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 54 LYS NZ :NH3+ -120:sc=-0.00782 (180deg=0) USER MOD Set 1.2: A 55 LYS NZ :NH3+ -144:sc= 0 (180deg=0) USER MOD Set 2.1: A 47 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Set 2.2: A 48 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 34 TYR OH : rot -68:sc= 1.1 USER MOD Set 3.2: A 49 ASN : amide:sc= 0.849 X(o=2,f=2.1) USER MOD Single : A 0 MET CE :methyl -178:sc=-0.00428 (180deg=-0.00963) USER MOD Single : A 0 MET N :NH3+ 157:sc= 0.474 (180deg=-0.219) USER MOD Single : A 4 TYR OH : rot 61:sc= 0.604 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 120:sc= -0.217 USER MOD Single : A 14 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0334) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 HIS :FLIP no HD1:sc= -1.08 F(o=-3.1,f=-1.1) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 HIS :FLIP no HD1:sc= -0.269 F(o=-1.2,f=-0.27) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 180:sc= -0.833 USER MOD Single : A 33 SER OG : rot 43:sc= 1.72 USER MOD Single : A 44 SER OG : rot 180:sc= 0.00365 USER MOD Single : A 45 SER OG : rot -60:sc= -0.407 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 180:sc= 0.998 USER MOD Single : A 62 LYS NZ :NH3+ -179:sc= 0.783 (180deg=0.737) USER MOD Single : A 74 THR OG1 : rot -89:sc= 0.647 USER MOD Single : A 76 SER OG : rot 41:sc= 1.27 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 280.582 121.443 405.777 1.00 0.00 N ATOM 2 CA MET A 0 281.419 122.611 405.769 1.00 0.00 C ATOM 3 C MET A 0 282.876 122.177 405.772 1.00 0.00 C ATOM 4 O MET A 0 283.758 122.900 406.232 1.00 0.00 O ATOM 5 CB MET A 0 281.058 123.613 406.908 1.00 0.00 C ATOM 6 CG MET A 0 279.667 124.280 406.742 1.00 0.00 C ATOM 7 SD MET A 0 278.249 123.286 407.288 1.00 0.00 S ATOM 8 CE MET A 0 277.090 124.679 407.190 1.00 0.00 C ATOM 0 H1 MET A 0 279.646 121.689 406.158 1.00 0.00 H new ATOM 0 H2 MET A 0 280.477 121.085 404.806 1.00 0.00 H new ATOM 0 H3 MET A 0 281.016 120.709 406.372 1.00 0.00 H new ATOM 0 HA MET A 0 281.240 123.176 404.854 1.00 0.00 H new ATOM 0 HB2 MET A 0 281.087 123.088 407.863 1.00 0.00 H new ATOM 0 HB3 MET A 0 281.820 124.391 406.949 1.00 0.00 H new ATOM 0 HG2 MET A 0 279.665 125.218 407.297 1.00 0.00 H new ATOM 0 HG3 MET A 0 279.528 124.532 405.691 1.00 0.00 H new ATOM 0 HE1 MET A 0 276.102 124.354 407.517 1.00 0.00 H new ATOM 0 HE2 MET A 0 277.438 125.488 407.833 1.00 0.00 H new ATOM 0 HE3 MET A 0 277.033 125.033 406.161 1.00 0.00 H new ATOM 18 N GLY A 1 283.164 120.975 405.195 1.00 0.00 N ATOM 19 CA GLY A 1 284.492 120.357 405.040 1.00 0.00 C ATOM 20 C GLY A 1 285.393 120.960 403.979 1.00 0.00 C ATOM 21 O GLY A 1 286.608 120.809 404.018 1.00 0.00 O ATOM 0 H GLY A 1 282.426 120.387 404.807 1.00 0.00 H new ATOM 0 HA2 GLY A 1 285.008 120.410 405.998 1.00 0.00 H new ATOM 0 HA3 GLY A 1 284.353 119.300 404.811 1.00 0.00 H new ATOM 25 N ILE A 2 284.812 121.712 403.014 1.00 0.00 N ATOM 26 CA ILE A 2 285.525 122.503 402.014 1.00 0.00 C ATOM 27 C ILE A 2 284.996 123.919 402.184 1.00 0.00 C ATOM 28 O ILE A 2 283.820 124.115 402.498 1.00 0.00 O ATOM 29 CB ILE A 2 285.327 122.169 400.513 1.00 0.00 C ATOM 30 CG1 ILE A 2 284.997 120.688 400.162 1.00 0.00 C ATOM 31 CG2 ILE A 2 286.562 122.783 399.786 1.00 0.00 C ATOM 32 CD1 ILE A 2 285.928 120.031 399.136 1.00 0.00 C ATOM 0 H ILE A 2 283.799 121.779 402.917 1.00 0.00 H new ATOM 0 HA ILE A 2 286.582 122.312 402.202 1.00 0.00 H new ATOM 0 HB ILE A 2 284.401 122.616 400.151 1.00 0.00 H new ATOM 0 HG12 ILE A 2 285.024 120.100 401.080 1.00 0.00 H new ATOM 0 HG13 ILE A 2 283.976 120.641 399.783 1.00 0.00 H new ATOM 0 HG21 ILE A 2 286.490 122.585 398.717 1.00 0.00 H new ATOM 0 HG22 ILE A 2 286.586 123.860 399.955 1.00 0.00 H new ATOM 0 HG23 ILE A 2 287.475 122.334 400.177 1.00 0.00 H new ATOM 0 HD11 ILE A 2 285.611 119.003 398.963 1.00 0.00 H new ATOM 0 HD12 ILE A 2 285.886 120.586 398.199 1.00 0.00 H new ATOM 0 HD13 ILE A 2 286.950 120.037 399.516 1.00 0.00 H new ATOM 44 N ASP A 3 285.827 124.963 401.894 1.00 0.00 N ATOM 45 CA ASP A 3 285.360 126.333 402.003 1.00 0.00 C ATOM 46 C ASP A 3 284.717 126.930 400.793 1.00 0.00 C ATOM 47 O ASP A 3 285.139 127.958 400.280 1.00 0.00 O ATOM 48 CB ASP A 3 286.701 127.151 402.208 1.00 0.00 C ATOM 49 CG ASP A 3 287.712 127.048 401.023 1.00 0.00 C ATOM 50 OD1 ASP A 3 288.306 125.965 400.790 1.00 0.00 O ATOM 51 OD2 ASP A 3 287.829 128.068 400.298 1.00 0.00 O1- ATOM 0 H ASP A 3 286.796 124.863 401.592 1.00 0.00 H new ATOM 0 HA ASP A 3 284.598 126.362 402.782 1.00 0.00 H new ATOM 0 HB2 ASP A 3 286.451 128.200 402.365 1.00 0.00 H new ATOM 0 HB3 ASP A 3 287.190 126.800 403.117 1.00 0.00 H new ATOM 56 N TYR A 4 283.577 126.374 400.361 1.00 0.00 N ATOM 57 CA TYR A 4 282.539 126.977 399.571 1.00 0.00 C ATOM 58 C TYR A 4 281.560 127.887 400.267 1.00 0.00 C ATOM 59 O TYR A 4 281.473 129.083 400.015 1.00 0.00 O ATOM 60 CB TYR A 4 282.108 126.163 398.352 1.00 0.00 C ATOM 61 CG TYR A 4 283.264 125.435 397.806 1.00 0.00 C ATOM 62 CD1 TYR A 4 284.114 126.138 396.998 1.00 0.00 C ATOM 63 CD2 TYR A 4 283.491 124.098 398.044 1.00 0.00 C ATOM 64 CE1 TYR A 4 285.149 125.502 396.397 1.00 0.00 C ATOM 65 CE2 TYR A 4 284.613 123.505 397.504 1.00 0.00 C ATOM 66 CZ TYR A 4 285.475 124.206 396.699 1.00 0.00 C ATOM 67 OH TYR A 4 286.515 123.548 396.007 1.00 0.00 O ATOM 0 H TYR A 4 283.355 125.404 400.585 1.00 0.00 H new ATOM 0 HA TYR A 4 283.036 127.804 399.064 1.00 0.00 H new ATOM 0 HB2 TYR A 4 281.323 125.460 398.631 1.00 0.00 H new ATOM 0 HB3 TYR A 4 281.690 126.823 397.592 1.00 0.00 H new ATOM 0 HD1 TYR A 4 283.961 127.195 396.839 1.00 0.00 H new ATOM 0 HD2 TYR A 4 282.801 123.523 398.644 1.00 0.00 H new ATOM 0 HE1 TYR A 4 285.733 126.032 395.659 1.00 0.00 H new ATOM 0 HE2 TYR A 4 284.817 122.467 397.719 1.00 0.00 H new ATOM 0 HH TYR A 4 287.358 124.027 396.151 1.00 0.00 H new ATOM 77 N SER A 5 280.734 127.238 401.154 1.00 0.00 N ATOM 78 CA SER A 5 279.473 127.684 401.759 1.00 0.00 C ATOM 79 C SER A 5 279.464 128.999 402.532 1.00 0.00 C ATOM 80 O SER A 5 278.594 129.822 402.274 1.00 0.00 O ATOM 81 CB SER A 5 278.803 126.533 402.576 1.00 0.00 C ATOM 82 OG SER A 5 278.544 125.379 401.780 1.00 0.00 O ATOM 0 H SER A 5 280.977 126.303 401.481 1.00 0.00 H new ATOM 0 HA SER A 5 278.873 127.936 400.885 1.00 0.00 H new ATOM 0 HB2 SER A 5 279.450 126.258 403.409 1.00 0.00 H new ATOM 0 HB3 SER A 5 277.867 126.893 403.004 1.00 0.00 H new ATOM 0 HG SER A 5 278.127 124.686 402.334 1.00 0.00 H new ATOM 88 N GLY A 6 280.448 129.354 403.417 1.00 0.00 N ATOM 89 CA GLY A 6 280.602 130.702 403.972 1.00 0.00 C ATOM 90 C GLY A 6 280.989 131.769 402.974 1.00 0.00 C ATOM 91 O GLY A 6 280.578 132.913 403.061 1.00 0.00 O ATOM 0 H GLY A 6 281.150 128.696 403.755 1.00 0.00 H new ATOM 0 HA2 GLY A 6 279.664 130.992 404.444 1.00 0.00 H new ATOM 0 HA3 GLY A 6 281.358 130.670 404.757 1.00 0.00 H new ATOM 95 N LEU A 7 281.744 131.430 401.905 1.00 0.00 N ATOM 96 CA LEU A 7 282.167 132.354 400.854 1.00 0.00 C ATOM 97 C LEU A 7 280.978 132.651 399.925 1.00 0.00 C ATOM 98 O LEU A 7 280.718 133.809 399.604 1.00 0.00 O ATOM 99 CB LEU A 7 283.474 131.914 400.130 1.00 0.00 C ATOM 100 CG LEU A 7 284.688 131.642 401.080 1.00 0.00 C ATOM 101 CD1 LEU A 7 284.472 130.330 401.832 1.00 0.00 C ATOM 102 CD2 LEU A 7 286.024 131.402 400.393 1.00 0.00 C ATOM 0 H LEU A 7 282.080 130.479 401.755 1.00 0.00 H new ATOM 0 HA LEU A 7 282.460 133.299 401.312 1.00 0.00 H new ATOM 0 HB2 LEU A 7 283.269 131.010 399.557 1.00 0.00 