USER MOD reduce.3.24.130724 H: found=0, std=0, add=659, rem=0, adj=25 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 45 SER OG : rot -30:sc= -0.504 USER MOD Set 1.2: A 51 LYS NZ :NH3+ -111:sc= -0.173 (180deg=-0.579) USER MOD Set 1.3: A 55 LYS NZ :NH3+ -150:sc= 0 (180deg=-1.03) USER MOD Set 2.1: A 44 SER OG : rot 180:sc= -0.0159 USER MOD Set 2.2: A 47 HIS : no HE2:sc= 0.694 K(o=0.68,f=-1.9!) USER MOD Set 3.1: A 18 SER OG : rot 180:sc= 0.0311 USER MOD Set 3.2: A 34 TYR OH : rot -127:sc= 1.86 USER MOD Set 3.3: A 49 ASN :FLIP amide:sc= 0.627 F(o=1.4,f=2.5) USER MOD Set 4.1: A 5 SER OG : rot -109:sc= 0.0221 USER MOD Set 4.2: A 30 TYR OH : rot 30:sc= -0.559 USER MOD Single : A 0 MET CE :methyl 161:sc= -0.051 (180deg=-0.534) USER MOD Single : A 0 MET N :NH3+ 178:sc= 0.0226 (180deg=-0.0383) USER MOD Single : A 4 TYR OH : rot 30:sc= -0.131 USER MOD Single : A 9 THR OG1 : rot 4:sc= 0.352 USER MOD Single : A 14 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0493) USER MOD Single : A 19 HIS : no HD1:sc= -1.12 X(o=-1.1,f=-0.74) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 HIS : no HD1:sc= -3.03! C(o=-3!,f=-3!) USER MOD Single : A 29 LYS NZ :NH3+ -150:sc= -0.0329 (180deg=-0.995) USER MOD Single : A 33 SER OG : rot 63:sc= 1.89 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 15:sc= 1.26 USER MOD Single : A 62 LYS NZ :NH3+ 142:sc= -0.132 (180deg=-2.06!) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0.012 USER MOD Single : A 76 SER OG : rot 180:sc= 0.051 USER MOD Single : A 77 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.0395) USER MOD Single : A 80 HIS : no HE2:sc= 0 X(o=0,f=-0.13) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 285.480 122.470 407.645 1.00 0.00 N ATOM 2 CA MET A 0 284.085 122.372 407.277 1.00 0.00 C ATOM 3 C MET A 0 284.005 121.589 405.971 1.00 0.00 C ATOM 4 O MET A 0 282.982 121.537 405.289 1.00 0.00 O ATOM 5 CB MET A 0 283.452 123.797 407.196 1.00 0.00 C ATOM 6 CG MET A 0 281.907 123.920 407.189 1.00 0.00 C ATOM 7 SD MET A 0 281.090 123.217 408.654 1.00 0.00 S ATOM 8 CE MET A 0 281.757 124.400 409.867 1.00 0.00 C ATOM 0 H1 MET A 0 285.571 123.030 408.517 1.00 0.00 H new ATOM 0 H2 MET A 0 285.865 121.517 407.804 1.00 0.00 H new ATOM 0 H3 MET A 0 286.009 122.934 406.879 1.00 0.00 H new ATOM 0 HA MET A 0 283.503 121.836 408.027 1.00 0.00 H new ATOM 0 HB2 MET A 0 283.827 124.375 408.041 1.00 0.00 H new ATOM 0 HB3 MET A 0 283.827 124.275 406.291 1.00 0.00 H new ATOM 0 HG2 MET A 0 281.639 124.974 407.109 1.00 0.00 H new ATOM 0 HG3 MET A 0 281.519 123.424 406.299 1.00 0.00 H new ATOM 0 HE1 MET A 0 281.144 124.381 410.768 1.00 0.00 H new ATOM 0 HE2 MET A 0 282.781 124.124 410.119 1.00 0.00 H new ATOM 0 HE3 MET A 0 281.746 125.403 409.441 1.00 0.00 H new ATOM 18 N GLY A 1 285.145 120.967 405.569 1.00 0.00 N ATOM 19 CA GLY A 1 285.341 120.213 404.326 1.00 0.00 C ATOM 20 C GLY A 1 286.112 121.039 403.325 1.00 0.00 C ATOM 21 O GLY A 1 287.320 121.221 403.458 1.00 0.00 O ATOM 0 H GLY A 1 285.989 120.986 406.141 1.00 0.00 H new ATOM 0 HA2 GLY A 1 285.879 119.288 404.535 1.00 0.00 H new ATOM 0 HA3 GLY A 1 284.375 119.932 403.908 1.00 0.00 H new ATOM 25 N ILE A 2 285.419 121.614 402.301 1.00 0.00 N ATOM 26 CA ILE A 2 286.006 122.530 401.313 1.00 0.00 C ATOM 27 C ILE A 2 285.369 123.893 401.509 1.00 0.00 C ATOM 28 O ILE A 2 284.145 124.030 401.532 1.00 0.00 O ATOM 29 CB ILE A 2 285.882 122.202 399.801 1.00 0.00 C ATOM 30 CG1 ILE A 2 285.523 120.732 399.444 1.00 0.00 C ATOM 31 CG2 ILE A 2 287.190 122.751 399.162 1.00 0.00 C ATOM 32 CD1 ILE A 2 286.377 120.108 398.331 1.00 0.00 C ATOM 0 H ILE A 2 284.425 121.444 402.148 1.00 0.00 H new ATOM 0 HA ILE A 2 287.074 122.454 401.518 1.00 0.00 H new ATOM 0 HB ILE A 2 285.004 122.688 399.376 1.00 0.00 H new ATOM 0 HG12 ILE A 2 285.621 120.122 400.342 1.00 0.00 H new ATOM 0 HG13 ILE A 2 284.476 120.692 399.144 1.00 0.00 H new ATOM 0 HG21 ILE A 2 287.180 122.558 398.089 1.00 0.00 H new ATOM 0 HG22 ILE A 2 287.257 123.825 399.337 1.00 0.00 H new ATOM 0 HG23 ILE A 2 288.050 122.256 399.612 1.00 0.00 H new ATOM 0 HD11 ILE A 2 286.051 119.083 398.154 1.00 0.00 H new ATOM 0 HD12 ILE A 2 286.262 120.688 397.416 1.00 0.00 H new ATOM 0 HD13 ILE A 2 287.425 120.109 398.632 1.00 0.00 H new ATOM 44 N ASP A 3 286.177 124.984 401.587 1.00 0.00 N ATOM 45 CA ASP A 3 285.637 126.322 401.741 1.00 0.00 C ATOM 46 C ASP A 3 285.376 127.019 400.434 1.00 0.00 C ATOM 47 O ASP A 3 286.003 128.028 400.147 1.00 0.00 O ATOM 48 CB ASP A 3 286.437 127.250 402.724 1.00 0.00 C ATOM 49 CG ASP A 3 285.699 128.562 403.060 1.00 0.00 C ATOM 50 OD1 ASP A 3 286.392 129.589 403.249 1.00 0.00 O ATOM 51 OD2 ASP A 3 284.444 128.548 403.138 1.00 0.00 O1- ATOM 0 H ASP A 3 287.195 124.943 401.544 1.00 0.00 H new ATOM 0 HA ASP A 3 284.673 126.142 402.217 1.00 0.00 H new ATOM 0 HB2 ASP A 3 286.634 126.705 403.647 1.00 0.00 H new ATOM 0 HB3 ASP A 3 287.404 127.488 402.282 1.00 0.00 H new ATOM 56 N TYR A 4 284.355 126.531 399.697 1.00 0.00 N ATOM 57 CA TYR A 4 283.426 127.258 398.846 1.00 0.00 C ATOM 58 C TYR A 4 282.394 128.020 399.693 1.00 0.00 C ATOM 59 O TYR A 4 282.076 129.195 399.518 1.00 0.00 O ATOM 60 CB TYR A 4 282.683 126.351 397.843 1.00 0.00 C ATOM 61 CG TYR A 4 283.569 125.335 397.278 1.00 0.00 C ATOM 62 CD1 TYR A 4 284.681 125.711 396.580 1.00 0.00 C ATOM 63 CD2 TYR A 4 283.222 124.004 397.361 1.00 0.00 C ATOM 64 CE1 TYR A 4 285.502 124.735 396.088 1.00 0.00 C ATOM 65 CE2 TYR A 4 284.031 123.047 396.821 1.00 0.00 C ATOM 66 CZ TYR A 4 285.246 123.406 396.292 1.00 0.00 C ATOM 67 OH TYR A 4 286.112 122.459 395.718 1.00 0.00 O ATOM 0 H TYR A 4 284.154 125.531 399.691 1.00 0.00 H new ATOM 0 HA TYR A 4 284.034 127.957 398.272 1.00 0.00 H new ATOM 0 HB2 TYR A 4 281.844 125.866 398.342 1.00 0.00 H new ATOM 0 HB3 TYR A 4 282.267 126.960 397.040 1.00 0.00 H new ATOM 0 HD1 TYR A 4 284.906 126.755 396.420 1.00 0.00 H new ATOM 0 HD2 TYR A 4 282.306 123.717 397.856 1.00 0.00 H new ATOM 0 HE1 TYR A 4 286.377 125.020 395.523 1.00 0.00 H new ATOM 0 HE2 TYR A 4 283.717 122.014 396.810 1.00 0.00 H new ATOM 0 HH TYR A 4 287.013 122.838 395.651 1.00 0.00 H new ATOM 77 N SER A 5 281.759 127.236 400.616 1.00 0.00 N ATOM 78 CA SER A 5 280.545 127.534 401.367 1.00 0.00 C ATOM 79 C SER A 5 280.457 128.775 402.260 1.00 0.00 C ATOM 80 O SER A 5 279.530 129.551 402.046 1.00 0.00 O ATOM 81 CB SER A 5 279.900 126.224 401.868 1.00 0.00 C ATOM 82 OG SER A 5 278.546 126.396 402.270 1.00 0.00 O ATOM 0 H SER A 5 282.127 126.316 400.856 1.00 0.00 H new ATOM 0 HA SER A 5 279.878 127.987 400.634 1.00 0.00 H new ATOM 0 HB2 SER A 5 279.947 125.475 401.077 1.00 0.00 H new ATOM 0 HB3 SER A 5 280.478 125.838 402.708 1.00 0.00 H new ATOM 0 HG SER A 5 278.484 126.330 403.246 1.00 0.00 H new ATOM 88 N GLY A 6 281.439 129.149 403.163 1.00 0.00 N ATOM 89 CA GLY A 6 281.507 130.504 403.758 1.00 0.00 C ATOM 90 C GLY A 6 281.585 131.681 402.781 1.00 0.00 C ATOM 91 O GLY A 6 281.100 132.779 403.024 1.00 0.00 O ATOM 0 H GLY A 6 282.179 128.522 403.479 1.00 0.00 H new ATOM 0 HA2 GLY A 6 280.629 130.643 404.389 1.00 0.00 H new ATOM 0 HA3 GLY A 6 282.379 130.546 404.411 1.00 0.00 H new ATOM 95 N LEU A 7 282.139 131.453 401.566 1.00 0.00 N ATOM 96 CA LEU A 7 282.234 132.416 400.486 1.00 0.00 C ATOM 97 C LEU A 7 280.914 132.591 399.791 1.00 0.00 C ATOM 98 O LEU A 7 280.466 133.720 399.629 1.00 0.00 O ATOM 99 CB LEU A 7 283.424 132.216 399.540 1.00 0.00 C ATOM 100 CG LEU A 7 284.768 132.021 400.284 1.00 0.00 C ATOM 101 CD1 LEU A 7 285.003 132.926 401.497 1.00 0.00 C ATOM 102 CD2 LEU A 7 284.940 130.572 400.708 1.00 0.00 C ATOM 0 H LEU A 7 282.544 130.550 401.320 1.00 0.00 H new ATOM 0 HA LEU A 7 282.471 133.370 400.957 1.00 0.00 H new ATOM 0 HB2 LEU A 7 283.236 131.347 398.909 1.00 0.00 H new ATOM 0 HB3 LEU A 7 283.504 133.079 398.879 1.00 0.00 H new ATOM 0 HG LEU A 7 285.517 132.316 399.549 1.00 0.00 H new ATOM 0 HD11 LEU A 7 285.974 132.700 401.937 1.00 0.00 H new ATOM 0 HD12 LEU A 7 284.981 133.969 401.182 1.00 0.00 H new ATOM 0 HD13 LEU A 7 284.221 132.754 402.237 1.00 0.00 H new ATOM 0 HD21 LEU A 7 285.890 130.456 401.229 1.00 0.00 H new ATOM 0 HD22 LEU A 7 284.124 130.288 401.373 1.00 0.00 H new ATOM 0 HD23 LEU A 7 284.929 129.931 399.826 1.00 0.00 H new ATOM 114 N ARG A 8 280.199 131.479 399.450 1.00 0.00 N ATOM 115 CA ARG A 8 278.828 131.556 398.934 1.00 0.00 C ATOM 116 C ARG A 8 277.765 132.002 399.923 1.00 0.00 C ATOM 117 O ARG A 8 276.867 132.765 399.565 1.00 0.00 O ATOM 118 CB ARG A 8 278.371 130.329 398.070 1.00 0.00 C ATOM 119 CG ARG A 8 279.327 129.116 398.023 1.00 0.00 C ATOM 120 CD ARG A 8 278.876 128.036 397.014 1.00 0.00 C ATOM 121 NE ARG A 8 279.770 126.787 396.989 1.00 0.00 N ATOM 122 CZ ARG A 8 279.358 125.664 397.649 1.00 0.00 C ATOM 123 NH1 ARG A 8 278.471 125.731 398.681 1.00 0.00 N1+ ATOM 124 NH2 ARG A 8 279.861 124.469 397.229 1.00 0.00 N ATOM 0 H ARG A 8 280.562 130.529 399.528 1.00 0.00 H new ATOM 0 HA ARG A 8 278.915 132.390 398.237 1.00 0.00 H new ATOM 0 HB2 ARG A 8 277.407 129.988 398.448 1.00 0.00 H new ATOM 0 HB3 ARG A 8 278.209 130.674 397.049 1.00 0.00 H new ATOM 0 HG2 ARG A 8 280.328 129.458 397.759 1.00 0.00 H new ATOM 0 HG3 ARG A 8 279.393 128.673 399.017 1.00 0.00 H new ATOM 0 HD2 ARG A 8 277.856 127.735 397.253 1.00 0.00 H new ATOM 0 HD3 ARG A 8 278.854 128.474 396.016 1.00 0.00 H new ATOM 0 HE ARG A 8 280.658 126.796 396.487 1.00 0.00 H new ATOM 0 HH11 ARG A 8 278.099 126.634 398.976 1.00 0.00 H new ATOM 0 HH12 ARG A 8 278.178 124.878 399.158 1.00 0.00 H new ATOM 0 HH21 ARG A 8 280.519 124.438 396.450 1.00 0.00 H new ATOM 0 HH22 ARG A 8 279.580 123.606 397.694 1.00 0.00 H new ATOM 138 N THR A 9 277.862 131.563 401.206 1.00 0.00 N ATOM 139 CA THR A 9 276.925 131.958 402.257 1.00 0.00 C ATOM 140 C THR