VAL A 432 106.781 8.274 3.658 1.00 0.51 H new ATOM 0 HG22 VAL A 432 106.556 6.771 4.583 1.00 0.51 H new ATOM 0 HG23 VAL A 432 107.440 6.741 3.039 1.00 0.51 H new ATOM 1805 N VAL A 433 102.760 4.724 2.617 1.00 0.44 N ATOM 1806 CA VAL A 433 101.489 4.388 1.916 1.00 0.45 C ATOM 1807 C VAL A 433 100.376 5.318 2.393 1.00 0.37 C ATOM 1808 O VAL A 433 100.180 5.503 3.581 1.00 0.37 O ATOM 1809 CB VAL A 433 101.179 2.949 2.322 1.00 0.56 C ATOM 1810 CG1 VAL A 433 100.018 2.419 1.480 1.00 0.59 C ATOM 1811 CG2 VAL A 433 102.416 2.075 2.097 1.00 1.08 C ATOM 0 H VAL A 433 102.737 4.608 3.630 1.00 0.44 H new ATOM 0 HA VAL A 433 101.570 4.499 0.835 1.00 0.45 H new ATOM 0 HB VAL A 433 100.904 2.922 3.376 1.00 0.56 H new ATOM 0 HG11 VAL A 433 99.797 1.392 1.770 1.00 0.59 H new ATOM 0 HG12 VAL A 433 99.137 3.040 1.643 1.00 0.59 H new ATOM 0 HG13 VAL A 433 100.291 2.447 0.425 1.00 0.59 H new ATOM 0 HG21 VAL A 433 102.194 1.048 2.387 1.00 1.08 H new ATOM 0 HG22 VAL A 433 102.694 2.102 1.043 1.00 1.08 H new ATOM 0 HG23 VAL A 433 103.242 2.452 2.700 1.00 1.08 H new ATOM 1821 N VAL A 434 99.582 5.819 1.489 1.00 0.43 N ATOM 1822 CA VAL A 434 98.413 6.637 1.909 1.00 0.43 C ATOM 1823 C VAL A 434 97.150 6.181 1.189 1.00 0.48 C ATOM 1824 O VAL A 434 97.189 5.718 0.069 1.00 0.90 O ATOM 1825 CB VAL A 434 98.746 8.081 1.524 1.00 0.53 C ATOM 1826 CG1 VAL A 434 100.191 8.395 1.907 1.00 0.70 C ATOM 1827 CG2 VAL A 434 98.559 8.275 0.017 1.00 0.49 C ATOM 0 H VAL A 434 99.692 5.698 0.482 1.00 0.43 H new ATOM 0 HA VAL A 434 98.228 6.537 2.978 1.00 0.43 H new ATOM 0 HB VAL A 434 98.076 8.756 2.057 1.00 0.53 H new ATOM 0 HG11 VAL A 434 100.425 9.423 1.632 1.00 0.70 H new ATOM 0 HG12 VAL A 434 100.318 8.269 2.982 1.00 0.70 H new ATOM 0 HG13 VAL A 434 100.863 7.717 1.381 1.00 0.70 H new ATOM 0 HG21 VAL A 434 98.798 9.305 -0.250 1.00 0.49 H new ATOM 0 HG22 VAL A 434 99.221 7.598 -0.522 1.00 0.49 H new ATOM 0 HG23 VAL A 434 97.525 8.061 -0.252 1.00 0.49 H new ATOM 1837 N GLU A 435 96.029 6.421 1.788 1.00 0.61 N ATOM 1838 CA GLU A 435 94.741 6.133 1.106 1.00 0.60 C ATOM 1839 C GLU A 435 94.195 7.424 0.512 1.00 0.62 C ATOM 1840 O GLU A 435 94.093 8.427 1.190 1.00 0.67 O ATOM 1841 CB GLU A 435 93.812 5.615 2.202 1.00 0.70 C ATOM 1842 CG GLU A 435 93.654 4.104 2.049 1.00 0.76 C ATOM 1843 CD GLU A 435 92.622 3.591 3.055 1.00 1.13 C ATOM 1844 OE1 GLU A 435 92.193 4.376 3.885 1.00 1.34 O ATOM 1845 OE2 GLU A 435 92.278 2.423 2.979 1.00 1.79 O ATOM 0 H GLU A 435 95.944 