USER MOD reduce.3.24.130724 H: found=0, std=0, add=659, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 653 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 47 HIS : no HD1:sc= -0.0373 X(o=-0.037,f=0) USER MOD Set 1.2: A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 34 TYR OH : rot 113:sc= 1.21 USER MOD Set 2.2: A 49 ASN : amide:sc= 0.296 X(o=1.5,f=1.2) USER MOD Set 3.1: A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 5 SER OG : rot 33:sc= 1.66 USER MOD Set 3.3: A 30 TYR OH : rot 180:sc= 0.979 USER MOD Single : A 0 MET N :NH3+ 139:sc= 0.343 (180deg=-0.209) USER MOD Single : A 4 TYR OH : rot -144:sc= 1.74 USER MOD Single : A 9 THR OG1 : rot -43:sc= 0.436 USER MOD Single : A 14 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0367) USER MOD Single : A 18 SER OG : rot 180:sc= 0.0562 USER MOD Single : A 19 HIS :FLIP no HD1:sc= -2.12 F(o=-2.8,f=-2.1) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 HIS : no HD1:sc= -0.0543 X(o=-0.054,f=0) USER MOD Single : A 29 LYS NZ :NH3+ -135:sc= 0 (180deg=-1.01) USER MOD Single : A 33 SER OG : rot 55:sc= 1.28 USER MOD Single : A 44 SER OG : rot -47:sc= 0.313 USER MOD Single : A 45 SER OG : rot 180:sc= 0.0513 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.0712 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00694) USER MOD Single : A 60 TYR OH : rot -146:sc= 1.16 USER MOD Single : A 62 LYS NZ :NH3+ 158:sc= -0.716 (180deg=-1.35) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0.2 USER MOD Single : A 76 SER OG : rot 180:sc= 0.6 USER MOD Single : A 77 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0318) USER MOD Single : A 80 HIS : no HE2:sc= -0.247 X(o=-0.25,f=-0.43) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 281.517 121.676 405.845 1.00 0.00 N ATOM 2 CA MET A 0 282.476 122.743 405.813 1.00 0.00 C ATOM 3 C MET A 0 283.853 122.168 405.536 1.00 0.00 C ATOM 4 O MET A 0 284.846 122.623 406.101 1.00 0.00 O ATOM 5 CB MET A 0 282.421 123.607 407.113 1.00 0.00 C ATOM 6 CG MET A 0 281.038 124.259 407.354 1.00 0.00 C ATOM 7 SD MET A 0 279.847 123.285 408.320 1.00 0.00 S ATOM 8 CE MET A 0 278.476 124.407 407.913 1.00 0.00 C ATOM 0 H1 MET A 0 280.844 121.837 406.622 1.00 0.00 H new ATOM 0 H2 MET A 0 281.002 121.645 404.942 1.00 0.00 H new ATOM 0 H3 MET A 0 282.009 120.772 405.994 1.00 0.00 H new ATOM 0 HA MET A 0 282.230 123.429 405.003 1.00 0.00 H new ATOM 0 HB2 MET A 0 282.674 122.981 407.969 1.00 0.00 H new ATOM 0 HB3 MET A 0 283.179 124.388 407.054 1.00 0.00 H new ATOM 0 HG2 MET A 0 281.192 125.211 407.861 1.00 0.00 H new ATOM 0 HG3 MET A 0 280.591 124.482 406.385 1.00 0.00 H new ATOM 0 HE1 MET A 0 277.562 124.052 408.389 1.00 0.00 H new ATOM 0 HE2 MET A 0 278.707 125.409 408.274 1.00 0.00 H new ATOM 0 HE3 MET A 0 278.336 124.433 406.832 1.00 0.00 H new ATOM 18 N GLY A 1 283.941 121.147 404.629 1.00 0.00 N ATOM 19 CA GLY A 1 285.174 120.417 404.257 1.00 0.00 C ATOM 20 C GLY A 1 286.151 121.189 403.391 1.00 0.00 C ATOM 21 O GLY A 1 287.314 121.382 403.736 1.00 0.00 O ATOM 0 H GLY A 1 283.122 120.806 404.125 1.00 0.00 H new ATOM 0 HA2 GLY A 1 285.686 120.113 405.170 1.00 0.00 H new ATOM 0 HA3 GLY A 1 284.891 119.505 403.732 1.00 0.00 H new ATOM 25 N ILE A 2 285.663 121.718 402.242 1.00 0.00 N ATOM 26 CA ILE A 2 286.387 122.648 401.378 1.00 0.00 C ATOM 27 C ILE A 2 285.653 123.950 401.614 1.00 0.00 C ATOM 28 O ILE A 2 284.421 123.973 401.657 1.00 0.00 O ATOM 29 CB ILE A 2 286.369 122.449 399.842 1.00 0.00 C ATOM 30 CG1 ILE A 2 286.495 121.018 399.294 1.00 0.00 C ATOM 31 CG2 ILE A 2 287.489 123.326 399.236 1.00 0.00 C ATOM 32 CD1 ILE A 2 285.156 120.311 399.278 1.00 0.00 C ATOM 0 H ILE A 2 284.731 121.496 401.893 1.00 0.00 H new ATOM 0 HA ILE A 2 287.441 122.546 401.638 1.00 0.00 H new ATOM 0 HB ILE A 2 285.362 122.738 399.542 1.00 0.00 H new ATOM 0 HG12 ILE A 2 286.904 121.049 398.284 1.00 0.00 H new ATOM 0 HG13 ILE A 2 287.199 120.453 399.906 1.00 0.00 H new ATOM 0 HG21 ILE A 2 287.500 123.205 398.153 1.00 0.00 H new ATOM 0 HG22 ILE A 2 287.306 124.372 399.483 1.00 0.00 H new ATOM 0 HG23 ILE A 2 288.452 123.020 399.645 1.00 0.00 H new ATOM 0 HD11 ILE A 2 285.282 119.302 398.885 1.00 0.00 H new ATOM 0 HD12 ILE A 2 284.760 120.258 400.292 1.00 0.00 H new ATOM 0 HD13 ILE A 2 284.461 120.863 398.645 1.00 0.00 H new ATOM 44 N ASP A 3 286.356 125.101 401.707 1.00 0.00 N ATOM 45 CA ASP A 3 285.702 126.382 401.893 1.00 0.00 C ATOM 46 C ASP A 3 285.217 126.960 400.594 1.00 0.00 C ATOM 47 O ASP A 3 285.822 127.856 400.033 1.00 0.00 O ATOM 48 CB ASP A 3 286.541 127.448 402.671 1.00 0.00 C ATOM 49 CG ASP A 3 285.699 128.588 403.285 1.00 0.00 C ATOM 50 OD1 ASP A 3 284.443 128.503 403.284 1.00 0.00 O ATOM 51 OD2 ASP A 3 286.322 129.552 403.794 1.00 0.00 O1- ATOM 0 H ASP A 3 287.373 125.152 401.654 1.00 0.00 H new ATOM 0 HA ASP A 3 284.849 126.147 402.529 1.00 0.00 H new ATOM 0 HB2 ASP A 3 287.093 126.949 403.467 1.00 0.00 H new ATOM 0 HB3 ASP A 3 287.278 127.879 401.994 1.00 0.00 H new ATOM 56 N TYR A 4 284.109 126.421 400.057 1.00 0.00 N ATOM 57 CA TYR A 4 283.100 127.115 399.273 1.00 0.00 C ATOM 58 C TYR A 4 282.142 127.957 400.111 1.00 0.00 C ATOM 59 O TYR A 4 281.956 129.152 399.916 1.00 0.00 O ATOM 60 CB TYR A 4 282.460 126.307 398.144 1.00 0.00 C ATOM 61 CG TYR A 4 283.505 125.499 397.522 1.00 0.00 C ATOM 62 CD1 TYR A 4 283.648 124.147 397.754 1.00 0.00 C ATOM 63 CD2 TYR A 4 284.340 126.149 396.662 1.00 0.00 C ATOM 64 CE1 TYR A 4 284.684 123.465 397.152 1.00 0.00 C ATOM 65 CE2 TYR A 4 285.333 125.448 396.062 1.00 0.00 C ATOM 66 CZ TYR A 4 285.583 124.130 396.357 1.00 0.00 C ATOM 67 OH TYR A 4 286.584 123.409 395.675 1.00 0.00 O ATOM 0 H TYR A 4 283.891 125.431 400.171 1.00 0.00 H new ATOM 0 HA TYR A 4 283.671 127.851 398.706 1.00 0.00 H new ATOM 0 HB2 TYR A 4 281.666 125.670 398.534 1.00 0.00 H new ATOM 0 HB3 TYR A 4 282.004 126.972 397.410 1.00 0.00 H new ATOM 0 HD1 TYR A 4 282.956 123.628 398.400 1.00 0.00 H new ATOM 0 HD2 TYR A 4 284.213 127.203 396.463 1.00 0.00 H new ATOM 0 HE1 TYR A 4 284.788 122.401 397.307 1.00 0.00 H new ATOM 0 HE2 TYR A 4 285.949 125.943 395.326 1.00 0.00 H new ATOM 0 HH TYR A 4 287.408 123.938 395.650 1.00 0.00 H new ATOM 77 N SER A 5 281.423 127.260 401.060 1.00 0.00 N ATOM 78 CA SER A 5 280.248 127.750 401.812 1.00 0.00 C ATOM 79 C SER A 5 280.276 128.940 402.755 1.00 0.00 C ATOM 80 O SER A 5 279.336 129.715 402.676 1.00 0.00 O ATOM 81 CB SER A 5 279.049 126.764 401.997 1.00 0.00 C ATOM 82 OG SER A 5 279.120 125.945 403.158 1.00 0.00 O ATOM 0 H SER A 5 281.671 126.305 401.318 1.00 0.00 H new ATOM 0 HA SER A 5 280.078 128.409 400.960 1.00 0.00 H new ATOM 0 HB2 SER A 5 278.125 127.341 402.034 1.00 0.00 H new ATOM 0 HB3 SER A 5 278.988 126.120 401.119 1.00 0.00 H new ATOM 0 HG SER A 5 279.559 126.440 403.881 1.00 0.00 H new ATOM 88 N GLY A 6 281.315 129.292 403.594 1.00 0.00 N ATOM 89 CA GLY A 6 281.417 130.624 404.206 1.00 0.00 C ATOM 90 C GLY A 6 281.579 131.742 403.192 1.00 0.00 C ATOM 91 O GLY A 6 281.137 132.859 403.382 1.00 0.00 O ATOM 0 H GLY A 6 282.075 128.660 403.845 1.00 0.00 H new ATOM 0 HA2 GLY A 6 280.524 130.811 404.803 1.00 0.00 H new ATOM 0 HA3 GLY A 6 282.266 130.638 404.890 1.00 0.00 H new ATOM 95 N LEU A 7 282.150 131.432 401.999 1.00 0.00 N ATOM 96 CA LEU A 7 282.267 132.364 400.893 1.00 0.00 C ATOM 97 C LEU A 7 280.942 132.540 400.152 1.00 0.00 C ATOM 98 O LEU A 7 280.493 133.670 399.978 1.00 0.00 O ATOM 99 CB LEU A 7 283.493 132.183 399.982 1.00 0.00 C ATOM 100 CG LEU A 7 284.831 131.793 400.675 1.00 0.00 C ATOM 101 CD1 LEU A 7 285.177 132.223 402.111 1.00 0.00 C ATOM 102 CD2 LEU A 7 284.903 130.303 400.683 1.00 0.00 C ATOM 0 H LEU A 7 282.541 130.512 401.796 1.00 0.00 H new ATOM 0 HA LEU A 7 282.491 133.323 401.361 1.00 0.00 H new ATOM 0 HB2 LEU A 7 283.257 131.417 399.243 1.00 0.00 H new ATOM 0 HB3 LEU A 7 283.651 133.113 399.437 1.00 0.00 H new ATOM 0 HG LEU A 7 285.542 132.362 400.076 1.00 0.00 H new ATOM 0 HD11 LEU A 7 286.160 131.835 402.380 1.00 0.00 H new ATOM 0 HD12 LEU A 7 285.187 133.311 402.173 1.00 0.00 H new ATOM 0 HD13 LEU A 7 284.430 131.828 402.799 1.00 0.00 H new ATOM 0 HD21 LEU A 7 285.829 129.986 401.162 1.00 0.00 H new ATOM 0 HD22 LEU A 7 284.053 129.901 401.235 1.00 0.00 H new ATOM 0 HD23 LEU A 7 284.879 129.932 399.658 1.00 0.00 H new ATOM 114 N ARG A 8 280.236 131.421 399.776 1.00 0.00 N ATOM 115 CA ARG A 8 278.891 131.477 399.182 1.00 0.00 C ATOM 116 C ARG A 8 277.773 131.941 400.101 1.00 0.00 C ATOM 117 O ARG A 8 276.864 132.642 399.661 1.00 0.00 O ATOM 118 CB ARG A 8 278.433 130.223 398.339 1.00 0.00 C ATOM 119 CG ARG A 8 279.410 129.026 398.174 1.00 0.00 C ATOM 120 CD ARG A 8 278.857 127.961 397.187 1.00 0.00 C ATOM 121 NE ARG A 8 279.692 126.677 397.015 1.00 0.00 N ATOM 122 CZ ARG A 8 279.225 125.472 397.467 1.00 0.00 C ATOM 123 NH1 ARG A 8 278.276 125.395 398.439 1.00 0.00 N1+ ATOM 124 NH2 ARG A 8 279.759 124.340 396.922 1.00 0.00 N ATOM 0 H ARG A 8 280.596 130.473 399.883 1.00 0.00 H new ATOM 0 HA ARG A 8 279.060 132.277 398.462 1.00 0.00 H new ATOM 0 HB2 ARG A 8 277.518 129.840 398.790 1.00 0.00 H new ATOM 0 HB3 ARG A 8 278.173 130.575 397.341 1.00 0.00 H new ATOM 0 HG2 ARG A 8 280.373 129.390 397.814 1.00 0.00 H new ATOM 0 HG3 ARG A 8 279.586 128.564 399.145 1.00 0.00 H new ATOM 0 HD2 ARG A 8 277.859 127.676 397.519 1.00 0.00 H new ATOM 0 HD3 ARG A 8 278.746 128.429 396.209 1.00 0.00 H new ATOM 0 HE ARG A 8 280.603 126.726 396.559 1.00 0.00 H new ATOM 0 HH11 ARG A 8 277.895 126.248 398.849 1.00 0.00 H new ATOM 0 HH12 ARG A 8 277.945 124.484 398.758 1.00 0.00 H new ATOM 0 HH21 ARG A 8 280.480 124.411 396.204 1.00 0.00 H new ATOM 0 HH22 ARG A 8 279.437 123.423 397.233 1.00 0.00 H new ATOM 138 N THR A 9 277.838 131.601 401.412 1.00 0.00 N ATOM 139 CA THR A 9 276.882 132.062 