A 9 277.191 133.304 402.920 1.00 0.00 C ATOM 141 O THR A 9 276.238 133.912 403.399 1.00 0.00 O ATOM 142 CB THR A 9 276.500 130.776 403.121 1.00 0.00 C ATOM 143 OG1 THR A 9 275.166 130.903 403.622 1.00 0.00 O ATOM 144 CG2 THR A 9 277.439 130.389 404.288 1.00 0.00 C ATOM 0 H THR A 9 278.594 130.928 401.526 1.00 0.00 H new ATOM 0 HA THR A 9 275.994 132.239 401.766 1.00 0.00 H new ATOM 0 HB THR A 9 276.562 129.957 402.404 1.00 0.00 H new ATOM 0 HG1 THR A 9 274.753 131.710 403.251 1.00 0.00 H new ATOM 0 HG21 THR A 9 277.022 129.535 404.822 1.00 0.00 H new ATOM 0 HG22 THR A 9 278.421 130.126 403.893 1.00 0.00 H new ATOM 0 HG23 THR A 9 277.536 131.232 404.972 1.00 0.00 H new ATOM 152 N ILE A 10 278.448 133.848 402.911 1.00 0.00 N ATOM 153 CA ILE A 10 278.728 135.218 403.370 1.00 0.00 C ATOM 154 C ILE A 10 278.820 136.205 402.173 1.00 0.00 C ATOM 155 O ILE A 10 278.434 137.365 402.324 1.00 0.00 O ATOM 156 CB ILE A 10 279.957 135.335 404.326 1.00 0.00 C ATOM 157 CG1 ILE A 10 279.768 134.640 405.705 1.00 0.00 C ATOM 158 CG2 ILE A 10 280.325 136.803 404.684 1.00 0.00 C ATOM 159 CD1 ILE A 10 279.916 133.119 405.789 1.00 0.00 C ATOM 0 H ILE A 10 279.274 133.345 402.587 1.00 0.00 H new ATOM 0 HA ILE A 10 277.873 135.506 403.982 1.00 0.00 H new ATOM 0 HB ILE A 10 280.736 134.845 403.741 1.00 0.00 H new ATOM 0 HG12 ILE A 10 280.485 135.080 406.398 1.00 0.00 H new ATOM 0 HG13 ILE A 10 278.773 134.896 406.070 1.00 0.00 H new ATOM 0 HG21 ILE A 10 281.187 136.810 405.351 1.00 0.00 H new ATOM 0 HG22 ILE A 10 280.567 137.350 403.773 1.00 0.00 H new ATOM 0 HG23 ILE A 10 279.479 137.280 405.180 1.00 0.00 H new ATOM 0 HD11 ILE A 10 279.754 132.794 406.817 1.00 0.00 H new ATOM 0 HD12 ILE A 10 279.181 132.645 405.139 1.00 0.00 H new ATOM 0 HD13 ILE A 10 280.919 132.833 405.471 1.00 0.00 H new ATOM 171 N PHE A 11 279.377 135.846 400.967 1.00 0.00 N ATOM 172 CA PHE A 11 279.663 136.833 399.901 1.00 0.00 C ATOM 173 C PHE A 11 278.887 136.614 398.601 1.00 0.00 C ATOM 174 O PHE A 11 278.870 137.473 397.716 1.00 0.00 O ATOM 175 CB PHE A 11 281.198 136.952 399.606 1.00 0.00 C ATOM 176 CG PHE A 11 281.976 137.214 400.880 1.00 0.00 C ATOM 177 CD1 PHE A 11 281.942 138.438 401.525 1.00 0.00 C ATOM 178 CD2 PHE A 11 282.734 136.206 401.444 1.00 0.00 C ATOM 179 CE1 PHE A 11 282.667 138.638 402.687 1.00 0.00 C ATOM 180 CE2 PHE A 11 283.391 136.367 402.646 1.00 0.00 C ATOM 181 CZ PHE A 11 283.382 137.601 403.259 1.00 0.00 C ATOM 0 H PHE A 11 279.629 134.888 400.725 1.00 0.00 H new ATOM 0 HA PHE A 11 279.304 137.777 400.310 1.00 0.00 H new ATOM 0 HB2 PHE A 11 281.555 136.034 399.140 1.00 0.00 H new ATOM 0 HB3 PHE A 11 281.374 137.759 398.895 1.00 0.00 H new ATOM 0 HD1 PHE A 11 281.346 139.242 401.119 1.00 0.00 H new ATOM 0 HD2 PHE A 11 282.815 135.261 400.927 1.00 0.00 H new ATOM 0 HE1 PHE A 11 282.675 139.613 403.152 1.00 0.00 H new ATOM 0 HE2 PHE A 11 283.907 135.535 403.102 1.00 0.00 H new ATOM 0 HZ PHE A 11 283.928 137.757 404.178 1.00 0.00 H new ATOM 191 N GLY A 12 278.232 135.434 398.434 1.00 0.00 N ATOM 192 CA GLY A 12 277.386 135.076 397.292 1.00 0.00 C ATOM 193 C GLY A 12 278.034 134.722 395.964 1.00 0.00 C ATOM 194 O GLY A 12 277.834 133.615 395.459 1.00 0.00 O ATOM 0 H GLY A 12 278.289 134.686 399.125 1.00 0.00 H new ATOM 0 HA2 GLY A 12 276.773 134.227 397.593 1.00 0.00 H new ATOM 0 HA3 GLY A 12 276.708 135.911 397.113 1.00 0.00 H new ATOM 198 N GLU A 13 278.773 135.686 395.355 1.00 0.00 N ATOM 199 CA GLU A 13 279.316 135.695 393.993 1.00 0.00 C ATOM 200 C GLU A 13 280.429 134.724 393.571 1.00 0.00 C ATOM 201 O GLU A 13 280.277 134.016 392.579 1.00 0.00 O ATOM 202 CB GLU A 13 279.731 137.159 393.652 1.00 0.00 C ATOM 203 CG GLU A 13 280.061 137.475 392.175 1.00 0.00 C ATOM 204 CD GLU A 13 278.865 137.175 391.272 1.00 0.00 C ATOM 205 OE1 GLU A 13 277.797 137.813 391.471 1.00 0.00 O ATOM 206 OE2 GLU A 13 279.007 136.308 390.368 1.00 0.00 O1- ATOM 0 H GLU A 13 279.018 136.541 395.854 1.00 0.00 H new ATOM 0 HA GLU A 13 278.487 135.293 393.411 1.00 0.00 H new ATOM 0 HB2 GLU A 13 278.924 137.821 393.967 1.00 0.00 H new ATOM 0 HB3 GLU A 13 280.604 137.412 394.254 1.00 0.00 H new ATOM 0 HG2 GLU A 13 280.341 138.524 392.077 1.00 0.00 H new ATOM 0 HG3 GLU A 13 280.920 136.884 391.856 1.00 0.00 H new ATOM 213 N LYS A 14 281.578 134.681 394.281 1.00 0.00 N ATOM 214 CA LYS A 14 282.699 133.823 393.915 1.00 0.00 C ATOM 215 C LYS A 14 283.462 133.569 395.197 1.00 0.00 C ATOM 216 O LYS A 14 282.891 133.471 396.278 1.00 0.00 O ATOM 217 CB LYS A 14 283.612 134.487 392.826 1.00 0.00 C ATOM 218 CG LYS A 14 284.551 133.538 392.046 1.00 0.00 C ATOM 219 CD LYS A 14 285.712 134.271 391.343 1.00 0.00 C ATOM 220 CE LYS A 14 285.280 135.227 390.220 1.00 0.00 C ATOM 221 NZ LYS A 14 284.596 134.498 389.125 1.00 0.00 N1+ ATOM 0 H LYS A 14 281.742 135.241 395.117 1.00 0.00 H new ATOM 0 HA LYS A 14 282.349 132.892 393.469 1.00 0.00 H new ATOM 0 HB2 LYS A 14 282.971 134.999 392.109 1.00 0.00 H new ATOM 0 HB3 LYS A 14 284.222 135.250 393.310 1.00 0.00 H new ATOM 0 HG2 LYS A 14 284.961 132.798 392.733 1.00 0.00 H new ATOM 0 HG3 LYS A 14 283.970 132.994 391.301 1.00 0.00 H new ATOM 0 HD2 LYS A 14 286.271 134.837 392.088 1.00 0.00 H new ATOM 0 HD3 LYS A 14 286.394 133.529 390.928 1.00 0.00 H new ATOM 0 HE2 LYS A 14 284.613 135.989 390.624 1.00 0.00 H new ATOM 0 HE3 LYS A 14 286.154 135.745 389.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 284.407 135.151 388.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 285.203 133.722 388.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 283.697 134.109 389.475 1.00 0.00 H new ATOM 235 N LEU A 15 284.807 133.509 395.140 1.00 0.00 N ATOM 236 CA LEU A 15 285.664 133.397 396.299 1.00 0.00 C ATOM 237 C LEU A 15 286.347 134.775 396.404 1.00 0.00 C ATOM 238 O LEU A 15 286.808 135.266 395.371 1.00 0.00 O ATOM 239 CB LEU A 15 286.767 132.327 396.101 1.00 0.00 C ATOM 240 CG LEU A 15 286.455 130.818 396.182 1.00 0.00 C ATOM 241 CD1 LEU A 15 285.921 130.378 397.537 1.00 0.00 C ATOM 242 CD2 LEU A 15 285.573 130.279 395.062 1.00 0.00 C ATOM 0 H LEU A 15 285.322 133.539 394.260 1.00 0.00 H new ATOM 0 HA LEU A 15 285.089 133.110 397.180 1.00 0.00 H new ATOM 0 HB2 LEU A 15 287.209 132.506 395.121 1.00 0.00 H new ATOM 0 HB3 LEU A 15 287.541 132.530 396.841 1.00 0.00 H new ATOM 0 HG LEU A 15 287.437 130.366 396.043 1.00 0.00 H new ATOM 0 HD11 LEU A 15 285.724 129.306 397.520 1.00 0.00 H new ATOM 0 HD12 LEU A 15 286.659 130.599 398.308 1.00 0.00 H new ATOM 0 HD13 LEU A 15 284.997 130.913 397.755 1.00 0.00 H new ATOM 0 HD21 LEU A 15 285.412 129.211 395.208 1.00 0.00 H new ATOM 0 HD22 LEU A 15 284.613 130.796 395.074 1.00 0.00 H new ATOM 0 HD23 LEU A 15 286.062 130.444 394.102 1.00 0.00 H new ATOM 254 N PRO A 16 286.489 135.433 397.554 1.00 0.00 N ATOM 255 CA PRO A 16 287.175 136.704 397.722 1.00 0.00 C ATOM 256 C PRO A 16 288.683 136.525 397.935 1.00 0.00 C ATOM 257 O PRO A 16 289.210 135.420 397.948 1.00 0.00 O ATOM 258 CB PRO A 16 286.527 137.234 399.005 1.00 0.00 C ATOM 259 CG PRO A 16 286.406 135.972 399.862 1.00 0.00 C ATOM 260 CD PRO A 16 286.009 134.936 398.828 1.00 0.00 C ATOM 0 HA PRO A 16 287.085 137.355 396.853 1.00 0.00 H new ATOM 0 HB2 PRO A 16 287.143 137.994 399.486 1.00 0.00 H new ATOM 0 HB3 PRO A 16 285.555 137.687 398.811 1.00 0.00 H new ATOM 0 HG2 PRO A 16 287.345 135.720 400.355 1.00 0.00 H new ATOM 0 HG3 PRO A 16 285.654 136.079 400.644 1.00 0.00 H new ATOM 0 HD2 PRO A 16 286.450 133.966 399.059 1.00 0.00 H new ATOM 0 HD3 PRO A 16 284.928 134.798 398.810 1.00 0.00 H new ATOM 268 N GLU A 17 289.359 137.667 398.130 1.00 0.00 N ATOM 269 CA GLU A 17 290.757 137.943 398.344 1.00 0.00 C ATOM 270 C GLU A 17 291.367 137.442 399.671 1.00 0.00 C ATOM 271 O GLU A 17 290.708 137.348 400.710 1.00 0.00 O ATOM 272 CB GLU A 17 290.856 139.489 398.328 1.00 0.00 C ATOM 273 CG GLU A 17 290.323 140.245 397.083 1.00 0.00 C ATOM 274 CD GLU A 17 288.800 140.248 396.899 1.00 0.00 C ATOM 275 OE1 GLU A 17 288.332 139.809 395.815 1.00 0.00 O ATOM 276 OE2 GLU A 17 288.089 140.692 397.841 1.00 0.00 O1- ATOM 0 H GLU A 17 288.838 138.544 398.139 1.00 0.00 H new ATOM 0 HA GLU A 17 291.319 137.414 397.574 1.00 0.00 H new ATOM 0 HB2 GLU A 17 290.322 139.866 399.200 1.00 0.00 H new ATOM 0 HB3 GLU A 17 291.905 139.757 398.456 1.00 0.00 H new ATOM 0 HG2 GLU A 17 290.665 141.279 397.136 1.00 0.00 H new ATOM 0 HG3 GLU A 17 290.776 139.805 396.194 1.00 0.00 H new ATOM 283 N SER A 18 292.696 137.151 399.677 1.00 0.00 N ATOM 284 CA SER A 18 293.475 136.604 400.801 1.00 0.00 C ATOM 285 C SER A 18 293.601 137.390 402.099 1.00 0.00 C ATOM 286 O SER A 18 293.798 136.791 403.156 1.00 0.00 O ATOM 287 CB SER A 18 294.883 136.115 400.402 1.00 0.00 C ATOM 288 OG SER A 18 294.868 135.778 399.019 1.00 0.00 O ATOM 0 H SER A 18 293.275 137.303 398.851 1.00 0.00 H new ATOM 0 HA SER A 18 292.803 135.781 401.045 1.00 0.00 H new ATOM 0 HB2 SER A 18 295.623 136.892 400.595 1.00 0.00 H new ATOM 0 HB3 SER A 18 295.167 135.249 401.000 1.00 0.00 H new ATOM 0 HG SER A 18 295.757 135.466 398.749 1.00 0.00 H new ATOM 294 N HIS A 19 293.431 138.758 402.069 1.00 0.00 N ATOM 295 CA HIS A 19 293.381 139.647 403.253 1.00 0.00 C ATOM 296 C HIS A 19 292.192 139.304 404.148 1.00 0.00 C ATOM 297 O HIS A 19 292.319 139.191 405.358 1.00 0.00 O ATOM 298 CB HIS A 19 293.408 141.182 402.937 1.00 0.00 C ATOM 299 CG HIS A 19 292.222 141.742 402.178 1.00 0.00 C ATOM 300 ND1 HIS A 19 291.576 142.927 402.471 1.00 0.00 N ATOM 301 CD2 HIS A 19 291.551 141.219 401.121 1.00 0.00 C ATOM 302 CE1 HIS A 19 290.548 143.044 401.591 1.00 0.00 C ATOM 303 NE2 HIS A 19 290.504 142.037 400.746 1.00 0.00 N ATOM 0 H HIS A 19 293.324 139.269 401.193 1.00 0.00 H new ATOM 0 HA HIS A 19 294.312 139.449 403.784 1.00 0.00 H new ATOM 0 HB2 