H new ATOM 0 HB3 LEU A 7 283.755 132.687 399.415 1.00 0.00 H new ATOM 0 HG LEU A 7 284.730 132.546 401.687 1.00 0.00 H new ATOM 0 HD11 LEU A 7 285.320 130.145 402.492 1.00 0.00 H new ATOM 0 HD12 LEU A 7 283.559 130.396 402.424 1.00 0.00 H new ATOM 0 HD13 LEU A 7 284.383 129.512 401.118 1.00 0.00 H new ATOM 0 HD21 LEU A 7 286.793 131.225 401.145 1.00 0.00 H new ATOM 0 HD22 LEU A 7 285.947 130.532 399.741 1.00 0.00 H new ATOM 0 HD23 LEU A 7 286.291 132.277 399.801 1.00 0.00 H new ATOM 114 N ARG A 8 280.149 131.612 399.566 1.00 0.00 N ATOM 115 CA ARG A 8 278.860 131.800 398.876 1.00 0.00 C ATOM 116 C ARG A 8 277.755 132.440 399.682 1.00 0.00 C ATOM 117 O ARG A 8 277.011 133.275 399.171 1.00 0.00 O ATOM 118 CB ARG A 8 278.301 130.573 398.067 1.00 0.00 C ATOM 119 CG ARG A 8 279.086 129.250 398.184 1.00 0.00 C ATOM 120 CD ARG A 8 278.629 128.192 397.154 1.00 0.00 C ATOM 121 NE ARG A 8 279.391 126.863 397.226 1.00 0.00 N ATOM 122 CZ ARG A 8 278.830 125.803 397.886 1.00 0.00 C ATOM 123 NH1 ARG A 8 277.853 125.981 398.818 1.00 0.00 N1+ ATOM 124 NH2 ARG A 8 279.279 124.554 397.580 1.00 0.00 N ATOM 0 H ARG A 8 280.371 130.634 399.754 1.00 0.00 H new ATOM 0 HA ARG A 8 279.183 132.534 398.137 1.00 0.00 H new ATOM 0 HB2 ARG A 8 277.276 130.390 398.391 1.00 0.00 H new ATOM 0 HB3 ARG A 8 278.258 130.851 397.014 1.00 0.00 H new ATOM 0 HG2 ARG A 8 280.149 129.450 398.047 1.00 0.00 H new ATOM 0 HG3 ARG A 8 278.965 128.848 399.190 1.00 0.00 H new ATOM 0 HD2 ARG A 8 277.567 127.996 397.301 1.00 0.00 H new ATOM 0 HD3 ARG A 8 278.741 128.607 396.152 1.00 0.00 H new ATOM 0 HE ARG A 8 280.307 126.770 396.786 1.00 0.00 H new ATOM 0 HH11 ARG A 8 277.523 126.921 399.038 1.00 0.00 H new ATOM 0 HH12 ARG A 8 277.451 125.175 399.296 1.00 0.00 H new ATOM 0 HH21 ARG A 8 280.010 124.432 396.879 1.00 0.00 H new ATOM 0 HH22 ARG A 8 278.884 123.740 398.052 1.00 0.00 H new ATOM 138 N THR A 9 277.609 132.058 400.973 1.00 0.00 N ATOM 139 CA THR A 9 276.574 132.588 401.856 1.00 0.00 C ATOM 140 C THR A 9 276.881 133.923 402.508 1.00 0.00 C ATOM 141 O THR A 9 275.948 134.637 402.863 1.00 0.00 O ATOM 142 CB THR A 9 275.987 131.500 402.744 1.00 0.00 C ATOM 143 OG1 THR A 9 274.577 131.601 402.816 1.00 0.00 O ATOM 144 CG2 THR A 9 276.508 131.434 404.195 1.00 0.00 C ATOM 0 H THR A 9 278.214 131.370 401.421 1.00 0.00 H new ATOM 0 HA THR A 9 275.749 132.899 401.215 1.00 0.00 H new ATOM 0 HB THR A 9 276.321 130.590 402.245 1.00 0.00 H new ATOM 0 HG1 THR A 9 274.172 130.776 402.476 1.00 0.00 H new ATOM 0 HG21 THR A 9 276.013 130.619 404.723 1.00 0.00 H new ATOM 0 HG22 THR A 9 277.584 131.261 404.188 1.00 0.00 H new ATOM 0 HG23 THR A 9 276.295 132.376 404.701 1.00 0.00 H new ATOM 152 N ILE A 10 278.178 134.311 402.653 1.00 0.00 N ATOM 153 CA ILE A 10 278.579 135.644 403.096 1.00 0.00 C ATOM 154 C ILE A 10 278.908 136.549 401.865 1.00 0.00 C ATOM 155 O ILE A 10 278.587 137.738 401.923 1.00 0.00 O ATOM 156 CB ILE A 10 279.700 135.640 404.183 1.00 0.00 C ATOM 157 CG1 ILE A 10 279.318 134.976 405.555 1.00 0.00 C ATOM 158 CG2 ILE A 10 280.115 137.080 404.595 1.00 0.00 C ATOM 159 CD1 ILE A 10 279.574 133.481 405.790 1.00 0.00 C ATOM 0 H ILE A 10 278.966 133.693 402.461 1.00 0.00 H new ATOM 0 HA ILE A 10 277.725 136.083 403.612 1.00 0.00 H new ATOM 0 HB ILE A 10 280.483 135.069 403.684 1.00 0.00 H new ATOM 0 HG12 ILE A 10 279.849 135.521 406.336 1.00 0.00 H new ATOM 0 HG13 ILE A 10 278.253 135.150 405.712 1.00 0.00 H new ATOM 0 HG21 ILE A 10 280.897 137.031 405.353 1.00 0.00 H new ATOM 0 HG22 ILE A 10 280.489 137.615 403.722 1.00 0.00 H new ATOM 0 HG23 ILE A 10 279.250 137.606 405.000 1.00 0.00 H new ATOM 0 HD11 ILE A 10 279.245 133.209 406.793 1.00 0.00 H new ATOM 0 HD12 ILE A 10 279.020 132.897 405.055 1.00 0.00 H new ATOM 0 HD13 ILE A 10 280.639 133.274 405.689 1.00 0.00 H new ATOM 171 N PHE A 11 279.559 136.104 400.729 1.00 0.00 N ATOM 172 CA PHE A 11 280.014 137.055 399.687 1.00 0.00 C ATOM 173 C PHE A 11 279.190 137.021 398.409 1.00 0.00 C ATOM 174 O PHE A 11 279.041 138.033 397.722 1.00 0.00 O ATOM 175 CB PHE A 11 281.534 136.899 399.347 1.00 0.00 C ATOM 176 CG PHE A 11 282.348 136.787 400.619 1.00 0.00 C ATOM 177 CD1 PHE A 11 282.261 137.718 401.645 1.00 0.00 C ATOM 178 CD2 PHE A 11 283.156 135.686 400.814 1.00 0.00 C ATOM 179 CE1 PHE A 11 282.898 137.507 402.856 1.00 0.00 C ATOM 180 CE2 PHE A 11 283.800 135.481 402.012 1.00 0.00 C ATOM 181 CZ PHE A 11 283.661 136.377 403.047 1.00 0.00 C ATOM 0 H PHE A 11 279.766 135.125 400.532 1.00 0.00 H new ATOM 0 HA PHE A 11 279.857 138.033 400.141 1.00 0.00 H new ATOM 0 HB2 PHE A 11 281.687 136.013 398.730 1.00 0.00 H new ATOM 0 HB3 PHE A 11 281.873 137.755 398.764 1.00 0.00 H new ATOM 0 HD1 PHE A 11 281.687 138.621 401.496 1.00 0.00 H new ATOM 0 HD2 PHE A 11 283.285 134.973 400.013 1.00 0.00 H new ATOM 0 HE1 PHE A 11 282.796 138.230 403.652 1.00 0.00 H new ATOM 0 HE2 PHE A 11 284.421 134.607 402.142 1.00 0.00 H new ATOM 0 HZ PHE A 11 284.144 136.196 403.996 1.00 0.00 H new ATOM 191 N GLY A 12 278.608 135.842 398.080 1.00 0.00 N ATOM 192 CA GLY A 12 277.685 135.670 396.958 1.00 0.00 C ATOM 193 C GLY A 12 278.263 134.998 395.735 1.00 0.00 C ATOM 194 O GLY A 12 278.305 133.773 395.656 1.00 0.00 O ATOM 0 H GLY A 12 278.776 134.980 398.600 1.00 0.00 H new ATOM 0 HA2 GLY A 12 276.830 135.088 397.300 1.00 0.00 H new ATOM 0 HA3 GLY A 12 277.308 136.650 396.668 1.00 0.00 H new ATOM 198 N GLU A 13 278.699 135.782 394.716 1.00 0.00 N ATOM 199 CA GLU A 13 279.115 135.319 393.387 1.00 0.00 C ATOM 200 C GLU A 13 280.507 134.710 393.195 1.00 0.00 C ATOM 201 O GLU A 13 280.678 133.817 392.368 1.00 0.00 O ATOM 202 CB GLU A 13 278.868 136.444 392.340 1.00 0.00 C ATOM 203 CG GLU A 13 279.674 137.739 392.566 1.00 0.00 C ATOM 204 CD GLU A 13 279.288 138.771 391.508 1.00 0.00 C ATOM 205 OE1 GLU A 13 278.735 139.837 391.891 1.00 0.00 O ATOM 206 OE2 GLU A 13 279.545 138.508 390.302 1.00 0.00 O1- ATOM 0 H GLU A 13 278.769 136.795 394.812 1.00 0.00 H new ATOM 0 HA GLU A 13 278.479 134.446 393.240 1.00 0.00 H new ATOM 0 HB2 GLU A 13 279.105 136.055 391.350 1.00 0.00 H new ATOM 0 HB3 GLU A 13 277.806 136.691 392.339 1.00 0.00 H new ATOM 0 HG2 GLU A 13 279.477 138.133 393.563 1.00 0.00 H new ATOM 0 HG3 GLU A 13 280.742 137.529 392.512 1.00 0.00 H new ATOM 213 N LYS A 14 281.544 135.170 393.933 1.00 0.00 N ATOM 214 CA LYS A 14 282.903 134.661 393.822 1.00 0.00 C ATOM 215 C LYS A 14 283.500 134.680 395.213 1.00 0.00 C ATOM 216 O LYS A 14 283.013 135.361 396.113 1.00 0.00 O ATOM 217 CB LYS A 14 283.759 135.500 392.812 1.00 0.00 C ATOM 218 CG LYS A 14 285.191 135.000 392.514 1.00 0.00 C ATOM 219 CD LYS A 14 285.931 135.787 391.411 1.00 0.00 C ATOM 220 CE LYS A 14 286.133 137.275 391.733 1.00 0.00 C ATOM 221 NZ LYS A 14 286.882 137.957 390.651 1.00 0.00 N1+ ATOM 0 H LYS A 14 281.445 135.913 394.625 1.00 0.00 H new ATOM 0 HA LYS A 14 282.895 133.646 393.425 1.00 0.00 H new ATOM 0 HB2 LYS A 14 283.215 135.550 391.869 1.00 0.00 H new ATOM 0 HB3 LYS A 14 283.829 136.519 393.194 1.00 0.00 H new ATOM 0 HG2 LYS A 14 285.777 135.049 393.432 1.00 0.00 H new ATOM 0 HG3 LYS A 14 285.142 133.951 392.223 1.00 0.00 H new ATOM 0 HD2 LYS A 14 286.905 135.327 391.242 1.00 0.00 H new ATOM 0 HD3 LYS A 14 285.371 135.700 390.480 1.00 0.00 H new ATOM 0 HE2 LYS A 14 285.164 137.756 391.868 1.00 0.00 H new ATOM 0 HE3 LYS A 14 286.674 137.377 392.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 287.108 138.929 390.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 287.763 137.439 390.