402.416 1.00 0.00 C ATOM 140 C THR A 9 277.165 133.464 402.968 1.00 0.00 C ATOM 141 O THR A 9 276.212 134.182 403.248 1.00 0.00 O ATOM 142 CB THR A 9 276.517 130.933 403.380 1.00 0.00 C ATOM 143 OG1 THR A 9 275.112 130.801 403.576 1.00 0.00 O ATOM 144 CG2 THR A 9 277.210 130.943 404.754 1.00 0.00 C ATOM 0 H THR A 9 278.565 130.995 401.792 1.00 0.00 H new ATOM 0 HA THR A 9 275.930 132.283 401.934 1.00 0.00 H new ATOM 0 HB THR A 9 276.912 130.067 402.849 1.00 0.00 H new ATOM 0 HG1 THR A 9 274.712 131.689 403.684 1.00 0.00 H new ATOM 0 HG21 THR A 9 276.865 130.092 405.341 1.00 0.00 H new ATOM 0 HG22 THR A 9 278.289 130.877 404.618 1.00 0.00 H new ATOM 0 HG23 THR A 9 276.967 131.868 405.277 1.00 0.00 H new ATOM 152 N ILE A 10 278.452 133.946 403.085 1.00 0.00 N ATOM 153 CA ILE A 10 278.759 135.340 403.462 1.00 0.00 C ATOM 154 C ILE A 10 278.770 136.290 402.239 1.00 0.00 C ATOM 155 O ILE A 10 278.326 137.427 402.397 1.00 0.00 O ATOM 156 CB ILE A 10 280.044 135.503 404.338 1.00 0.00 C ATOM 157 CG1 ILE A 10 279.863 135.023 405.805 1.00 0.00 C ATOM 158 CG2 ILE A 10 280.623 136.940 404.458 1.00 0.00 C ATOM 159 CD1 ILE A 10 279.827 133.516 406.073 1.00 0.00 C ATOM 0 H ILE A 10 279.280 133.374 402.919 1.00 0.00 H new ATOM 0 HA ILE A 10 277.933 135.641 404.107 1.00 0.00 H new ATOM 0 HB ILE A 10 280.736 134.877 403.774 1.00 0.00 H new ATOM 0 HG12 ILE A 10 280.674 135.447 406.397 1.00 0.00 H new ATOM 0 HG13 ILE A 10 278.935 135.451 406.183 1.00 0.00 H new ATOM 0 HG21 ILE A 10 281.511 136.923 405.090 1.00 0.00 H new ATOM 0 HG22 ILE A 10 280.889 137.309 403.467 1.00 0.00 H new ATOM 0 HG23 ILE A 10 279.875 137.598 404.901 1.00 0.00 H new ATOM 0 HD11 ILE A 10 279.696 133.339 407.141 1.00 0.00 H new ATOM 0 HD12 ILE A 10 278.997 133.069 405.526 1.00 0.00 H new ATOM 0 HD13 ILE A 10 280.763 133.065 405.743 1.00 0.00 H new ATOM 171 N PHE A 11 279.291 135.927 401.015 1.00 0.00 N ATOM 172 CA PHE A 11 279.471 136.928 399.946 1.00 0.00 C ATOM 173 C PHE A 11 278.511 136.749 398.782 1.00 0.00 C ATOM 174 O PHE A 11 278.324 137.651 397.962 1.00 0.00 O ATOM 175 CB PHE A 11 280.947 136.970 399.428 1.00 0.00 C ATOM 176 CG PHE A 11 281.894 137.245 400.578 1.00 0.00 C ATOM 177 CD1 PHE A 11 282.076 138.512 401.109 1.00 0.00 C ATOM 178 CD2 PHE A 11 282.565 136.192 401.167 1.00 0.00 C ATOM 179 CE1 PHE A 11 282.896 138.702 402.210 1.00 0.00 C ATOM 180 CE2 PHE A 11 283.334 136.358 402.297 1.00 0.00 C ATOM 181 CZ PHE A 11 283.510 137.623 402.811 1.00 0.00 C ATOM 0 H PHE A 11 279.578 134.980 400.768 1.00 0.00 H new ATOM 0 HA PHE A 11 279.235 137.886 400.410 1.00 0.00 H new ATOM 0 HB2 PHE A 11 281.202 136.021 398.955 1.00 0.00 H new ATOM 0 HB3 PHE A 11 281.052 137.744 398.667 1.00 0.00 H new ATOM 0 HD1 PHE A 11 281.575 139.358 400.661 1.00 0.00 H new ATOM 0 HD2 PHE A 11 282.484 135.208 400.728 1.00 0.00 H new ATOM 0 HE1 PHE A 11 283.055 139.697 402.598 1.00 0.00 H new ATOM 0 HE2 PHE A 11 283.794 135.506 402.775 1.00 0.00 H new ATOM 0 HZ PHE A 11 284.128 137.770 403.684 1.00 0.00 H new ATOM 191 N GLY A 12 277.865 135.558 398.668 1.00 0.00 N ATOM 192 CA GLY A 12 276.893 135.216 397.626 1.00 0.00 C ATOM 193 C GLY A 12 277.483 134.850 396.279 1.00 0.00 C ATOM 194 O GLY A 12 277.553 133.679 395.911 1.00 0.00 O ATOM 0 H GLY A 12 278.020 134.794 399.326 1.00 0.00 H new ATOM 0 HA2 GLY A 12 276.288 134.380 397.978 1.00 0.00 H new ATOM 0 HA3 GLY A 12 276.219 136.062 397.490 1.00 0.00 H new ATOM 198 N GLU A 13 277.917 135.885 395.514 1.00 0.00 N ATOM 199 CA GLU A 13 278.416 135.881 394.137 1.00 0.00 C ATOM 200 C GLU A 13 279.665 135.059 393.814 1.00 0.00 C ATOM 201 O GLU A 13 279.672 134.273 392.869 1.00 0.00 O ATOM 202 CB GLU A 13 278.612 137.356 393.683 1.00 0.00 C ATOM 203 CG GLU A 13 278.882 137.557 392.176 1.00 0.00 C ATOM 204 CD GLU A 13 278.936 139.052 391.859 1.00 0.00 C ATOM 205 OE1 GLU A 13 278.069 139.526 391.077 1.00 0.00 O ATOM 206 OE2 GLU A 13 279.847 139.737 392.395 1.00 0.00 O1- ATOM 0 H GLU A 13 277.922 136.831 395.895 1.00 0.00 H new ATOM 0 HA GLU A 13 277.645 135.351 393.577 1.00 0.00 H new ATOM 0 HB2 GLU A 13 277.721 137.923 393.953 1.00 0.00 H new ATOM 0 HB3 GLU A 13 279.444 137.783 394.244 1.00 0.00 H new ATOM 0 HG2 GLU A 13 279.823 137.082 391.898 1.00 0.00 H new ATOM 0 HG3 GLU A 13 278.098 137.079 391.589 1.00 0.00 H new ATOM 213 N LYS A 14 280.760 135.236 394.589 1.00 0.00 N ATOM 214 CA LYS A 14 282.000 134.513 394.359 1.00 0.00 C ATOM 215 C LYS A 14 282.765 134.248 395.660 1.00 0.00 C ATOM 216 O LYS A 14 282.235 134.146 396.767 1.00 0.00 O ATOM 217 CB LYS A 14 282.893 135.246 393.298 1.00 0.00 C ATOM 218 CG LYS A 14 283.748 134.324 392.398 1.00 0.00 C ATOM 219 CD LYS A 14 284.932 135.056 391.734 1.00 0.00 C ATOM 220 CE LYS A 14 284.530 136.183 390.768 1.00 0.00 C ATOM 221 NZ LYS A 14 283.716 135.666 389.642 1.00 0.00 N1+ ATOM 0 H LYS A 14 280.794 135.880 395.379 1.00 0.00 H new ATOM 0 HA LYS A 14 281.734 133.538 393.951 1.00 0.00 H new ATOM 0 HB2 LYS A 14 282.248 135.850 392.661 1.00 0.00 H new ATOM 0 HB3 LYS A 14 283.558 135.933 393.821 1.00 0.00 H new ATOM 0 HG2 LYS A 14 284.129 133.496 392.995 1.00 0.00 H new ATOM 0 HG3 LYS A 14 283.114 133.893 391.623 1.00 0.00 H new ATOM 0 HD2 LYS A 14 285.567 135.474 392.515 1.00 0.00 H new ATOM 0 HD3 LYS A 14 285.533 134.327 391.191 1.00 0.00 H new ATOM 0 HE2 LYS A 14 283.965 136.943 391.308 1.00 0.00 H new ATOM 0 HE3 LYS A 14 285.426 136.668 390.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 283.518 136.438 388.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 284.238 134.911 389.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 282.819 135.287 390.007 1.00 0.00 H new ATOM 235 N LEU A 15 284.092 134.115 395.486 1.00 0.00 N ATOM 236 CA LEU A 15 285.110 133.804 396.457 1.00 0.00 C ATOM 237 C LEU A 15 286.044 135.002 396.646 1.00 0.00 C ATOM 238 O LEU A 15 286.530 135.532 395.642 1.00 0.00 O ATOM 239 CB LEU A 15 286.015 132.693 395.889 1.00 0.00 C ATOM 240 CG LEU A 15 285.370 131.323 395.696 1.00 0.00 C ATOM 241 CD1 LEU A 15 286.163 130.624 394.586 1.00 0.00 C ATOM 242 CD2 LEU A 15 285.375 130.530 397.009 1.00 0.00 C ATOM 0 H LEU A 15 284.501 134.239 394.560 1.00 0.00 H new ATOM 0 HA LEU A 15 284.614 133.523 397.386 1.00 0.00 H new ATOM 0 HB2 LEU A 15 286.402 133.027 394.926 1.00 0.00 H new ATOM 0 HB3 LEU A 15 286.871 132.577 396.554 1.00 0.00 H new ATOM 0 HG LEU A 15 284.322 131.407 395.409 1.00 0.00 H new ATOM 0 HD11 LEU A 15 285.742 129.635 394.406 1.00 0.00 H new ATOM 0 HD12 LEU A 15 286.106 131.214 393.671 1.00 0.00 H new ATOM 0 HD13 LEU A 15 287.205 130.525 394.890 1.00 0.00 H new ATOM 0 HD21 LEU A 15 284.911 129.557 396.848 1.00 0.00 H new ATOM 0 HD22 LEU A 15 286.402 130.391 397.346 1.00 0.00 H new ATOM 0 HD23 LEU A 15 284.816 131.078 397.767 1.00 0.00 H new ATOM 254 N PRO A 16 286.383 135.421 397.872 1.00 0.00 N ATOM 255 CA PRO A 16 287.335 136.478 398.158 1.00 0.00 C ATOM 256 C PRO A 16 288.807 136.038 398.089 1.00 0.00 C ATOM 257 O PRO A 16 289.149 134.885 397.838 1.00 0.00 O ATOM 258 CB PRO A 16 286.954 136.860 399.593 1.00 0.00 C ATOM 259 CG PRO A 16 286.514 135.544 400.242 1.00 0.00 C ATOM 260 CD PRO A 16 285.860 134.818 399.084 1.00 0.00 C ATOM 0 HA PRO A 16 287.280 137.284 397.427 1.00 0.00 H new ATOM 0 HB2 PRO A 16 287.799 137.300 400.123 1.00 0.00 H new ATOM 0 HB3 PRO A 16 286.150 137.596 399.607 1.00 0.00 H new ATOM 0 HG2 PRO A 16 287.359 134.987 400.646 1.00 0.00 H new ATOM 0 HG3 PRO A 16 285.818 135.709 401.064 1.00 0.00 H new ATOM 0 HD2 PRO A 16 286.087 133.752 399.116 1.00 0.00 H new ATOM 0 HD3 PRO A 16 284.775 134.914 399.128 1.00 0.00 H new ATOM 268 N GLU A 17 289.680 137.041 398.321 1.00 0.00 N ATOM 269 CA GLU A 17 291.124 137.034 398.276 1.00 0.00 C ATOM 270 C GLU A 17 291.719 136.797 399.650 1.00 0.00 C ATOM 271 O GLU A 17 291.052 136.976 400.671 1.00 0.00 O ATOM 272 CB GLU A 17 291.597 138.410 397.739 1.00 0.00 C ATOM 273 CG GLU A 17 290.803 138.891 396.503 1.00 0.00 C ATOM 274 CD GLU A 17 290.755 137.821 395.411 1.00 0.00 C ATOM 275 OE1 GLU A 17 291.857 137.416 394.953 1.00 0.00 O ATOM 276 OE2 GLU A 17 289.633 137.407 395.017 1.00 0.00 O1- ATOM 0 H GLU A 17 289.333 137.967 398.570 1.00 0.00 H new ATOM 0 HA GLU A 17 291.456 136.225 397.626 1.00 0.00 H new ATOM 0 HB2 GLU A 17 291.506 139.152 398.532 1.00 0.00 H new ATOM 0 HB3 GLU A 17 292.654 138.347 397.481 1.00 0.00 H new ATOM 0 HG2 GLU A 17 289.788 139.152 396.802 1.00 0.00 H new ATOM 0 HG3 GLU A 17 291.261 139.797 396.106 1.00 0.00 H new ATOM 283 N SER A 18 293.011 136.394 399.720 1.00 0.00 N ATOM 284 CA SER A 18 293.712 135.952 400.918 1.00 0.00 C ATOM 285 C SER A 18 293.755 136.726 402.225 1.00 0.00 C ATOM 286 O SER A 18 293.953 136.085 403.254 1.00 0.00 O ATOM 287 CB SER A 18 295.158 135.495 400.646 1.00 0.00 C ATOM 288 OG SER A 18 295.305 135.084 399.293 1.00 0.00 O ATOM 0 H SER A 18 293.609 136.373 398.894 1.00 0.00 H new ATOM 0 HA SER A 18 292.979 135.173 401.128 1.00 0.00 H new ATOM 0 HB2 SER A 18 295.850 136.309 400.862 1.00 0.00 H new ATOM 0 HB3 SER A 18 295.417 134.672 401.312 1.00 0.00 H new ATOM 0 HG SER A 18 296.229 134.798 399.136 1.00 0.00 H new ATOM 294 N HIS A 19 293.561 138.084 402.285 1.00 0.00 N ATOM 295 CA HIS A 19 293.550 138.819 403.577 1.00 0.00 C ATOM 296 C HIS A 19 292.291 138.531 404.373 1.00 0.00 C ATOM 297 O HIS A 19 292.307 138.162 405.541 1.00 0.00 O ATOM 298 CB HIS A 19 293.662 140.382 403.465 1.00 0.00 C ATOM 299 CG HIS A 19 292.431 141.172 403.015 1.00 0.00 C ATOM 300 ND1 HIS A 19 291.300 141.550 403.700 1.00 0.00 N flip ATOM 301 CD2 HIS A 19 292.235 141.593 401.717 1.00 0.00 C flip ATOM 302 CE1 HIS A 19 290.437 142.229 402.862 1.00 0.00 C flip ATOM 303 NE2 HIS A 19 291.023 142.208 401.681 1.00 0.00 N flip ATOM 0 H HIS A 19 293.414 138.673 401.466 1.00 0.00 H new ATOM 0 HA HIS A 19 