HIS A 19 293.494 141.722 403.880 1.00 0.00 H new ATOM 0 HB3 HIS A 19 294.310 141.396 402.364 1.00 0.00 H new ATOM 0 HD2 HIS A 19 291.803 140.287 400.637 1.00 0.00 H new ATOM 0 HE1 HIS A 19 289.849 143.867 401.586 1.00 0.00 H new ATOM 0 HE2 HIS A 19 289.843 141.892 399.983 1.00 0.00 H new ATOM 311 N ILE A 20 291.020 139.033 403.514 1.00 0.00 N ATOM 312 CA ILE A 20 289.850 138.419 404.131 1.00 0.00 C ATOM 313 C ILE A 20 289.956 136.913 404.308 1.00 0.00 C ATOM 314 O ILE A 20 289.744 136.425 405.419 1.00 0.00 O ATOM 315 CB ILE A 20 288.497 138.836 403.508 1.00 0.00 C ATOM 316 CG1 ILE A 20 287.711 137.741 402.750 1.00 0.00 C ATOM 317 CG2 ILE A 20 288.683 139.997 402.512 1.00 0.00 C ATOM 318 CD1 ILE A 20 286.366 138.249 402.275 1.00 0.00 C ATOM 0 H ILE A 20 290.876 139.249 402.528 1.00 0.00 H new ATOM 0 HA ILE A 20 289.854 138.844 405.135 1.00 0.00 H new ATOM 0 HB ILE A 20 287.913 139.105 404.388 1.00 0.00 H new ATOM 0 HG12 ILE A 20 288.294 137.399 401.895 1.00 0.00 H new ATOM 0 HG13 ILE A 20 287.566 136.879 403.402 1.00 0.00 H new ATOM 0 HG21 ILE A 20 287.717 140.271 402.088 1.00 0.00 H new ATOM 0 HG22 ILE A 20 289.109 140.856 403.030 1.00 0.00 H new ATOM 0 HG23 ILE A 20 289.355 139.686 401.712 1.00 0.00 H new ATOM 0 HD11 ILE A 20 285.842 137.452 401.747 1.00 0.00 H new ATOM 0 HD12 ILE A 20 285.773 138.566 403.133 1.00 0.00 H new ATOM 0 HD13 ILE A 20 286.513 139.094 401.603 1.00 0.00 H new ATOM 330 N PHE A 21 290.259 136.112 403.223 1.00 0.00 N ATOM 331 CA PHE A 21 290.147 134.650 403.246 1.00 0.00 C ATOM 332 C PHE A 21 291.129 134.002 404.262 1.00 0.00 C ATOM 333 O PHE A 21 290.700 133.228 405.115 1.00 0.00 O ATOM 334 CB PHE A 21 290.061 134.035 401.781 1.00 0.00 C ATOM 335 CG PHE A 21 289.578 132.588 401.596 1.00 0.00 C ATOM 336 CD1 PHE A 21 289.428 132.042 400.317 1.00 0.00 C ATOM 337 CD2 PHE A 21 289.308 131.732 402.646 1.00 0.00 C ATOM 338 CE1 PHE A 21 289.142 130.685 400.154 1.00 0.00 C ATOM 339 CE2 PHE A 21 289.063 130.396 402.481 1.00 0.00 C ATOM 340 CZ PHE A 21 289.009 129.837 401.240 1.00 0.00 C ATOM 0 H PHE A 21 290.582 136.483 402.330 1.00 0.00 H new ATOM 0 HA PHE A 21 289.182 134.364 403.663 1.00 0.00 H new ATOM 0 HB2 PHE A 21 289.403 134.677 401.195 1.00 0.00 H new ATOM 0 HB3 PHE A 21 291.054 134.107 401.337 1.00 0.00 H new ATOM 0 HD1 PHE A 21 289.534 132.675 399.448 1.00 0.00 H new ATOM 0 HD2 PHE A 21 289.289 132.137 403.647 1.00 0.00 H new ATOM 0 HE1 PHE A 21 289.022 130.288 399.157 1.00 0.00 H new ATOM 0 HE2 PHE A 21 288.910 129.774 403.350 1.00 0.00 H new ATOM 0 HZ PHE A 21 288.868 128.774 401.109 1.00 0.00 H new ATOM 350 N PHE A 22 292.450 134.349 404.250 1.00 0.00 N ATOM 351 CA PHE A 22 293.420 133.895 405.255 1.00 0.00 C ATOM 352 C PHE A 22 293.338 134.620 406.641 1.00 0.00 C ATOM 353 O PHE A 22 293.933 134.108 407.588 1.00 0.00 O ATOM 354 CB PHE A 22 294.908 133.811 404.710 1.00 0.00 C ATOM 355 CG PHE A 22 295.342 132.466 404.075 1.00 0.00 C ATOM 356 CD1 PHE A 22 296.155 132.458 402.941 1.00 0.00 C ATOM 357 CD2 PHE A 22 295.038 131.208 404.599 1.00 0.00 C ATOM 358 CE1 PHE A 22 296.510 131.281 402.291 1.00 0.00 C ATOM 359 CE2 PHE A 22 295.410 130.038 403.971 1.00 0.00 C ATOM 360 CZ PHE A 22 296.070 130.064 402.774 1.00 0.00 C ATOM 0 H PHE A 22 292.858 134.953 403.536 1.00 0.00 H new ATOM 0 HA PHE A 22 293.100 132.873 405.458 1.00 0.00 H new ATOM 0 HB2 PHE A 22 295.043 134.597 403.967 1.00 0.00 H new ATOM 0 HB3 PHE A 22 295.585 134.032 405.535 1.00 0.00 H new ATOM 0 HD1 PHE A 22 296.521 133.398 402.555 1.00 0.00 H new ATOM 0 HD2 PHE A 22 294.492 131.149 405.529 1.00 0.00 H new ATOM 0 HE1 PHE A 22 297.130 131.318 401.408 1.00 0.00 H new ATOM 0 HE2 PHE A 22 295.177 129.089 404.431 1.00 0.00 H new ATOM 0 HZ PHE A 22 296.243 129.154 402.219 1.00 0.00 H new ATOM 370 N ALA A 23 292.669 135.815 406.844 1.00 0.00 N ATOM 371 CA ALA A 23 292.629 136.473 408.172 1.00 0.00 C ATOM 372 C ALA A 23 291.281 136.588 408.917 1.00 0.00 C ATOM 373 O ALA A 23 291.257 136.776 410.134 1.00 0.00 O ATOM 374 CB ALA A 23 293.272 137.876 408.093 1.00 0.00 C ATOM 0 H ALA A 23 292.167 136.317 406.111 1.00 0.00 H new ATOM 0 HA ALA A 23 293.193 135.767 408.781 1.00 0.00 H new ATOM 0 HB1 ALA A 23 293.236 138.348 409.075 1.00 0.00 H new ATOM 0 HB2 ALA A 23 294.310 137.783 407.773 1.00 0.00 H new ATOM 0 HB3 ALA A 23 292.724 138.487 407.376 1.00 0.00 H new ATOM 380 N THR A 24 290.121 136.504 408.214 1.00 0.00 N ATOM 381 CA THR A 24 288.769 136.730 408.761 1.00 0.00 C ATOM 382 C THR A 24 288.025 135.397 408.835 1.00 0.00 C ATOM 383 O THR A 24 288.091 134.599 407.900 1.00 0.00 O ATOM 384 CB THR A 24 288.014 137.751 407.878 1.00 0.00 C ATOM 385 OG1 THR A 24 288.578 139.052 408.003 1.00 0.00 O ATOM 386 CG2 THR A 24 286.513 137.902 408.180 1.00 0.00 C ATOM 0 H THR A 24 290.107 136.270 407.221 1.00 0.00 H new ATOM 0 HA THR A 24 288.835 137.142 409.768 1.00 0.00 H new ATOM 0 HB THR A 24 288.121 137.338 406.875 1.00 0.00 H new ATOM 0 HG1 THR A 24 288.084 139.679 407.434 1.00 0.00 H new ATOM 0 HG21 THR A 24 286.079 138.641 407.506 1.00 0.00 H new ATOM 0 HG22 THR A 24 286.015 136.943 408.037 1.00 0.00 H new ATOM 0 HG23 THR A 24 286.380 138.229 409.211 1.00 0.00 H new ATOM 394 N VAL A 25 287.250 135.099 409.940 1.00 0.00 N ATOM 395 CA VAL A 25 286.504 133.840 410.176 1.00 0.00 C ATOM 396 C VAL A 25 285.387 133.516 409.243 1.00 0.00 C ATOM 397 O VAL A 25 285.070 132.340 409.140 1.00 0.00 O ATOM 398 CB VAL A 25 285.985 133.481 411.577 1.00 0.00 C ATOM 399 CG1 VAL A 25 287.151 133.616 412.566 1.00 0.00 C ATOM 400 CG2 VAL A 25 284.700 134.234 412.007 1.00 0.00 C ATOM 0 H VAL A 25 287.136 135.763 410.706 1.00 0.00 H new ATOM 0 HA VAL A 25 287.390 133.235 409.983 1.00 0.00 H new ATOM 0 HB VAL A 25 285.641 132.447 411.564 1.00 0.00 H new ATOM 0 HG11 VAL A 25 286.807 133.366 413.570 1.00 0.00 H new ATOM 0 HG12 VAL A 25 287.953 132.937 412.277 1.00 0.00 H new ATOM 0 HG13 VAL A 25 287.521 134.641 412.554 1.00 0.00 H new ATOM 0 HG21 VAL A 25 284.410 133.916 413.008 1.00 0.00 H new ATOM 0 HG22 VAL A 25 284.890 135.307 412.008 1.00 0.00 H new ATOM 0 HG23 VAL A 25 283.895 134.009 411.307 1.00 0.00 H new ATOM 410 N ALA A 26 284.813 134.498 408.477 1.00 0.00 N ATOM 411 CA ALA A 26 283.759 134.360 407.458 1.00 0.00 C ATOM 412 C ALA A 26 284.046 133.245 406.443 1.00 0.00 C ATOM 413 O ALA A 26 283.193 132.460 406.039 1.00 0.00 O ATOM 414 CB ALA A 26 283.637 135.721 406.730 1.00 0.00 C ATOM 0 H ALA A 26 285.107 135.470 408.575 1.00 0.00 H new ATOM 0 HA ALA A 26 282.829 134.082 407.954 1.00 0.00 H new ATOM 0 HB1 ALA A 26 282.863 135.656 405.965 1.00 0.00 H new ATOM 0 HB2 ALA A 26 283.373 136.496 407.449 1.00 0.00 H new ATOM 0 HB3 ALA A 26 284.589 135.970 406.262 1.00 0.00 H new ATOM 420 N ALA A 27 285.345 133.134 406.121 1.00 0.00 N ATOM 421 CA ALA A 27 285.953 132.064 405.386 1.00 0.00 C ATOM 422 C ALA A 27 286.873 131.153 406.214 1.00 0.00 C ATOM 423 O ALA A 27 286.989 129.962 405.952 1.00 0.00 O ATOM 424 CB ALA A 27 286.733 132.777 404.286 1.00 0.00 C ATOM 0 H ALA A 27 286.023 133.845 406.394 1.00 0.00 H new ATOM 0 HA ALA A 27 285.192 131.375 405.019 1.00 0.00 H new ATOM 0 HB1 ALA A 27 287.239 132.040 403.663 1.00 0.00 H new ATOM 0 HB2 ALA A 27 286.046 133.361 403.673 1.00 0.00 H new ATOM 0 HB3 ALA A 27 287.472 133.441 404.735 1.00 0.00 H new ATOM 430 N HIS A 28 287.612 131.682 407.223 1.00 0.00 N ATOM 431 CA HIS A 28 288.637 130.969 408.003 1.00 0.00 C ATOM 432 C HIS A 28 288.190 129.907 409.018 1.00 0.00 C ATOM 433 O HIS A 28 288.954 129.022 409.392 1.00 0.00 O ATOM 434 CB HIS A 28 289.594 131.995 408.623 1.00 0.00 C ATOM 435 CG HIS A 28 290.999 131.554 408.840 1.00 0.00 C ATOM 436 ND1 HIS A 28 291.986 132.485 409.035 1.00 0.00 N ATOM 437 CD2 HIS A 28 291.626 130.351 408.782 1.00 0.00 C ATOM 438 CE1 HIS A 28 293.157 131.813 409.110 1.00 0.00 C ATOM 439 NE2 HIS A 28 292.985 130.519 408.963 1.00 0.00 N ATOM 0 H HIS A 28 287.501 132.651 407.520 1.00 0.00 H new ATOM 0 HA HIS A 28 289.135 130.336 407.269 1.00 0.00 H new ATOM 0 HB2 HIS A 28 289.609 132.876 407.982 1.00 0.00 H new ATOM 0 HB3 HIS A 28 289.183 132.306 409.583 1.00 0.00 H new ATOM 0 HD2 HIS A 28 291.135 129.403 408.619 1.00 0.00 H new ATOM 0 HE1 HIS A 28 294.116 132.283 409.271 1.00 0.00 H new ATOM 0 HE2 HIS A 28 293.702 129.793 408.979 1.00 0.00 H new ATOM 447 N LYS A 29 286.889 129.928 409.435 1.00 0.00 N ATOM 448 CA LYS A 29 286.188 128.951 410.289 1.00 0.00 C ATOM 449 C LYS A 29 285.945 127.604 409.596 1.00 0.00 C ATOM 450 O LYS A 29 285.403 126.656 410.152 1.00 0.00 O ATOM 451 CB LYS A 29 284.745 129.509 410.613 1.00 0.00 C ATOM 452 CG LYS A 29 283.811 129.597 409.368 1.00 0.00 C ATOM 453 CD LYS A 29 282.399 130.217 409.452 1.00 0.00 C ATOM 454 CE LYS A 29 282.153 131.621 410.027 1.00 0.00 C ATOM 455 NZ LYS A 29 282.411 131.673 411.485 1.00 0.00 N1+ ATOM 0 H LYS A 29 286.268 130.688 409.157 1.00 0.00 H new ATOM 0 HA LYS A 29 286.820 128.805 411.165 1.00 0.00 H new ATOM 0 HB2 LYS A 29 284.278 128.869 411.362 1.00 0.00 H new ATOM 0 HB3 LYS A 29 284.840 130.501 411.055 1.00 0.00 H new ATOM 0 HG2 LYS A 29 284.355 130.153 408.605 1.00 0.00 H new ATOM 0 HG3 LYS A 29 283.687 128.581 408.994 1.00 0.00 H new ATOM 0 HD2 LYS A 29 281.997 130.219 408.439 1.00 0.00 H new ATOM 0 HD3 LYS A 29 281.789 129.528 410.036 1.00 0.00 H new ATOM 0 HE2 LYS A 29 282.796 132.339 409.519 1.00 0.00 H new ATOM 0 HE3 LYS A 29 281.123 131.919 409.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 281.798 132.391 411.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 282.209 130.744 411.