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 286.301 137.982 389.789 1.00 0.00 H new ATOM 235 N LEU A 15 284.605 133.924 395.407 1.00 0.00 N ATOM 236 CA LEU A 15 285.379 133.810 396.624 1.00 0.00 C ATOM 237 C LEU A 15 286.404 134.958 396.791 1.00 0.00 C ATOM 238 O LEU A 15 286.940 135.429 395.788 1.00 0.00 O ATOM 239 CB LEU A 15 286.224 132.507 396.569 1.00 0.00 C ATOM 240 CG LEU A 15 285.527 131.202 396.953 1.00 0.00 C ATOM 241 CD1 LEU A 15 284.804 130.508 395.809 1.00 0.00 C ATOM 242 CD2 LEU A 15 286.601 130.246 397.461 1.00 0.00 C ATOM 0 H LEU A 15 284.989 133.348 394.658 1.00 0.00 H new ATOM 0 HA LEU A 15 284.662 133.829 397.445 1.00 0.00 H new ATOM 0 HB2 LEU A 15 286.610 132.398 395.555 1.00 0.00 H new ATOM 0 HB3 LEU A 15 287.085 132.635 397.225 1.00 0.00 H new ATOM 0 HG LEU A 15 284.769 131.456 397.694 1.00 0.00 H new ATOM 0 HD11 LEU A 15 284.340 129.592 396.174 1.00 0.00 H new ATOM 0 HD12 LEU A 15 284.036 131.170 395.409 1.00 0.00 H new ATOM 0 HD13 LEU A 15 285.518 130.264 395.022 1.00 0.00 H new ATOM 0 HD21 LEU A 15 286.141 129.300 397.746 1.00 0.00 H new ATOM 0 HD22 LEU A 15 287.334 130.070 396.673 1.00 0.00 H new ATOM 0 HD23 LEU A 15 287.097 130.683 398.327 1.00 0.00 H new ATOM 254 N PRO A 16 286.753 135.394 398.007 1.00 0.00 N ATOM 255 CA PRO A 16 287.772 136.399 398.289 1.00 0.00 C ATOM 256 C PRO A 16 289.227 135.945 398.148 1.00 0.00 C ATOM 257 O PRO A 16 289.557 134.795 397.858 1.00 0.00 O ATOM 258 CB PRO A 16 287.527 136.690 399.780 1.00 0.00 C ATOM 259 CG PRO A 16 287.053 135.343 400.328 1.00 0.00 C ATOM 260 CD PRO A 16 286.090 134.977 399.228 1.00 0.00 C ATOM 0 HA PRO A 16 287.676 137.223 397.582 1.00 0.00 H new ATOM 0 HB2 PRO A 16 288.435 137.030 400.278 1.00 0.00 H new ATOM 0 HB3 PRO A 16 286.776 137.468 399.920 1.00 0.00 H new ATOM 0 HG2 PRO A 16 287.864 134.622 400.437 1.00 0.00 H new ATOM 0 HG3 PRO A 16 286.570 135.429 401.301 1.00 0.00 H new ATOM 0 HD2 PRO A 16 285.884 133.907 399.221 1.00 0.00 H new ATOM 0 HD3 PRO A 16 285.134 135.485 399.353 1.00 0.00 H new ATOM 268 N GLU A 17 290.098 136.932 398.450 1.00 0.00 N ATOM 269 CA GLU A 17 291.533 136.895 398.476 1.00 0.00 C ATOM 270 C GLU A 17 292.013 136.606 399.896 1.00 0.00 C ATOM 271 O GLU A 17 291.278 136.733 400.885 1.00 0.00 O ATOM 272 CB GLU A 17 292.057 138.282 398.014 1.00 0.00 C ATOM 273 CG GLU A 17 291.487 138.796 396.671 1.00 0.00 C ATOM 274 CD GLU A 17 291.461 137.705 395.603 1.00 0.00 C ATOM 275 OE1 GLU A 17 290.351 137.379 395.103 1.00 0.00 O ATOM 276 OE2 GLU A 17 292.563 137.192 395.267 1.00 0.00 O1- ATOM 0 H GLU A 17 289.754 137.858 398.704 1.00 0.00 H new ATOM 0 HA GLU A 17 291.906 136.112 397.816 1.00 0.00 H new ATOM 0 HB2 GLU A 17 291.829 139.014 398.789 1.00 0.00 H new ATOM 0 HB3 GLU A 17 293.143 138.232 397.932 1.00 0.00 H new ATOM 0 HG2 GLU A 17 290.477 139.174 396.827 1.00 0.00 H new ATOM 0 HG3 GLU A 17 292.089 139.633 396.319 1.00 0.00 H new ATOM 283 N SER A 18 293.302 136.230 400.051 1.00 0.00 N ATOM 284 CA SER A 18 293.935 135.812 401.296 1.00 0.00 C ATOM 285 C SER A 18 293.941 136.735 402.508 1.00 0.00 C ATOM 286 O SER A 18 293.966 136.223 403.624 1.00 0.00 O ATOM 287 CB SER A 18 295.348 135.224 401.071 1.00 0.00 C ATOM 288 OG SER A 18 296.235 136.126 400.398 1.00 0.00 O ATOM 0 H SER A 18 293.951 136.213 399.264 1.00 0.00 H new ATOM 0 HA SER A 18 293.217 135.050 401.599 1.00 0.00 H new ATOM 0 HB2 SER A 18 295.779 134.952 402.035 1.00 0.00 H new ATOM 0 HB3 SER A 18 295.264 134.306 400.489 1.00 0.00 H new ATOM 0 HG SER A 18 297.111 135.701 400.286 1.00 0.00 H new ATOM 294 N HIS A 19 293.867 138.095 402.341 1.00 0.00 N ATOM 295 CA HIS A 19 293.784 139.107 403.415 1.00 0.00 C ATOM 296 C HIS A 19 292.577 138.919 404.348 1.00 0.00 C ATOM 297 O HIS A 19 292.728 138.863 405.563 1.00 0.00 O ATOM 298 CB HIS A 19 293.819 140.579 402.864 1.00 0.00 C ATOM 299 CG HIS A 19 292.711 140.975 401.899 1.00 0.00 C ATOM 300 ND1 HIS A 19 291.991 140.207 401.041 1.00 0.00 N flip ATOM 301 CD2 HIS A 19 292.239 142.262 401.714 1.00 0.00 C flip ATOM 302 CE1 HIS A 19 291.077 140.965 400.345 1.00 0.00 C flip ATOM 303 NE2 HIS A 19 291.253 142.186 400.779 1.00 0.00 N flip ATOM 0 H HIS A 19 293.864 138.518 401.413 1.00 0.00 H new ATOM 0 HA HIS A 19 294.681 138.943 404.012 1.00 0.00 H new ATOM 0 HB2 HIS A 19 293.790 141.261 403.714 1.00 0.00 H new ATOM 0 HB3 HIS A 19 294.776 140.733 402.365 1.00 0.00 H new ATOM 0 HD2 HIS A 19 292.586 143.154 402.214 1.00 0.00 H new ATOM 0 HE1 HIS A 19 290.369 140.626 399.603 1.00 0.00 H new ATOM 0 HE2 HIS A 19 290.714 142.989 400.454 1.00 0.00 H new ATOM 311 N ILE A 20 291.358 138.711 403.770 1.00 0.00 N ATOM 312 CA ILE A 20 290.174 138.204 404.473 1.00 0.00 C ATOM 313 C ILE A 20 290.190 136.704 404.664 1.00 0.00 C ATOM 314 O ILE A 20 289.766 136.177 405.693 1.00 0.00 O ATOM 315 CB ILE A 20 288.803 138.691 403.928 1.00 0.00 C ATOM 316 CG1 ILE A 20 287.928 137.594 403.240 1.00 0.00 C ATOM 317 CG2 ILE A 20 289.020 139.903 402.995 1.00 0.00 C ATOM 318 CD1 ILE A 20 286.645 138.088 402.581 1.00 0.00 C ATOM 0 H ILE A 20 291.183 138.899 402.783 1.00 0.00 H new ATOM 0 HA ILE A 20 290.265 138.669 405.455 1.00 0.00 H new ATOM 0 HB ILE A 20 288.220 138.982 404.802 1.00 0.00 H new ATOM 0 HG12 ILE A 20 288.533 137.094 402.484 1.00 0.00 H new ATOM 0 HG13 ILE A 20 287.666 136.844 403.986 1.00 0.00 H new ATOM 0 HG21 ILE A 20 288.058 140.245 402.613 1.00 0.00 H new ATOM 0 HG22 ILE A 20 289.497 140.710 403.552 1.00 0.00 H new ATOM 0 HG23 ILE A 20 289.659 139.611 402.161 1.00 0.00 H new ATOM 0 HD11 ILE A 20 286.117 137.245 402.136 1.00 0.00 H new ATOM 0 HD12 ILE A 20 286.009 138.560 403.330 1.00 0.00 H new ATOM 0 HD13 ILE A 20 286.890 138.813 401.805 1.00 0.00 H new ATOM 330 N PHE A 21 290.603 135.933 403.617 1.00 0.00 N ATOM 331 CA PHE A 21 290.376 134.500 403.583 1.00 0.00 C ATOM 332 C PHE A 21 291.214 133.673 404.578 1.00 0.00 C ATOM 333 O PHE A 21 290.652 132.820 405.268 1.00 0.00 O ATOM 334 CB PHE A 21 290.121 134.148 402.085 1.00 0.00 C ATOM 335 CG PHE A 21 289.751 132.787 401.645 1.00 0.00 C ATOM 336 CD1 PHE A 21 290.076 132.424 400.355 1.00 0.00 C ATOM 337 CD2 PHE A 21 289.096 131.887 402.446 1.00 0.00 C ATOM 338 CE1 PHE A 21 290.188 131.081 400.086 1.00 0.00 C ATOM 339 CE2 PHE A 21 288.994 130.570 402.072 1.00 0.00 C ATOM 340 CZ PHE A 21 289.672 130.150 400.957 1.00 0.00 C ATOM 0 H PHE A 21 291.091 136.300 402.800 1.00 0.00 H new ATOM 0 HA PHE A 21 289.477 134.123 404.071 1.00 0.00 H new ATOM 0 HB2 PHE A 21 289.332 134.814 401.737 1.00 0.00 H new ATOM 0 HB3 PHE A 21 291.027 134.417 401.542 1.00 0.00 H new ATOM 0 HD1 PHE A 21 290.236 133.166 399.587 1.00 0.00 H new ATOM 0 HD2 PHE A 21 288.658 132.216 403.377 1.00 0.00 H new ATOM 0 HE1 PHE A 21 290.685 130.754 399.184 1.00 0.00 H new ATOM 0 HE2 PHE A 21 288.392 129.879 402.644 1.00 0.00 H new ATOM 0 HZ PHE A 21 289.800 129.095 400.764 1.00 0.00 H new ATOM 350 N PHE A 22 292.549 133.952 404.770 1.00 0.00 N ATOM 351 CA PHE A 22 293.363 133.349 405.855 1.00 0.00 C ATOM 352 C PHE A 22 293.042 134.004 407.238 1.00 0.00 C ATOM 353 O PHE A 22 293.341 133.387 408.252 1.00 0.00 O ATOM 354 CB PHE A 22 294.963 133.223 405.707 1.00 0.00 C ATOM 355 CG PHE A 22 295.562 132.161 404.748 1.00 0.00 C ATOM 356 CD1 PHE A 22 296.197 132.599 403.598 1.00 0.00 C ATOM 357 CD2 PHE A 22 295.698 130.783 404.993 1.00 0.00 C ATOM 358 CE1 PHE A 22 296.627 131.732 402.607 1.00 0.00 C ATOM 359 CE2 PHE A 22 296.035 129.906 403.984 1.00 0.00 C ATOM 360 CZ PHE A 22 296.414 