294.447 138.448 404.073 1.00 0.00 H new ATOM 0 HB2 HIS A 19 293.962 140.764 404.441 1.00 0.00 H new ATOM 0 HB3 HIS A 19 294.472 140.607 402.772 1.00 0.00 H new ATOM 0 HD2 HIS A 19 292.914 141.460 400.888 1.00 0.00 H new ATOM 0 HE1 HIS A 19 289.489 142.679 403.118 1.00 0.00 H new ATOM 0 HE2 HIS A 19 290.614 142.608 400.837 1.00 0.00 H new ATOM 311 N ILE A 20 291.136 138.620 403.673 1.00 0.00 N ATOM 312 CA ILE A 20 289.817 138.261 404.149 1.00 0.00 C ATOM 313 C ILE A 20 289.617 136.767 404.129 1.00 0.00 C ATOM 314 O ILE A 20 288.988 136.232 405.037 1.00 0.00 O ATOM 315 CB ILE A 20 288.694 139.143 403.565 1.00 0.00 C ATOM 316 CG1 ILE A 20 287.268 138.664 403.848 1.00 0.00 C ATOM 317 CG2 ILE A 20 288.891 139.454 402.061 1.00 0.00 C ATOM 318 CD1 ILE A 20 286.772 137.701 402.776 1.00 0.00 C ATOM 0 H ILE A 20 291.119 138.964 402.713 1.00 0.00 H new ATOM 0 HA ILE A 20 289.743 138.513 405.207 1.00 0.00 H new ATOM 0 HB ILE A 20 288.798 140.075 404.121 1.00 0.00 H new ATOM 0 HG12 ILE A 20 287.236 138.173 404.821 1.00 0.00 H new ATOM 0 HG13 ILE A 20 286.600 139.523 403.902 1.00 0.00 H new ATOM 0 HG21 ILE A 20 288.070 140.078 401.708 1.00 0.00 H new ATOM 0 HG22 ILE A 20 289.834 139.982 401.919 1.00 0.00 H new ATOM 0 HG23 ILE A 20 288.908 138.522 401.496 1.00 0.00 H new ATOM 0 HD11 ILE A 20 285.756 137.384 403.013 1.00 0.00 H new ATOM 0 HD12 ILE A 20 286.779 138.200 401.807 1.00 0.00 H new ATOM 0 HD13 ILE A 20 287.425 136.829 402.740 1.00 0.00 H new ATOM 330 N PHE A 21 290.191 136.016 403.144 1.00 0.00 N ATOM 331 CA PHE A 21 290.131 134.560 403.120 1.00 0.00 C ATOM 332 C PHE A 21 291.029 133.896 404.225 1.00 0.00 C ATOM 333 O PHE A 21 290.479 133.137 405.016 1.00 0.00 O ATOM 334 CB PHE A 21 290.102 134.030 401.622 1.00 0.00 C ATOM 335 CG PHE A 21 289.454 132.677 401.311 1.00 0.00 C ATOM 336 CD1 PHE A 21 289.047 131.838 402.312 1.00 0.00 C ATOM 337 CD2 PHE A 21 289.317 132.177 400.014 1.00 0.00 C ATOM 338 CE1 PHE A 21 288.775 130.510 402.122 1.00 0.00 C ATOM 339 CE2 PHE A 21 288.979 130.839 399.814 1.00 0.00 C ATOM 340 CZ PHE A 21 288.814 129.968 400.876 1.00 0.00 C ATOM 0 H PHE A 21 290.701 136.420 402.358 1.00 0.00 H new ATOM 0 HA PHE A 21 289.178 134.171 403.477 1.00 0.00 H new ATOM 0 HB2 PHE A 21 289.592 134.782 401.020 1.00 0.00 H new ATOM 0 HB3 PHE A 21 291.133 133.986 401.271 1.00 0.00 H new ATOM 0 HD1 PHE A 21 288.934 132.245 403.306 1.00 0.00 H new ATOM 0 HD2 PHE A 21 289.473 132.827 399.166 1.00 0.00 H new ATOM 0 HE1 PHE A 21 288.527 129.888 402.969 1.00 0.00 H new ATOM 0 HE2 PHE A 21 288.843 130.474 398.807 1.00 0.00 H new ATOM 0 HZ PHE A 21 288.720 128.903 400.722 1.00 0.00 H new ATOM 350 N PHE A 22 292.372 134.144 404.405 1.00 0.00 N ATOM 351 CA PHE A 22 293.152 133.547 405.516 1.00 0.00 C ATOM 352 C PHE A 22 292.885 134.197 406.905 1.00 0.00 C ATOM 353 O PHE A 22 293.099 133.499 407.891 1.00 0.00 O ATOM 354 CB PHE A 22 294.736 133.386 405.351 1.00 0.00 C ATOM 355 CG PHE A 22 295.257 132.286 404.404 1.00 0.00 C ATOM 356 CD1 PHE A 22 295.835 132.682 403.208 1.00 0.00 C ATOM 357 CD2 PHE A 22 295.326 130.910 404.681 1.00 0.00 C ATOM 358 CE1 PHE A 22 296.236 131.773 402.246 1.00 0.00 C ATOM 359 CE2 PHE A 22 295.651 130.001 403.705 1.00 0.00 C ATOM 360 CZ PHE A 22 296.049 130.425 402.466 1.00 0.00 C ATOM 0 H PHE A 22 292.919 134.750 403.793 1.00 0.00 H new ATOM 0 HA PHE A 22 292.743 132.538 405.460 1.00 0.00 H new ATOM 0 HB2 PHE A 22 295.134 134.340 405.006 1.00 0.00 H new ATOM 0 HB3 PHE A 22 295.158 133.203 406.339 1.00 0.00 H new ATOM 0 HD1 PHE A 22 295.977 133.736 403.021 1.00 0.00 H new ATOM 0 HD2 PHE A 22 295.119 130.561 405.682 1.00 0.00 H new ATOM 0 HE1 PHE A 22 296.692 132.117 401.329 1.00 0.00 H new ATOM 0 HE2 PHE A 22 295.592 128.944 403.916 1.00 0.00 H new ATOM 0 HZ PHE A 22 296.214 129.713 401.671 1.00 0.00 H new ATOM 370 N ALA A 23 292.468 135.508 407.057 1.00 0.00 N ATOM 371 CA ALA A 23 292.390 136.110 408.401 1.00 0.00 C ATOM 372 C ALA A 23 291.026 136.482 408.995 1.00 0.00 C ATOM 373 O ALA A 23 290.916 136.616 410.212 1.00 0.00 O ATOM 374 CB ALA A 23 293.324 137.343 408.460 1.00 0.00 C ATOM 0 H ALA A 23 292.197 136.124 406.290 1.00 0.00 H new ATOM 0 HA ALA A 23 292.696 135.281 409.039 1.00 0.00 H new ATOM 0 HB1 ALA A 23 293.271 137.793 409.451 1.00 0.00 H new ATOM 0 HB2 ALA A 23 294.349 137.033 408.257 1.00 0.00 H new ATOM 0 HB3 ALA A 23 293.011 138.073 407.713 1.00 0.00 H new ATOM 380 N THR A 24 289.943 136.673 408.195 1.00 0.00 N ATOM 381 CA THR A 24 288.620 137.130 408.676 1.00 0.00 C ATOM 382 C THR A 24 287.712 135.923 408.896 1.00 0.00 C ATOM 383 O THR A 24 287.776 134.959 408.135 1.00 0.00 O ATOM 384 CB THR A 24 288.050 138.146 407.671 1.00 0.00 C ATOM 385 OG1 THR A 24 288.847 139.327 407.683 1.00 0.00 O ATOM 386 CG2 THR A 24 286.589 138.604 407.871 1.00 0.00 C ATOM 0 H THR A 24 289.969 136.511 407.188 1.00 0.00 H new ATOM 0 HA THR A 24 288.702 137.636 409.638 1.00 0.00 H new ATOM 0 HB THR A 24 288.069 137.594 406.732 1.00 0.00 H new ATOM 0 HG1 THR A 24 288.484 139.973 407.041 1.00 0.00 H new ATOM 0 HG21 THR A 24 286.322 139.318 407.092 1.00 0.00 H new ATOM 0 HG22 THR A 24 285.926 137.741 407.815 1.00 0.00 H new ATOM 0 HG23 THR A 24 286.486 139.077 408.848 1.00 0.00 H new ATOM 394 N VAL A 25 286.802 135.910 409.932 1.00 0.00 N ATOM 395 CA VAL A 25 285.928 134.754 410.294 1.00 0.00 C ATOM 396 C VAL A 25 284.850 134.381 409.291 1.00 0.00 C ATOM 397 O VAL A 25 284.156 133.384 409.443 1.00 0.00 O ATOM 398 CB VAL A 25 285.329 134.659 411.709 1.00 0.00 C ATOM 399 CG1 VAL A 25 285.394 133.193 412.226 1.00 0.00 C ATOM 400 CG2 VAL A 25 286.088 135.583 412.678 1.00 0.00 C ATOM 0 H VAL A 25 286.661 136.717 410.540 1.00 0.00 H new ATOM 0 HA VAL A 25 286.735 134.021 410.268 1.00 0.00 H new ATOM 0 HB VAL A 25 284.287 134.975 411.661 1.00 0.00 H new ATOM 0 HG11 VAL A 25 284.967 133.141 413.228 1.00 0.00 H new ATOM 0 HG12 VAL A 25 284.828 132.546 411.556 1.00 0.00 H new ATOM 0 HG13 VAL A 25 286.433 132.864 412.257 1.00 0.00 H new ATOM 0 HG21 VAL A 25 285.652 135.503 413.674 1.00 0.00 H new ATOM 0 HG22 VAL A 25 287.136 135.287 412.717 1.00 0.00 H new ATOM 0 HG23 VAL A 25 286.014 136.614 412.331 1.00 0.00 H new ATOM 410 N ALA A 26 284.718 135.164 408.185 1.00 0.00 N ATOM 411 CA ALA A 26 283.901 134.967 406.997 1.00 0.00 C ATOM 412 C ALA A 26 284.107 133.561 406.400 1.00 0.00 C ATOM 413 O ALA A 26 283.193 132.799 406.096 1.00 0.00 O ATOM 414 CB ALA A 26 284.415 136.047 405.985 1.00 0.00 C ATOM 0 H ALA A 26 285.245 136.035 408.116 1.00 0.00 H new ATOM 0 HA ALA A 26 282.838 135.058 407.222 1.00 0.00 H new ATOM 0 HB1 ALA A 26 283.852 135.971 405.055 1.00 0.00 H new ATOM 0 HB2 ALA A 26 284.278 137.040 406.412 1.00 0.00 H new ATOM 0 HB3 ALA A 26 285.473 135.882 405.783 1.00 0.00 H new ATOM 420 N ALA A 27 285.408 133.233 406.350 1.00 0.00 N ATOM 421 CA ALA A 27 286.029 132.027 405.904 1.00 0.00 C ATOM 422 C ALA A 27 286.689 131.122 406.946 1.00 0.00 C ATOM 423 O ALA A 27 286.625 129.895 406.851 1.00 0.00 O ATOM 424 CB ALA A 27 287.075 132.573 404.945 1.00 0.00 C ATOM 0 H ALA A 27 286.111 133.902 406.664 1.00 0.00 H new ATOM 0 HA ALA A 27 285.273 131.351 405.504 1.00 0.00 H new ATOM 0 HB1 ALA A 27 287.642 131.747 404.516 1.00 0.00 H new ATOM 0 HB2 ALA A 27 286.582 133.128 404.147 1.00 0.00 H new ATOM 0 HB3 ALA A 27 287.752 133.236 405.484 1.00 0.00 H new ATOM 430 N HIS A 28 287.372 131.717 407.974 1.00 0.00 N ATOM 431 CA HIS A 28 288.257 131.088 408.980 1.00 0.00 C ATOM 432 C HIS A 28 287.752 129.893 409.803 1.00 0.00 C ATOM 433 O HIS A 28 288.525 129.076 410.289 1.00 0.00 O ATOM 434 CB HIS A 28 288.811 132.165 409.955 1.00 0.00 C ATOM 435 CG HIS A 28 290.292 132.056 410.197 1.00 0.00 C ATOM 436 ND1 HIS A 28 291.045 133.082 410.729 1.00 0.00 N ATOM 437 CD2 HIS A 28 291.167 131.038 409.961 1.00 0.00 C ATOM 438 CE1 HIS A 28 292.323 132.638 410.793 1.00 0.00 C ATOM 439 NE2 HIS A 28 292.441 131.405 410.340 1.00 0.00 N ATOM 0 H HIS A 28 287.306 132.724 408.122 1.00 0.00 H new ATOM 0 HA HIS A 28 289.014 130.637 408.339 1.00 0.00 H new ATOM 0 HB2 HIS A 28 288.589 133.154 409.554 1.00 0.00 H new ATOM 0 HB3 HIS A 28 288.289 132.083 410.908 1.00 0.00 H new ATOM 0 HD2 HIS A 28 290.901 130.081 409.538 1.00 0.00 H new ATOM 0 HE1 HIS A 28 293.148 133.224 411.170 1.00 0.00 H new ATOM 0 HE2 HIS A 28 293.291 130.844 410.282 1.00 0.00 H new ATOM 447 N LYS A 29 286.406 129.766 409.909 1.00 0.00 N ATOM 448 CA LYS A 29 285.647 128.675 410.516 1.00 0.00 C ATOM 449 C LYS A 29 285.598 127.404 409.632 1.00 0.00 C ATOM 450 O LYS A 29 285.232 126.324 410.089 1.00 0.00 O ATOM 451 CB LYS A 29 284.198 129.190 410.803 1.00 0.00 C ATOM 452 CG LYS A 29 283.390 129.421 409.505 1.00 0.00 C ATOM 453 CD LYS A 29 282.288 130.491 409.407 1.00 0.00 C ATOM 454 CE LYS A 29 282.090 131.363 410.647 1.00 0.00 C ATOM 455 NZ LYS A 29 281.156 132.478 410.383 1.00 0.00 N1+ ATOM 0 H LYS A 29 285.786 130.487 409.539 1.00 0.00 H new ATOM 0 HA LYS A 29 286.150 128.382 411.437 1.00 0.00 H new ATOM 0 HB2 LYS A 29 283.675 128.468 411.430 1.00 0.00 H new ATOM 0 HB3 LYS A 29 284.251 130.122 411.366 1.00 0.00 H new ATOM 0 HG2 LYS A 29 284.113 129.643 408.720 1.00 0.00 H new ATOM 0 HG3 LYS A 29 282.926 128.468 409.251 1.00 0.00 H new ATOM 0 HD2 LYS A 29 282.514 131.141 408.562 1.00 0.00 H new ATOM 0 HD3 LYS A 29 281.345 129.993 409.182 1.00 0.00 H new ATOM 0 HE2 LYS A 29 281.707 130.752 411.465 1.00 0.00 H new ATOM 0 HE3 LYS A 29 283.052 131.762 410.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 281.545 133.358 410.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 281.027 132.587 409.