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 283.407 131.920 411.653 1.00 0.00 H new ATOM 469 N TYR A 30 286.226 127.616 408.277 1.00 0.00 N ATOM 470 CA TYR A 30 285.804 126.702 407.249 1.00 0.00 C ATOM 471 C TYR A 30 286.945 125.845 406.722 1.00 0.00 C ATOM 472 O TYR A 30 287.018 124.651 406.996 1.00 0.00 O ATOM 473 CB TYR A 30 285.202 127.679 406.206 1.00 0.00 C ATOM 474 CG TYR A 30 283.848 127.291 405.774 1.00 0.00 C ATOM 475 CD1 TYR A 30 282.759 128.009 406.210 1.00 0.00 C ATOM 476 CD2 TYR A 30 283.673 126.301 404.841 1.00 0.00 C ATOM 477 CE1 TYR A 30 281.493 127.628 405.860 1.00 0.00 C ATOM 478 CE2 TYR A 30 282.408 125.950 404.446 1.00 0.00 C ATOM 479 CZ TYR A 30 281.313 126.518 405.069 1.00 0.00 C ATOM 480 OH TYR A 30 280.023 125.972 404.940 1.00 0.00 O ATOM 0 H TYR A 30 286.817 128.351 407.888 1.00 0.00 H new ATOM 0 HA TYR A 30 285.095 125.942 407.579 1.00 0.00 H new ATOM 0 HB2 TYR A 30 285.169 128.682 406.631 1.00 0.00 H new ATOM 0 HB3 TYR A 30 285.857 127.723 405.336 1.00 0.00 H new ATOM 0 HD1 TYR A 30 282.905 128.879 406.833 1.00 0.00 H new ATOM 0 HD2 TYR A 30 284.530 125.799 404.418 1.00 0.00 H new ATOM 0 HE1 TYR A 30 280.640 128.195 406.203 1.00 0.00 H new ATOM 0 HE2 TYR A 30 282.268 125.232 403.651 1.00 0.00 H new ATOM 0 HH TYR A 30 279.356 126.684 405.032 1.00 0.00 H new ATOM 490 N VAL A 31 287.881 126.470 405.970 1.00 0.00 N ATOM 491 CA VAL A 31 289.186 125.994 405.512 1.00 0.00 C ATOM 492 C VAL A 31 289.844 127.314 405.405 1.00 0.00 C ATOM 493 O VAL A 31 289.102 128.249 405.119 1.00 0.00 O ATOM 494 CB VAL A 31 289.395 125.298 404.146 1.00 0.00 C ATOM 495 CG1 VAL A 31 288.246 124.318 403.886 1.00 0.00 C ATOM 496 CG2 VAL A 31 289.969 126.105 402.915 1.00 0.00 C ATOM 0 H VAL A 31 287.712 127.420 405.640 1.00 0.00 H new ATOM 0 HA VAL A 31 289.510 125.196 406.179 1.00 0.00 H new ATOM 0 HB VAL A 31 290.318 124.730 404.263 1.00 0.00 H new ATOM 0 HG11 VAL A 31 288.396 123.829 402.923 1.00 0.00 H new ATOM 0 HG12 VAL A 31 288.223 123.566 404.675 1.00 0.00 H new ATOM 0 HG13 VAL A 31 287.301 124.860 403.874 1.00 0.00 H new ATOM 0 HG21 VAL A 31 290.043 125.446 402.050 1.00 0.00 H new ATOM 0 HG22 VAL A 31 289.303 126.936 402.682 1.00 0.00 H new ATOM 0 HG23 VAL A 31 290.958 126.491 403.162 1.00 0.00 H new ATOM 506 N PRO A 32 291.125 127.541 405.568 1.00 0.00 N ATOM 507 CA PRO A 32 291.592 128.911 405.571 1.00 0.00 C ATOM 508 C PRO A 32 291.880 129.609 404.236 1.00 0.00 C ATOM 509 O PRO A 32 291.596 130.792 404.170 1.00 0.00 O ATOM 510 CB PRO A 32 292.934 128.665 406.313 1.00 0.00 C ATOM 511 CG PRO A 32 293.409 127.258 405.958 1.00 0.00 C ATOM 512 CD PRO A 32 292.077 126.545 406.045 1.00 0.00 C ATOM 0 HA PRO A 32 290.838 129.583 405.979 1.00 0.00 H new ATOM 0 HB2 PRO A 32 293.677 129.406 406.016 1.00 0.00 H new ATOM 0 HB3 PRO A 32 292.799 128.763 407.390 1.00 0.00 H new ATOM 0 HG2 PRO A 32 293.856 127.200 404.966 1.00 0.00 H new ATOM 0 HG3 PRO A 32 294.144 126.869 406.662 1.00 0.00 H new ATOM 0 HD2 PRO A 32 292.061 125.647 405.427 1.00 0.00 H new ATOM 0 HD3 PRO A 32 291.854 126.234 407.066 1.00 0.00 H new ATOM 520 N SER A 33 292.476 128.949 403.209 1.00 0.00 N ATOM 521 CA SER A 33 292.851 129.509 401.900 1.00 0.00 C ATOM 522 C SER A 33 293.545 128.445 401.038 1.00 0.00 C ATOM 523 O SER A 33 293.605 127.271 401.433 1.00 0.00 O ATOM 524 CB SER A 33 293.216 131.027 401.686 1.00 0.00 C ATOM 525 OG SER A 33 292.346 131.683 400.769 1.00 0.00 O ATOM 0 H SER A 33 292.717 127.961 403.284 1.00 0.00 H new ATOM 0 HA SER A 33 291.882 129.758 401.467 1.00 0.00 H new ATOM 0 HB2 SER A 33 293.180 131.543 402.646 1.00 0.00 H new ATOM 0 HB3 SER A 33 294.241 131.101 401.323 1.00 0.00 H new ATOM 0 HG SER A 33 291.434 131.683 401.127 1.00 0.00 H new ATOM 531 N TYR A 34 294.063 128.800 399.811 1.00 0.00 N ATOM 532 CA TYR A 34 294.768 128.017 398.744 1.00 0.00 C ATOM 533 C TYR A 34 295.868 127.025 399.169 1.00 0.00 C ATOM 534 O TYR A 34 296.177 126.065 398.471 1.00 0.00 O ATOM 535 CB TYR A 34 295.436 128.962 397.686 1.00 0.00 C ATOM 536 CG TYR A 34 294.631 130.205 397.409 1.00 0.00 C ATOM 537 CD1 TYR A 34 294.819 131.288 398.246 1.00 0.00 C ATOM 538 CD2 TYR A 34 293.759 130.319 396.331 1.00 0.00 C ATOM 539 CE1 TYR A 34 294.130 132.453 398.029 1.00 0.00 C ATOM 540 CE2 TYR A 34 293.122 131.523 396.047 1.00 0.00 C ATOM 541 CZ TYR A 34 293.328 132.573 396.928 1.00 0.00 C ATOM 542 OH TYR A 34 292.843 133.848 396.637 1.00 0.00 O ATOM 0 H TYR A 34 293.981 129.773 399.515 1.00 0.00 H new ATOM 0 HA TYR A 34 293.940 127.422 398.358 1.00 0.00 H new ATOM 0 HB2 TYR A 34 296.426 129.249 398.039 1.00 0.00 H new ATOM 0 HB3 TYR A 34 295.576 128.413 396.755 1.00 0.00 H new ATOM 0 HD1 TYR A 34 295.510 131.217 399.073 1.00 0.00 H new ATOM 0 HD2 TYR A 34 293.574 129.459 395.704 1.00 0.00 H new ATOM 0 HE1 TYR A 34 294.220 133.274 398.725 1.00 0.00 H new ATOM 0 HE2 TYR A 34 292.493 131.635 395.176 1.00 0.00 H new ATOM 0 HH TYR A 34 291.867 133.815 396.550 1.00 0.00 H new ATOM 552 N ALA A 35 296.442 127.196 400.379 1.00 0.00 N ATOM 553 CA ALA A 35 297.395 126.304 401.018 1.00 0.00 C ATOM 554 C ALA A 35 296.748 125.060 401.595 1.00 0.00 C ATOM 555 O ALA A 35 297.262 123.956 401.470 1.00 0.00 O ATOM 556 CB ALA A 35 298.103 127.067 402.156 1.00 0.00 C ATOM 0 H ALA A 35 296.232 128.010 400.957 1.00 0.00 H new ATOM 0 HA ALA A 35 298.099 125.979 400.252 1.00 0.00 H new ATOM 0 HB1 ALA A 35 298.821 126.408 402.644 1.00 0.00 H new ATOM 0 HB2 ALA A 35 298.624 127.931 401.745 1.00 0.00 H new ATOM 0 HB3 ALA A 35 297.364 127.401 402.884 1.00 0.00 H new ATOM 562 N PHE A 36 295.519 125.216 402.171 1.00 0.00 N ATOM 563 CA PHE A 36 294.641 124.122 402.542 1.00 0.00 C ATOM 564 C PHE A 36 294.022 123.587 401.249 1.00 0.00 C ATOM 565 O PHE A 36 294.082 122.397 400.963 1.00 0.00 O ATOM 566 CB PHE A 36 293.548 124.595 403.565 1.00 0.00 C ATOM 567 CG PHE A 36 292.563 123.471 403.959 1.00 0.00 C ATOM 568 CD1 PHE A 36 291.549 123.044 403.098 1.00 0.00 C ATOM 569 CD2 PHE A 36 292.657 122.824 405.179 1.00 0.00 C ATOM 570 CE1 PHE A 36 290.673 122.034 403.431 1.00 0.00 C ATOM 571 CE2 PHE A 36 291.767 121.822 405.530 1.00 0.00 C ATOM 572 CZ PHE A 36 290.767 121.430 404.661 1.00 0.00 C ATOM 0 H PHE A 36 295.126 126.133 402.384 1.00 0.00 H new ATOM 0 HA PHE A 36 295.197 123.331 403.046 1.00 0.00 H new ATOM 0 HB2 PHE A 36 294.038 124.973 404.463 1.00 0.00 H new ATOM 0 HB3 PHE A 36 292.989 125.425 403.133 1.00 0.00 H new ATOM 0 HD1 PHE A 36 291.448 123.523 402.136 1.00 0.00 H new ATOM 0 HD2 PHE A 36 293.438 123.105 405.870 1.00 0.00 H new ATOM 0 HE1 PHE A 36 289.916 121.719 402.728 1.00 0.00 H new ATOM 0 HE2 PHE A 36 291.856 121.342 406.493 1.00 0.00 H new ATOM 0 HZ PHE A 36 290.068 120.658 404.945 1.00 0.00 H new ATOM 582 N LEU A 37 293.430 124.492 400.412 1.00 0.00 N ATOM 583 CA LEU A 37 292.772 124.054 399.166 1.00 0.00 C ATOM 584 C LEU A 37 293.625 123.429 398.052 1.00 0.00 C ATOM 585 O LEU A 37 293.136 122.498 397.420 1.00 0.00 O ATOM 586 CB LEU A 37 291.604 124.935 398.623 1.00 0.00 C ATOM 587 CG LEU A 37 291.792 126.448 398.653 1.00 0.00 C ATOM 588 CD1 LEU A 37 291.842 127.066 397.245 1.00 0.00 C ATOM 589 CD2 LEU A 37 290.807 127.234 399.517 1.00 0.00 C ATOM 0 H LEU A 37 293.400 125.498 400.580 1.00 0.00 H new ATOM 0 HA LEU A 37 292.287 123.182 399.605 1.00 0.00 H new ATOM 0 HB2 LEU A 37 291.412 124.640 397.591 1.00 0.00 H new ATOM 0 HB3 LEU A 37 290.708 124.696 399.195 1.00 0.00 H new ATOM 0 HG LEU A 37 292.762 126.548 399.140 1.00 0.00 H new ATOM 0 HD11 LEU A 37 291.977 128.145 397.326 1.00 0.00 H new ATOM 0 HD12 LEU A 37 292.675 126.637 396.689 1.00 0.00 H new ATOM 0 HD13 LEU A 37 290.909 126.855 396.722 1.00 0.00 H new ATOM 0 HD21 LEU A 37 291.040 128.297 399.459 1.00 0.00 H new ATOM 0 HD22 LEU A 37 289.792 127.065 399.157 1.00 0.00 H new ATOM 0 HD23 LEU A 37 290.885 126.901 400.552 1.00 0.00 H new ATOM 601 N ARG A 38 294.918 123.807 397.775 1.00 0.00 N ATOM 602 CA ARG A 38 295.704 123.083 396.745 1.00 0.00 C ATOM 603 C ARG A 38 296.135 121.699 397.201 1.00 0.00 C ATOM 604 O ARG A 38 296.085 120.734 396.448 1.00 0.00 O ATOM 605 CB ARG A 38 296.958 123.869 396.262 1.00 0.00 C ATOM 606 CG ARG A 38 297.842 123.118 395.234 1.00 0.00 C ATOM 607 CD ARG A 38 298.825 123.985 394.436 1.00 0.00 C ATOM 608 NE ARG A 38 299.744 124.720 395.372 1.00 0.00 N ATOM 609 CZ ARG A 38 300.754 125.531 394.926 1.00 0.00 C ATOM 610 NH1 ARG A 38 300.963 125.718 393.590 1.00 0.00 N1+ ATOM 611 NH2 ARG A 38 301.560 126.160 395.830 1.00 0.00 N ATOM 0 H ARG A 38 295.409 124.574 398.233 1.00 0.00 H new ATOM 0 HA ARG A 38 295.017 122.982 395.905 1.00 0.00 H new ATOM 0 HB2 ARG A 38 296.631 124.810 395.820 1.00 0.00 H new ATOM 0 HB3 ARG A 38 297.568 124.120 397.130 1.00 0.00 H new ATOM 0 HG2 ARG A 38 298.409 122.352 395.763 1.00 0.00 H new ATOM 0 HG3 ARG A 38 297.189 122.602 394.530 1.00 0.00 H new ATOM 0 HD2 ARG A 38 299.407 123.359 393.759 1.00 0.00 H new ATOM 0 HD3 ARG A 38 298.276 124.697 393.819 1.00 0.00 H new ATOM 0 HE ARG A 38 299.610 124.611 396.377 1.00 0.00 H new ATOM 0 HH11 ARG A 38 300.363 125.251 392.910 1.00 0.00 H new ATOM 0 HH12 ARG A 38 301.719 126.325 393.272 1.00 0.00 H new ATOM 0 HH21 ARG A 38 301.408 126.025 396.830 1.00 0.00 H new ATOM 0 HH22 ARG A 38 302.314 126.765 395.506 1.00 0.00 H new ATOM 625 N ARG A 39 296.508 121.591 398.501 1.00 0.00 N ATOM 626 CA ARG A 39 296.866 120.376 399.219 1.00 0.00 C ATOM 627 C ARG A 39 295.670 119.438 399.439 1.00 0.00 C ATOM 628 O ARG A 39 295.819 118.221 399.389 1.00 0.00 O ATOM 629 CB ARG A 39 297.593 120.719 400.549 1.00 0.00 C ATOM 630 CG ARG A 39 299.064 121.196 400.404 1.00 0.00 C ATOM 631 CD ARG A 39 299.318 122.375 399.443 1.00 0.00 C ATOM 632 NE ARG A 39 300.725 122.878 399.630 1.00 0.00 N ATOM 633 CZ ARG A 39 301.124 124.138 399.272 1.00 0.00 C ATOM 634 NH1 ARG A 39 300.239 125.034 398.747 1.00 0.00 N1+ ATOM 635 NH2 ARG A 39 302.428 124.504 399.446 1.00 0.00 N ATOM 0 H ARG A 39 296.565 122.414 399.101 1.00 0.00 H new ATOM 0 HA ARG A 39 297.561 119.822 398.588 1.00 0.00 H new ATOM 0 HB2 ARG