6.807 2.728 1.00 0.61 H new ATOM 0 HA GLU A 435 94.844 5.410 0.297 1.00 0.60 H new ATOM 0 HB2 GLU A 435 94.220 5.853 3.184 1.00 0.70 H new ATOM 0 HB3 GLU A 435 92.840 6.104 2.133 1.00 0.70 H new ATOM 0 HG2 GLU A 435 93.339 3.862 1.034 1.00 0.76 H new ATOM 0 HG3 GLU A 435 94.612 3.610 2.211 1.00 0.76 H new ATOM 1852 N GLY A 436 93.982 7.461 -0.766 1.00 0.61 N ATOM 1853 CA GLY A 436 93.609 8.757 -1.387 1.00 0.64 C ATOM 1854 C GLY A 436 94.692 9.786 -1.055 1.00 0.68 C ATOM 1855 O GLY A 436 95.787 9.740 -1.577 1.00 1.42 O ATOM 0 H GLY A 436 94.048 6.666 -1.401 1.00 0.61 H new ATOM 0 HA2 GLY A 436 93.512 8.645 -2.467 1.00 0.64 H new ATOM 0 HA3 GLY A 436 92.642 9.092 -1.013 1.00 0.64 H new ATOM 1859 N SER A 437 94.379 10.739 -0.220 1.00 0.84 N ATOM 1860 CA SER A 437 95.372 11.802 0.112 1.00 0.81 C ATOM 1861 C SER A 437 95.803 11.719 1.584 1.00 0.83 C ATOM 1862 O SER A 437 96.366 12.653 2.121 1.00 1.35 O ATOM 1863 CB SER A 437 94.636 13.114 -0.149 1.00 0.80 C ATOM 1864 OG SER A 437 93.901 13.478 1.011 1.00 1.42 O ATOM 0 H SER A 437 93.477 10.828 0.248 1.00 0.84 H new ATOM 0 HA SER A 437 96.282 11.705 -0.481 1.00 0.81 H new ATOM 0 HB2 SER A 437 95.348 13.899 -0.404 1.00 0.80 H new ATOM 0 HB3 SER A 437 93.964 13.004 -1.000 1.00 0.80 H new ATOM 0 HG SER A 437 93.428 14.321 0.848 1.00 1.42 H new ATOM 1870 N ARG A 438 95.511 10.638 2.261 1.00 0.53 N ATOM 1871 CA ARG A 438 95.872 10.554 3.708 1.00 0.62 C ATOM 1872 C ARG A 438 96.747 9.323 3.965 1.00 0.65 C ATOM 1873 O ARG A 438 96.571 8.287 3.356 1.00 0.69 O ATOM 1874 CB ARG A 438 94.535 10.434 4.438 1.00 0.78 C ATOM 1875 CG ARG A 438 94.004 9.007 4.300 1.00 1.34 C ATOM 1876 CD ARG A 438 92.525 8.976 4.674 1.00 1.53 C ATOM 1877 NE ARG A 438 92.151 7.534 4.652 1.00 2.25 N ATOM 1878 CZ ARG A 438 90.937 7.165 4.961 1.00 2.95 C ATOM 1879 NH1 ARG A 438 90.041 8.057 5.291 1.00 3.49 N ATOM 1880 NH2 ARG A 438 90.616 5.900 4.940 1.00 3.52 N ATOM 0 H ARG A 438 95.042 9.817 1.879 1.00 0.53 H new ATOM 0 HA ARG A 438 96.443 11.419 4.046 1.00 0.62 H new ATOM 0 HB2 ARG A 438 94.660 10.687 5.491 1.00 0.78 H new ATOM 0 HB3 ARG A 438 93.817 11.142 4.023 1.00 0.78 H new ATOM 0 HG2 ARG A 438 94.139 8.655 3.277 1.00 1.34 H new ATOM 0 HG3 ARG A 438 94.568 8.334 4.946 1.00 1.34 H new ATOM 0 HD2 ARG A 438 92.358 9.412 5.659 1.00 1.53 H new ATOM 0 HD3 ARG A 438 91.927 9.550 3.966 1.00 1.53 H new ATOM 0 HE ARG A 438 92.845 6.833 4.395 1.00 2.25 H new ATOM 0 HH11 ARG A 438 90.288 9.046 5.308 1.00 3.49 H new