130.375 402.754 1.00 0.00 C ATOM 0 H PHE A 22 293.073 134.595 404.177 1.00 0.00 H new ATOM 0 HA PHE A 22 293.032 132.314 405.769 1.00 0.00 H new ATOM 0 HB2 PHE A 22 295.339 134.196 405.392 1.00 0.00 H new ATOM 0 HB3 PHE A 22 295.368 133.031 406.700 1.00 0.00 H new ATOM 0 HD1 PHE A 22 296.364 133.658 403.469 1.00 0.00 H new ATOM 0 HD2 PHE A 22 295.535 130.404 405.991 1.00 0.00 H new ATOM 0 HE1 PHE A 22 297.124 132.113 401.727 1.00 0.00 H new ATOM 0 HE2 PHE A 22 296.000 128.842 404.165 1.00 0.00 H new ATOM 0 HZ PHE A 22 296.543 129.701 401.920 1.00 0.00 H new ATOM 370 N ALA A 23 292.478 135.261 407.342 1.00 0.00 N ATOM 371 CA ALA A 23 292.273 135.919 408.643 1.00 0.00 C ATOM 372 C ALA A 23 290.854 136.189 409.181 1.00 0.00 C ATOM 373 O ALA A 23 290.692 136.351 410.388 1.00 0.00 O ATOM 374 CB ALA A 23 293.047 137.259 408.623 1.00 0.00 C ATOM 0 H ALA A 23 292.170 135.812 406.541 1.00 0.00 H new ATOM 0 HA ALA A 23 292.631 135.162 409.341 1.00 0.00 H new ATOM 0 HB1 ALA A 23 292.914 137.771 409.576 1.00 0.00 H new ATOM 0 HB2 ALA A 23 294.107 137.064 408.461 1.00 0.00 H new ATOM 0 HB3 ALA A 23 292.666 137.887 407.818 1.00 0.00 H new ATOM 380 N THR A 24 289.783 136.250 408.346 1.00 0.00 N ATOM 381 CA THR A 24 288.413 136.623 408.756 1.00 0.00 C ATOM 382 C THR A 24 287.526 135.390 408.786 1.00 0.00 C ATOM 383 O THR A 24 287.347 134.726 407.763 1.00 0.00 O ATOM 384 CB THR A 24 287.772 137.671 407.811 1.00 0.00 C ATOM 385 OG1 THR A 24 288.477 138.907 407.844 1.00 0.00 O ATOM 386 CG2 THR A 24 286.297 138.005 408.136 1.00 0.00 C ATOM 0 H THR A 24 289.855 136.036 407.351 1.00 0.00 H new ATOM 0 HA THR A 24 288.494 137.067 409.748 1.00 0.00 H new ATOM 0 HB THR A 24 287.824 137.197 406.831 1.00 0.00 H new ATOM 0 HG1 THR A 24 288.048 139.545 407.236 1.00 0.00 H new ATOM 0 HG21 THR A 24 285.927 138.746 407.427 1.00 0.00 H new ATOM 0 HG22 THR A 24 285.694 137.100 408.063 1.00 0.00 H new ATOM 0 HG23 THR A 24 286.229 138.405 409.148 1.00 0.00 H new ATOM 394 N VAL A 25 286.882 135.064 409.962 1.00 0.00 N ATOM 395 CA VAL A 25 285.993 133.913 410.298 1.00 0.00 C ATOM 396 C VAL A 25 284.901 133.594 409.276 1.00 0.00 C ATOM 397 O VAL A 25 284.553 132.438 409.060 1.00 0.00 O ATOM 398 CB VAL A 25 285.315 133.968 411.692 1.00 0.00 C ATOM 399 CG1 VAL A 25 285.001 132.536 412.196 1.00 0.00 C ATOM 400 CG2 VAL A 25 286.183 134.696 412.744 1.00 0.00 C ATOM 0 H VAL A 25 286.991 135.671 410.775 1.00 0.00 H new ATOM 0 HA VAL A 25 286.735 133.114 410.291 1.00 0.00 H new ATOM 0 HB VAL A 25 284.392 134.534 411.568 1.00 0.00 H new ATOM 0 HG11 VAL A 25 284.526 132.591 413.175 1.00 0.00 H new ATOM 0 HG12 VAL A 25 284.329 132.042 411.494 1.00 0.00 H new ATOM 0 HG13 VAL A 25 285.927 131.966 412.274 1.00 0.00 H new ATOM 0 HG21 VAL A 25 285.662 134.706 413.701 1.00 0.00 H new ATOM 0 HG22 VAL A 25 287.134 134.175 412.854 1.00 0.00 H new ATOM 0 HG23 VAL A 25 286.365 135.720 412.419 1.00 0.00 H new ATOM 410 N ALA A 26 284.427 134.649 408.537 1.00 0.00 N ATOM 411 CA ALA A 26 283.496 134.662 407.416 1.00 0.00 C ATOM 412 C ALA A 26 283.857 133.647 406.334 1.00 0.00 C ATOM 413 O ALA A 26 283.001 132.888 405.897 1.00 0.00 O ATOM 414 CB ALA A 26 283.458 136.084 406.806 1.00 0.00 C ATOM 0 H ALA A 26 284.735 135.597 408.755 1.00 0.00 H new ATOM 0 HA ALA A 26 282.516 134.380 407.800 1.00 0.00 H new ATOM 0 HB1 ALA A 26 282.763 136.101 405.966 1.00 0.00 H new ATOM 0 HB2 ALA A 26 283.130 136.796 407.563 1.00 0.00 H new ATOM 0 HB3 ALA A 26 284.454 136.357 406.458 1.00 0.00 H new ATOM 420 N ALA A 27 285.157 133.533 405.962 1.00 0.00 N ATOM 421 CA ALA A 27 285.601 132.422 405.139 1.00 0.00 C ATOM 422 C ALA A 27 286.462 131.442 405.924 1.00 0.00 C ATOM 423 O ALA A 27 286.326 130.235 405.767 1.00 0.00 O ATOM 424 CB ALA A 27 286.359 132.930 403.919 1.00 0.00 C ATOM 0 H ALA A 27 285.890 134.193 406.222 1.00 0.00 H new ATOM 0 HA ALA A 27 284.711 131.887 404.808 1.00 0.00 H new ATOM 0 HB1 ALA A 27 286.684 132.083 403.314 1.00 0.00 H new ATOM 0 HB2 ALA A 27 285.706 133.571 403.326 1.00 0.00 H new ATOM 0 HB3 ALA A 27 287.230 133.500 404.243 1.00 0.00 H new ATOM 430 N HIS A 28 287.356 131.952 406.823 1.00 0.00 N ATOM 431 CA HIS A 28 288.331 131.237 407.671 1.00 0.00 C ATOM 432 C HIS A 28 287.813 130.121 408.587 1.00 0.00 C ATOM 433 O HIS A 28 288.587 129.267 409.004 1.00 0.00 O ATOM 434 CB HIS A 28 289.191 132.247 408.485 1.00 0.00 C ATOM 435 CG HIS A 28 290.306 131.727 409.366 1.00 0.00 C ATOM 436 ND1 HIS A 28 291.031 130.572 409.353 1.00 0.00 N flip ATOM 437 CD2 HIS A 28 290.792 132.459 410.428 1.00 0.00 C flip ATOM 438 CE1 HIS A 28 291.947 130.568 410.389 1.00 0.00 C flip ATOM 439 NE2 HIS A 28 291.773 131.721 411.000 1.00 0.00 N flip ATOM 0 H HIS A 28 287.409 132.959 406.978 1.00 0.00 H new ATOM 0 HA HIS A 28 288.928 130.693 406.939 1.00 0.00 H new ATOM 0 HB2 HIS A 28 289.633 132.947 407.776 1.00 0.00 H new ATOM 0 HB3 HIS A 28 288.513 132.819 409.118 1.00 0.00 H new ATOM 0 HD2 HIS A 28 290.455 133.435 410.744 1.00 0.00 H new ATOM 0 HE1 HIS A 28 292.651 129.789 410.642 1.00 0.00 H new ATOM 0 HE2 HIS A 28 292.314 132.023 411.810 1.00 0.00 H new ATOM 447 N LYS A 29 286.479 130.060 408.899 1.00 0.00 N ATOM 448 CA LYS A 29 285.806 129.006 409.680 1.00 0.00 C ATOM 449 C LYS A 29 285.774 127.626 409.004 1.00 0.00 C ATOM 450 O LYS A 29 285.523 126.615 409.646 1.00 0.00 O ATOM 451 CB LYS A 29 284.341 129.433 410.066 1.00 0.00 C ATOM 452 CG LYS A 29 283.274 129.345 408.940 1.00 0.00 C ATOM 453 CD LYS A 29 282.113 130.366 408.873 1.00 0.00 C ATOM 454 CE LYS A 29 281.648 131.011 410.186 1.00 0.00 C ATOM 455 NZ LYS A 29 281.186 129.995 411.161 1.00 0.00 N1+ ATOM 0 H LYS A 29 285.828 130.783 408.592 1.00 0.00 H new ATOM 0 HA LYS A 29 286.418 128.897 410.575 1.00 0.00 H new ATOM 0 HB2 LYS A 29 284.012 128.810 410.897 1.00 0.00 H new ATOM 0 HB3 LYS A 29 284.370 130.460 410.429 1.00 0.00 H new ATOM 0 HG2 LYS A 29 283.805 129.399 407.990 1.00 0.00 H new ATOM 0 HG3 LYS A 29 282.826 128.353 408.999 1.00 0.00 H new ATOM 0 HD2 LYS A 29 282.409 131.166 408.194 1.00 0.00 H new ATOM 0 HD3 LYS A 29 281.255 129.867 408.423 1.00 0.00 H new ATOM 0 HE2 LYS A 29 282.467 131.586 410.619 1.00 0.00 H new ATOM 0 HE3 LYS A 29 280.840 131.713 409.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 280.880 130.467 412.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 280.389 129.463 410.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 281.965 129.340 411.376 1.00 0.00 H new ATOM 469 N TYR A 30 286.003 127.607 407.662 1.00 0.00 N ATOM 470 CA TYR A 30 285.979 126.499 406.724 1.00 0.00 C ATOM 471 C TYR A 30 287.343 125.866 406.424 1.00 0.00 C ATOM 472 O TYR A 30 287.674 124.770 406.860 1.00 0.00 O ATOM 473 CB TYR A 30 285.458 127.091 405.394 1.00 0.00 C ATOM 474 CG TYR A 30 283.977 127.151 405.381 1.00 0.00 C ATOM 475 CD1 TYR A 30 283.275 126.067 404.910 1.00 0.00 C ATOM 476 CD2 TYR A 30 283.299 128.286 405.756 1.00 0.00 C ATOM 477 CE1 TYR A 30 281.911 126.126 404.761 1.00 0.00 C ATOM 478 CE2 TYR A 30 281.927 128.242 405.868 1.00 0.00 C ATOM 479 CZ TYR A 30 281.239 127.154 405.382 1.00 0.00 C ATOM 480 OH TYR A 30 279.839 127.144 405.444 1.00 0.00 O ATOM 0 H TYR A 30 286.233 128.475 407.179 1.00 0.00 H new ATOM 0 HA TYR A 30 285.368 125.711 407.164 1.00 0.00 H new ATOM 0 HB2 TYR A 30 285.867 128.091 405.253 1.00 0.00 H new ATOM 0 HB3 TYR A 30 285.808 126.483 404.560 1.00 0.00 H new ATOM 0 HD1 TYR A 30 283.802 125.159 404.654 1.00 0.00 H new ATOM 0 HD2 TYR A 30 283.835 129.201 405.960 1.00 0.00 H new ATOM 0 