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 280.238 132.275 410.828 1.00 0.00 H new ATOM 469 N TYR A 30 285.962 127.549 408.322 1.00 0.00 N ATOM 470 CA TYR A 30 285.984 126.492 407.303 1.00 0.00 C ATOM 471 C TYR A 30 287.450 126.123 407.040 1.00 0.00 C ATOM 472 O TYR A 30 288.151 125.553 407.869 1.00 0.00 O ATOM 473 CB TYR A 30 285.325 127.001 405.969 1.00 0.00 C ATOM 474 CG TYR A 30 283.832 126.954 405.900 1.00 0.00 C ATOM 475 CD1 TYR A 30 283.203 126.179 404.944 1.00 0.00 C ATOM 476 CD2 TYR A 30 283.072 127.878 406.571 1.00 0.00 C ATOM 477 CE1 TYR A 30 281.853 126.312 404.729 1.00 0.00 C ATOM 478 CE2 TYR A 30 281.694 127.899 406.492 1.00 0.00 C ATOM 479 CZ TYR A 30 281.070 127.074 405.583 1.00 0.00 C ATOM 480 OH TYR A 30 279.670 127.146 405.419 1.00 0.00 O ATOM 0 H TYR A 30 286.258 128.450 407.948 1.00 0.00 H new ATOM 0 HA TYR A 30 285.422 125.626 407.654 1.00 0.00 H new ATOM 0 HB2 TYR A 30 285.642 128.031 405.804 1.00 0.00 H new ATOM 0 HB3 TYR A 30 285.723 126.409 405.145 1.00 0.00 H new ATOM 0 HD1 TYR A 30 283.774 125.468 404.365 1.00 0.00 H new ATOM 0 HD2 TYR A 30 283.570 128.616 407.183 1.00 0.00 H new ATOM 0 HE1 TYR A 30 281.396 125.817 403.885 1.00 0.00 H new ATOM 0 HE2 TYR A 30 281.116 128.550 407.131 1.00 0.00 H new ATOM 0 HH TYR A 30 279.289 127.726 406.111 1.00 0.00 H new ATOM 490 N VAL A 31 287.979 126.500 405.851 1.00 0.00 N ATOM 491 CA VAL A 31 289.357 126.365 405.428 1.00 0.00 C ATOM 492 C VAL A 31 289.745 127.782 405.288 1.00 0.00 C ATOM 493 O VAL A 31 288.914 128.578 404.849 1.00 0.00 O ATOM 494 CB VAL A 31 289.644 125.686 404.068 1.00 0.00 C ATOM 495 CG1 VAL A 31 288.602 124.581 403.849 1.00 0.00 C ATOM 496 CG2 VAL A 31 290.061 126.538 402.807 1.00 0.00 C ATOM 0 H VAL A 31 287.401 126.932 405.130 1.00 0.00 H new ATOM 0 HA VAL A 31 289.881 125.725 406.138 1.00 0.00 H new ATOM 0 HB VAL A 31 290.640 125.256 404.172 1.00 0.00 H new ATOM 0 HG11 VAL A 31 288.788 124.090 402.894 1.00 0.00 H new ATOM 0 HG12 VAL A 31 288.673 123.849 404.653 1.00 0.00 H new ATOM 0 HG13 VAL A 31 287.604 125.018 403.844 1.00 0.00 H new ATOM 0 HG21 VAL A 31 290.217 125.876 401.956 1.00 0.00 H new ATOM 0 HG22 VAL A 31 289.271 127.251 402.572 1.00 0.00 H new ATOM 0 HG23 VAL A 31 290.984 127.077 403.021 1.00 0.00 H new ATOM 506 N PRO A 32 290.958 128.171 405.584 1.00 0.00 N ATOM 507 CA PRO A 32 291.327 129.541 405.392 1.00 0.00 C ATOM 508 C PRO A 32 291.692 129.925 403.955 1.00 0.00 C ATOM 509 O PRO A 32 291.345 131.025 403.604 1.00 0.00 O ATOM 510 CB PRO A 32 292.528 129.636 406.337 1.00 0.00 C ATOM 511 CG PRO A 32 293.177 128.246 406.397 1.00 0.00 C ATOM 512 CD PRO A 32 291.981 127.332 406.212 1.00 0.00 C ATOM 0 HA PRO A 32 290.507 130.231 405.592 1.00 0.00 H new ATOM 0 HB2 PRO A 32 293.242 130.377 405.977 1.00 0.00 H new ATOM 0 HB3 PRO A 32 292.211 129.954 407.330 1.00 0.00 H new ATOM 0 HG2 PRO A 32 293.921 128.109 405.612 1.00 0.00 H new ATOM 0 HG3 PRO A 32 293.681 128.072 407.348 1.00 0.00 H new ATOM 0 HD2 PRO A 32 292.231 126.477 405.584 1.00 0.00 H new ATOM 0 HD3 PRO A 32 291.635 126.936 407.167 1.00 0.00 H new ATOM 520 N SER A 33 292.364 129.139 403.098 1.00 0.00 N ATOM 521 CA SER A 33 292.775 129.629 401.771 1.00 0.00 C ATOM 522 C SER A 33 293.490 128.586 400.955 1.00 0.00 C ATOM 523 O SER A 33 293.560 127.406 401.332 1.00 0.00 O ATOM 524 CB SER A 33 293.215 131.116 401.491 1.00 0.00 C ATOM 525 OG SER A 33 292.231 131.833 400.768 1.00 0.00 O ATOM 0 H SER A 33 292.632 128.175 403.296 1.00 0.00 H new ATOM 0 HA SER A 33 291.769 129.803 401.388 1.00 0.00 H new ATOM 0 HB2 SER A 33 293.409 131.621 402.437 1.00 0.00 H new ATOM 0 HB3 SER A 33 294.150 131.118 400.931 1.00 0.00 H new ATOM 0 HG SER A 33 291.374 131.779 401.240 1.00 0.00 H new ATOM 531 N TYR A 34 293.989 128.998 399.742 1.00 0.00 N ATOM 532 CA TYR A 34 294.697 128.266 398.672 1.00 0.00 C ATOM 533 C TYR A 34 295.808 127.302 399.098 1.00 0.00 C ATOM 534 O TYR A 34 296.118 126.340 398.414 1.00 0.00 O ATOM 535 CB TYR A 34 295.255 129.220 397.551 1.00 0.00 C ATOM 536 CG TYR A 34 294.361 130.399 397.222 1.00 0.00 C ATOM 537 CD1 TYR A 34 294.419 131.499 398.054 1.00 0.00 C ATOM 538 CD2 TYR A 34 293.560 130.473 396.080 1.00 0.00 C ATOM 539 CE1 TYR A 34 293.664 132.616 397.794 1.00 0.00 C ATOM 540 CE2 TYR A 34 292.860 131.636 395.761 1.00 0.00 C ATOM 541 CZ TYR A 34 292.929 132.697 396.647 1.00 0.00 C ATOM 542 OH TYR A 34 292.389 133.947 396.316 1.00 0.00 O ATOM 0 H TYR A 34 293.882 129.976 399.474 1.00 0.00 H new ATOM 0 HA TYR A 34 293.896 127.636 398.285 1.00 0.00 H new ATOM 0 HB2 TYR A 34 296.229 129.596 397.864 1.00 0.00 H new ATOM 0 HB3 TYR A 34 295.415 128.638 396.643 1.00 0.00 H new ATOM 0 HD1 TYR A 34 295.065 131.481 398.919 1.00 0.00 H new ATOM 0 HD2 TYR A 34 293.481 129.613 395.432 1.00 0.00 H new ATOM 0 HE1 TYR A 34 293.652 133.433 398.500 1.00 0.00 H new ATOM 0 HE2 TYR A 34 292.282 131.707 394.851 1.00 0.00 H new ATOM 0 HH TYR A 34 292.817 134.283 395.501 1.00 0.00 H new ATOM 552 N ALA A 35 296.353 127.485 400.316 1.00 0.00 N ATOM 553 CA ALA A 35 297.288 126.631 401.011 1.00 0.00 C ATOM 554 C ALA A 35 296.703 125.333 401.504 1.00 0.00 C ATOM 555 O ALA A 35 297.278 124.275 401.288 1.00 0.00 O ATOM 556 CB ALA A 35 297.799 127.418 402.250 1.00 0.00 C ATOM 0 H ALA A 35 296.120 128.308 400.871 1.00 0.00 H new ATOM 0 HA ALA A 35 298.071 126.370 400.299 1.00 0.00 H new ATOM 0 HB1 ALA A 35 298.510 126.804 402.803 1.00 0.00 H new ATOM 0 HB2 ALA A 35 298.289 128.335 401.922 1.00 0.00 H new ATOM 0 HB3 ALA A 35 296.957 127.668 402.895 1.00 0.00 H new ATOM 562 N PHE A 36 295.477 125.396 402.097 1.00 0.00 N ATOM 563 CA PHE A 36 294.647 124.264 402.466 1.00 0.00 C ATOM 564 C PHE A 36 294.042 123.706 401.181 1.00 0.00 C ATOM 565 O PHE A 36 294.121 122.515 400.892 1.00 0.00 O ATOM 566 CB PHE A 36 293.511 124.713 403.463 1.00 0.00 C ATOM 567 CG PHE A 36 292.535 123.554 403.798 1.00 0.00 C ATOM 568 CD1 PHE A 36 292.771 122.733 404.880 1.00 0.00 C ATOM 569 CD2 PHE A 36 291.453 123.219 402.969 1.00 0.00 C ATOM 570 CE1 PHE A 36 291.955 121.648 405.138 1.00 0.00 C ATOM 571 CE2 PHE A 36 290.617 122.141 403.220 1.00 0.00 C ATOM 572 CZ PHE A 36 290.875 121.359 404.326 1.00 0.00 C ATOM 0 H PHE A 36 295.041 126.288 402.332 1.00 0.00 H new ATOM 0 HA PHE A 36 295.241 123.502 402.971 1.00 0.00 H new ATOM 0 HB2 PHE A 36 293.963 125.083 404.383 1.00 0.00 H new ATOM 0 HB3 PHE A 36 292.953 125.541 403.026 1.00 0.00 H new ATOM 0 HD1 PHE A 36 293.605 122.940 405.535 1.00 0.00 H new ATOM 0 HD2 PHE A 36 291.263 123.827 402.097 1.00 0.00 H new ATOM 0 HE1 PHE A 36 292.165 121.016 405.988 1.00 0.00 H new ATOM 0 HE2 PHE A 36 289.786 121.920 402.566 1.00 0.00 H new ATOM 0 HZ PHE A 36 290.234 120.521 404.557 1.00 0.00 H new ATOM 582 N LEU A 37 293.421 124.600 400.361 1.00 0.00 N ATOM 583 CA LEU A 37 292.705 124.181 399.146 1.00 0.00 C ATOM 584 C LEU A 37 293.540 123.538 398.010 1.00 0.00 C ATOM 585 O LEU A 37 293.071 122.627 397.322 1.00 0.00 O ATOM 586 CB LEU A 37 291.517 125.139 398.833 1.00 0.00 C ATOM 587 CG LEU A 37 291.816 126.578 398.435 1.00 0.00 C ATOM 588 CD1 LEU A 37 292.082 126.854 396.952 1.00 0.00 C ATOM 589 CD2 LEU A 37 290.908 127.663 399.049 1.00 0.00 C ATOM 0 H LEU A 37 293.408 125.606 400.527 1.00 0.00 H new ATOM 0 HA LEU A 37 292.195 123.241 399.356 1.00 0.00 H new ATOM 0 HB2 LEU A 37 290.934 124.689 398.029 1.00 0.00 H new ATOM 0 HB3 LEU A 37 290.876 125.167 399.714 1.00 0.00 H new ATOM 0 HG LEU A 37 292.785 126.675 398.924 1.00 0.00 H new ATOM 0 HD11 LEU A 37 292.280 127.916 396.809 1.00 0.00 H new ATOM 0 HD12 LEU A 37 292.946 126.276 396.624 1.00 0.00 H new ATOM 0 HD13 LEU A 37 291.209 126.566 396.366 1.00 0.00 H new ATOM 0 HD21 LEU A 37 291.220 128.644 398.691 1.00 0.00 H new ATOM 0 HD22 LEU A 37 289.874 127.481 398.755 1.00 0.00 H new ATOM 0 HD23 LEU A 37 290.987 127.632 400.136 1.00 0.00 H new ATOM 601 N ARG A 38 294.859 123.897 397.847 1.00 0.00 N ATOM 602 CA ARG A 38 295.744 123.210 396.900 1.00 0.00 C ATOM 603 C ARG A 38 296.167 121.808 397.316 1.00 0.00 C ATOM 604 O ARG A 38 296.041 120.862 396.542 1.00 0.00 O ATOM 605 CB ARG A 38 297.002 124.085 396.748 1.00 0.00 C ATOM 606 CG ARG A 38 298.121 123.619 395.808 1.00 0.00 C ATOM 607 CD ARG A 38 299.156 124.738 395.612 1.00 0.00 C ATOM 608 NE ARG A 38 299.878 124.998 396.914 1.00 0.00 N ATOM 609 CZ ARG A 38 299.868 126.189 397.593 1.00 0.00 C ATOM 610 NH1 ARG A 38 299.182 127.269 397.122 1.00 0.00 N1+ ATOM 611 NH2 ARG A 38 300.549 126.288 398.774 1.00 0.00 N ATOM 0 H ARG A 38 295.307 124.653 398.364 1.00 0.00 H new ATOM 0 HA ARG A 38 295.188 123.079 395.972 1.00 0.00 H new ATOM 0 HB2 ARG A 38 296.679 125.071 396.413 1.00 0.00 H new ATOM 0 HB3 ARG A 38 297.436 124.212 397.740 1.00 0.00 H new ATOM 0 HG2 ARG A 38 298.606 122.734 396.220 1.00 0.00 H new ATOM 0 HG3 ARG A 38 297.700 123.332 394.845 1.00 0.00 H new ATOM 0 HD2 ARG A 38 299.870 124.454 394.839 1.00 0.00 H new ATOM 0 HD3 ARG A 38 298.662 125.648 395.271 1.00 0.00 H new ATOM 0 HE ARG A 38 300.413 124.229 397.318 1.00 0.00 H new ATOM 0 HH11 ARG A 38 298.662 127.201 396.247 1.00 0.00 H new ATOM 0 HH12 ARG A 38 299.189 128.145 397.644 1.00 0.00 H new ATOM 0 HH21 ARG A 38 301.056 125.482 399.139 1.00 0.00 H new ATOM 0 HH22 ARG A 38 300.550 127.168 399.290 1.00 0.00 H new ATOM 625 N ARG A 39 296.630 121.632 398.588 1.00 0.00 N ATOM 626 CA ARG A 39 296.973 120.336 399.177 1.00 0.00 C ATOM 627 C ARG A 39 295.765 119.430 399.425 1.00 0.00 C ATOM 628 O ARG A 39 295.845 118.217 399.241 1.00 0.00 O ATOM 629 CB ARG A 39 297.900 120.461 400.410 1.00 0.00 C ATOM 630 CG ARG A 39 297.271 121.095 401.661 1.00 0.00 C ATOM 631 CD ARG A 39 298.319 121.704 402.603 1.00 0.00 C ATOM 632 NE ARG A 39 299.203 120.615 403.141 1.00 0.00 N ATOM 633 CZ ARG A 39 300.269 120.861 403.965 1.00 0.00 C ATOM 634 NH1 ARG A 39 300.579 122.135 404.344 1.00 0.00 N1+ ATOM 635 NH2 ARG A 39 301.028 119.819 404.412 1.00 0.00 N ATOM 0 H ARG A 39 296.772 122.411 399.231 1.00 0.00 H new ATOM 0 HA ARG A 39 297.556 119.823 