ATOM 0 HH12 ARG A 438 89.094 7.764 5.532 1.00 3.49 H new ATOM 0 HH21 ARG A 438 91.313 5.201 4.683 1.00 3.52 H new ATOM 0 HH22 ARG A 438 89.668 5.610 5.181 1.00 3.52 H new ATOM 1894 N VAL A 439 97.736 9.460 4.801 1.00 0.67 N ATOM 1895 CA VAL A 439 98.701 8.340 5.015 1.00 0.74 C ATOM 1896 C VAL A 439 98.130 7.298 5.978 1.00 0.93 C ATOM 1897 O VAL A 439 97.789 7.600 7.104 1.00 1.41 O ATOM 1898 CB VAL A 439 99.937 9.002 5.620 1.00 0.89 C ATOM 1899 CG1 VAL A 439 101.043 7.959 5.792 1.00 0.99 C ATOM 1900 CG2 VAL A 439 100.428 10.114 4.689 1.00 0.86 C ATOM 0 H VAL A 439 97.921 10.301 5.348 1.00 0.67 H new ATOM 0 HA VAL A 439 98.922 7.812 4.087 1.00 0.74 H new ATOM 0 HB VAL A 439 99.682 9.426 6.591 1.00 0.89 H new ATOM 0 HG11 VAL A 439 101.925 8.432 6.224 1.00 0.99 H new ATOM 0 HG12 VAL A 439 100.695 7.166 6.454 1.00 0.99 H new ATOM 0 HG13 VAL A 439 101.298 7.535 4.821 1.00 0.99 H new ATOM 0 HG21 VAL A 439 101.310 10.587 5.121 1.00 0.86 H new ATOM 0 HG22 VAL A 439 100.682 9.690 3.718 1.00 0.86 H new ATOM 0 HG23 VAL A 439 99.642 10.858 4.565 1.00 0.86 H new ATOM 1910 N LEU A 440 98.108 6.056 5.573 1.00 0.79 N ATOM 1911 CA LEU A 440 97.655 4.981 6.506 1.00 1.07 C ATOM 1912 C LEU A 440 98.835 4.466 7.335 1.00 0.74 C ATOM 1913 O LEU A 440 98.677 4.096 8.482 1.00 0.88 O ATOM 1914 CB LEU A 440 97.074 3.864 5.627 1.00 1.60 C ATOM 1915 CG LEU A 440 98.003 3.569 4.449 1.00 1.48 C ATOM 1916 CD1 LEU A 440 98.071 2.059 4.216 1.00 1.79 C ATOM 1917 CD2 LEU A 440 97.455 4.245 3.195 1.00 1.57 C ATOM 0 H LEU A 440 98.382 5.740 4.643 1.00 0.79 H new ATOM 0 HA LEU A 440 96.909 5.350 7.210 1.00 1.07 H new ATOM 0 HB2 LEU A 440 96.934 2.961 6.222 1.00 1.60 H new ATOM 0 HB3 LEU A 440 96.092 4.158 5.258 1.00 1.60 H new ATOM 0 HG LEU A 440 99.001 3.949 4.669 1.00 1.48 H new ATOM 0 HD11 LEU A 440 98.733 1.850 3.376 1.00 1.79 H new ATOM 0 HD12 LEU A 440 98.455 1.570 5.111 1.00 1.79 H new ATOM 0 HD13 LEU A 440 97.073 1.680 3.994 1.00 1.79 H new ATOM 0 HD21 LEU A 440 98.114 4.037 2.352 1.00 1.57 H new ATOM 0 HD22 LEU A 440 96.458 3.859 2.980 1.00 1.57 H new ATOM 0 HD23 LEU A 440 97.400 5.322 3.356 1.00 1.57 H new ATOM 1929 N GLY A 441 100.024 4.467 6.787 1.00 0.64 N ATOM 1930 CA GLY A 441 101.198 4.008 7.587 1.00 1.02 C ATOM 1931 C GLY A 441 102.460 3.959 6.723 1.00 0.82 C ATOM 1932 O GLY A 441 102.463 4.359 5.578 1.00 0.96 O ATOM 0 H GLY A 441 100.231 4.762 5.833 1.00 0.64 H new ATOM 0 HA2 GLY A 441 101.355 4.681 8.430 1.00 1.02 H new ATOM 0 HA3 GLY A 441 