HE1 TYR A 30 281.382 125.389 404.175 1.00 0.00 H new ATOM 0 HE2 TYR A 30 281.394 129.057 406.335 1.00 0.00 H new ATOM 0 HH TYR A 30 279.527 127.943 405.918 1.00 0.00 H new ATOM 490 N VAL A 31 288.139 126.584 405.597 1.00 0.00 N ATOM 491 CA VAL A 31 289.486 126.312 405.108 1.00 0.00 C ATOM 492 C VAL A 31 290.000 127.711 404.957 1.00 0.00 C ATOM 493 O VAL A 31 289.207 128.521 404.478 1.00 0.00 O ATOM 494 CB VAL A 31 289.586 125.761 403.671 1.00 0.00 C ATOM 495 CG1 VAL A 31 291.011 125.785 403.074 1.00 0.00 C ATOM 496 CG2 VAL A 31 288.952 124.368 403.597 1.00 0.00 C ATOM 0 H VAL A 31 287.800 127.469 405.220 1.00 0.00 H new ATOM 0 HA VAL A 31 289.972 125.592 405.766 1.00 0.00 H new ATOM 0 HB VAL A 31 289.021 126.444 403.037 1.00 0.00 H new ATOM 0 HG11 VAL A 31 290.988 125.380 402.062 1.00 0.00 H new ATOM 0 HG12 VAL A 31 291.376 126.812 403.046 1.00 0.00 H new ATOM 0 HG13 VAL A 31 291.675 125.180 403.692 1.00 0.00 H new ATOM 0 HG21 VAL A 31 289.028 123.987 402.578 1.00 0.00 H new ATOM 0 HG22 VAL A 31 289.474 123.694 404.276 1.00 0.00 H new ATOM 0 HG23 VAL A 31 287.902 124.430 403.884 1.00 0.00 H new ATOM 506 N PRO A 32 291.217 128.098 405.275 1.00 0.00 N ATOM 507 CA PRO A 32 291.582 129.484 405.106 1.00 0.00 C ATOM 508 C PRO A 32 292.007 129.936 403.696 1.00 0.00 C ATOM 509 O PRO A 32 291.643 131.044 403.356 1.00 0.00 O ATOM 510 CB PRO A 32 292.764 129.574 406.087 1.00 0.00 C ATOM 511 CG PRO A 32 293.402 128.177 406.173 1.00 0.00 C ATOM 512 CD PRO A 32 292.193 127.275 405.997 1.00 0.00 C ATOM 0 HA PRO A 32 290.729 130.140 405.279 1.00 0.00 H new ATOM 0 HB2 PRO A 32 293.493 130.308 405.743 1.00 0.00 H new ATOM 0 HB3 PRO A 32 292.423 129.901 407.069 1.00 0.00 H new ATOM 0 HG2 PRO A 32 294.148 128.019 405.394 1.00 0.00 H new ATOM 0 HG3 PRO A 32 293.900 128.012 407.129 1.00 0.00 H new ATOM 0 HD2 PRO A 32 292.447 126.377 405.434 1.00 0.00 H new ATOM 0 HD3 PRO A 32 291.800 126.947 406.959 1.00 0.00 H new ATOM 520 N SER A 33 292.746 129.191 402.842 1.00 0.00 N ATOM 521 CA SER A 33 293.195 129.753 401.561 1.00 0.00 C ATOM 522 C SER A 33 293.966 128.689 400.774 1.00 0.00 C ATOM 523 O SER A 33 294.057 127.519 401.185 1.00 0.00 O ATOM 524 CB SER A 33 293.732 131.248 401.502 1.00 0.00 C ATOM 525 OG SER A 33 292.910 132.129 400.759 1.00 0.00 O ATOM 0 H SER A 33 293.034 128.228 403.015 1.00 0.00 H new ATOM 0 HA SER A 33 292.282 129.986 401.014 1.00 0.00 H new ATOM 0 HB2 SER A 33 293.828 131.629 402.519 1.00 0.00 H new ATOM 0 HB3 SER A 33 294.731 131.247 401.067 1.00 0.00 H new ATOM 0 HG SER A 33 291.969 131.960 400.976 1.00 0.00 H new ATOM 531 N TYR A 34 294.501 129.056 399.560 1.00 0.00 N ATOM 532 CA TYR A 34 295.204 128.321 398.475 1.00 0.00 C ATOM 533 C TYR A 34 296.294 127.322 398.876 1.00 0.00 C ATOM 534 O TYR A 34 296.624 126.388 398.149 1.00 0.00 O ATOM 535 CB TYR A 34 295.746 129.320 397.403 1.00 0.00 C ATOM 536 CG TYR A 34 294.804 130.482 397.163 1.00 0.00 C ATOM 537 CD1 TYR A 34 293.813 130.473 396.180 1.00 0.00 C ATOM 538 CD2 TYR A 34 294.974 131.618 397.934 1.00 0.00 C ATOM 539 CE1 TYR A 34 293.038 131.602 395.931 1.00 0.00 C ATOM 540 CE2 TYR A 34 294.202 132.731 397.709 1.00 0.00 C ATOM 541 CZ TYR A 34 293.281 132.729 396.697 1.00 0.00 C ATOM 542 OH TYR A 34 292.794 133.975 396.296 1.00 0.00 O ATOM 0 H TYR A 34 294.429 130.037 399.291 1.00 0.00 H new ATOM 0 HA TYR A 34 294.423 127.679 398.068 1.00 0.00 H new ATOM 0 HB2 TYR A 34 296.715 129.702 397.725 1.00 0.00 H new ATOM 0 HB3 TYR A 34 295.908 128.789 396.465 1.00 0.00 H new ATOM 0 HD1 TYR A 34 293.645 129.575 395.603 1.00 0.00 H new ATOM 0 HD2 TYR A 34 295.718 131.629 398.717 1.00 0.00 H new ATOM 0 HE1 TYR A 34 292.274 131.599 395.167 1.00 0.00 H new ATOM 0 HE2 TYR A 34 294.322 133.607 398.330 1.00 0.00 H new ATOM 0 HH TYR A 34 293.257 134.260 395.481 1.00 0.00 H new ATOM 552 N ALA A 35 296.804 127.490 400.115 1.00 0.00 N ATOM 553 CA ALA A 35 297.740 126.664 400.844 1.00 0.00 C ATOM 554 C ALA A 35 297.176 125.350 401.320 1.00 0.00 C ATOM 555 O ALA A 35 297.733 124.295 401.046 1.00 0.00 O ATOM 556 CB ALA A 35 298.166 127.460 402.114 1.00 0.00 C ATOM 0 H ALA A 35 296.529 128.299 400.672 1.00 0.00 H new ATOM 0 HA ALA A 35 298.557 126.434 400.160 1.00 0.00 H new ATOM 0 HB1 ALA A 35 298.875 126.868 402.693 1.00 0.00 H new ATOM 0 HB2 ALA A 35 298.635 128.398 401.815 1.00 0.00 H new ATOM 0 HB3 ALA A 35 297.287 127.671 402.723 1.00 0.00 H new ATOM 562 N PHE A 36 295.986 125.391 401.986 1.00 0.00 N ATOM 563 CA PHE A 36 295.182 124.236 402.356 1.00 0.00 C ATOM 564 C PHE A 36 294.496 123.744 401.084 1.00 0.00 C ATOM 565 O PHE A 36 294.491 122.549 400.801 1.00 0.00 O ATOM 566 CB PHE A 36 294.200 124.571 403.531 1.00 0.00 C ATOM 567 CG PHE A 36 293.211 123.434 403.950 1.00 0.00 C ATOM 568 CD1 PHE A 36 293.182 122.963 405.253 1.00 0.00 C ATOM 569 CD2 PHE A 36 292.219 122.924 403.102 1.00 0.00 C ATOM 570 CE1 PHE A 36 292.196 122.081 405.679 1.00 0.00 C ATOM 571 CE2 PHE A 36 291.251 122.032 403.505 1.00 0.00 C ATOM 572 CZ PHE A 36 291.217 121.626 404.814 1.00 0.00 C ATOM 0 H PHE A 36 295.564 126.271 402.281 1.00 0.00 H new ATOM 0 HA PHE A 36 295.798 123.429 402.754 1.00 0.00 H new ATOM 0 HB2 PHE A 36 294.792 124.849 404.403 1.00 0.00 H new ATOM 0 HB3 PHE A 36 293.616 125.447 403.250 1.00 0.00 H new ATOM 0 HD1 PHE A 36 293.940 123.287 405.951 1.00 0.00 H new ATOM 0 HD2 PHE A 36 292.213 123.250 402.072 1.00 0.00 H new ATOM 0 HE1 PHE A 36 292.194 121.744 406.705 1.00 0.00 H new ATOM 0 HE2 PHE A 36 290.526 121.656 402.798 1.00 0.00 H new ATOM 0 HZ PHE A 36 290.440 120.963 405.164 1.00 0.00 H new ATOM 582 N LEU A 37 293.901 124.677 400.263 1.00 0.00 N ATOM 583 CA LEU A 37 293.230 124.268 399.010 1.00 0.00 C ATOM 584 C LEU A 37 294.066 123.615 397.900 1.00 0.00 C ATOM 585 O LEU A 37 293.536 122.748 397.204 1.00 0.00 O ATOM 586 CB LEU A 37 292.063 125.143 398.475 1.00 0.00 C ATOM 587 CG LEU A 37 292.265 126.643 398.505 1.00 0.00 C ATOM 588 CD1 LEU A 37 292.327 127.231 397.093 1.00 0.00 C ATOM 589 CD2 LEU A 37 291.230 127.413 399.315 1.00 0.00 C ATOM 0 H LEU A 37 293.880 125.679 400.451 1.00 0.00 H new ATOM 0 HA LEU A 37 292.722 123.416 399.462 1.00 0.00 H new ATOM 0 HB2 LEU A 37 291.862 124.848 397.445 1.00 0.00 H new ATOM 0 HB3 LEU A 37 291.170 124.909 399.054 1.00 0.00 H new ATOM 0 HG LEU A 37 293.221 126.768 399.013 1.00 0.00 H new ATOM 0 HD11 LEU A 37 292.473 128.309 397.154 1.00 0.00 H new ATOM 0 HD12 LEU A 37 293.158 126.783 396.548 1.00 0.00 H new ATOM 0 HD13 LEU A 37 291.394 127.020 396.570 1.00 0.00 H new ATOM 0 HD21 LEU A 37 291.458 128.478 399.278 1.00 0.00 H new ATOM 0 HD22 LEU A 37 290.238 127.239 398.897 1.00 0.00 H new ATOM 0 HD23 LEU A 37 291.252 127.073 400.351 1.00 0.00 H new ATOM 601 N ARG A 38 295.405 123.906 397.722 1.00 0.00 N ATOM 602 CA ARG A 38 296.196 123.138 396.733 1.00 0.00 C ATOM 603 C ARG A 38 296.436 121.686 397.149 1.00 0.00 C ATOM 604 O ARG A 38 296.350 120.766 396.344 1.00 0.00 O ATOM 605 CB ARG A 38 297.548 123.804 396.389 1.00 0.00 C ATOM 606 CG ARG A 38 298.343 123.098 395.266 1.00 0.00 C ATOM 607 CD ARG A 38 299.336 124.012 394.537 1.00 0.00 C ATOM 608 NE ARG A 38 300.254 124.649 395.543 1.00 0.00 N ATOM 609 CZ ARG A 38 301.071 125.706 395.243 1.00 0.00 C ATOM 610 NH1 ARG A 38 301.112 126.225 393.981 1.00 0.00 N1+ ATOM 611 NH2 ARG A 38 301.854 126.246 396.222 1.00 0.00 N ATOM 0 H ARG A 38 295.919 124.628 398.227 1.00 0.00 H new ATOM 0 HA ARG A 38 295.575 123.138 395.837 1.00 0.00 H new ATOM 0 HB2 ARG A 38 297.365 124.837 396.093 1.00 0.00 H new