A 39 297.027 121.496 401.062 1.00 0.00 H new ATOM 0 HB3 ARG A 39 297.577 119.837 401.189 1.00 0.00 H new ATOM 0 HG2 ARG A 39 299.429 121.477 401.392 1.00 0.00 H new ATOM 0 HG3 ARG A 39 299.665 120.350 400.071 1.00 0.00 H new ATOM 0 HD2 ARG A 39 299.168 122.057 398.411 1.00 0.00 H new ATOM 0 HD3 ARG A 39 298.605 123.176 399.636 1.00 0.00 H new ATOM 0 HE ARG A 39 301.414 122.250 400.043 1.00 0.00 H new ATOM 0 HH11 ARG A 39 299.263 124.769 398.616 1.00 0.00 H new ATOM 0 HH12 ARG A 39 300.554 125.968 398.486 1.00 0.00 H new ATOM 0 HH21 ARG A 39 303.096 123.841 399.840 1.00 0.00 H new ATOM 0 HH22 ARG A 39 302.734 125.440 399.182 1.00 0.00 H new ATOM 649 N GLU A 40 294.436 119.991 399.662 1.00 0.00 N ATOM 650 CA GLU A 40 293.203 119.228 399.839 1.00 0.00 C ATOM 651 C GLU A 40 292.535 118.839 398.513 1.00 0.00 C ATOM 652 O GLU A 40 291.944 117.766 398.425 1.00 0.00 O ATOM 653 CB GLU A 40 292.244 119.947 400.829 1.00 0.00 C ATOM 654 CG GLU A 40 291.116 119.069 401.422 1.00 0.00 C ATOM 655 CD GLU A 40 289.835 119.133 400.590 1.00 0.00 C ATOM 656 OE1 GLU A 40 289.293 120.259 400.438 1.00 0.00 O ATOM 657 OE2 GLU A 40 289.375 118.062 400.110 1.00 0.00 O1- ATOM 0 H GLU A 40 294.292 120.999 399.721 1.00 0.00 H new ATOM 0 HA GLU A 40 293.474 118.275 400.293 1.00 0.00 H new ATOM 0 HB2 GLU A 40 292.835 120.352 401.650 1.00 0.00 H new ATOM 0 HB3 GLU A 40 291.789 120.794 400.316 1.00 0.00 H new ATOM 0 HG2 GLU A 40 291.456 118.035 401.482 1.00 0.00 H new ATOM 0 HG3 GLU A 40 290.902 119.394 402.440 1.00 0.00 H new ATOM 664 N LEU A 41 292.620 119.664 397.419 1.00 0.00 N ATOM 665 CA LEU A 41 292.026 119.263 396.132 1.00 0.00 C ATOM 666 C LEU A 41 292.921 118.369 395.282 1.00 0.00 C ATOM 667 O LEU A 41 292.476 117.857 394.257 1.00 0.00 O ATOM 668 CB LEU A 41 291.780 120.521 395.224 1.00 0.00 C ATOM 669 CG LEU A 41 290.358 121.130 395.277 1.00 0.00 C ATOM 670 CD1 LEU A 41 290.288 122.281 394.260 1.00 0.00 C ATOM 671 CD2 LEU A 41 289.218 120.129 395.007 1.00 0.00 C ATOM 0 H LEU A 41 293.080 120.575 397.416 1.00 0.00 H new ATOM 0 HA LEU A 41 291.117 118.733 396.418 1.00 0.00 H new ATOM 0 HB2 LEU A 41 292.495 121.294 395.507 1.00 0.00 H new ATOM 0 HB3 LEU A 41 291.998 120.247 394.192 1.00 0.00 H new ATOM 0 HG LEU A 41 290.202 121.475 396.299 1.00 0.00 H new ATOM 0 HD11 LEU A 41 289.293 122.725 394.281 1.00 0.00 H new ATOM 0 HD12 LEU A 41 291.029 123.038 394.516 1.00 0.00 H new ATOM 0 HD13 LEU A 41 290.493 121.897 393.261 1.00 0.00 H new ATOM 0 HD21 LEU A 41 288.260 120.645 395.065 1.00 0.00 H new ATOM 0 HD22 LEU A 41 289.339 119.699 394.013 1.00 0.00 H new ATOM 0 HD23 LEU A 41 289.248 119.334 395.752 1.00 0.00 H new ATOM 683 N GLY A 42 294.213 118.181 395.649 1.00 0.00 N ATOM 684 CA GLY A 42 295.190 117.361 394.922 1.00 0.00 C ATOM 685 C GLY A 42 295.710 117.901 393.597 1.00 0.00 C ATOM 686 O GLY A 42 296.690 117.389 393.065 1.00 0.00 O ATOM 0 H GLY A 42 294.607 118.613 396.485 1.00 0.00 H new ATOM 0 HA2 GLY A 42 296.045 117.196 395.577 1.00 0.00 H new ATOM 0 HA3 GLY A 42 294.739 116.386 394.735 1.00 0.00 H new ATOM 690 N LEU A 43 295.055 118.955 393.024 1.00 0.00 N ATOM 691 CA LEU A 43 295.377 119.577 391.742 1.00 0.00 C ATOM 692 C LEU A 43 296.101 120.924 391.862 1.00 0.00 C ATOM 693 O LEU A 43 295.734 121.788 392.659 1.00 0.00 O ATOM 694 CB LEU A 43 294.195 119.539 390.714 1.00 0.00 C ATOM 695 CG LEU A 43 293.317 120.793 390.474 1.00 0.00 C ATOM 696 CD1 LEU A 43 292.407 120.591 389.248 1.00 0.00 C ATOM 697 CD2 LEU A 43 292.459 121.211 391.673 1.00 0.00 C ATOM 0 H LEU A 43 294.257 119.399 393.478 1.00 0.00 H new ATOM 0 HA LEU A 43 296.133 118.934 391.291 1.00 0.00 H new ATOM 0 HB2 LEU A 43 294.617 119.253 389.750 1.00 0.00 H new ATOM 0 HB3 LEU A 43 293.528 118.734 391.022 1.00 0.00 H new ATOM 0 HG LEU A 43 294.026 121.603 390.303 1.00 0.00 H new ATOM 0 HD11 LEU A 43 291.798 121.482 389.096 1.00 0.00 H new ATOM 0 HD12 LEU A 43 293.021 120.416 388.364 1.00 0.00 H new ATOM 0 HD13 LEU A 43 291.757 119.732 389.415 1.00 0.00 H new ATOM 0 HD21 LEU A 43 291.879 122.097 391.414 1.00 0.00 H new ATOM 0 HD22 LEU A 43 291.782 120.398 391.937 1.00 0.00 H new ATOM 0 HD23 LEU A 43 293.105 121.436 392.522 1.00 0.00 H new ATOM 709 N SER A 44 297.167 121.154 391.030 1.00 0.00 N ATOM 710 CA SER A 44 298.034 122.353 391.030 1.00 0.00 C ATOM 711 C SER A 44 297.478 123.563 390.259 1.00 0.00 C ATOM 712 O SER A 44 298.180 124.250 389.515 1.00 0.00 O ATOM 713 CB SER A 44 299.496 122.015 390.557 1.00 0.00 C ATOM 714 OG SER A 44 300.495 122.904 391.086 1.00 0.00 O ATOM 0 H SER A 44 297.446 120.477 390.320 1.00 0.00 H new ATOM 0 HA SER A 44 298.058 122.664 392.074 1.00 0.00 H new ATOM 0 HB2 SER A 44 299.737 120.994 390.853 1.00 0.00 H new ATOM 0 HB3 SER A 44 299.533 122.048 389.468 1.00 0.00 H new ATOM 0 HG SER A 44 301.378 122.638 390.755 1.00 0.00 H new ATOM 720 N SER A 45 296.163 123.880 390.448 1.00 0.00 N ATOM 721 CA SER A 45 295.437 125.025 389.862 1.00 0.00 C ATOM 722 C SER A 45 295.764 126.387 390.458 1.00 0.00 C ATOM 723 O SER A 45 295.322 127.405 389.938 1.00 0.00 O ATOM 724 CB SER A 45 293.882 124.847 389.813 1.00 0.00 C ATOM 725 OG SER A 45 293.558 123.757 388.954 1.00 0.00 O ATOM 0 H SER A 45 295.561 123.311 391.043 1.00 0.00 H new ATOM 0 HA SER A 45 295.823 125.017 388.843 1.00 0.00 H new ATOM 0 HB2 SER A 45 293.494 124.663 390.815 1.00 0.00 H new ATOM 0 HB3 SER A 45 293.411 125.761 389.452 1.00 0.00 H new ATOM 0 HG SER A 45 294.239 123.679 388.254 1.00 0.00 H new ATOM 731 N ALA A 46 296.523 126.445 391.592 1.00 0.00 N ATOM 732 CA ALA A 46 296.742 127.643 392.415 1.00 0.00 C ATOM 733 C ALA A 46 297.582 128.770 391.845 1.00 0.00 C ATOM 734 O ALA A 46 297.478 129.895 392.324 1.00 0.00 O ATOM 735 CB ALA A 46 297.232 127.270 393.829 1.00 0.00 C ATOM 0 H ALA A 46 297.008 125.626 391.958 1.00 0.00 H new ATOM 0 HA ALA A 46 295.743 128.077 392.441 1.00 0.00 H new ATOM 0 HB1 ALA A 46 297.385 128.178 394.412 1.00 0.00 H new ATOM 0 HB2 ALA A 46 296.486 126.645 394.319 1.00 0.00 H new ATOM 0 HB3 ALA A 46 298.172 126.723 393.756 1.00 0.00 H new ATOM 741 N HIS A 47 298.370 128.492 390.763 1.00 0.00 N ATOM 742 CA HIS A 47 299.218 129.367 389.939 1.00 0.00 C ATOM 743 C HIS A 47 298.673 130.769 389.582 1.00 0.00 C ATOM 744 O HIS A 47 299.383 131.761 389.714 1.00 0.00 O ATOM 745 CB HIS A 47 299.643 128.624 388.635 1.00 0.00 C ATOM 746 CG HIS A 47 300.586 127.462 388.854 1.00 0.00 C ATOM 747 ND1 HIS A 47 300.245 126.173 389.221 1.00 0.00 N ATOM 748 CD2 HIS A 47 301.940 127.452 388.706 1.00 0.00 C ATOM 749 CE1 HIS A 47 301.401 125.462 389.281 1.00 0.00 C ATOM 750 NE2 HIS A 47 302.453 126.192 388.968 1.00 0.00 N ATOM 0 H HIS A 47 298.422 127.533 390.419 1.00 0.00 H new ATOM 0 HA HIS A 47 300.064 129.579 390.592 1.00 0.00 H new ATOM 0 HB2 HIS A 47 298.748 128.259 388.132 1.00 0.00 H new ATOM 0 HB3 HIS A 47 300.118 129.339 387.963 1.00 0.00 H new ATOM 0 HD1 HIS A 47 299.306 125.823 389.410 1.00 0.00 H new ATOM 0 HD2 HIS A 47 302.533 128.309 388.423 1.00 0.00 H new ATOM 0 HE1 HIS A 47 301.452 124.418 389.554 1.00 0.00 H new ATOM 758 N THR A 48 297.384 130.871 389.153 1.00 0.00 N ATOM 759 CA THR A 48 296.676 132.126 388.926 1.00 0.00 C ATOM 760 C THR A 48 295.393 132.028 389.744 1.00 0.00 C ATOM 761 O THR A 48 294.694 130.997 389.773 1.00 0.00 O ATOM 762 CB THR A 48 296.432 132.562 387.458 1.00 0.00 C ATOM 763 OG1 THR A 48 295.552 131.728 386.713 1.00 0.00 O ATOM 764 CG2 THR A 48 297.765 132.617 386.694 1.00 0.00 C ATOM 0 H THR A 48 296.810 130.051 388.956 1.00 0.00 H new ATOM 0 HA THR A 48 297.326 132.940 389.248 1.00 0.00 H new ATOM 0 HB THR A 48 295.955 133.538 387.545 1.00 0.00 H new ATOM 0 HG1 THR A 48 295.458 132.081 385.804 1.00 0.00 H new ATOM 0 HG21 THR A 48 297.582 132.924 385.664 1.00 0.00 H new ATOM 0 HG22 THR A 48 298.430 133.335 387.174 1.00 0.00 H new ATOM 0 HG23 THR A 48 298.229 131.631 386.701 1.00 0.00 H new ATOM 772 N ASN A 49 295.014 133.150 390.446 1.00 0.00 N ATOM 773 CA ASN A 49 293.838 133.266 391.326 1.00 0.00 C ATOM 774 C ASN A 49 292.536 132.950 390.607 1.00 0.00 C ATOM 775 O ASN A 49 291.721 132.174 391.082 1.00 0.00 O ATOM 776 CB ASN A 49 293.751 134.656 392.034 1.00 0.00 C ATOM 777 CG ASN A 49 293.115 134.520 393.422 1.00 0.00 C ATOM 778 OD1 ASN A 49 291.909 135.082 393.690 1.00 0.00 O flip ATOM 779 ND2 ASN A 49 293.742 133.880 394.266 1.00 0.00 N flip ATOM 0 H ASN A 49 295.550 134.017 390.400 1.00 0.00 H new ATOM 0 HA ASN A 49 293.981 132.511 392.099 1.00 0.00 H new ATOM 0 HB2 ASN A 49 294.749 135.085 392.126 1.00 0.00 H new ATOM 0 HB3 ASN A 49 293.163 135.343 391.425 1.00 0.00 H new ATOM 0 HD21 ASN A 49 294.646 133.472 394.029 1.00 0.00 H new ATOM 0 HD22 ASN A 49 293.358 133.758 395.203 1.00 0.00 H new ATOM 786 N ARG A 50 292.437 133.464 389.358 1.00 0.00 N ATOM 787 CA ARG A 50 291.396 133.283 388.368 1.00 0.00 C ATOM 788 C ARG A 50 291.228 131.834 387.908 1.00 0.00 C ATOM 789 O ARG A 50 290.099 131.406 387.726 1.00 0.00 O ATOM 790 CB ARG A 50 291.630 134.225 387.154 1.00 0.00 C ATOM 791 CG ARG A 50 291.504 135.742 387.460 1.00 0.00 C ATOM 792 CD ARG A 50 292.563 136.379 388.381 1.00 0.00 C ATOM 793 NE ARG A 50 293.931 136.163 387.791 1.00 0.00 N ATOM 794 CZ ARG A 50 295.087 136.523 388.433 1.00 0.00 C ATOM 795 NH1 ARG A 50 295.051 137.095 389.671 1.00 0.00 N1+ ATOM 796 NH2 ARG A 50 296.290 136.305 387.825 1.00 0.00 N ATOM 0 H ARG A 50 293.170 134.077 389.001 1.00 0.00 H new ATOM 0 HA ARG A 50 290.460 133.550 388.859 1.00 0.00 H new ATOM 0 HB2 ARG A 50 292.625 134.033 386.752 1.00 0.00 H new ATOM 0 HB3 ARG A 50 290.915 133.968 386.372 1.00 0.00 H new ATOM 0 HG2 ARG A 50 291.520 136.278 386.511 1.00 0.00 H new ATOM 0 HG3 ARG A 50 290.525 135.913 387.907 1.00 0.00 H new ATOM 0 HD2 ARG A 50 292.368 137.445 388.495 1.00 0.00 H new ATOM 0 HD3 ARG A 50 292.510 135.937 389.376 1.00 0.00 H new ATOM 0 HE ARG A 50 294.001 135.729 386.871 1.00 0.00 H new ATOM 0 HH11 ARG A 50 294.156 137.260 390.131 1.00 0.00 H new ATOM 0 HH12 ARG A 50 295.920 137.358 390.137 1.00 0.00 H new ATOM 0 HH21 ARG A 50 296.324 135.877 386.900 1.00 0.00 H new ATOM 0 HH22 ARG A 50 297.155 136.570 388.296 1.00 0.00 H new ATOM 810 N LYS A 51 292.334 131.041 387.739 1.00 0.00 N ATOM 811 CA LYS A 51 292.347 129.602 387.429 1.00 0.00 C ATOM 812 C LYS A 51 291.943 128.709 388.596 1.00 0.00 C ATOM 813 O LYS A 51 291.081 127.823 388.474 1.00 0.00 O ATOM 814 CB LYS A 51 293.731 129.142 386.906 1.00 0.00 C ATOM 815 CG LYS A 51 293.854 127.670 386.461 1.00 0.00 C ATOM 816 CD LYS A 51 295.245 127.365 385.880 1.00 0.00 C ATOM 817 CE LYS A 51 295.350 125.985 385.213 1.00 0.00 C ATOM 818 NZ LYS A 51 295.083 124.889 386.173 1.00 0.00 N1+ ATOM 0 H LYS A 51 293.277 131.422 387.823 1.00 0.00 H new ATOM 0 HA LYS A 51 291.593 129.487 386.651 1.00 0.00 H new ATOM 0 HB2 LYS A 51 294.002 129.776 386.062 1.00 0.00 H new ATOM 0 HB3 LYS A 51 294.467 129.322 387.690 1.00 0.00 H new ATOM 0 HG2 LYS A 51 293.664 127.016 387.312 1.00 0.00 H new ATOM 0 HG3 LYS A 51 293.092 127.451 385.714 1.00 0.00 H new ATOM 0 HD2 LYS A 51 295.499 128.132 385.148 1.00 0.00 H new ATOM 0 HD3 LYS A 51 295.984 127.429 386.679 1.00 0.00 H new ATOM 0 HE2 LYS A 51 294.641 125.926 384.387 1.00 0.00 H new ATOM 0 HE3 LYS A 51 296.346 125.861 384.