100.997 3.020 8.001 1.00 1.02 H new ATOM 1936 N VAL A 442 103.539 3.485 7.285 1.00 0.56 N ATOM 1937 CA VAL A 442 104.827 3.419 6.532 1.00 0.44 C ATOM 1938 C VAL A 442 105.318 1.967 6.467 1.00 0.41 C ATOM 1939 O VAL A 442 104.904 1.130 7.243 1.00 0.41 O ATOM 1940 CB VAL A 442 105.793 4.271 7.347 1.00 0.42 C ATOM 1941 CG1 VAL A 442 107.136 4.344 6.623 1.00 0.44 C ATOM 1942 CG2 VAL A 442 105.215 5.678 7.505 1.00 0.57 C ATOM 0 H VAL A 442 103.585 3.137 8.243 1.00 0.56 H new ATOM 0 HA VAL A 442 104.733 3.773 5.505 1.00 0.44 H new ATOM 0 HB VAL A 442 105.937 3.826 8.332 1.00 0.42 H new ATOM 0 HG11 VAL A 442 107.829 4.953 7.203 1.00 0.44 H new ATOM 0 HG12 VAL A 442 107.543 3.339 6.509 1.00 0.44 H new ATOM 0 HG13 VAL A 442 106.995 4.792 5.639 1.00 0.44 H new ATOM 0 HG21 VAL A 442 105.903 6.291 8.087 1.00 0.57 H new ATOM 0 HG22 VAL A 442 105.074 6.126 6.521 1.00 0.57 H new ATOM 0 HG23 VAL A 442 104.255 5.622 8.019 1.00 0.57 H new ATOM 1952 N ILE A 443 106.154 1.650 5.517 1.00 0.42 N ATOM 1953 CA ILE A 443 106.617 0.234 5.371 1.00 0.43 C ATOM 1954 C ILE A 443 108.138 0.149 5.460 1.00 0.44 C ATOM 1955 O ILE A 443 108.849 0.871 4.796 1.00 0.51 O ATOM 1956 CB ILE A 443 106.153 -0.206 3.983 1.00 0.47 C ATOM 1957 CG1 ILE A 443 104.681 0.164 3.787 1.00 0.51 C ATOM 1958 CG2 ILE A 443 106.316 -1.721 3.852 1.00 0.56 C ATOM 1959 CD1 ILE A 443 103.874 -0.272 5.011 1.00 1.05 C ATOM 0 H ILE A 443 106.538 2.305 4.836 1.00 0.42 H new ATOM 0 HA ILE A 443 106.214 -0.399 6.162 1.00 0.43 H new ATOM 0 HB ILE A 443 106.755 0.297 3.226 1.00 0.47 H new ATOM 0 HG12 ILE A 443 104.583 1.239 3.638 1.00 0.51 H new ATOM 0 HG13 ILE A 443 104.291 -0.319 2.891 1.00 0.51 H new ATOM 0 HG21 ILE A 443 105.986 -2.038 2.863 1.00 0.56 H new ATOM 0 HG22 ILE A 443 107.364 -1.987 3.987 1.00 0.56 H new ATOM 0 HG23 ILE A 443 105.714 -2.219 4.612 1.00 0.56 H new ATOM 0 HD11 ILE A 443 102.826 -0.007 4.869 1.00 1.05 H new ATOM 0 HD12 ILE A 443 103.962 -1.351 5.139 1.00 1.05 H new ATOM 0 HD13 ILE A 443 104.258 0.231 5.898 1.00 1.05 H new ATOM 1971 N ALA A 444 108.636 -0.729 6.277 1.00 0.40 N ATOM 1972 CA ALA A 444 110.113 -0.866 6.422 1.00 0.44 C ATOM 1973 C ALA A 444 110.609 -2.089 5.654 1.00 0.43 C ATOM 1974 O ALA A 444 110.199 -3.200 5.917 1.00 0.45 O ATOM 1975 CB ALA A 444 110.344 -1.057 7.920 1.00 0.46 C ATOM 0 H ALA A 444 108.084 -1.363 6.855 1.00 0.40 H new ATOM 0 HA ALA A 444 110.647 -0.001 6.028 1.00 0.44 H new ATOM 0 HB1 ALA A 444 111.411 -1.166 8.113 1.00 0.46 H