398.413 1.00 0.00 H new ATOM 0 HB2 ARG A 39 298.260 119.466 400.672 1.00 0.00 H new ATOM 0 HB3 ARG A 39 298.772 121.051 400.127 1.00 0.00 H new ATOM 0 HG2 ARG A 39 296.567 121.870 401.357 1.00 0.00 H new ATOM 0 HG3 ARG A 39 296.700 120.339 402.199 1.00 0.00 H new ATOM 0 HD2 ARG A 39 298.918 122.442 402.069 1.00 0.00 H new ATOM 0 HD3 ARG A 39 297.826 122.226 403.424 1.00 0.00 H new ATOM 0 HE ARG A 39 299.000 119.650 402.881 1.00 0.00 H new ATOM 0 HH11 ARG A 39 300.014 122.917 404.013 1.00 0.00 H new ATOM 0 HH12 ARG A 39 301.376 122.305 404.958 1.00 0.00 H new ATOM 0 HH21 ARG A 39 300.800 118.865 404.132 1.00 0.00 H new ATOM 0 HH22 ARG A 39 301.824 119.994 405.026 1.00 0.00 H new ATOM 649 N GLU A 40 294.585 120.021 399.794 1.00 0.00 N ATOM 650 CA GLU A 40 293.318 119.319 399.976 1.00 0.00 C ATOM 651 C GLU A 40 292.630 118.937 398.668 1.00 0.00 C ATOM 652 O GLU A 40 292.049 117.853 398.610 1.00 0.00 O ATOM 653 CB GLU A 40 292.364 120.059 400.949 1.00 0.00 C ATOM 654 CG GLU A 40 291.084 119.282 401.346 1.00 0.00 C ATOM 655 CD GLU A 40 289.926 119.578 400.392 1.00 0.00 C ATOM 656 OE1 GLU A 40 289.689 120.782 400.111 1.00 0.00 O ATOM 657 OE2 GLU A 40 289.269 118.607 399.931 1.00 0.00 O1- ATOM 0 H GLU A 40 294.511 121.023 399.972 1.00 0.00 H new ATOM 0 HA GLU A 40 293.583 118.373 400.449 1.00 0.00 H new ATOM 0 HB2 GLU A 40 292.916 120.303 401.856 1.00 0.00 H new ATOM 0 HB3 GLU A 40 292.068 121.003 400.492 1.00 0.00 H new ATOM 0 HG2 GLU A 40 291.292 118.212 401.345 1.00 0.00 H new ATOM 0 HG3 GLU A 40 290.796 119.550 402.363 1.00 0.00 H new ATOM 664 N LEU A 41 292.680 119.750 397.547 1.00 0.00 N ATOM 665 CA LEU A 41 292.086 119.205 396.312 1.00 0.00 C ATOM 666 C LEU A 41 293.088 118.353 395.510 1.00 0.00 C ATOM 667 O LEU A 41 292.688 117.648 394.586 1.00 0.00 O ATOM 668 CB LEU A 41 291.618 120.327 395.330 1.00 0.00 C ATOM 669 CG LEU A 41 290.414 121.192 395.764 1.00 0.00 C ATOM 670 CD1 LEU A 41 290.173 122.243 394.667 1.00 0.00 C ATOM 671 CD2 LEU A 41 289.123 120.386 396.006 1.00 0.00 C ATOM 0 H LEU A 41 293.085 120.684 397.491 1.00 0.00 H new ATOM 0 HA LEU A 41 291.243 118.608 396.660 1.00 0.00 H new ATOM 0 HB2 LEU A 41 292.463 120.991 395.150 1.00 0.00 H new ATOM 0 HB3 LEU A 41 291.371 119.859 394.377 1.00 0.00 H new ATOM 0 HG LEU A 41 290.660 121.650 396.722 1.00 0.00 H new ATOM 0 HD11 LEU A 41 289.327 122.871 394.945 1.00 0.00 H new ATOM 0 HD12 LEU A 41 291.063 122.862 394.554 1.00 0.00 H new ATOM 0 HD13 LEU A 41 289.958 121.741 393.723 1.00 0.00 H new ATOM 0 HD21 LEU A 41 288.323 121.062 396.307 1.00 0.00 H new ATOM 0 HD22 LEU A 41 288.837 119.872 395.088 1.00 0.00 H new ATOM 0 HD23 LEU A 41 289.294 119.653 396.794 1.00 0.00 H new ATOM 683 N GLY A 42 294.411 118.371 395.880 1.00 0.00 N ATOM 684 CA GLY A 42 295.509 117.576 395.285 1.00 0.00 C ATOM 685 C GLY A 42 295.873 118.064 393.898 1.00 0.00 C ATOM 686 O GLY A 42 296.181 117.287 392.997 1.00 0.00 O ATOM 0 H GLY A 42 294.741 118.971 396.636 1.00 0.00 H new ATOM 0 HA2 GLY A 42 296.386 117.629 395.930 1.00 0.00 H new ATOM 0 HA3 GLY A 42 295.213 116.528 395.235 1.00 0.00 H new ATOM 690 N LEU A 43 295.684 119.387 393.702 1.00 0.00 N ATOM 691 CA LEU A 43 295.542 120.012 392.397 1.00 0.00 C ATOM 692 C LEU A 43 296.619 121.006 391.979 1.00 0.00 C ATOM 693 O LEU A 43 297.203 121.725 392.786 1.00 0.00 O ATOM 694 CB LEU A 43 294.138 120.672 392.468 1.00 0.00 C ATOM 695 CG LEU A 43 293.397 120.999 391.158 1.00 0.00 C ATOM 696 CD1 LEU A 43 293.268 119.788 390.221 1.00 0.00 C ATOM 697 CD2 LEU A 43 292.003 121.517 391.544 1.00 0.00 C ATOM 0 H LEU A 43 295.627 120.053 394.473 1.00 0.00 H new ATOM 0 HA LEU A 43 295.658 119.258 391.618 1.00 0.00 H new ATOM 0 HB2 LEU A 43 293.495 120.015 393.054 1.00 0.00 H new ATOM 0 HB3 LEU A 43 294.240 121.601 393.029 1.00 0.00 H new ATOM 0 HG LEU A 43 293.970 121.744 390.606 1.00 0.00 H new ATOM 0 HD11 LEU A 43 292.737 120.083 389.316 1.00 0.00 H new ATOM 0 HD12 LEU A 43 294.261 119.425 389.957 1.00 0.00 H new ATOM 0 HD13 LEU A 43 292.714 118.996 390.725 1.00 0.00 H new ATOM 0 HD21 LEU A 43 291.443 121.761 390.641 1.00 0.00 H new ATOM 0 HD22 LEU A 43 291.471 120.748 392.104 1.00 0.00 H new ATOM 0 HD23 LEU A 43 292.105 122.410 392.161 1.00 0.00 H new ATOM 709 N SER A 44 296.883 121.090 390.635 1.00 0.00 N ATOM 710 CA SER A 44 297.865 121.955 389.953 1.00 0.00 C ATOM 711 C SER A 44 297.228 123.242 389.406 1.00 0.00 C ATOM 712 O SER A 44 297.686 123.832 388.425 1.00 0.00 O ATOM 713 CB SER A 44 298.655 121.195 388.828 1.00 0.00 C ATOM 714 OG SER A 44 299.784 121.928 388.331 1.00 0.00 O ATOM 0 H SER A 44 296.373 120.510 389.968 1.00 0.00 H new ATOM 0 HA SER A 44 298.587 122.246 390.716 1.00 0.00 H new ATOM 0 HB2 SER A 44 298.997 120.236 389.218 1.00 0.00 H new ATOM 0 HB3 SER A 44 297.978 120.980 388.001 1.00 0.00 H new ATOM 0 HG SER A 44 299.519 122.854 388.150 1.00 0.00 H new ATOM 720 N SER A 45 296.171 123.729 390.115 1.00 0.00 N ATOM 721 CA SER A 45 295.394 124.964 389.972 1.00 0.00 C ATOM 722 C SER A 45 296.156 126.215 390.430 1.00 0.00 C ATOM 723 O SER A 45 295.722 127.346 390.241 1.00 0.00 O ATOM 724 CB SER A 45 294.045 124.861 390.754 1.00 0.00 C ATOM 725 OG SER A 45 294.208 124.242 392.031 1.00 0.00 O ATOM 0 H SER A 45 295.809 123.183 390.897 1.00 0.00 H new ATOM 0 HA SER A 45 295.200 125.075 388.905 1.00 0.00 H new ATOM 0 HB2 SER A 45 293.627 125.859 390.886 1.00 0.00 H new ATOM 0 HB3 SER A 45 293.328 124.290 390.164 1.00 0.00 H new ATOM 0 HG SER A 45 293.341 124.199 392.487 1.00 0.00 H new ATOM 731 N ALA A 46 297.331 125.988 391.064 1.00 0.00 N ATOM 732 CA ALA A 46 298.252 126.826 391.815 1.00 0.00 C ATOM 733 C ALA A 46 299.021 127.892 391.049 1.00 0.00 C ATOM 734 O ALA A 46 299.885 128.566 391.602 1.00 0.00 O ATOM 735 CB ALA A 46 299.294 125.849 392.409 1.00 0.00 C ATOM 0 H ALA A 46 297.701 125.038 391.044 1.00 0.00 H new ATOM 0 HA ALA A 46 297.645 127.390 392.523 1.00 0.00 H new ATOM 0 HB1 ALA A 46 300.026 126.408 392.992 1.00 0.00 H new ATOM 0 HB2 ALA A 46 298.791 125.128 393.054 1.00 0.00 H new ATOM 0 HB3 ALA A 46 299.800 125.321 391.601 1.00 0.00 H new ATOM 741 N HIS A 47 298.706 128.028 389.748 1.00 0.00 N ATOM 742 CA HIS A 47 299.252 128.907 388.743 1.00 0.00 C ATOM 743 C HIS A 47 298.800 130.371 388.847 1.00 0.00 C ATOM 744 O HIS A 47 299.627 131.273 388.952 1.00 0.00 O ATOM 745 CB HIS A 47 298.812 128.279 387.395 1.00 0.00 C ATOM 746 CG HIS A 47 299.457 128.788 386.141 1.00 0.00 C ATOM 747 ND1 HIS A 47 299.211 128.214 384.915 1.00 0.00 N ATOM 748 CD2 HIS A 47 300.329 129.806 385.909 1.00 0.00 C ATOM 749 CE1 HIS A 47 299.939 128.905 384.003 1.00 0.00 C ATOM 750 NE2 HIS A 47 300.629 129.879 384.560 1.00 0.00 N ATOM 0 H HIS A 47 297.972 127.445 389.346 1.00 0.00 H new ATOM 0 HA HIS A 47 300.333 128.976 388.861 1.00 0.00 H new ATOM 0 HB2 HIS A 47 298.992 127.205 387.452 1.00 0.00 H new ATOM 0 HB3 HIS A 47 297.735 128.417 387.297 1.00 0.00 H new ATOM 0 HD2 HIS A 47 300.729 130.462 386.668 1.00 0.00 H new ATOM 0 HE1 HIS A 47 299.952 128.683 382.946 1.00 0.00 H new ATOM 0 HE2 HIS A 47 301.250 130.543 384.097 1.00 0.00 H new ATOM 758 N THR A 48 297.462 130.627 388.783 1.00 0.00 N ATOM 759 CA THR A 48 296.825 131.943 388.794 1.00 0.00 C ATOM 760 C THR A 48 295.520 131.885 389.603 1.00 0.00 C ATOM 761 O THR A 48 294.824 130.857 389.637 1.00 0.00 O ATOM 762 CB THR A 48 296.501 132.494 387.373 1.00 0.00 C ATOM 763 OG1 THR A 48 295.575 131.698 386.632 1.00 0.00 O ATOM 764 CG2 THR A 48 297.759 132.610 386.494 1.00 0.00 C ATOM 0 H THR A 48 296.779 129.872 388.720 1.00 0.00 H new ATOM 0 HA THR A 48 297.546 132.621 389.250 1.00 0.00 H new ATOM 0 HB THR A 48 296.061 133.469 387.581 1.00 0.00 H new ATOM 0 HG1 THR A 48 295.421 132.107 385.755 1.00 0.00 H new ATOM 0 HG21 THR A 48 297.483 132.998 385.514 1.00 0.00 H new ATOM 0 HG22 THR A 48 298.471 133.287 386.965 1.00 0.00 H new ATOM 0 HG23 THR A 48 298.215 131.627 386.380 1.00 0.00 H new ATOM 772 N ASN A 49 295.081 133.050 390.211 1.00 0.00 N ATOM 773 CA ASN A 49 293.812 133.228 390.962 1.00 0.00 C ATOM 774 C ASN A 49 292.574 132.990 390.105 1.00 0.00 C ATOM 775 O ASN A 49 291.547 132.555 390.595 1.00 0.00 O ATOM 776 CB ASN A 49 293.650 134.612 391.694 1.00 0.00 C ATOM 777 CG ASN A 49 292.834 134.484 393.001 1.00 0.00 C ATOM 778 OD1 ASN A 49 293.362 133.879 393.930 1.00 0.00 O ATOM 779 ND2 ASN A 49 291.599 135.033 393.151 1.00 0.00 N ATOM 0 H ASN A 49 295.632 133.908 390.180 1.00 0.00 H new ATOM 0 HA ASN A 49 293.889 132.459 391.730 1.00 0.00 H new ATOM 0 HB2 ASN A 49 294.635 135.020 391.920 1.00 0.00 H new ATOM 0 HB3 ASN A 49 293.157 135.319 391.027 1.00 0.00 H new ATOM 0 HD21 ASN A 49 291.106 134.944 394.039 1.00 0.00 H new ATOM 0 HD22 ASN A 49 291.166 135.534 392.375 1.00 0.00 H new ATOM 786 N ARG A 50 292.706 133.220 388.772 1.00 0.00 N ATOM 787 CA ARG A 50 291.729 133.018 387.723 1.00 0.00 C ATOM 788 C ARG A 50 291.506 131.542 387.415 1.00 0.00 C ATOM 789 O ARG A 50 290.364 131.124 387.280 1.00 0.00 O ATOM 790 CB ARG A 50 292.134 133.770 386.419 1.00 0.00 C ATOM 791 CG ARG A 50 292.581 135.237 386.624 1.00 0.00 C ATOM 792 CD ARG A 50 294.063 135.407 387.013 1.00 0.00 C ATOM 793 NE ARG A 50 294.335 136.860 387.294 1.00 0.00 N ATOM 794 CZ ARG A 50 295.437 137.295 387.982 1.00 0.00 C ATOM 795 NH1 ARG A 50 296.360 136.410 388.458 1.00 0.00 N1+ ATOM 796 NH2 ARG A 50 295.612 138.632 388.193 1.00 0.00 N ATOM 0 H ARG A 50 293.582 133.582 388.395 1.00 0.00 H new ATOM 0 HA ARG A 50 290.791 133.430 388.096 1.00 0.00 H new ATOM 0 HB2 ARG A 50 292.945 133.222 385.938 1.00 0.00 H new ATOM 0 HB3 ARG A 50 291.288 133.756 385.731 1.00 0.00 H new ATOM 0 HG2 ARG A 50 292.394 135.792 385.705 1.00 0.00 H new ATOM 0 HG3 ARG A 50 291.961 135.687 387.400 1.00 0.00 H new ATOM 0 HD2 ARG A 50 294.292 134.805 387.892 1.00 0.00 H new ATOM 0 HD3 ARG A 50 294.706 135.053 386.207 1.00 0.00 H new ATOM 0 HE ARG A 50 293.668 137.554 386.956 1.00 0.00 H new ATOM 0 HH11 ARG A 50 296.234 135.410 388.303 1.00 0.00 H new ATOM 0 HH12 ARG A 50 297.176 136.749 388.968 1.00 0.00 H new ATOM 0 HH21 ARG A 50 294.925 139.298 387.840 1.00 0.00 H new ATOM 0 HH22 ARG A 50 296.429 138.965 388.704 1.00 0.00 H new ATOM 810 N LYS A 51 292.602 130.725 387.320 1.00 0.00 N ATOM 811 CA LYS A 51 292.603 129.273 387.090 1.00 0.00 C ATOM 812 C LYS A 51 292.143 128.464 388.284 1.00 0.00 C ATOM 813 O LYS A 51 291.241 127.610 388.188 1.00 0.00 O ATOM 814 CB LYS A 51 294.002 128.778 386.653 1.00 0.00 C ATOM 815 CG LYS A 51 294.132 127.271 386.358 1.00 0.00 C ATOM 816 CD LYS A 51 295.456 126.959 385.651 1.00 0.00 C ATOM 817 CE LYS A 51 295.725 125.455 385.518 1.00 0.00 C ATOM 818 NZ LYS A 51 297.050 125.209 384.903 1.00 0.00 N1+ ATOM 0 H LYS A 51 293.548 131.097 387.409 1.00 0.00 H new ATOM 0 HA LYS A 51 291.880 129.112 386.291 1.00 0.00 H new ATOM 0 HB2 LYS A 51 294.296 129.328 385.759 1.00 0.00 H new ATOM 0 HB3 LYS A 51 294.716 129.036 387.435 1.00 0.00 H new ATOM 0 HG2 LYS A 51 294.072 126.708 387.290 1.00 0.00 H new ATOM 0 HG3 LYS A 51 293.298 126.946 385.736 1.00 0.00 H new ATOM 0 HD2 LYS A 51 295.447 127.410 384.659 1.00 0.00 H new ATOM 0 HD3 LYS A 51 296.274 127.421 386.203 1.00 0.00 H new ATOM 0 HE2 LYS A 51 295.683 124.985 386.501 1.00 0.00 H new ATOM 0 HE3 LYS A 51 294.946 124.994 384.