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 295.962 124.363 386.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 294.730 125.288 387.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 294.369 124.246 385.775 1.00 0.00 H new ATOM 832 N VAL A 52 292.517 128.960 389.825 1.00 0.00 N ATOM 833 CA VAL A 52 292.150 128.185 391.036 1.00 0.00 C ATOM 834 C VAL A 52 290.756 128.448 391.481 1.00 0.00 C ATOM 835 O VAL A 52 290.028 127.489 391.720 1.00 0.00 O ATOM 836 CB VAL A 52 293.084 128.266 392.254 1.00 0.00 C ATOM 837 CG1 VAL A 52 293.168 129.667 392.913 1.00 0.00 C ATOM 838 CG2 VAL A 52 292.802 127.137 393.296 1.00 0.00 C ATOM 0 H VAL A 52 293.220 129.681 389.986 1.00 0.00 H new ATOM 0 HA VAL A 52 292.262 127.167 390.663 1.00 0.00 H new ATOM 0 HB VAL A 52 294.080 128.092 391.847 1.00 0.00 H new ATOM 0 HG11 VAL A 52 293.849 129.629 393.763 1.00 0.00 H new ATOM 0 HG12 VAL A 52 293.536 130.390 392.185 1.00 0.00 H new ATOM 0 HG13 VAL A 52 292.178 129.968 393.255 1.00 0.00 H new ATOM 0 HG21 VAL A 52 293.488 127.238 394.137 1.00 0.00 H new ATOM 0 HG22 VAL A 52 291.775 127.220 393.653 1.00 0.00 H new ATOM 0 HG23 VAL A 52 292.946 126.164 392.826 1.00 0.00 H new ATOM 848 N TRP A 53 290.348 129.755 391.448 1.00 0.00 N ATOM 849 CA TRP A 53 289.007 130.233 391.680 1.00 0.00 C ATOM 850 C TRP A 53 288.008 129.760 390.663 1.00 0.00 C ATOM 851 O TRP A 53 286.910 129.441 391.048 1.00 0.00 O ATOM 852 CB TRP A 53 288.896 131.736 391.856 1.00 0.00 C ATOM 853 CG TRP A 53 289.384 132.400 393.084 1.00 0.00 C ATOM 854 CD1 TRP A 53 289.101 133.712 393.289 1.00 0.00 C ATOM 855 CD2 TRP A 53 289.719 131.831 394.362 1.00 0.00 C ATOM 856 NE1 TRP A 53 289.180 134.002 394.610 1.00 0.00 N ATOM 857 CE2 TRP A 53 289.699 132.890 395.263 1.00 0.00 C ATOM 858 CE3 TRP A 53 289.967 130.543 394.776 1.00 0.00 C ATOM 859 CZ2 TRP A 53 290.023 132.679 396.568 1.00 0.00 C ATOM 860 CZ3 TRP A 53 290.195 130.325 396.114 1.00 0.00 C ATOM 861 CH2 TRP A 53 290.260 131.388 396.982 1.00 0.00 C ATOM 0 H TRP A 53 290.999 130.514 391.247 1.00 0.00 H new ATOM 0 HA TRP A 53 288.753 129.777 392.637 1.00 0.00 H new ATOM 0 HB2 TRP A 53 289.419 132.195 391.017 1.00 0.00 H new ATOM 0 HB3 TRP A 53 287.841 131.992 391.753 1.00 0.00 H new ATOM 0 HD1 TRP A 53 288.850 134.420 392.513 1.00 0.00 H new ATOM 0 HE1 TRP A 53 288.907 134.882 395.048 1.00 0.00 H new ATOM 0 HE3 TRP A 53 289.982 129.726 394.070 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 290.092 133.504 397.261 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 290.323 129.318 396.483 1.00 0.00 H new ATOM 0 HH2 TRP A 53 290.504 131.205 398.018 1.00 0.00 H new ATOM 872 N LYS A 54 288.381 129.590 389.376 1.00 0.00 N ATOM 873 CA LYS A 54 287.589 128.923 388.326 1.00 0.00 C ATOM 874 C LYS A 54 287.380 127.437 388.578 1.00 0.00 C ATOM 875 O LYS A 54 286.247 126.988 388.478 1.00 0.00 O ATOM 876 CB LYS A 54 288.377 129.071 387.008 1.00 0.00 C ATOM 877 CG LYS A 54 288.367 127.972 385.930 1.00 0.00 C ATOM 878 CD LYS A 54 289.172 128.432 384.712 1.00 0.00 C ATOM 879 CE LYS A 54 289.174 127.410 383.569 1.00 0.00 C ATOM 880 NZ LYS A 54 290.003 127.884 382.437 1.00 0.00 N1+ ATOM 0 H LYS A 54 289.279 129.928 389.029 1.00 0.00 H new ATOM 0 HA LYS A 54 286.603 129.387 388.301 1.00 0.00 H new ATOM 0 HB2 LYS A 54 288.024 129.985 386.530 1.00 0.00 H new ATOM 0 HB3 LYS A 54 289.419 129.236 387.280 1.00 0.00 H new ATOM 0 HG2 LYS A 54 288.792 127.052 386.332 1.00 0.00 H new ATOM 0 HG3 LYS A 54 287.342 127.748 385.636 1.00 0.00 H new ATOM 0 HD2 LYS A 54 288.762 129.374 384.348 1.00 0.00 H new ATOM 0 HD3 LYS A 54 290.200 128.629 385.017 1.00 0.00 H new ATOM 0 HE2 LYS A 54 289.556 126.455 383.930 1.00 0.00 H new ATOM 0 HE3 LYS A 54 288.153 127.236 383.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 289.989 127.176 381.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 289.622 128.783 382.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 290.982 128.026 382.759 1.00 0.00 H new ATOM 894 N LYS A 55 288.419 126.626 388.982 1.00 0.00 N ATOM 895 CA LYS A 55 288.190 125.217 389.401 1.00 0.00 C ATOM 896 C LYS A 55 287.359 125.113 390.700 1.00 0.00 C ATOM 897 O LYS A 55 286.427 124.316 390.856 1.00 0.00 O ATOM 898 CB LYS A 55 289.492 124.401 389.538 1.00 0.00 C ATOM 899 CG LYS A 55 290.382 124.439 388.290 1.00 0.00 C ATOM 900 CD LYS A 55 289.678 123.921 387.034 1.00 0.00 C ATOM 901 CE LYS A 55 290.650 123.691 385.869 1.00 0.00 C ATOM 902 NZ LYS A 55 291.310 124.953 385.460 1.00 0.00 N1+ ATOM 0 H LYS A 55 289.393 126.925 389.022 1.00 0.00 H new ATOM 0 HA LYS A 55 287.612 124.777 388.588 1.00 0.00 H new ATOM 0 HB2 LYS A 55 290.059 124.780 390.388 1.00 0.00 H new ATOM 0 HB3 LYS A 55 289.238 123.364 389.760 1.00 0.00 H new ATOM 0 HG2 LYS A 55 290.712 125.463 388.118 1.00 0.00 H new ATOM 0 HG3 LYS A 55 291.276 123.842 388.470 1.00 0.00 H new ATOM 0 HD2 LYS A 55 289.167 122.987 387.267 1.00 0.00 H new ATOM 0 HD3 LYS A 55 288.913 124.635 386.729 1.00 0.00 H new ATOM 0 HE2 LYS A 55 291.405 122.962 386.162 1.00 0.00 H new ATOM 0 HE3 LYS A 55 290.111 123.269 385.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 291.532 124.915 384.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 290.673 125.754 385.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 292.189 125.077 386.002 1.00 0.00 H new ATOM 916 N PHE A 56 287.630 126.089 391.602 1.00 0.00 N ATOM 917 CA PHE A 56 286.861 126.356 392.835 1.00 0.00 C ATOM 918 C PHE A 56 285.382 126.753 392.605 1.00 0.00 C ATOM 919 O PHE A 56 284.469 126.199 393.211 1.00 0.00 O ATOM 920 CB PHE A 56 287.595 127.387 393.736 1.00 0.00 C ATOM 921 CG PHE A 56 288.084 126.766 395.000 1.00 0.00 C ATOM 922 CD1 PHE A 56 287.696 127.319 396.194 1.00 0.00 C ATOM 923 CD2 PHE A 56 288.837 125.602 395.006 1.00 0.00 C ATOM 924 CE1 PHE A 56 287.939 126.685 397.381 1.00 0.00 C ATOM 925 CE2 PHE A 56 289.077 124.949 396.197 1.00 0.00 C ATOM 926 CZ PHE A 56 288.604 125.483 397.374 1.00 0.00 C ATOM 0 H PHE A 56 288.415 126.730 391.484 1.00 0.00 H new ATOM 0 HA PHE A 56 286.812 125.400 393.356 1.00 0.00 H new ATOM 0 HB2 PHE A 56 288.437 127.813 393.190 1.00 0.00 H new ATOM 0 HB3 PHE A 56 286.920 128.209 393.972 1.00 0.00 H new ATOM 0 HD1 PHE A 56 287.189 128.273 396.197 1.00 0.00 H new ATOM 0 HD2 PHE A 56 289.234 125.208 394.082 1.00 0.00 H new ATOM 0 HE1 PHE A 56 287.612 127.124 398.312 1.00 0.00 H new ATOM 0 HE2 PHE A 56 289.633 124.023 396.206 1.00 0.00 H new ATOM 0 HZ PHE A 56 288.757 124.952 398.302 1.00 0.00 H new ATOM 936 N VAL A 57 285.125 127.681 391.642 1.00 0.00 N ATOM 937 CA VAL A 57 283.849 128.109 391.066 1.00 0.00 C ATOM 938 C VAL A 57 283.116 127.069 390.230 1.00 0.00 C ATOM 939 O VAL A 57 281.890 126.987 390.270 1.00 0.00 O ATOM 940 CB VAL A 57 283.518 129.605 390.946 1.00 0.00 C ATOM 941 CG1 VAL A 57 283.345 130.155 392.399 1.00 0.00 C ATOM 942 CG2 VAL A 57 284.429 130.486 390.063 1.00 0.00 C ATOM 0 H VAL A 57 285.898 128.192 391.215 1.00 0.00 H new ATOM 0 HA VAL A 57 283.196 128.117 391.939 1.00 0.00 H new ATOM 0 HB VAL A 57 282.597 129.673 390.368 1.00 0.00 H new ATOM 0 HG11 VAL A 57 283.108 131.218 392.360 1.00 0.00 H new ATOM 0 HG12 VAL A 57 282.535 129.621 392.896 1.00 0.00 H new ATOM 0 HG13 VAL A 57 284.271 130.010 392.956 1.00 0.00 H new ATOM 0 HG21 VAL A 57 284.067 131.514 390.079 1.00 0.00 H new ATOM 0 HG22 VAL A 57 285.449 130.454 390.447 1.00 0.00 H new ATOM 0 HG23 VAL A 57 284.415 130.112 389.039 1.00 0.00 H new ATOM 952 N GLU A 58 283.869 126.176 389.531 1.00 0.00 N ATOM 953 CA GLU A 58 283.401 124.930 388.909 1.00 0.00 C ATOM 954 C GLU A 58 282.889 123.921 389.975 1.00 0.00 C ATOM 955 O GLU A 58 281.837 123.312 389.794 1.00 0.00 O ATOM 956 CB GLU A 58 284.514 124.318 388.017 1.00 0.00 C ATOM 957 CG GLU A 58 284.065 123.157 387.111 1.00 0.00 C ATOM 958 CD GLU A 58 285.237 122.734 386.226 1.00 0.00 C ATOM 959 OE1 GLU A 58 286.278 122.297 386.788 1.00 0.00 O ATOM 960 OE2 GLU A 58 285.109 122.844 384.977 1.00 0.00 O1- ATOM 0 H GLU A 58 284.868 126.324 389.385 1.00 0.00 H new ATOM 0 HA GLU A 58 282.552 125.165 388.267 1.00 0.00 H new ATOM 0 HB2 GLU A 58 284.930 125.107 387.390 1.00 0.00 H new ATOM 0 HB3 GLU A 58 285.320 123.965 388.661 1.00 0.00 H new ATOM 0 HG2 GLU A 58 283.728 122.316 387.717 1.00 0.00 H new ATOM 0 HG3 GLU A 58 283.220 123.465 386.495 1.00 0.00 H new ATOM 967 N ALA A 59 