new ATOM 0 HB2 ALA A 444 109.965 -0.190 8.460 1.00 0.46 H new ATOM 0 HB3 ALA A 444 109.821 -1.952 8.258 1.00 0.46 H new ATOM 1981 N LEU A 445 111.453 -1.895 4.683 1.00 0.57 N ATOM 1982 CA LEU A 445 111.933 -3.051 3.875 1.00 0.63 C ATOM 1983 C LEU A 445 113.359 -3.423 4.286 1.00 0.75 C ATOM 1984 O LEU A 445 114.219 -2.574 4.391 1.00 0.92 O ATOM 1985 CB LEU A 445 111.914 -2.566 2.425 1.00 0.81 C ATOM 1986 CG LEU A 445 110.489 -2.604 1.866 1.00 1.23 C ATOM 1987 CD1 LEU A 445 109.515 -1.975 2.865 1.00 2.11 C ATOM 1988 CD2 LEU A 445 110.441 -1.819 0.554 1.00 1.91 C ATOM 0 H LEU A 445 111.832 -0.988 4.412 1.00 0.57 H new ATOM 0 HA LEU A 445 111.312 -3.935 4.018 1.00 0.63 H new ATOM 0 HB2 LEU A 445 112.306 -1.550 2.370 1.00 0.81 H new ATOM 0 HB3 LEU A 445 112.566 -3.193 1.817 1.00 0.81 H new ATOM 0 HG LEU A 445 110.202 -3.641 1.691 1.00 1.23 H new ATOM 0 HD11 LEU A 445 108.505 -2.007 2.458 1.00 2.11 H new ATOM 0 HD12 LEU A 445 109.546 -2.530 3.802 1.00 2.11 H new ATOM 0 HD13 LEU A 445 109.800 -0.939 3.048 1.00 2.11 H new ATOM 0 HD21 LEU A 445 109.428 -1.843 0.152 1.00 1.91 H new ATOM 0 HD22 LEU A 445 110.734 -0.785 0.738 1.00 1.91 H new ATOM 0 HD23 LEU A 445 111.127 -2.268 -0.164 1.00 1.91 H new ATOM 2000 N LYS A 446 113.642 -4.690 4.407 1.00 0.89 N ATOM 2001 CA LYS A 446 115.041 -5.117 4.681 1.00 1.15 C ATOM 2002 C LYS A 446 115.817 -5.221 3.367 1.00 1.27 C ATOM 2003 O LYS A 446 115.274 -5.589 2.347 1.00 1.87 O ATOM 2004 CB LYS A 446 114.909 -6.492 5.327 1.00 1.92 C ATOM 2005 CG LYS A 446 116.267 -6.946 5.855 1.00 2.25 C ATOM 2006 CD LYS A 446 116.136 -8.365 6.408 1.00 2.85 C ATOM 2007 CE LYS A 446 117.439 -8.766 7.104 1.00 3.64 C ATOM 2008 NZ LYS A 446 117.178 -10.126 7.652 1.00 4.48 N ATOM 0 H LYS A 446 112.964 -5.448 4.328 1.00 0.89 H new ATOM 0 HA LYS A 446 115.576 -4.414 5.319 1.00 1.15 H new ATOM 0 HB2 LYS A 446 114.186 -6.454 6.142 1.00 1.92 H new ATOM 0 HB3 LYS A 446 114.532 -7.211 4.600 1.00 1.92 H new ATOM 0 HG2 LYS A 446 117.009 -6.920 5.057 1.00 2.25 H new ATOM 0 HG3 LYS A 446 116.614 -6.268 6.635 1.00 2.25 H new ATOM 0 HD2 LYS A 446 115.305 -8.417 7.111 1.00 2.85 H new ATOM 0 HD3 LYS A 446 115.914 -9.062 5.600 1.00 2.85 H new ATOM 0 HE2 LYS A 446 118.274 -8.776 6.404 1.00 3.64 H new ATOM 0 HE3 LYS A 446 117.696 -8.063 7.897 1.00 3.64 H new ATOM 0 HZ1 LYS A 446 118.027 -10.470 8.145 1.00 4.48 H new ATOM 0 HZ2 LYS A 446 116.382 -10.084 8.320 1.00 4.48 H new ATOM 0 HZ3 LYS A 446 116.943 -10.775 6.874 1.00 4.48 H new