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 297.211 124.185 384.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 297.079 125.639 383.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 297.792 125.630 385.497 1.00 0.00 H new ATOM 832 N VAL A 52 292.692 128.791 389.516 1.00 0.00 N ATOM 833 CA VAL A 52 292.239 128.168 390.779 1.00 0.00 C ATOM 834 C VAL A 52 290.827 128.530 391.073 1.00 0.00 C ATOM 835 O VAL A 52 290.028 127.619 391.228 1.00 0.00 O ATOM 836 CB VAL A 52 293.126 128.312 392.045 1.00 0.00 C ATOM 837 CG1 VAL A 52 293.340 129.787 392.460 1.00 0.00 C ATOM 838 CG2 VAL A 52 292.632 127.438 393.242 1.00 0.00 C ATOM 0 H VAL A 52 293.438 129.476 389.636 1.00 0.00 H new ATOM 0 HA VAL A 52 292.340 127.106 390.555 1.00 0.00 H new ATOM 0 HB VAL A 52 294.102 127.920 391.760 1.00 0.00 H new ATOM 0 HG11 VAL A 52 293.967 129.827 393.351 1.00 0.00 H new ATOM 0 HG12 VAL A 52 293.828 130.326 391.648 1.00 0.00 H new ATOM 0 HG13 VAL A 52 292.376 130.248 392.674 1.00 0.00 H new ATOM 0 HG21 VAL A 52 293.294 127.583 394.096 1.00 0.00 H new ATOM 0 HG22 VAL A 52 291.619 127.733 393.514 1.00 0.00 H new ATOM 0 HG23 VAL A 52 292.639 126.387 392.952 1.00 0.00 H new ATOM 848 N TRP A 53 290.448 129.845 391.015 1.00 0.00 N ATOM 849 CA TRP A 53 289.072 130.337 391.138 1.00 0.00 C ATOM 850 C TRP A 53 288.112 129.807 390.100 1.00 0.00 C ATOM 851 O TRP A 53 286.957 129.575 390.402 1.00 0.00 O ATOM 852 CB TRP A 53 288.868 131.813 391.488 1.00 0.00 C ATOM 853 CG TRP A 53 289.126 132.300 392.891 1.00 0.00 C ATOM 854 CD1 TRP A 53 288.616 133.486 393.343 1.00 0.00 C ATOM 855 CD2 TRP A 53 289.533 131.562 394.063 1.00 0.00 C ATOM 856 NE1 TRP A 53 288.808 133.601 394.694 1.00 0.00 N ATOM 857 CE2 TRP A 53 289.366 132.419 395.141 1.00 0.00 C ATOM 858 CE3 TRP A 53 289.953 130.265 394.261 1.00 0.00 C ATOM 859 CZ2 TRP A 53 289.664 132.002 396.394 1.00 0.00 C ATOM 860 CZ3 TRP A 53 290.243 129.847 395.537 1.00 0.00 C ATOM 861 CH2 TRP A 53 290.126 130.718 396.588 1.00 0.00 C ATOM 0 H TRP A 53 291.123 130.597 390.877 1.00 0.00 H new ATOM 0 HA TRP A 53 288.780 129.858 392.073 1.00 0.00 H new ATOM 0 HB2 TRP A 53 289.505 132.395 390.821 1.00 0.00 H new ATOM 0 HB3 TRP A 53 287.836 132.064 391.243 1.00 0.00 H new ATOM 0 HD1 TRP A 53 288.131 134.226 392.723 1.00 0.00 H new ATOM 0 HE1 TRP A 53 288.580 134.413 395.267 1.00 0.00 H new ATOM 0 HE3 TRP A 53 290.053 129.587 393.426 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 289.541 132.669 397.234 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 290.564 128.831 395.712 1.00 0.00 H new ATOM 0 HH2 TRP A 53 290.399 130.394 397.581 1.00 0.00 H new ATOM 872 N LYS A 54 288.564 129.524 388.860 1.00 0.00 N ATOM 873 CA LYS A 54 287.797 128.767 387.866 1.00 0.00 C ATOM 874 C LYS A 54 287.499 127.329 388.269 1.00 0.00 C ATOM 875 O LYS A 54 286.339 126.937 388.260 1.00 0.00 O ATOM 876 CB LYS A 54 288.602 128.749 386.547 1.00 0.00 C ATOM 877 CG LYS A 54 288.503 127.540 385.593 1.00 0.00 C ATOM 878 CD LYS A 54 289.015 127.822 384.173 1.00 0.00 C ATOM 879 CE LYS A 54 290.504 128.178 384.091 1.00 0.00 C ATOM 880 NZ LYS A 54 290.950 128.295 382.684 1.00 0.00 N1+ ATOM 0 H LYS A 54 289.481 129.820 388.524 1.00 0.00 H new ATOM 0 HA LYS A 54 286.833 129.266 387.765 1.00 0.00 H new ATOM 0 HB2 LYS A 54 288.312 129.633 385.979 1.00 0.00 H new ATOM 0 HB3 LYS A 54 289.653 128.869 386.808 1.00 0.00 H new ATOM 0 HG2 LYS A 54 289.070 126.710 386.015 1.00 0.00 H new ATOM 0 HG3 LYS A 54 287.463 127.219 385.536 1.00 0.00 H new ATOM 0 HD2 LYS A 54 288.830 126.945 383.553 1.00 0.00 H new ATOM 0 HD3 LYS A 54 288.435 128.641 383.748 1.00 0.00 H new ATOM 0 HE2 LYS A 54 290.685 129.118 384.612 1.00 0.00 H new ATOM 0 HE3 LYS A 54 291.092 127.414 384.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 291.961 128.537 382.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 290.798 127.390 382.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 290.404 129.041 382.208 1.00 0.00 H new ATOM 894 N LYS A 55 288.513 126.510 388.697 1.00 0.00 N ATOM 895 CA LYS A 55 288.248 125.131 389.180 1.00 0.00 C ATOM 896 C LYS A 55 287.455 125.082 390.508 1.00 0.00 C ATOM 897 O LYS A 55 286.527 124.293 390.733 1.00 0.00 O ATOM 898 CB LYS A 55 289.558 124.308 389.299 1.00 0.00 C ATOM 899 CG LYS A 55 290.415 124.327 388.022 1.00 0.00 C ATOM 900 CD LYS A 55 291.470 123.213 388.019 1.00 0.00 C ATOM 901 CE LYS A 55 292.628 123.454 387.040 1.00 0.00 C ATOM 902 NZ LYS A 55 292.143 123.579 385.646 1.00 0.00 N1+ ATOM 0 H LYS A 55 289.496 126.781 388.714 1.00 0.00 H new ATOM 0 HA LYS A 55 287.613 124.675 388.421 1.00 0.00 H new ATOM 0 HB2 LYS A 55 290.148 124.698 390.128 1.00 0.00 H new ATOM 0 HB3 LYS A 55 289.308 123.276 389.543 1.00 0.00 H new ATOM 0 HG2 LYS A 55 289.769 124.217 387.151 1.00 0.00 H new ATOM 0 HG3 LYS A 55 290.909 125.294 387.932 1.00 0.00 H new ATOM 0 HD2 LYS A 55 291.875 123.107 389.026 1.00 0.00 H new ATOM 0 HD3 LYS A 55 290.986 122.269 387.769 1.00 0.00 H new ATOM 0 HE2 LYS A 55 293.162 124.361 387.323 1.00 0.00 H new ATOM 0 HE3 LYS A 55 293.339 122.631 387.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 292.954 123.690 385.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 291.611 122.724 385.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 291.523 124.410 385.567 1.00 0.00 H new ATOM 916 N PHE A 56 287.780 126.068 391.381 1.00 0.00 N ATOM 917 CA PHE A 56 287.121 126.328 392.673 1.00 0.00 C ATOM 918 C PHE A 56 285.669 126.802 392.518 1.00 0.00 C ATOM 919 O PHE A 56 284.708 126.261 393.071 1.00 0.00 O ATOM 920 CB PHE A 56 287.952 127.352 393.509 1.00 0.00 C ATOM 921 CG PHE A 56 288.144 126.919 394.918 1.00 0.00 C ATOM 922 CD1 PHE A 56 287.749 127.707 395.979 1.00 0.00 C ATOM 923 CD2 PHE A 56 288.746 125.703 395.166 1.00 0.00 C ATOM 924 CE1 PHE A 56 287.892 127.275 397.271 1.00 0.00 C ATOM 925 CE2 PHE A 56 288.889 125.261 396.458 1.00 0.00 C ATOM 926 CZ PHE A 56 288.468 126.050 397.501 1.00 0.00 C ATOM 0 H PHE A 56 288.537 126.725 391.192 1.00 0.00 H new ATOM 0 HA PHE A 56 287.080 125.378 393.206 1.00 0.00 H new ATOM 0 HB2 PHE A 56 288.926 127.492 393.040 1.00 0.00 H new ATOM 0 HB3 PHE A 56 287.449 128.319 393.495 1.00 0.00 H new ATOM 0 HD1 PHE A 56 287.320 128.680 395.788 1.00 0.00 H new ATOM 0 HD2 PHE A 56 289.104 125.100 394.345 1.00 0.00 H new ATOM 0 HE1 PHE A 56 287.557 127.888 398.095 1.00 0.00 H new ATOM 0 HE2 PHE A 56 289.331 124.295 396.654 1.00 0.00 H new ATOM 0 HZ PHE A 56 288.592 125.702 398.516 1.00 0.00 H new ATOM 936 N VAL A 57 285.455 127.816 391.652 1.00 0.00 N ATOM 937 CA VAL A 57 284.180 128.377 391.227 1.00 0.00 C ATOM 938 C VAL A 57 283.305 127.417 390.412 1.00 0.00 C ATOM 939 O VAL A 57 282.081 127.404 390.520 1.00 0.00 O ATOM 940 CB VAL A 57 284.083 129.890 391.471 1.00 0.00 C ATOM 941 CG1 VAL A 57 283.552 130.721 390.298 1.00 0.00 C ATOM 942 CG2 VAL A 57 283.398 130.206 392.838 1.00 0.00 C ATOM 0 H VAL A 57 286.238 128.292 391.204 1.00 0.00 H new ATOM 0 HA VAL A 57 283.152 128.488 391.571 1.00 0.00 H new ATOM 0 HB VAL A 57 285.115 130.234 391.541 1.00 0.00 H new ATOM 0 HG11 VAL A 57 283.526 131.773 390.580 1.00 0.00 H new ATOM 0 HG12 VAL A 57 284.206 130.593 389.436 1.00 0.00 H new ATOM 0 HG13 VAL A 57 282.546 130.389 390.043 1.00 0.00 H new ATOM 0 HG21 VAL A 57 283.346 131.286 392.978 1.00 0.00 H new ATOM 0 HG22 VAL A 57 282.390 129.790 392.845 1.00 0.00 H new ATOM 0 HG23 VAL A 57 283.979 129.763 393.647 1.00 0.00 H new ATOM 952 N GLU A 58 283.967 126.486 389.648 1.00 0.00 N ATOM 953 CA GLU A 58 283.368 125.239 389.124 1.00 0.00 C ATOM 954 C GLU A 58 282.892 124.249 390.247 1.00 0.00 C ATOM 955 O GLU A 58 281.771 123.743 390.170 1.00 0.00 O ATOM 956 CB GLU A 58 284.311 124.532 388.112 1.00 0.00 C ATOM 957 CG GLU A 58 283.651 123.424 387.268 1.00 0.00 C ATOM 958 CD GLU A 58 284.675 122.870 386.277 1.00 0.00 C ATOM 959 OE1 GLU A 58 284.999 121.656 386.374 1.00 0.00 O ATOM 960 OE2 GLU A 58 285.145 123.653 385.409 1.00 0.00 O1- ATOM 0 H GLU A 58 284.946 126.596 389.383 1.00 0.00 H new ATOM 0 HA GLU A 58 282.467 125.547 388.593 1.00 0.00 H new ATOM 0 HB2 GLU A 58 284.724 125.283 387.439 1.00 0.00 H new ATOM 0 HB3 GLU A 58 285.148 124.100 388.660 1.00 0.00 H new ATOM 0 HG2 GLU A 58 283.285 122.627 387.915 1.00 0.00 H new ATOM 0 HG3 GLU A 58 282.788 123.822 386.734 1.00 0.00 H new ATOM 967 