283.589 123.808 391.158 1.00 0.00 N ATOM 968 CA ALA A 59 283.153 123.056 392.352 1.00 0.00 C ATOM 969 C ALA A 59 281.907 123.572 393.028 1.00 0.00 C ATOM 970 O ALA A 59 281.038 122.824 393.426 1.00 0.00 O ATOM 971 CB ALA A 59 284.119 123.180 393.548 1.00 0.00 C ATOM 0 H ALA A 59 284.495 124.257 391.291 1.00 0.00 H new ATOM 0 HA ALA A 59 283.051 122.065 391.910 1.00 0.00 H new ATOM 0 HB1 ALA A 59 283.734 122.602 394.388 1.00 0.00 H new ATOM 0 HB2 ALA A 59 285.100 122.799 393.264 1.00 0.00 H new ATOM 0 HB3 ALA A 59 284.207 124.227 393.838 1.00 0.00 H new ATOM 977 N TYR A 60 281.861 124.911 393.216 1.00 0.00 N ATOM 978 CA TYR A 60 280.958 125.750 394.001 1.00 0.00 C ATOM 979 C TYR A 60 279.432 125.521 393.791 1.00 0.00 C ATOM 980 O TYR A 60 278.597 125.867 394.607 1.00 0.00 O ATOM 981 CB TYR A 60 281.344 127.194 393.551 1.00 0.00 C ATOM 982 CG TYR A 60 280.912 128.434 394.281 1.00 0.00 C ATOM 983 CD1 TYR A 60 279.838 129.169 393.808 1.00 0.00 C ATOM 984 CD2 TYR A 60 281.740 129.001 395.241 1.00 0.00 C ATOM 985 CE1 TYR A 60 279.574 130.427 394.315 1.00 0.00 C ATOM 986 CE2 TYR A 60 281.499 130.268 395.726 1.00 0.00 C ATOM 987 CZ TYR A 60 280.394 130.963 395.280 1.00 0.00 C ATOM 988 OH TYR A 60 280.100 132.214 395.843 1.00 0.00 O ATOM 0 H TYR A 60 282.556 125.496 392.752 1.00 0.00 H new ATOM 0 HA TYR A 60 281.084 125.525 395.060 1.00 0.00 H new ATOM 0 HB2 TYR A 60 282.433 127.223 393.515 1.00 0.00 H new ATOM 0 HB3 TYR A 60 280.988 127.301 392.526 1.00 0.00 H new ATOM 0 HD1 TYR A 60 279.203 128.756 393.038 1.00 0.00 H new ATOM 0 HD2 TYR A 60 282.585 128.441 395.613 1.00 0.00 H new ATOM 0 HE1 TYR A 60 278.725 130.988 393.954 1.00 0.00 H new ATOM 0 HE2 TYR A 60 282.168 130.712 396.448 1.00 0.00 H new ATOM 0 HH TYR A 60 279.177 132.461 395.627 1.00 0.00 H new ATOM 998 N GLY A 61 279.074 124.802 392.712 1.00 0.00 N ATOM 999 CA GLY A 61 277.792 124.135 392.478 1.00 0.00 C ATOM 1000 C GLY A 61 277.556 122.792 393.193 1.00 0.00 C ATOM 1001 O GLY A 61 276.514 122.187 392.976 1.00 0.00 O ATOM 0 H GLY A 61 279.718 124.666 391.933 1.00 0.00 H new ATOM 0 HA2 GLY A 61 276.997 124.819 392.773 1.00 0.00 H new ATOM 0 HA3 GLY A 61 277.688 123.969 391.406 1.00 0.00 H new ATOM 1005 N LYS A 62 278.502 122.278 394.049 1.00 0.00 N ATOM 1006 CA LYS A 62 278.478 120.995 394.767 1.00 0.00 C ATOM 1007 C LYS A 62 277.878 120.967 396.175 1.00 0.00 C ATOM 1008 O LYS A 62 277.065 120.097 396.458 1.00 0.00 O ATOM 1009 CB LYS A 62 279.859 120.251 394.702 1.00 0.00 C ATOM 1010 CG LYS A 62 281.065 120.814 395.505 1.00 0.00 C ATOM 1011 CD LYS A 62 281.559 120.001 396.715 1.00 0.00 C ATOM 1012 CE LYS A 62 281.296 120.699 398.058 1.00 0.00 C ATOM 1013 NZ LYS A 62 281.973 120.000 399.173 1.00 0.00 N1+ ATOM 0 H LYS A 62 279.353 122.802 394.256 1.00 0.00 H new ATOM 0 HA LYS A 62 277.738 120.436 394.194 1.00 0.00 H new ATOM 0 HB2 LYS A 62 279.695 119.226 395.034 1.00 0.00 H new ATOM 0 HB3 LYS A 62 280.156 120.203 393.654 1.00 0.00 H new ATOM 0 HG2 LYS A 62 281.901 120.932 394.816 1.00 0.00 H new ATOM 0 HG3 LYS A 62 280.798 121.811 395.857 1.00 0.00 H new ATOM 0 HD2 LYS A 62 281.068 119.028 396.716 1.00 0.00 H new ATOM 0 HD3 LYS A 62 282.629 119.819 396.610 1.00 0.00 H new ATOM 0 HE2 LYS A 62 281.645 121.730 398.008 1.00 0.00 H new ATOM 0 HE3 LYS A 62 280.223 120.735 398.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 282.341 120.700 399.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 281.294 119.376 399.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 282.760 119.432 398.800 1.00 0.00 H new ATOM 1027 N ALA A 63 278.232 121.899 397.114 1.00 0.00 N ATOM 1028 CA ALA A 63 277.675 121.982 398.484 1.00 0.00 C ATOM 1029 C ALA A 63 276.475 122.921 398.557 1.00 0.00 C ATOM 1030 O ALA A 63 275.842 123.075 399.599 1.00 0.00 O ATOM 1031 CB ALA A 63 278.708 122.419 399.575 1.00 0.00 C ATOM 0 H ALA A 63 278.926 122.622 396.926 1.00 0.00 H new ATOM 0 HA ALA A 63 277.371 120.959 398.703 1.00 0.00 H new ATOM 0 HB1 ALA A 63 278.217 122.454 400.548 1.00 0.00 H new ATOM 0 HB2 ALA A 63 279.528 121.702 399.608 1.00 0.00 H new ATOM 0 HB3 ALA A 63 279.100 123.406 399.331 1.00 0.00 H new ATOM 1037 N ILE A 64 276.137 123.587 397.435 1.00 0.00 N ATOM 1038 CA ILE A 64 275.032 124.528 397.315 1.00 0.00 C ATOM 1039 C ILE A 64 273.777 123.870 396.704 1.00 0.00 C ATOM 1040 O ILE A 64 273.929 123.133 395.730 1.00 0.00 O ATOM 1041 CB ILE A 64 275.507 125.747 396.518 1.00 0.00 C ATOM 1042 CG1 ILE A 64 274.719 127.024 396.845 1.00 0.00 C ATOM 1043 CG2 ILE A 64 275.554 125.490 394.997 1.00 0.00 C ATOM 1044 CD1 ILE A 64 274.912 127.522 398.283 1.00 0.00 C ATOM 0 H ILE A 64 276.652 123.472 396.562 1.00 0.00 H new ATOM 0 HA ILE A 64 274.728 124.858 398.308 1.00 0.00 H new ATOM 0 HB ILE A 64 276.533 125.916 396.845 1.00 0.00 H new ATOM 0 HG12 ILE A 64 275.020 127.812 396.155 1.00 0.00 H new ATOM 0 HG13 ILE A 64 273.659 126.839 396.674 1.00 0.00 H new ATOM 0 HG21 ILE A 64 275.898 126.390 394.486 1.00 0.00 H new ATOM 0 HG22 ILE A 64 276.240 124.669 394.788 1.00 0.00 H new ATOM 0 HG23 ILE A 64 274.557 125.229 394.641 1.00 0.00 H new ATOM 0 HD11 ILE A 64 274.324 128.427 398.437 1.00 0.00 H new ATOM 0 HD12 ILE A 64 274.583 126.753 398.982 1.00 0.00 H new ATOM 0 HD13 ILE A 64 275.966 127.741 398.454 1.00 0.00 H new ATOM 1056 N PRO A 65 272.526 124.024 397.226 1.00 0.00 N ATOM 1057 CA PRO A 65 271.317 123.461 396.623 1.00 0.00 C ATOM 1058 C PRO A 65 270.755 124.348 395.467 1.00 0.00 C ATOM 1059 O PRO A 65 271.155 123.984 394.363 1.00 0.00 O ATOM 1060 CB PRO A 65 270.437 123.163 397.853 1.00 0.00 C ATOM 1061 CG PRO A 65 270.881 124.128 398.968 1.00 0.00 C ATOM 1062 CD PRO A 65 272.252 124.653 398.517 1.00 0.00 C ATOM 0 HA PRO A 65 271.444 122.540 396.053 1.00 0.00 H new ATOM 0 HB2 PRO A 65 269.383 123.306 397.617 1.00 0.00 H new ATOM 0 HB3 PRO A 65 270.555 122.127 398.170 1.00 0.00 H new ATOM 0 HG2 PRO A 65 270.168 124.943 399.092 1.00 0.00 H new ATOM 0 HG3 PRO A 65 270.951 123.617 399.928 1.00 0.00 H new ATOM 0 HD2 PRO A 65 272.242 125.739 398.426 1.00 0.00 H new ATOM 0 HD3 PRO A 65 273.024 124.401 399.244 1.00 0.00 H new ATOM 1070 N PRO A 66 269.902 125.418 395.470 1.00 0.00 N ATOM 1071 CA PRO A 66 269.471 126.099 394.237 1.00 0.00 C ATOM 1072 C PRO A 66 270.460 127.184 393.766 1.00 0.00 C ATOM 1073 O PRO A 66 270.675 127.311 392.564 1.00 0.00 O ATOM 1074 CB PRO A 66 268.103 126.689 394.645 1.00 0.00 C ATOM 1075 CG PRO A 66 268.239 127.023 396.134 1.00 0.00 C ATOM 1076 CD PRO A 66 269.222 125.963 396.648 1.00 0.00 C ATOM 0 HA PRO A 66 269.419 125.428 393.380 1.00 0.00 H new ATOM 0 HB2 PRO A 66 267.868 127.579 394.061 1.00 0.00 H new ATOM 0 HB3 PRO A 66 267.299 125.974 394.474 1.00 0.00 H new ATOM 0 HG2 PRO A 66 268.621 128.032 396.286 1.00 0.00 H new ATOM 0 HG3 PRO A 66 267.280 126.964 396.648 1.00 0.00 H new ATOM 0 HD2 PRO A 66 269.939 126.403 397.341 1.00 0.00 H new ATOM 0 HD3 PRO A 66 268.696 125.177 397.190 1.00 0.00 H new ATOM 1084 N ALA A 67 271.034 127.972 394.694 1.00 0.00 N ATOM 1085 CA ALA A 67 271.943 129.076 394.505 1.00 0.00 C ATOM 1086 C ALA A 67 272.120 129.533 395.944 1.00 0.00 C ATOM 1087 O ALA A 67 271.370 128.995 396.766 1.00 0.00 O ATOM 1088 CB ALA A 67 271.317 130.190 393.620 1.00 0.00 C ATOM 0 H ALA A 67 270.843 127.822 395.685 1.00 0.00 H new ATOM 0 HA ALA A 67 272.870 128.821 393.991 1.00 0.00 H new ATOM 0 HB1 ALA A 67 272.032 131.004 393.500 1.00 0.00 H new ATOM 0 HB2 ALA A 67 271.067 129.780 392.641 1.00 0.00 H new ATOM 0 HB3 ALA A 67 270.413 130.568 394.097 1.00 0.00 H new ATOM 1094 N PRO A 68 273.051 130.419 396.357 1.00 0.00 N ATOM 1095 CA PRO A 68 273.174 130.909 397.739 1.00 0.00 C ATOM 1096 C PRO A 68 272.051 131.914 398.115 1.00 0.00 C ATOM 1097 O PRO A 68 271.998 132.957 397.461 1.00 0.00 O ATOM 1098 CB PRO A 68 274.579 131.538 397.755 1.00 0.00 C ATOM 1099 CG PRO A 68 274.859 131.969 396.314 1.00 0.00 C ATOM 1100 CD PRO A 68 274.123 130.915 395.490 1.00 0.00 C ATOM 0 HA PRO A 68 273.059 130.123 398.486 1.00 0.00 H new ATOM 0 HB2 PRO A 68 274.618 132.391 398.433 1.00 0.00 H new ATOM 0 HB3 PRO A 68 275.324 130.822 398.101 1.00 0.00 H new ATOM 0 HG2 PRO A 68 274.484 132.972 396.113 1.00 0.00 H new ATOM 0 HG3 PRO A 68 275.927 131.978 396.096 1.00 0.00 H new ATOM 0 HD2 PRO A 68 273.719 131.345 394.573 1.00 0.00 H new ATOM 0 HD3 PRO A 68 274.794 130.108 395.195 1.00 0.00 H new ATOM 1108 N PRO A 69 271.123 131.664 399.067 1.00 0.00 N ATOM 1109 CA PRO A 69 269.977 132.543 399.257 1.00 0.00 C ATOM 1110 C PRO A 69 269.883 133.121 400.684 1.00 0.00 C ATOM 1111 O PRO A 69 268.884 133.788 400.952 1.00 0.00 O ATOM 1112 CB PRO A 69 268.845 131.536 398.953 1.00 0.00 C ATOM 1113 CG PRO A 69 269.322 130.193 399.545 1.00 0.00 C ATOM 1114 CD PRO A 69 270.853 130.331 399.624 1.00 0.00 C ATOM 0 HA PRO A 69 269.984 133.445 398.645 1.00 0.00 H new ATOM 0 HB2 PRO A 69 267.905 131.853 399.405 1.00 0.00 H new ATOM 0 HB3 PRO A 69 268.671 131.453 397.880 1.00 0.00 H new ATOM 0 HG2 PRO A 69 268.888 130.016 400.529 1.00 0.00 H new ATOM 0 HG3 PRO A 69 269.031 129.354 398.913 1.00 0.00 H new ATOM 0 HD2 PRO A 69 271.208 130.249 400.651 1.00 0.00 H new ATOM 0 HD3 PRO A 69 271.354 129.551 399.051 1.00 0.00 H new ATOM 1122 N ALA A 70 270.833 132.893 401.630 1.00 0.00 N ATOM 1123 CA ALA A 70 270.688 133.338 403.010 1.00 0.00 C ATOM 1124 C ALA A 70 272.061 133.455 403.680 1.00 0.00 C ATOM 1125 O ALA A 70 273.009 132.810 403.214 1.00 0.00 O ATOM 1126 CB ALA A 70 269.813 132.319 403.792 1.00 0.00 C ATOM 0 H ALA A 70 271.706 132.399 401.443 1.00 0.00 H new ATOM 0 HA ALA A 70 270.209 134.317 403.017 1.00 0.00 H new ATOM 0 HB1 ALA A 70 269.704 132.650 404.825 1.00 0.00 H new ATOM 0 HB2 ALA A 70 268.830 132.251 403.327 1.00 0.00 H new ATOM 0 HB3 ALA A 70 270.291 131.340 403.774 1.00 0.00 H new ATOM 1132 N PRO