ATOM 0 HB3 ARG A 38 298.163 123.834 397.288 1.00 0.00 H new ATOM 0 HG2 ARG A 38 298.887 122.256 395.694 1.00 0.00 H new ATOM 0 HG3 ARG A 38 297.641 122.689 394.540 1.00 0.00 H new ATOM 0 HD2 ARG A 38 299.914 123.437 393.813 1.00 0.00 H new ATOM 0 HD3 ARG A 38 298.800 124.780 393.979 1.00 0.00 H new ATOM 0 HE ARG A 38 300.269 124.277 396.492 1.00 0.00 H new ATOM 0 HH11 ARG A 38 300.529 125.825 393.246 1.00 0.00 H new ATOM 0 HH12 ARG A 38 301.726 127.013 393.773 1.00 0.00 H new ATOM 0 HH21 ARG A 38 301.827 125.862 397.167 1.00 0.00 H new ATOM 0 HH22 ARG A 38 302.466 127.034 396.009 1.00 0.00 H new ATOM 625 N ARG A 39 296.660 121.470 398.474 1.00 0.00 N ATOM 626 CA ARG A 39 296.765 120.170 399.133 1.00 0.00 C ATOM 627 C ARG A 39 295.436 119.403 399.197 1.00 0.00 C ATOM 628 O ARG A 39 295.396 118.180 399.047 1.00 0.00 O ATOM 629 CB ARG A 39 297.450 120.287 400.519 1.00 0.00 C ATOM 630 CG ARG A 39 298.762 121.114 400.513 1.00 0.00 C ATOM 631 CD ARG A 39 299.760 120.835 399.371 1.00 0.00 C ATOM 632 NE ARG A 39 300.098 119.367 399.358 1.00 0.00 N ATOM 633 CZ ARG A 39 300.495 118.690 398.235 1.00 0.00 C ATOM 634 NH1 ARG A 39 300.632 119.330 397.038 1.00 0.00 N1+ ATOM 635 NH2 ARG A 39 300.751 117.352 398.317 1.00 0.00 N ATOM 0 H ARG A 39 296.775 122.244 399.128 1.00 0.00 H new ATOM 0 HA ARG A 39 297.412 119.562 398.500 1.00 0.00 H new ATOM 0 HB2 ARG A 39 296.750 120.742 401.220 1.00 0.00 H new ATOM 0 HB3 ARG A 39 297.667 119.285 400.890 1.00 0.00 H new ATOM 0 HG2 ARG A 39 298.496 122.171 400.480 1.00 0.00 H new ATOM 0 HG3 ARG A 39 299.274 120.943 401.460 1.00 0.00 H new ATOM 0 HD2 ARG A 39 299.329 121.130 398.414 1.00 0.00 H new ATOM 0 HD3 ARG A 39 300.664 121.428 399.509 1.00 0.00 H new ATOM 0 HE ARG A 39 300.027 118.848 400.234 1.00 0.00 H new ATOM 0 HH11 ARG A 39 300.438 120.329 396.969 1.00 0.00 H new ATOM 0 HH12 ARG A 39 300.929 118.810 396.212 1.00 0.00 H new ATOM 0 HH21 ARG A 39 300.646 116.866 399.208 1.00 0.00 H new ATOM 0 HH22 ARG A 39 301.047 116.838 397.487 1.00 0.00 H new ATOM 649 N GLU A 40 294.296 120.139 399.377 1.00 0.00 N ATOM 650 CA GLU A 40 292.927 119.625 399.372 1.00 0.00 C ATOM 651 C GLU A 40 292.417 119.234 397.978 1.00 0.00 C ATOM 652 O GLU A 40 291.726 118.226 397.854 1.00 0.00 O ATOM 653 CB GLU A 40 291.944 120.615 400.062 1.00 0.00 C ATOM 654 CG GLU A 40 290.495 120.117 400.281 1.00 0.00 C ATOM 655 CD GLU A 40 290.470 118.858 401.148 1.00 0.00 C ATOM 656 OE1 GLU A 40 289.974 117.810 400.655 1.00 0.00 O ATOM 657 OE2 GLU A 40 290.944 118.928 402.313 1.00 0.00 O1- ATOM 0 H GLU A 40 294.330 121.146 399.534 1.00 0.00 H new ATOM 0 HA GLU A 40 292.962 118.703 399.952 1.00 0.00 H new ATOM 0 HB2 GLU A 40 292.360 120.887 401.032 1.00 0.00 H new ATOM 0 HB3 GLU A 40 291.904 121.526 399.465 1.00 0.00 H new ATOM 0 HG2 GLU A 40 289.906 120.901 400.756 1.00 0.00 H new ATOM 0 HG3 GLU A 40 290.030 119.908 399.318 1.00 0.00 H new ATOM 664 N LEU A 41 292.742 119.984 396.876 1.00 0.00 N ATOM 665 CA LEU A 41 292.257 119.546 395.556 1.00 0.00 C ATOM 666 C LEU A 41 293.176 118.562 394.844 1.00 0.00 C ATOM 667 O LEU A 41 292.814 118.038 393.796 1.00 0.00 O ATOM 668 CB LEU A 41 292.134 120.724 394.531 1.00 0.00 C ATOM 669 CG LEU A 41 291.141 121.846 394.908 1.00 0.00 C ATOM 670 CD1 LEU A 41 291.050 122.855 393.753 1.00 0.00 C ATOM 671 CD2 LEU A 41 289.732 121.313 395.235 1.00 0.00 C ATOM 0 H LEU A 41 293.301 120.837 396.884 1.00 0.00 H new ATOM 0 HA LEU A 41 291.298 119.093 395.809 1.00 0.00 H new ATOM 0 HB2 LEU A 41 293.120 121.168 394.397 1.00 0.00 H new ATOM 0 HB3 LEU A 41 291.837 120.311 393.567 1.00 0.00 H new ATOM 0 HG LEU A 41 291.522 122.324 395.811 1.00 0.00 H new ATOM 0 HD11 LEU A 41 290.350 123.648 394.017 1.00 0.00 H new ATOM 0 HD12 LEU A 41 292.034 123.286 393.568 1.00 0.00 H new ATOM 0 HD13 LEU A 41 290.702 122.348 392.853 1.00 0.00 H new ATOM 0 HD21 LEU A 41 289.078 122.146 395.492 1.00 0.00 H new ATOM 0 HD22 LEU A 41 289.330 120.791 394.367 1.00 0.00 H new ATOM 0 HD23 LEU A 41 289.790 120.624 396.078 1.00 0.00 H new ATOM 683 N GLY A 42 294.413 118.324 395.353 1.00 0.00 N ATOM 684 CA GLY A 42 295.446 117.450 394.770 1.00 0.00 C ATOM 685 C GLY A 42 296.128 117.962 393.507 1.00 0.00 C ATOM 686 O GLY A 42 297.147 117.441 393.064 1.00 0.00 O ATOM 0 H GLY A 42 294.724 118.760 396.221 1.00 0.00 H new ATOM 0 HA2 GLY A 42 296.212 117.274 395.525 1.00 0.00 H new ATOM 0 HA3 GLY A 42 294.991 116.485 394.546 1.00 0.00 H new ATOM 690 N LEU A 43 295.546 119.015 392.890 1.00 0.00 N ATOM 691 CA LEU A 43 295.951 119.642 391.656 1.00 0.00 C ATOM 692 C LEU A 43 296.506 121.030 391.852 1.00 0.00 C ATOM 693 O LEU A 43 296.041 121.835 392.661 1.00 0.00 O ATOM 694 CB LEU A 43 294.867 119.559 390.538 1.00 0.00 C ATOM 695 CG LEU A 43 293.408 119.960 390.877 1.00 0.00 C ATOM 696 CD1 LEU A 43 293.225 121.441 391.226 1.00 0.00 C ATOM 697 CD2 LEU A 43 292.495 119.618 389.689 1.00 0.00 C ATOM 0 H LEU A 43 294.722 119.466 393.288 1.00 0.00 H new ATOM 0 HA LEU A 43 296.786 119.047 391.287 1.00 0.00 H new ATOM 0 HB2 LEU A 43 295.198 120.187 389.711 1.00 0.00 H new ATOM 0 HB3 LEU A 43 294.850 118.533 390.171 1.00 0.00 H new ATOM 0 HG LEU A 43 293.142 119.393 391.769 1.00 0.00 H new ATOM 0 HD11 LEU A 43 292.176 121.635 391.450 1.00 0.00 H new ATOM 0 HD12 LEU A 43 293.833 121.688 392.096 1.00 0.00 H new ATOM 0 HD13 LEU A 43 293.536 122.055 390.381 1.00 0.00 H new ATOM 0 HD21 LEU A 43 291.469 119.899 389.926 1.00 0.00 H new ATOM 0 HD22 LEU A 43 292.827 120.165 388.806 1.00 0.00 H new ATOM 0 HD23 LEU A 43 292.541 118.547 389.491 1.00 0.00 H new ATOM 709 N SER A 44 297.551 121.363 391.055 1.00 0.00 N ATOM 710 CA SER A 44 298.270 122.627 391.085 1.00 0.00 C ATOM 711 C SER A 44 297.648 123.743 390.241 1.00 0.00 C ATOM 712 O SER A 44 298.325 124.405 389.457 1.00 0.00 O ATOM 713 CB SER A 44 299.773 122.391 390.756 1.00 0.00 C ATOM 714 OG SER A 44 299.945 121.636 389.557 1.00 0.00 O ATOM 0 H SER A 44 297.918 120.722 390.352 1.00 0.00 H new ATOM 0 HA SER A 44 298.185 123.006 392.103 1.00 0.00 H new ATOM 0 HB2 SER A 44 300.277 123.352 390.655 1.00 0.00 H new ATOM 0 HB3 SER A 44 300.248 121.867 391.586 1.00 0.00 H new ATOM 0 HG SER A 44 300.901 121.511 389.384 1.00 0.00 H new ATOM 720 N SER A 45 296.322 124.017 390.453 1.00 0.00 N ATOM 721 CA SER A 45 295.541 125.133 389.877 1.00 0.00 C ATOM 722 C SER A 45 295.896 126.480 390.514 1.00 0.00 C ATOM 723 O SER A 45 295.574 127.524 389.957 1.00 0.00 O ATOM 724 CB SER A 45 293.962 125.008 389.911 1.00 0.00 C ATOM 725 OG SER A 45 293.506 123.984 389.029 1.00 0.00 O ATOM 0 H SER A 45 295.752 123.430 391.062 1.00 0.00 H new ATOM 0 HA SER A 45 295.841 125.075 388.831 1.00 0.00 H new ATOM 0 HB2 SER A 45 293.634 124.789 390.927 1.00 0.00 H new ATOM 0 HB3 SER A 45 293.513 125.961 389.629 1.00 0.00 H new ATOM 0 HG SER A 45 293.781 124.195 388.112 1.00 0.00 H new ATOM 731 N ALA A 46 296.550 126.493 391.723 1.00 0.00 N ATOM 732 CA ALA A 46 296.743 127.661 392.592 1.00 0.00 C ATOM 733 C ALA A 46 297.686 128.779 392.156 1.00 0.00 C ATOM 734 O ALA A 46 297.708 129.827 392.792 1.00 0.00 O ATOM 735 CB ALA A 46 297.102 127.215 394.029 1.00 0.00 C ATOM 0 H ALA A 46 296.965 125.648 392.115 1.00 0.00 H new ATOM 0 HA ALA A 46 295.766 128.139 392.522 1.00 0.00 H new ATOM 0 HB1 ALA A 46 297.241 128.094 394.659 1.00 0.00 H new ATOM 0 HB2 ALA A 46 296.295 126.604 394.433 1.00 0.00 H new ATOM 0 HB3 ALA A 46 298.023 126.633 394.010 1.00 0.00 H new ATOM 741 N HIS A 47 298.394 128.607 391.015 1.00 0.00 N ATOM 742 CA HIS A 47 