N ALA A 59 283.677 124.013 391.374 1.00 0.00 N ATOM 968 CA ALA A 59 283.209 123.267 392.595 1.00 0.00 C ATOM 969 C ALA A 59 282.015 123.889 393.305 1.00 0.00 C ATOM 970 O ALA A 59 281.162 123.221 393.877 1.00 0.00 O ATOM 971 CB ALA A 59 284.171 123.248 393.818 1.00 0.00 C ATOM 0 H ALA A 59 284.641 124.337 391.448 1.00 0.00 H new ATOM 0 HA ALA A 59 283.052 122.300 392.117 1.00 0.00 H new ATOM 0 HB1 ALA A 59 283.717 122.679 394.629 1.00 0.00 H new ATOM 0 HB2 ALA A 59 285.114 122.782 393.532 1.00 0.00 H new ATOM 0 HB3 ALA A 59 284.357 124.269 394.150 1.00 0.00 H new ATOM 977 N TYR A 60 281.984 125.244 393.307 1.00 0.00 N ATOM 978 CA TYR A 60 281.045 126.154 393.960 1.00 0.00 C ATOM 979 C TYR A 60 279.528 125.876 393.677 1.00 0.00 C ATOM 980 O TYR A 60 278.638 126.391 394.344 1.00 0.00 O ATOM 981 CB TYR A 60 281.409 127.611 393.592 1.00 0.00 C ATOM 982 CG TYR A 60 280.876 128.763 394.409 1.00 0.00 C ATOM 983 CD1 TYR A 60 281.667 129.343 395.389 1.00 0.00 C ATOM 984 CD2 TYR A 60 279.724 129.421 394.009 1.00 0.00 C ATOM 985 CE1 TYR A 60 281.348 130.585 395.895 1.00 0.00 C ATOM 986 CE2 TYR A 60 279.358 130.626 394.576 1.00 0.00 C ATOM 987 CZ TYR A 60 280.183 131.212 395.508 1.00 0.00 C ATOM 988 OH TYR A 60 279.854 132.441 396.101 1.00 0.00 O ATOM 0 H TYR A 60 282.694 125.768 392.795 1.00 0.00 H new ATOM 0 HA TYR A 60 281.156 125.978 395.030 1.00 0.00 H new ATOM 0 HB2 TYR A 60 282.496 127.684 393.604 1.00 0.00 H new ATOM 0 HB3 TYR A 60 281.090 127.772 392.562 1.00 0.00 H new ATOM 0 HD1 TYR A 60 282.537 128.819 395.758 1.00 0.00 H new ATOM 0 HD2 TYR A 60 279.102 128.984 393.241 1.00 0.00 H new ATOM 0 HE1 TYR A 60 282.012 131.068 396.596 1.00 0.00 H new ATOM 0 HE2 TYR A 60 278.433 131.104 394.290 1.00 0.00 H new ATOM 0 HH TYR A 60 278.881 132.511 396.191 1.00 0.00 H new ATOM 998 N GLY A 61 279.234 125.026 392.656 1.00 0.00 N ATOM 999 CA GLY A 61 277.942 124.431 392.342 1.00 0.00 C ATOM 1000 C GLY A 61 277.735 122.985 392.796 1.00 0.00 C ATOM 1001 O GLY A 61 276.725 122.403 392.421 1.00 0.00 O ATOM 0 H GLY A 61 279.954 124.730 391.997 1.00 0.00 H new ATOM 0 HA2 GLY A 61 277.163 125.046 392.793 1.00 0.00 H new ATOM 0 HA3 GLY A 61 277.798 124.475 391.262 1.00 0.00 H new ATOM 1005 N LYS A 62 278.662 122.331 393.574 1.00 0.00 N ATOM 1006 CA LYS A 62 278.579 120.923 394.003 1.00 0.00 C ATOM 1007 C LYS A 62 278.002 120.653 395.392 1.00 0.00 C ATOM 1008 O LYS A 62 277.234 119.716 395.569 1.00 0.00 O ATOM 1009 CB LYS A 62 279.885 120.102 393.685 1.00 0.00 C ATOM 1010 CG LYS A 62 280.866 119.561 394.772 1.00 0.00 C ATOM 1011 CD LYS A 62 282.017 120.488 395.225 1.00 0.00 C ATOM 1012 CE LYS A 62 281.768 121.191 396.564 1.00 0.00 C ATOM 1013 NZ LYS A 62 282.136 120.300 397.687 1.00 0.00 N1+ ATOM 0 H LYS A 62 279.502 122.796 393.919 1.00 0.00 H new ATOM 0 HA LYS A 62 277.794 120.526 393.360 1.00 0.00 H new ATOM 0 HB2 LYS A 62 279.566 119.236 393.106 1.00 0.00 H new ATOM 0 HB3 LYS A 62 280.482 120.727 393.021 1.00 0.00 H new ATOM 0 HG2 LYS A 62 280.280 119.299 395.653 1.00 0.00 H new ATOM 0 HG3 LYS A 62 281.307 118.638 394.396 1.00 0.00 H new ATOM 0 HD2 LYS A 62 282.933 119.901 395.300 1.00 0.00 H new ATOM 0 HD3 LYS A 62 282.184 121.243 394.457 1.00 0.00 H new ATOM 0 HE2 LYS A 62 282.351 122.110 396.614 1.00 0.00 H new ATOM 0 HE3 LYS A 62 280.719 121.474 396.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 282.324 120.871 398.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 281.354 119.642 397.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 282.989 119.761 397.437 1.00 0.00 H new ATOM 1027 N ALA A 63 278.366 121.459 396.425 1.00 0.00 N ATOM 1028 CA ALA A 63 277.965 121.322 397.845 1.00 0.00 C ATOM 1029 C ALA A 63 276.797 122.205 398.236 1.00 0.00 C ATOM 1030 O ALA A 63 276.307 122.171 399.366 1.00 0.00 O ATOM 1031 CB ALA A 63 279.124 121.638 398.836 1.00 0.00 C ATOM 0 H ALA A 63 278.978 122.262 396.279 1.00 0.00 H new ATOM 0 HA ALA A 63 277.674 120.274 397.921 1.00 0.00 H new ATOM 0 HB1 ALA A 63 278.769 121.521 399.860 1.00 0.00 H new ATOM 0 HB2 ALA A 63 279.952 120.952 398.658 1.00 0.00 H new ATOM 0 HB3 ALA A 63 279.463 122.663 398.685 1.00 0.00 H new ATOM 1037 N ILE A 64 276.355 123.047 397.277 1.00 0.00 N ATOM 1038 CA ILE A 64 275.263 124.020 397.394 1.00 0.00 C ATOM 1039 C ILE A 64 273.829 123.443 397.618 1.00 0.00 C ATOM 1040 O ILE A 64 273.290 122.766 396.742 1.00 0.00 O ATOM 1041 CB ILE A 64 275.302 124.996 396.202 1.00 0.00 C ATOM 1042 CG1 ILE A 64 274.367 126.224 396.343 1.00 0.00 C ATOM 1043 CG2 ILE A 64 275.043 124.275 394.860 1.00 0.00 C ATOM 1044 CD1 ILE A 64 274.747 127.196 397.463 1.00 0.00 C ATOM 0 H ILE A 64 276.779 123.062 396.350 1.00 0.00 H new ATOM 0 HA ILE A 64 275.459 124.546 398.329 1.00 0.00 H new ATOM 0 HB ILE A 64 276.319 125.389 396.207 1.00 0.00 H new ATOM 0 HG12 ILE A 64 274.358 126.767 395.398 1.00 0.00 H new ATOM 0 HG13 ILE A 64 273.351 125.871 396.517 1.00 0.00 H new ATOM 0 HG21 ILE A 64 275.079 124.998 394.045 1.00 0.00 H new ATOM 0 HG22 ILE A 64 275.807 123.513 394.703 1.00 0.00 H new ATOM 0 HG23 ILE A 64 274.060 123.804 394.884 1.00 0.00 H new ATOM 0 HD11 ILE A 64 274.036 128.022 397.484 1.00 0.00 H new ATOM 0 HD12 ILE A 64 274.726 126.675 398.420 1.00 0.00 H new ATOM 0 HD13 ILE A 64 275.749 127.584 397.283 1.00 0.00 H new ATOM 1056 N PRO A 65 273.141 123.635 398.775 1.00 0.00 N ATOM 1057 CA PRO A 65 271.728 123.265 398.944 1.00 0.00 C ATOM 1058 C PRO A 65 270.798 124.327 398.294 1.00 0.00 C ATOM 1059 O PRO A 65 271.237 125.474 398.178 1.00 0.00 O ATOM 1060 CB PRO A 65 271.574 123.242 400.480 1.00 0.00 C ATOM 1061 CG PRO A 65 272.533 124.325 400.986 1.00 0.00 C ATOM 1062 CD PRO A 65 273.691 124.254 399.984 1.00 0.00 C ATOM 0 HA PRO A 65 271.458 122.321 398.470 1.00 0.00 H new ATOM 0 HB2 PRO A 65 270.547 123.453 400.778 1.00 0.00 H new ATOM 0 HB3 PRO A 65 271.830 122.265 400.889 1.00 0.00 H new ATOM 0 HG2 PRO A 65 272.064 125.309 400.992 1.00 0.00 H new ATOM 0 HG3 PRO A 65 272.867 124.125 402.004 1.00 0.00 H new ATOM 0 HD2 PRO A 65 274.083 125.248 399.770 1.00 0.00 H new ATOM 0 HD3 PRO A 65 274.517 123.665 400.383 1.00 0.00 H new ATOM 1070 N PRO A 66 269.530 124.088 397.894 1.00 0.00 N ATOM 1071 CA PRO A 66 268.671 125.073 397.210 1.00 0.00 C ATOM 1072 C PRO A 66 268.045 126.138 398.148 1.00 0.00 C ATOM 1073 O PRO A 66 266.896 126.519 397.936 1.00 0.00 O ATOM 1074 CB PRO A 66 267.621 124.163 396.535 1.00 0.00 C ATOM 1075 CG PRO A 66 267.470 122.976 397.491 1.00 0.00 C ATOM 1076 CD PRO A 66 268.897 122.774 398.005 1.00 0.00 C ATOM 0 HA PRO A 66 269.224 125.703 396.513 1.00 0.00 H new ATOM 0 HB2 PRO A 66 266.674 124.685 396.397 1.00 0.00 H new ATOM 0 HB3 PRO A 66 267.953 123.838 395.549 1.00 0.00 H new ATOM 0 HG2 PRO A 66 266.775 123.195 398.302 1.00 0.00 H new ATOM 0 HG3 PRO A 66 267.095 122.090 396.980 1.00 0.00 H new ATOM 0 HD2 PRO A 66 268.899 122.421 399.036 1.00 0.00 H new ATOM 0 HD3 PRO A 66 269.428 122.029 397.412 1.00 0.00 H new ATOM 1084 N ALA A 67 268.797 126.641 399.161 1.00 0.00 N ATOM 1085 CA ALA A 67 268.367 127.660 400.108 1.00 0.00 C ATOM 1086 C ALA A 67 269.526 128.169 400.983 1.00 0.00 C ATOM 1087 O ALA A 67 269.499 127.935 402.192 1.00 0.00 O ATOM 1088 CB ALA A 67 267.223 127.140 401.022 1.00 0.00 C ATOM 0 H ALA A 67 269.752 126.325 399.332 1.00 0.00 H new ATOM 0 HA ALA A 67 267.998 128.492 399.509 1.00 0.00 H new ATOM 0 HB1 ALA A 67 266.926 127.926 401.717 1.00 0.00 H new ATOM 0 HB2 ALA A 67 266.368 126.856 400.409 1.00 0.00 H new ATOM 0 HB3 ALA A 67 267.571 126.273 401.583 1.00 0.00 H new ATOM 1094 N PRO A 68 270.584 128.854 400.476 1.00 0.00 N ATOM 1095 CA PRO A 68 271.670 129.426 401.287 1.00 0.00 C ATOM 1096 C PRO A 68 271.233 130.763 401.966 1.00 0.00 C ATOM 1097 O PRO A 68 270.960 131.716 401.229 1.00 0.00 O ATOM 1098 CB PRO A 68 272.797 129.607 400.243 1.00 0.00 C ATOM 1099 CG PRO A 68 272.071 129.908 398.926 1.00 0.00 C ATOM 1100 CD PRO A 68 270.775 129.105 399.045 1.00 0.00 C ATOM 0 HA PRO A 68 271.978 128.805 402.128 1.00 0.00 H new ATOM 0 HB2 PRO A 68 273.465 130.422 400.521 1.00 0.00 H new ATOM 0 HB3 PRO A 68 273.408 128.708 400.161 1.00 0.00 H new ATOM 0 HG2 PRO A 68 271.874 130.974 398.810 1.00 0.00 H new ATOM 0 HG3 PRO A 68 272.659 129.597 398.063 1.00 0.00 H new ATOM 0 HD2 PRO A 68 269.933 129.660 398.631 1.00 0.00 H new ATOM 0 HD3 PRO A 68 270.844 128.169 398.491 1.00 0.00 H new ATOM 1108 N PRO A 69 271.123 130.905 403.306 1.00 0.00 N ATOM 1109 CA PRO A 69 270.684 132.135 403.959 1.00 0.00 C ATOM 1110 C PRO A 69 271.854 133.097 404.257 1.00 0.00 C ATOM 1111 O PRO A 69 273.023 132.781 404.026 1.00 0.00 O ATOM 1112 CB PRO A 69 270.055 131.574 405.252 1.00 0.00 C ATOM 1113 CG PRO A 69 270.963 130.400 405.637 1.00 0.00 C ATOM 1114 CD PRO A 69 271.379 129.832 404.273 1.00 0.00 C ATOM 0 HA PRO A 69 270.009 132.740 403.354 1.00 0.00 H new ATOM 0 HB2 PRO A 69 270.024 132.328 406.039 1.00 0.00 H new ATOM 0 HB3 PRO A 69 269.029 131.245 405.085 1.00 0.00 H new ATOM 0 HG2 PRO A 69 271.825 130.728 406.218 1.00 0.00 H new ATOM 0 HG3 PRO A 69 270.435 129.661 406.239 1.00 0.00 H new ATOM 0 HD2 PRO A 69 272.431 129.545 404.272 1.00 0.00 H new ATOM 0 HD3 PRO A 69 270.805 128.938 404.029 1.00 0.00 H new ATOM 1122 N ALA A 70 271.518 134.289 404.832 1.00 0.00 N ATOM 1123 CA ALA A 70 272.431 135.354 405.249 1.00 0.00 C ATOM 1124 C ALA A 70 273.338 135.049 406.463 1.00 0.00 C ATOM 1125 O ALA A 70 274.529 135.339 406.360 1.00 0.00 O ATOM 1126 CB ALA A 70 271.654 136.681 405.422 1.00 0.00 C ATOM 0 H ALA A 70 270.544 134.529 405.020 1.00 0.00 H new ATOM 0 HA ALA A 70 273.149 135.444 404.434 1.00 0.00 H new ATOM 0 HB1 ALA A 70 272.342 137.468 405.732 1.00 0.00 H new ATOM 0 HB2 ALA A 70 271.190 136.957 404.475 1.00 0.00 H new ATOM 0 HB3 ALA A 70 270.882 136.554 406.181 1.00 0.00 H new ATOM 1132 