A 71 272.238 134.274 404.751 1.00 0.00 N ATOM 1133 CA PRO A 71 273.489 134.406 405.503 1.00 0.00 C ATOM 1134 C PRO A 71 273.611 133.327 406.612 1.00 0.00 C ATOM 1135 O PRO A 71 272.631 132.616 406.853 1.00 0.00 O ATOM 1136 CB PRO A 71 273.330 135.820 406.104 1.00 0.00 C ATOM 1137 CG PRO A 71 271.842 135.924 406.437 1.00 0.00 C ATOM 1138 CD PRO A 71 271.186 135.148 405.290 1.00 0.00 C ATOM 0 HA PRO A 71 274.387 134.273 404.899 1.00 0.00 H new ATOM 0 HB2 PRO A 71 273.946 135.945 406.994 1.00 0.00 H new ATOM 0 HB3 PRO A 71 273.634 136.590 405.395 1.00 0.00 H new ATOM 0 HG2 PRO A 71 271.612 135.484 407.407 1.00 0.00 H new ATOM 0 HG3 PRO A 71 271.506 136.960 406.469 1.00 0.00 H new ATOM 0 HD2 PRO A 71 270.337 134.565 405.647 1.00 0.00 H new ATOM 0 HD3 PRO A 71 270.809 135.825 404.524 1.00 0.00 H new ATOM 1146 N PRO A 72 274.761 133.146 407.296 1.00 0.00 N ATOM 1147 CA PRO A 72 274.917 132.184 408.385 1.00 0.00 C ATOM 1148 C PRO A 72 274.334 132.691 409.719 1.00 0.00 C ATOM 1149 O PRO A 72 274.177 133.888 409.963 1.00 0.00 O ATOM 1150 CB PRO A 72 276.444 131.991 408.450 1.00 0.00 C ATOM 1151 CG PRO A 72 277.010 133.351 408.038 1.00 0.00 C ATOM 1152 CD PRO A 72 276.008 133.852 407.003 1.00 0.00 C ATOM 0 HA PRO A 72 274.372 131.256 408.210 1.00 0.00 H new ATOM 0 HB2 PRO A 72 276.768 131.712 409.452 1.00 0.00 H new ATOM 0 HB3 PRO A 72 276.775 131.201 407.776 1.00 0.00 H new ATOM 0 HG2 PRO A 72 277.083 134.030 408.888 1.00 0.00 H new ATOM 0 HG3 PRO A 72 278.011 133.259 407.616 1.00 0.00 H new ATOM 0 HD2 PRO A 72 275.875 134.931 407.076 1.00 0.00 H new ATOM 0 HD3 PRO A 72 276.351 133.641 405.990 1.00 0.00 H new ATOM 1160 N LEU A 73 274.018 131.740 410.631 1.00 0.00 N ATOM 1161 CA LEU A 73 273.459 131.968 411.956 1.00 0.00 C ATOM 1162 C LEU A 73 274.541 132.300 412.989 1.00 0.00 C ATOM 1163 O LEU A 73 275.348 131.469 413.397 1.00 0.00 O ATOM 1164 CB LEU A 73 272.531 130.796 412.415 1.00 0.00 C ATOM 1165 CG LEU A 73 273.134 129.360 412.412 1.00 0.00 C ATOM 1166 CD1 LEU A 73 272.531 128.485 413.531 1.00 0.00 C ATOM 1167 CD2 LEU A 73 272.985 128.619 411.066 1.00 0.00 C ATOM 0 H LEU A 73 274.159 130.748 410.438 1.00 0.00 H new ATOM 0 HA LEU A 73 272.823 132.850 411.882 1.00 0.00 H new ATOM 0 HB2 LEU A 73 272.187 131.015 413.426 1.00 0.00 H new ATOM 0 HB3 LEU A 73 271.650 130.793 411.773 1.00 0.00 H new ATOM 0 HG LEU A 73 274.199 129.512 412.588 1.00 0.00 H new ATOM 0 HD11 LEU A 73 272.977 127.491 413.496 1.00 0.00 H new ATOM 0 HD12 LEU A 73 272.736 128.941 414.500 1.00 0.00 H new ATOM 0 HD13 LEU A 73 271.453 128.404 413.389 1.00 0.00 H new ATOM 0 HD21 LEU A 73 273.430 127.627 411.146 1.00 0.00 H new ATOM 0 HD22 LEU A 73 271.928 128.524 410.818 1.00 0.00 H new ATOM 0 HD23 LEU A 73 273.492 129.182 410.283 1.00 0.00 H new ATOM 1179 N THR A 74 274.576 133.580 413.412 1.00 0.00 N ATOM 1180 CA THR A 74 275.523 134.108 414.380 1.00 0.00 C ATOM 1181 C THR A 74 274.862 135.373 414.907 1.00 0.00 C ATOM 1182 O THR A 74 273.821 135.783 414.396 1.00 0.00 O ATOM 1183 CB THR A 74 276.962 134.263 413.848 1.00 0.00 C ATOM 1184 OG1 THR A 74 277.864 134.776 414.830 1.00 0.00 O ATOM 1185 CG2 THR A 74 277.032 135.126 412.572 1.00 0.00 C ATOM 0 H THR A 74 273.922 134.285 413.072 1.00 0.00 H new ATOM 0 HA THR A 74 275.711 133.410 415.196 1.00 0.00 H new ATOM 0 HB THR A 74 277.279 133.251 413.595 1.00 0.00 H new ATOM 0 HG1 THR A 74 278.761 134.853 414.442 1.00 0.00 H new ATOM 0 HG21 THR A 74 278.068 135.202 412.241 1.00 0.00 H new ATOM 0 HG22 THR A 74 276.433 134.664 411.787 1.00 0.00 H new ATOM 0 HG23 THR A 74 276.645 136.122 412.785 1.00 0.00 H new ATOM 1193 N LEU A 75 275.432 135.978 415.980 1.00 0.00 N ATOM 1194 CA LEU A 75 274.906 137.117 416.736 1.00 0.00 C ATOM 1195 C LEU A 75 275.628 138.405 416.357 1.00 0.00 C ATOM 1196 O LEU A 75 276.093 139.190 417.185 1.00 0.00 O ATOM 1197 CB LEU A 75 275.015 136.903 418.279 1.00 0.00 C ATOM 1198 CG LEU A 75 274.272 135.674 418.879 1.00 0.00 C ATOM 1199 CD1 LEU A 75 272.794 135.583 418.454 1.00 0.00 C ATOM 1200 CD2 LEU A 75 274.982 134.322 418.658 1.00 0.00 C ATOM 0 H LEU A 75 276.325 135.656 416.354 1.00 0.00 H new ATOM 0 HA LEU A 75 273.851 137.199 416.475 1.00 0.00 H new ATOM 0 HB2 LEU A 75 276.071 136.818 418.535 1.00 0.00 H new ATOM 0 HB3 LEU A 75 274.639 137.799 418.772 1.00 0.00 H new ATOM 0 HG LEU A 75 274.301 135.868 419.951 1.00 0.00 H new ATOM 0 HD11 LEU A 75 272.338 134.703 418.908 1.00 0.00 H new ATOM 0 HD12 LEU A 75 272.265 136.477 418.784 1.00 0.00 H new ATOM 0 HD13 LEU A 75 272.732 135.504 417.369 1.00 0.00 H new ATOM 0 HD21 LEU A 75 274.393 133.524 419.109 1.00 0.00 H new ATOM 0 HD22 LEU A 75 275.086 134.136 417.589 1.00 0.00 H new ATOM 0 HD23 LEU A 75 275.969 134.350 419.119 1.00 0.00 H new ATOM 1212 N SER A 76 275.728 138.670 415.042 1.00 0.00 N ATOM 1213 CA SER A 76 276.414 139.772 414.383 1.00 0.00 C ATOM 1214 C SER A 76 275.773 141.162 414.508 1.00 0.00 C ATOM 1215 O SER A 76 275.529 141.848 413.521 1.00 0.00 O ATOM 1216 CB SER A 76 276.572 139.359 412.902 1.00 0.00 C ATOM 1217 OG SER A 76 275.331 138.946 412.330 1.00 0.00 O ATOM 0 H SER A 76 275.286 138.055 414.359 1.00 0.00 H new ATOM 0 HA SER A 76 277.365 139.916 414.896 1.00 0.00 H new ATOM 0 HB2 SER A 76 276.974 140.197 412.332 1.00 0.00 H new ATOM 0 HB3 SER A 76 277.295 138.547 412.827 1.00 0.00 H new ATOM 0 HG SER A 76 275.470 138.694 411.393 1.00 0.00 H new ATOM 1223 N LYS A 77 275.499 141.584 415.762 1.00 0.00 N ATOM 1224 CA LYS A 77 274.940 142.872 416.148 1.00 0.00 C ATOM 1225 C LYS A 77 275.955 143.613 417.005 1.00 0.00 C ATOM 1226 O LYS A 77 276.181 144.803 416.810 1.00 0.00 O ATOM 1227 CB LYS A 77 273.533 142.746 416.802 1.00 0.00 C ATOM 1228 CG LYS A 77 273.427 141.804 418.016 1.00 0.00 C ATOM 1229 CD LYS A 77 271.970 141.608 418.466 1.00 0.00 C ATOM 1230 CE LYS A 77 271.825 140.740 419.725 1.00 0.00 C ATOM 1231 NZ LYS A 77 272.314 139.361 419.492 1.00 0.00 N1+ ATOM 0 H LYS A 77 275.678 140.989 416.571 1.00 0.00 H new ATOM 0 HA LYS A 77 274.757 143.467 415.254 1.00 0.00 H new ATOM 0 HB2 LYS A 77 273.209 143.740 417.111 1.00 0.00 H new ATOM 0 HB3 LYS A 77 272.831 142.404 416.041 1.00 0.00 H new ATOM 0 HG2 LYS A 77 273.862 140.837 417.764 1.00 0.00 H new ATOM 0 HG3 LYS A 77 274.010 142.210 418.842 1.00 0.00 H new ATOM 0 HD2 LYS A 77 271.523 142.584 418.655 1.00 0.00 H new ATOM 0 HD3 LYS A 77 271.406 141.151 417.653 1.00 0.00 H new ATOM 0 HE2 LYS A 77 272.383 141.191 420.546 1.00 0.00 H new ATOM 0 HE3 LYS A 77 270.779 140.710 420.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 271.909 138.724 420.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 272.026 139.046 418.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 273.352 139.344 419.562 1.00 0.00 H new ATOM 1245 N LEU A 78 276.615 142.908 417.962 1.00 0.00 N ATOM 1246 CA LEU A 78 277.664 143.450 418.816 1.00 0.00 C ATOM 1247 C LEU A 78 278.633 142.316 419.162 1.00 0.00 C ATOM 1248 O LEU A 78 279.186 142.230 420.252 1.00 0.00 O ATOM 1249 CB LEU A 78 277.067 144.148 420.080 1.00 0.00 C ATOM 1250 CG LEU A 78 278.035 145.039 420.900 1.00 0.00 C ATOM 1251 CD1 LEU A 78 278.616 146.201 420.074 1.00 0.00 C ATOM 1252 CD2 LEU A 78 277.331 145.578 422.157 1.00 0.00 C ATOM 0 H LEU A 78 276.415 141.926 418.152 1.00 0.00 H new ATOM 0 HA LEU A 78 278.214 144.230 418.290 1.00 0.00 H new ATOM 0 HB2 LEU A 78 276.223 144.762 419.764 1.00 0.00 H new ATOM 0 HB3 LEU A 78 276.671 143.377 420.741 1.00 0.00 H new ATOM 0 HG LEU A 78 278.873 144.408 421.195 1.00 0.00 H new ATOM 0 HD11 LEU A 78 279.287 146.792 420.698 1.00 0.00 H new ATOM 0 HD12 LEU A 78 279.169 145.802 419.224 1.00 0.00 H new ATOM 0 HD13 LEU A 78 277.804 146.833 419.714 1.00 0.00 H new ATOM 0 HD21 LEU A 78 278.023 146.202 422.722 1.00 0.00 H new ATOM 0 HD22 LEU A 78 276.465 146.171 421.863 1.00 0.00 H new ATOM 0 HD23 LEU A 78 277.005 144.743 422.778 1.00 0.00 H new ATOM 1264 N GLU A 79 278.861 141.380 418.210 1.00 0.00 N ATOM 1265 CA GLU A 79 279.733 140.223 418.390 1.00 0.00 C ATOM 1266 C GLU A 79 280.543 140.027 417.131 1.00 0.00 C ATOM 1267 O GLU A 79 281.752 140.229 417.090 1.00 0.00 O ATOM 1268 CB GLU A 79 278.914 138.934 418.692 1.00 0.00 C ATOM 1269 CG GLU A 79 279.753 137.705 419.098 1.00 0.00 C ATOM 1270 CD GLU A 79 278.818 136.537 419.408 1.00 0.00 C ATOM 1271 OE1 GLU A 79 278.833 135.541 418.636 1.00 0.00 O ATOM 1272 OE2 GLU A 79 278.074 136.627 420.422 1.00 0.00 O1- ATOM 0 H GLU A 79 278.432 141.420 417.286 1.00 0.00 H new ATOM 0 HA GLU A 79 280.388 140.407 419.242 1.00 0.00 H new ATOM 0 HB2 GLU A 79 278.206 139.151 419.492 1.00 0.00 H new ATOM 0 HB3 GLU A 79 278.329 138.679 417.809 1.00 0.00 H new ATOM 0 HG2 GLU A 79 280.437 137.435 418.293 1.00 0.00 H new ATOM 0 HG3 GLU A 79 280.364 137.939 419.970 1.00 0.00 H new ATOM 1279 N HIS A 80 279.866 139.603 416.040 1.00 0.00 N ATOM 1280 CA HIS A 80 280.472 139.342 414.749 1.00 0.00 C ATOM 1281 C HIS A 80 280.188 140.467 413.769 1.00 0.00 C ATOM 1282 O HIS A 80 279.430 140.286 412.820 1.00 0.00 O ATOM 1283 CB HIS A 80 280.070 137.935 414.233 1.00 0.00 C ATOM 1284 CG HIS A 80 280.875 137.477 413.050 1.00 0.00 C ATOM 1285 ND1 HIS A 80 280.392 137.410 411.762 1.00 0.00 N ATOM 1286 CD2 HIS A 80 282.193 137.155 412.970 1.00 0.00 C ATOM 1287 CE1 HIS A 80 281.429 137.050 410.971 1.00 0.00 C ATOM 1288 NE2 HIS A 80 282.541 136.895 411.660 1.00 0.00 N ATOM 0 H HIS A 80 278.860 139.434 416.051 1.00 0.00 H new ATOM 0 HA HIS A 80 281.556 139.324 414.859 1.00 0.00 H new ATOM 0 HB2 HIS A 80 280.185 137.214 415.042 1.00 0.00 H new ATOM 0 HB3 HIS A 80 279.014 137.944 413.962 1.00 0.00 H new ATOM 0 HD1 HIS A 80 279.435 137.596 411.462 1.00 0.00 H new ATOM 0 HD2 HIS A 80 282.870 137.109 413.810 1.00 0.00 H new ATOM 0 HE1 HIS A 80 281.354 136.907 409.903 1.00 0.00 H new TER 1296 HIS A 80