299.282 129.526 390.320 1.00 0.00 C ATOM 743 C HIS A 47 298.605 130.770 389.722 1.00 0.00 C ATOM 744 O HIS A 47 299.253 131.749 389.358 1.00 0.00 O ATOM 745 CB HIS A 47 299.952 128.683 389.192 1.00 0.00 C ATOM 746 CG HIS A 47 300.979 129.373 388.335 1.00 0.00 C ATOM 747 ND1 HIS A 47 300.722 129.935 387.100 1.00 0.00 N ATOM 748 CD2 HIS A 47 302.293 129.605 388.581 1.00 0.00 C ATOM 749 CE1 HIS A 47 301.885 130.478 386.666 1.00 0.00 C ATOM 750 NE2 HIS A 47 302.861 130.302 387.531 1.00 0.00 N ATOM 0 H HIS A 47 298.340 127.719 390.517 1.00 0.00 H new ATOM 0 HA HIS A 47 299.988 129.939 391.041 1.00 0.00 H new ATOM 0 HB2 HIS A 47 300.425 127.816 389.654 1.00 0.00 H new ATOM 0 HB3 HIS A 47 299.165 128.307 388.539 1.00 0.00 H new ATOM 0 HD2 HIS A 47 302.820 129.290 389.470 1.00 0.00 H new ATOM 0 HE1 HIS A 47 301.998 130.993 385.724 1.00 0.00 H new ATOM 0 HE2 HIS A 47 303.829 130.613 387.445 1.00 0.00 H new ATOM 758 N THR A 48 297.262 130.754 389.560 1.00 0.00 N ATOM 759 CA THR A 48 296.528 131.862 388.969 1.00 0.00 C ATOM 760 C THR A 48 295.182 131.918 389.650 1.00 0.00 C ATOM 761 O THR A 48 294.447 130.926 389.688 1.00 0.00 O ATOM 762 CB THR A 48 296.375 131.704 387.455 1.00 0.00 C ATOM 763 OG1 THR A 48 297.648 131.551 386.842 1.00 0.00 O ATOM 764 CG2 THR A 48 295.729 132.944 386.818 1.00 0.00 C ATOM 0 H THR A 48 296.672 129.970 389.839 1.00 0.00 H new ATOM 0 HA THR A 48 297.076 132.793 389.118 1.00 0.00 H new ATOM 0 HB THR A 48 295.747 130.827 387.298 1.00 0.00 H new ATOM 0 HG1 THR A 48 297.535 131.449 385.874 1.00 0.00 H new ATOM 0 HG21 THR A 48 295.637 132.794 385.742 1.00 0.00 H new ATOM 0 HG22 THR A 48 294.740 133.101 387.248 1.00 0.00 H new ATOM 0 HG23 THR A 48 296.351 133.818 387.011 1.00 0.00 H new ATOM 772 N ASN A 49 294.781 133.114 390.195 1.00 0.00 N ATOM 773 CA ASN A 49 293.525 133.314 390.926 1.00 0.00 C ATOM 774 C ASN A 49 292.267 133.061 390.122 1.00 0.00 C ATOM 775 O ASN A 49 291.318 132.483 390.628 1.00 0.00 O ATOM 776 CB ASN A 49 293.421 134.687 391.659 1.00 0.00 C ATOM 777 CG ASN A 49 292.886 134.437 393.070 1.00 0.00 C ATOM 778 OD1 ASN A 49 293.603 133.788 393.836 1.00 0.00 O ATOM 779 ND2 ASN A 49 291.671 134.910 393.453 1.00 0.00 N ATOM 0 H ASN A 49 295.343 133.963 390.126 1.00 0.00 H new ATOM 0 HA ASN A 49 293.581 132.533 391.684 1.00 0.00 H new ATOM 0 HB2 ASN A 49 294.398 135.169 391.703 1.00 0.00 H new ATOM 0 HB3 ASN A 49 292.758 135.359 391.115 1.00 0.00 H new ATOM 0 HD21 ASN A 49 291.329 134.731 394.397 1.00 0.00 H new ATOM 0 HD22 ASN A 49 291.101 135.444 392.796 1.00 0.00 H new ATOM 786 N ARG A 50 292.262 133.413 388.809 1.00 0.00 N ATOM 787 CA ARG A 50 291.139 133.129 387.924 1.00 0.00 C ATOM 788 C ARG A 50 291.000 131.660 387.529 1.00 0.00 C ATOM 789 O ARG A 50 289.881 131.184 387.417 1.00 0.00 O ATOM 790 CB ARG A 50 291.058 134.117 386.733 1.00 0.00 C ATOM 791 CG ARG A 50 291.196 135.596 387.172 1.00 0.00 C ATOM 792 CD ARG A 50 290.239 136.010 388.312 1.00 0.00 C ATOM 793 NE ARG A 50 290.539 137.433 388.712 1.00 0.00 N ATOM 794 CZ ARG A 50 290.512 137.889 390.006 1.00 0.00 C ATOM 795 NH1 ARG A 50 290.210 137.057 391.045 1.00 0.00 N1+ ATOM 796 NH2 ARG A 50 290.790 139.202 390.258 1.00 0.00 N ATOM 0 H ARG A 50 293.036 133.896 388.354 1.00 0.00 H new ATOM 0 HA ARG A 50 290.246 133.313 388.522 1.00 0.00 H new ATOM 0 HB2 ARG A 50 291.844 133.880 386.016 1.00 0.00 H new ATOM 0 HB3 ARG A 50 290.106 133.982 386.219 1.00 0.00 H new ATOM 0 HG2 ARG A 50 292.223 135.774 387.492 1.00 0.00 H new ATOM 0 HG3 ARG A 50 291.015 136.238 386.310 1.00 0.00 H new ATOM 0 HD2 ARG A 50 289.203 135.921 387.985 1.00 0.00 H new ATOM 0 HD3 ARG A 50 290.361 135.345 389.167 1.00 0.00 H new ATOM 0 HE ARG A 50 290.777 138.097 387.975 1.00 0.00 H new ATOM 0 HH11 ARG A 50 289.999 136.075 390.867 1.00 0.00 H new ATOM 0 HH12 ARG A 50 290.196 137.417 391.999 1.00 0.00 H new ATOM 0 HH21 ARG A 50 291.015 139.833 389.488 1.00 0.00 H new ATOM 0 HH22 ARG A 50 290.773 139.552 391.216 1.00 0.00 H new ATOM 810 N LYS A 51 292.115 130.891 387.345 1.00 0.00 N ATOM 811 CA LYS A 51 292.103 129.442 387.075 1.00 0.00 C ATOM 812 C LYS A 51 291.747 128.575 388.284 1.00 0.00 C ATOM 813 O LYS A 51 290.862 127.701 388.245 1.00 0.00 O ATOM 814 CB LYS A 51 293.419 128.950 386.432 1.00 0.00 C ATOM 815 CG LYS A 51 293.798 129.724 385.159 1.00 0.00 C ATOM 816 CD LYS A 51 294.993 129.084 384.434 1.00 0.00 C ATOM 817 CE LYS A 51 295.581 129.970 383.325 1.00 0.00 C ATOM 818 NZ LYS A 51 294.586 130.239 382.260 1.00 0.00 N1+ ATOM 0 H LYS A 51 293.057 131.280 387.383 1.00 0.00 H new ATOM 0 HA LYS A 51 291.294 129.316 386.356 1.00 0.00 H new ATOM 0 HB2 LYS A 51 294.227 129.041 387.158 1.00 0.00 H new ATOM 0 HB3 LYS A 51 293.324 127.891 386.191 1.00 0.00 H new ATOM 0 HG2 LYS A 51 292.941 129.758 384.486 1.00 0.00 H new ATOM 0 HG3 LYS A 51 294.040 130.754 385.419 1.00 0.00 H new ATOM 0 HD2 LYS A 51 295.773 128.861 385.162 1.00 0.00 H new ATOM 0 HD3 LYS A 51 294.679 128.134 384.002 1.00 0.00 H new ATOM 0 HE2 LYS A 51 295.921 130.913 383.753 1.00 0.00 H new ATOM 0 HE3 LYS A 51 296.455 129.482 382.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 295.015 130.840 381.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 294.280 129.340 381.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 293.763 130.726 382.669 1.00 0.00 H new ATOM 832 N VAL A 52 292.387 128.864 389.476 1.00 0.00 N ATOM 833 CA VAL A 52 292.083 128.187 390.753 1.00 0.00 C ATOM 834 C VAL A 52 290.712 128.489 391.219 1.00 0.00 C ATOM 835 O VAL A 52 289.995 127.546 391.538 1.00 0.00 O ATOM 836 CB VAL A 52 293.056 128.365 391.942 1.00 0.00 C ATOM 837 CG1 VAL A 52 293.078 129.780 392.579 1.00 0.00 C ATOM 838 CG2 VAL A 52 292.845 127.259 393.021 1.00 0.00 C ATOM 0 H VAL A 52 293.119 129.570 389.555 1.00 0.00 H new ATOM 0 HA VAL A 52 292.206 127.145 390.459 1.00 0.00 H new ATOM 0 HB VAL A 52 294.046 128.250 391.502 1.00 0.00 H new ATOM 0 HG11 VAL A 52 293.792 129.797 393.402 1.00 0.00 H new ATOM 0 HG12 VAL A 52 293.373 130.513 391.828 1.00 0.00 H new ATOM 0 HG13 VAL A 52 292.085 130.025 392.955 1.00 0.00 H new ATOM 0 HG21 VAL A 52 293.545 127.414 393.842 1.00 0.00 H new ATOM 0 HG22 VAL A 52 291.824 127.310 393.399 1.00 0.00 H new ATOM 0 HG23 VAL A 52 293.019 126.279 392.576 1.00 0.00 H new ATOM 848 N TRP A 53 290.283 129.797 391.158 1.00 0.00 N ATOM 849 CA TRP A 53 288.931 130.251 391.465 1.00 0.00 C ATOM 850 C TRP A 53 287.890 129.661 390.558 1.00 0.00 C ATOM 851 O TRP A 53 286.840 129.325 391.048 1.00 0.00 O ATOM 852 CB TRP A 53 288.738 131.738 391.820 1.00 0.00 C ATOM 853 CG TRP A 53 289.168 132.240 393.181 1.00 0.00 C ATOM 854 CD1 TRP A 53 288.754 133.448 393.665 1.00 0.00 C ATOM 855 CD2 TRP A 53 289.562 131.458 394.334 1.00 0.00 C ATOM 856 NE1 TRP A 53 288.856 133.470 395.028 1.00 0.00 N ATOM 857 CE2 TRP A 53 289.366 132.262 395.451 1.00 0.00 C ATOM 858 CE3 TRP A 53 289.971 130.158 394.480 1.00 0.00 C ATOM 859 CZ2 TRP A 53 289.549 131.763 396.706 1.00 0.00 C ATOM 860 CZ3 TRP A 53 290.080 129.643 395.739 1.00 0.00 C ATOM 861 CH2 TRP A 53 289.837 130.422 396.832 1.00 0.00 C ATOM 0 H TRP A 53 290.903 130.560 390.885 1.00 0.00 H new ATOM 0 HA TRP A 53 288.749 129.813 392.446 1.00 0.00 H new ATOM 0 HB2 TRP A 53 289.271 132.324 391.072 1.00 0.00 H new ATOM 0 HB3 TRP A 53 287.678 131.966 391.707 1.00 0.00 H new ATOM 0 HD1 TRP A 53 288.398 134.268 393.059 1.00 0.00 H new ATOM 0 HE1 TRP A 53 288.598 134.251 395.631 1.00 0.00 H new ATOM 0 HE3 TRP A 53 290.202 129.553 393.616 