N PRO A 71 272.922 134.528 407.643 1.00 0.00 N ATOM 1133 CA PRO A 71 273.847 134.124 408.703 1.00 0.00 C ATOM 1134 C PRO A 71 274.382 132.683 408.468 1.00 0.00 C ATOM 1135 O PRO A 71 273.583 131.835 408.057 1.00 0.00 O ATOM 1136 CB PRO A 71 272.949 134.189 409.953 1.00 0.00 C ATOM 1137 CG PRO A 71 271.553 133.790 409.461 1.00 0.00 C ATOM 1138 CD PRO A 71 271.524 134.310 408.019 1.00 0.00 C ATOM 0 HA PRO A 71 274.739 134.747 408.768 1.00 0.00 H new ATOM 0 HB2 PRO A 71 273.303 133.510 410.729 1.00 0.00 H new ATOM 0 HB3 PRO A 71 272.944 135.190 410.384 1.00 0.00 H new ATOM 0 HG2 PRO A 71 271.405 132.711 409.502 1.00 0.00 H new ATOM 0 HG3 PRO A 71 270.768 134.242 410.067 1.00 0.00 H new ATOM 0 HD2 PRO A 71 271.048 133.590 407.354 1.00 0.00 H new ATOM 0 HD3 PRO A 71 270.952 135.235 407.949 1.00 0.00 H new ATOM 1146 N PRO A 72 275.663 132.320 408.727 1.00 0.00 N ATOM 1147 CA PRO A 72 276.179 130.944 408.630 1.00 0.00 C ATOM 1148 C PRO A 72 275.732 130.050 409.814 1.00 0.00 C ATOM 1149 O PRO A 72 275.441 130.544 410.906 1.00 0.00 O ATOM 1150 CB PRO A 72 277.711 131.153 408.597 1.00 0.00 C ATOM 1151 CG PRO A 72 277.949 132.430 409.414 1.00 0.00 C ATOM 1152 CD PRO A 72 276.685 133.256 409.190 1.00 0.00 C ATOM 0 HA PRO A 72 275.799 130.413 407.757 1.00 0.00 H new ATOM 0 HB2 PRO A 72 278.236 130.302 409.031 1.00 0.00 H new ATOM 0 HB3 PRO A 72 278.073 131.264 407.575 1.00 0.00 H new ATOM 0 HG2 PRO A 72 278.097 132.206 410.470 1.00 0.00 H new ATOM 0 HG3 PRO A 72 278.838 132.961 409.074 1.00 0.00 H new ATOM 0 HD2 PRO A 72 276.373 133.748 410.111 1.00 0.00 H new ATOM 0 HD3 PRO A 72 276.858 134.040 408.453 1.00 0.00 H new ATOM 1160 N LEU A 73 275.661 128.707 409.603 1.00 0.00 N ATOM 1161 CA LEU A 73 275.228 127.730 410.598 1.00 0.00 C ATOM 1162 C LEU A 73 276.368 126.804 411.023 1.00 0.00 C ATOM 1163 O LEU A 73 276.737 125.864 410.320 1.00 0.00 O ATOM 1164 CB LEU A 73 274.026 126.876 410.080 1.00 0.00 C ATOM 1165 CG LEU A 73 272.766 127.684 409.656 1.00 0.00 C ATOM 1166 CD1 LEU A 73 271.626 126.770 409.164 1.00 0.00 C ATOM 1167 CD2 LEU A 73 272.232 128.622 410.753 1.00 0.00 C ATOM 0 H LEU A 73 275.912 128.281 408.711 1.00 0.00 H new ATOM 0 HA LEU A 73 274.905 128.302 411.468 1.00 0.00 H new ATOM 0 HB2 LEU A 73 274.362 126.286 409.227 1.00 0.00 H new ATOM 0 HB3 LEU A 73 273.739 126.172 410.861 1.00 0.00 H new ATOM 0 HG LEU A 73 273.109 128.307 408.830 1.00 0.00 H new ATOM 0 HD11 LEU A 73 270.768 127.379 408.879 1.00 0.00 H new ATOM 0 HD12 LEU A 73 271.966 126.196 408.302 1.00 0.00 H new ATOM 0 HD13 LEU A 73 271.337 126.087 409.963 1.00 0.00 H new ATOM 0 HD21 LEU A 73 271.353 129.151 410.384 1.00 0.00 H new ATOM 0 HD22 LEU A 73 271.960 128.037 411.632 1.00 0.00 H new ATOM 0 HD23 LEU A 73 273.003 129.344 411.022 1.00 0.00 H new ATOM 1179 N THR A 74 276.933 127.046 412.235 1.00 0.00 N ATOM 1180 CA THR A 74 277.990 126.254 412.869 1.00 0.00 C ATOM 1181 C THR A 74 277.315 125.322 413.872 1.00 0.00 C ATOM 1182 O THR A 74 277.226 124.113 413.686 1.00 0.00 O ATOM 1183 CB THR A 74 279.044 127.153 413.535 1.00 0.00 C ATOM 1184 OG1 THR A 74 278.441 128.203 414.294 1.00 0.00 O ATOM 1185 CG2 THR A 74 279.880 127.825 412.434 1.00 0.00 C ATOM 0 H THR A 74 276.643 127.836 412.812 1.00 0.00 H new ATOM 0 HA THR A 74 278.531 125.671 412.124 1.00 0.00 H new ATOM 0 HB THR A 74 279.645 126.527 414.194 1.00 0.00 H new ATOM 0 HG1 THR A 74 279.140 128.753 414.704 1.00 0.00 H new ATOM 0 HG21 THR A 74 280.633 128.467 412.890 1.00 0.00 H new ATOM 0 HG22 THR A 74 280.371 127.060 411.832 1.00 0.00 H new ATOM 0 HG23 THR A 74 279.229 128.425 411.798 1.00 0.00 H new ATOM 1193 N LEU A 75 276.767 125.937 414.939 1.00 0.00 N ATOM 1194 CA LEU A 75 275.950 125.346 415.971 1.00 0.00 C ATOM 1195 C LEU A 75 274.930 126.434 416.253 1.00 0.00 C ATOM 1196 O LEU A 75 274.739 126.899 417.371 1.00 0.00 O ATOM 1197 CB LEU A 75 276.720 124.810 417.225 1.00 0.00 C ATOM 1198 CG LEU A 75 277.594 125.790 418.067 1.00 0.00 C ATOM 1199 CD1 LEU A 75 278.006 125.158 419.412 1.00 0.00 C ATOM 1200 CD2 LEU A 75 278.860 126.307 417.356 1.00 0.00 C ATOM 0 H LEU A 75 276.906 126.935 415.096 1.00 0.00 H new ATOM 0 HA LEU A 75 275.490 124.412 415.648 1.00 0.00 H new ATOM 0 HB2 LEU A 75 275.983 124.370 417.897 1.00 0.00 H new ATOM 0 HB3 LEU A 75 277.368 124.001 416.889 1.00 0.00 H new ATOM 0 HG LEU A 75 276.946 126.652 418.225 1.00 0.00 H new ATOM 0 HD11 LEU A 75 278.614 125.866 419.975 1.00 0.00 H new ATOM 0 HD12 LEU A 75 277.113 124.909 419.986 1.00 0.00 H new ATOM 0 HD13 LEU A 75 278.582 124.252 419.227 1.00 0.00 H new ATOM 0 HD21 LEU A 75 279.401 126.981 418.020 1.00 0.00 H new ATOM 0 HD22 LEU A 75 279.500 125.464 417.094 1.00 0.00 H new ATOM 0 HD23 LEU A 75 278.576 126.842 416.450 1.00 0.00 H new ATOM 1212 N SER A 76 274.243 126.895 415.174 1.00 0.00 N ATOM 1213 CA SER A 76 273.248 127.965 415.184 1.00 0.00 C ATOM 1214 C SER A 76 271.845 127.419 414.883 1.00 0.00 C ATOM 1215 O SER A 76 271.453 126.323 415.292 1.00 0.00 O ATOM 1216 CB SER A 76 273.697 129.102 414.192 1.00 0.00 C ATOM 1217 OG SER A 76 272.869 130.273 414.193 1.00 0.00 O ATOM 0 H SER A 76 274.384 126.505 414.242 1.00 0.00 H new ATOM 0 HA SER A 76 273.185 128.402 416.180 1.00 0.00 H new ATOM 0 HB2 SER A 76 274.717 129.397 414.440 1.00 0.00 H new ATOM 0 HB3 SER A 76 273.720 128.693 413.182 1.00 0.00 H new ATOM 0 HG SER A 76 273.222 130.924 413.551 1.00 0.00 H new ATOM 1223 N LYS A 77 271.030 128.246 414.179 1.00 0.00 N ATOM 1224 CA LYS A 77 269.645 128.078 413.724 1.00 0.00 C ATOM 1225 C LYS A 77 268.612 128.074 414.848 1.00 0.00 C ATOM 1226 O LYS A 77 267.818 128.995 415.005 1.00 0.00 O ATOM 1227 CB LYS A 77 269.453 126.881 412.743 1.00 0.00 C ATOM 1228 CG LYS A 77 268.140 126.895 411.935 1.00 0.00 C ATOM 1229 CD LYS A 77 268.011 128.093 410.977 1.00 0.00 C ATOM 1230 CE LYS A 77 266.715 128.082 410.150 1.00 0.00 C ATOM 1231 NZ LYS A 77 265.521 128.218 411.017 1.00 0.00 N1+ ATOM 0 H LYS A 77 271.383 129.157 413.886 1.00 0.00 H new ATOM 0 HA LYS A 77 269.446 128.982 413.149 1.00 0.00 H new ATOM 0 HB2 LYS A 77 270.290 126.867 412.045 1.00 0.00 H new ATOM 0 HB3 LYS A 77 269.499 125.954 413.314 1.00 0.00 H new ATOM 0 HG2 LYS A 77 268.069 125.972 411.359 1.00 0.00 H new ATOM 0 HG3 LYS A 77 267.298 126.904 412.628 1.00 0.00 H new ATOM 0 HD2 LYS A 77 268.056 129.016 411.555 1.00 0.00 H new ATOM 0 HD3 LYS A 77 268.865 128.099 410.299 1.00 0.00 H new ATOM 0 HE2 LYS A 77 266.736 128.897 409.426 1.00 0.00 H new ATOM 0 HE3 LYS A 77 266.651 127.153 409.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 264.671 128.309 410.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 265.433 127.376 411.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 265.620 129.064 411.614 1.00 0.00 H new ATOM 1245 N LEU A 78 268.638 127.013 415.693 1.00 0.00 N ATOM 1246 CA LEU A 78 267.795 126.828 416.875 1.00 0.00 C ATOM 1247 C LEU A 78 268.467 127.439 418.108 1.00 0.00 C ATOM 1248 O LEU A 78 267.823 127.820 419.083 1.00 0.00 O ATOM 1249 CB LEU A 78 267.466 125.329 417.093 1.00 0.00 C ATOM 1250 CG LEU A 78 266.900 124.619 415.840 1.00 0.00 C ATOM 1251 CD1 LEU A 78 266.651 123.134 416.147 1.00 0.00 C ATOM 1252 CD2 LEU A 78 265.621 125.281 415.298 1.00 0.00 C ATOM 0 H LEU A 78 269.281 126.234 415.552 1.00 0.00 H new ATOM 0 HA LEU A 78 266.851 127.348 416.712 1.00 0.00 H new ATOM 0 HB2 LEU A 78 268.371 124.812 417.413 1.00 0.00 H new ATOM 0 HB3 LEU A 78 266.744 125.241 417.905 1.00 0.00 H new ATOM 0 HG LEU A 78 267.650 124.711 415.054 1.00 0.00 H new ATOM 0 HD11 LEU A 78 266.253 122.641 415.260 1.00 0.00 H new ATOM 0 HD12 LEU A 78 267.589 122.660 416.435 1.00 0.00 H new ATOM 0 HD13 LEU A 78 265.934 123.046 416.964 1.00 0.00 H new ATOM 0 HD21 LEU A 78 265.274 124.737 414.420 1.00 0.00 H new ATOM 0 HD22 LEU A 78 264.848 125.262 416.066 1.00 0.00 H new ATOM 0 HD23 LEU A 78 265.834 126.314 415.024 1.00 0.00 H new ATOM 1264 N GLU A 79 269.823 127.568 418.018 1.00 0.00 N ATOM 1265 CA GLU A 79 270.745 128.209 418.950 1.00 0.00 C ATOM 1266 C GLU A 79 271.174 129.518 418.282 1.00 0.00 C ATOM 1267 O GLU A 79 272.358 129.802 418.124 1.00 0.00 O ATOM 1268 CB GLU A 79 272.022 127.345 419.219 1.00 0.00 C ATOM 1269 CG GLU A 79 271.780 126.003 419.940 1.00 0.00 C ATOM 1270 CD GLU A 79 271.211 124.936 419.005 1.00 0.00 C ATOM 1271 OE1 GLU A 79 271.858 124.652 417.962 1.00 0.00 O ATOM 1272 OE2 GLU A 79 270.124 124.384 419.328 1.00 0.00 O1- ATOM 0 H GLU A 79 270.323 127.187 417.215 1.00 0.00 H new ATOM 0 HA GLU A 79 270.251 128.354 419.911 1.00 0.00 H new ATOM 0 HB2 GLU A 79 272.509 127.142 418.265 1.00 0.00 H new ATOM 0 HB3 GLU A 79 272.720 127.935 419.813 1.00 0.00 H new ATOM 0 HG2 GLU A 79 272.719 125.647 420.365 1.00 0.00 H new ATOM 0 HG3 GLU A 79 271.092 126.159 420.771 1.00 0.00 H new ATOM 1279 N HIS A 80 270.187 130.320 417.806 1.00 0.00 N ATOM 1280 CA HIS A 80 270.320 131.510 416.963 1.00 0.00 C ATOM 1281 C HIS A 80 271.203 132.669 417.440 1.00 0.00 C ATOM 1282 O HIS A 80 271.409 133.633 416.699 1.00 0.00 O ATOM 1283 CB HIS A 80 268.904 132.015 416.554 1.00 0.00 C ATOM 1284 CG HIS A 80 268.761 132.269 415.079 1.00 0.00 C ATOM 1285 ND1 HIS A 80 269.634 133.040 414.346 1.00 0.00 N ATOM 1286 CD2 HIS A 80 267.842 131.801 414.190 1.00 0.00 C ATOM 1287 CE1 HIS A 80 269.210 133.002 413.060 1.00 0.00 C ATOM 1288 NE2 HIS A 80 268.130 132.258 412.918 1.00 0.00 N ATOM 0 H HIS A 80 269.210 130.127 418.025 1.00 0.00 H new ATOM 0 HA HIS A 80 270.897 131.146 416.113 1.00 0.00 H new ATOM 0 HB2 HIS A 80 268.161 131.279 416.862 1.00 0.00 H new ATOM 0 HB3 HIS A 80 268.684 132.935 417.096 1.00 0.00 H new ATOM 0 HD1 HIS A 80 270.446 133.544 414.703 1.00 0.00 H new ATOM 0 HD2 HIS A 80 267.007 131.164 414.443 1.00 0.00 H new ATOM 0 HE1 HIS A 80 269.698 133.519 412.247 1.00 0.00 H new TER 1296 HIS A 80