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 289.471 132.400 397.575 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 290.361 128.609 395.871 1.00 0.00 H new ATOM 0 HH2 TRP A 53 289.871 129.978 397.816 1.00 0.00 H new ATOM 872 N LYS A 54 288.190 129.398 389.267 1.00 0.00 N ATOM 873 CA LYS A 54 287.364 128.618 388.329 1.00 0.00 C ATOM 874 C LYS A 54 287.244 127.129 388.671 1.00 0.00 C ATOM 875 O LYS A 54 286.133 126.619 388.658 1.00 0.00 O ATOM 876 CB LYS A 54 288.055 128.749 386.958 1.00 0.00 C ATOM 877 CG LYS A 54 288.007 127.620 385.919 1.00 0.00 C ATOM 878 CD LYS A 54 288.701 128.069 384.627 1.00 0.00 C ATOM 879 CE LYS A 54 288.590 127.068 383.470 1.00 0.00 C ATOM 880 NZ LYS A 54 289.249 125.783 383.795 1.00 0.00 N1+ ATOM 0 H LYS A 54 289.049 129.739 388.836 1.00 0.00 H new ATOM 0 HA LYS A 54 286.347 129.008 388.362 1.00 0.00 H new ATOM 0 HB2 LYS A 54 287.641 129.636 386.479 1.00 0.00 H new ATOM 0 HB3 LYS A 54 289.108 128.954 387.153 1.00 0.00 H new ATOM 0 HG2 LYS A 54 288.496 126.730 386.314 1.00 0.00 H new ATOM 0 HG3 LYS A 54 286.972 127.349 385.711 1.00 0.00 H new ATOM 0 HD2 LYS A 54 288.274 129.021 384.311 1.00 0.00 H new ATOM 0 HD3 LYS A 54 289.755 128.247 384.838 1.00 0.00 H new ATOM 0 HE2 LYS A 54 287.539 126.891 383.241 1.00 0.00 H new ATOM 0 HE3 LYS A 54 289.044 127.494 382.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 290.008 125.599 383.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 289.653 125.832 384.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 288.550 125.014 383.753 1.00 0.00 H new ATOM 894 N LYS A 55 288.332 126.373 389.055 1.00 0.00 N ATOM 895 CA LYS A 55 288.206 124.962 389.555 1.00 0.00 C ATOM 896 C LYS A 55 287.398 124.907 390.887 1.00 0.00 C ATOM 897 O LYS A 55 286.474 124.111 391.140 1.00 0.00 O ATOM 898 CB LYS A 55 289.589 124.258 389.736 1.00 0.00 C ATOM 899 CG LYS A 55 290.210 123.644 388.462 1.00 0.00 C ATOM 900 CD LYS A 55 290.663 124.690 387.443 1.00 0.00 C ATOM 901 CE LYS A 55 291.470 124.119 386.272 1.00 0.00 C ATOM 902 NZ LYS A 55 292.030 125.211 385.441 1.00 0.00 N1+ ATOM 0 H LYS A 55 289.292 126.717 389.027 1.00 0.00 H new ATOM 0 HA LYS A 55 287.662 124.415 388.785 1.00 0.00 H new ATOM 0 HB2 LYS A 55 290.292 124.983 390.145 1.00 0.00 H new ATOM 0 HB3 LYS A 55 289.477 123.468 390.479 1.00 0.00 H new ATOM 0 HG2 LYS A 55 291.064 123.028 388.744 1.00 0.00 H new ATOM 0 HG3 LYS A 55 289.481 122.983 387.994 1.00 0.00 H new ATOM 0 HD2 LYS A 55 289.785 125.201 387.049 1.00 0.00 H new ATOM 0 HD3 LYS A 55 291.266 125.441 387.954 1.00 0.00 H new ATOM 0 HE2 LYS A 55 292.278 123.493 386.651 1.00 0.00 H new ATOM 0 HE3 LYS A 55 290.832 123.481 385.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 292.019 124.927 384.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 291.456 126.070 385.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 293.009 125.404 385.735 1.00 0.00 H new ATOM 916 N PHE A 56 287.683 125.943 391.716 1.00 0.00 N ATOM 917 CA PHE A 56 286.933 126.266 392.951 1.00 0.00 C ATOM 918 C PHE A 56 285.442 126.595 392.729 1.00 0.00 C ATOM 919 O PHE A 56 284.525 125.990 393.282 1.00 0.00 O ATOM 920 CB PHE A 56 287.635 127.411 393.726 1.00 0.00 C ATOM 921 CG PHE A 56 288.186 126.871 394.994 1.00 0.00 C ATOM 922 CD1 PHE A 56 289.128 125.864 395.002 1.00 0.00 C ATOM 923 CD2 PHE A 56 287.636 127.289 396.171 1.00 0.00 C ATOM 924 CE1 PHE A 56 289.443 125.225 396.181 1.00 0.00 C ATOM 925 CE2 PHE A 56 287.930 126.657 397.347 1.00 0.00 C ATOM 926 CZ PHE A 56 288.832 125.617 397.353 1.00 0.00 C ATOM 0 H PHE A 56 288.454 126.587 391.540 1.00 0.00 H new ATOM 0 HA PHE A 56 286.942 125.353 393.546 1.00 0.00 H new ATOM 0 HB2 PHE A 56 288.434 127.840 393.121 1.00 0.00 H new ATOM 0 HB3 PHE A 56 286.927 128.213 393.935 1.00 0.00 H new ATOM 0 HD1 PHE A 56 289.619 125.576 394.084 1.00 0.00 H new ATOM 0 HD2 PHE A 56 286.959 128.131 396.173 1.00 0.00 H new ATOM 0 HE1 PHE A 56 290.165 124.421 396.187 1.00 0.00 H new ATOM 0 HE2 PHE A 56 287.458 126.972 398.266 1.00 0.00 H new ATOM 0 HZ PHE A 56 289.061 125.107 398.277 1.00 0.00 H new ATOM 936 N VAL A 57 285.154 127.538 391.810 1.00 0.00 N ATOM 937 CA VAL A 57 283.853 127.903 391.262 1.00 0.00 C ATOM 938 C VAL A 57 283.079 126.797 390.539 1.00 0.00 C ATOM 939 O VAL A 57 281.860 126.704 390.649 1.00 0.00 O ATOM 940 CB VAL A 57 283.441 129.377 391.240 1.00 0.00 C ATOM 941 CG1 VAL A 57 283.365 129.883 392.730 1.00 0.00 C ATOM 942 CG2 VAL A 57 284.269 130.323 390.347 1.00 0.00 C ATOM 0 H VAL A 57 285.897 128.107 391.404 1.00 0.00 H new ATOM 0 HA VAL A 57 283.061 127.967 392.008 1.00 0.00 H new ATOM 0 HB VAL A 57 282.468 129.413 390.751 1.00 0.00 H new ATOM 0 HG11 VAL A 57 283.073 130.933 392.743 1.00 0.00 H new ATOM 0 HG12 VAL A 57 282.628 129.294 393.277 1.00 0.00 H new ATOM 0 HG13 VAL A 57 284.341 129.772 393.202 1.00 0.00 H new ATOM 0 HG21 VAL A 57 283.872 131.335 390.423 1.00 0.00 H new ATOM 0 HG22 VAL A 57 285.309 130.315 390.674 1.00 0.00 H new ATOM 0 HG23 VAL A 57 284.212 129.988 389.311 1.00 0.00 H new ATOM 952 N GLU A 58 283.810 125.851 389.883 1.00 0.00 N ATOM 953 CA GLU A 58 283.339 124.531 389.426 1.00 0.00 C ATOM 954 C GLU A 58 282.859 123.644 390.616 1.00 0.00 C ATOM 955 O GLU A 58 281.763 123.089 390.566 1.00 0.00 O ATOM 956 CB GLU A 58 284.421 123.823 388.567 1.00 0.00 C ATOM 957 CG GLU A 58 283.924 122.593 387.784 1.00 0.00 C ATOM 958 CD GLU A 58 285.068 122.052 386.925 1.00 0.00 C ATOM 959 OE1 GLU A 58 286.102 121.633 387.511 1.00 0.00 O ATOM 960 OE2 GLU A 58 284.922 122.050 385.673 1.00 0.00 O1- ATOM 0 H GLU A 58 284.791 126.006 389.652 1.00 0.00 H new ATOM 0 HA GLU A 58 282.469 124.690 388.788 1.00 0.00 H new ATOM 0 HB2 GLU A 58 284.832 124.544 387.860 1.00 0.00 H new ATOM 0 HB3 GLU A 58 285.238 123.515 389.219 1.00 0.00 H new ATOM 0 HG2 GLU A 58 283.575 121.824 388.473 1.00 0.00 H new ATOM 0 HG3 GLU A 58 283.077 122.865 387.154 1.00 0.00 H new ATOM 967 N ALA A 59 283.611 123.588 391.773 1.00 0.00 N ATOM 968 CA ALA A 59 283.085 122.999 393.046 1.00 0.00 C ATOM 969 C ALA A 59 281.866 123.668 393.674 1.00 0.00 C ATOM 970 O ALA A 59 281.034 123.044 394.306 1.00 0.00 O ATOM 971 CB ALA A 59 284.022 123.182 394.258 1.00 0.00 C ATOM 0 H ALA A 59 284.566 123.939 391.842 1.00 0.00 H new ATOM 0 HA ALA A 59 282.915 121.988 392.676 1.00 0.00 H new ATOM 0 HB1 ALA A 59 283.569 122.728 395.140 1.00 0.00 H new ATOM 0 HB2 ALA A 59 284.979 122.702 394.054 1.00 0.00 H new ATOM 0 HB3 ALA A 59 284.181 124.245 394.438 1.00 0.00 H new ATOM 977 N TYR A 60 281.795 125.017 393.609 1.00 0.00 N ATOM 978 CA TYR A 60 280.841 125.928 394.253 1.00 0.00 C ATOM 979 C TYR A 60 279.315 125.602 394.027 1.00 0.00 C ATOM 980 O TYR A 60 278.414 126.064 394.712 1.00 0.00 O ATOM 981 CB TYR A 60 281.207 127.353 393.765 1.00 0.00 C ATOM 982 CG TYR A 60 280.864 128.593 394.562 1.00 0.00 C ATOM 983 CD1 TYR A 60 281.648 128.999 395.637 1.00 0.00 C ATOM 984 CD2 TYR A 60 279.940 129.490 394.058 1.00 0.00 C ATOM 985 CE1 TYR A 60 281.545 130.261 396.201 1.00 0.00 C ATOM 986 CE2 TYR A 60 279.828 130.753 394.599 1.00 0.00 C ATOM 987 CZ TYR A 60 280.634 131.145 395.647 1.00 0.00 C ATOM 988 OH TYR A 60 280.490 132.453 396.139 1.00 0.00 O ATOM 0 H TYR A 60 282.471 125.537 393.050 1.00 0.00 H new ATOM 0 HA TYR A 60 280.940 125.817 395.333 1.00 0.00 H new ATOM 0 HB2 TYR A 60 282.287 127.365 393.616 1.00 0.00 H new ATOM 0 HB3 TYR A 60 280.749 127.475 392.784 1.00 0.00 H new ATOM 0 HD1 TYR A 60 282.365 128.304 396.048 1.00 0.00 H new ATOM 0 HD2 TYR A 60 279.303 129.199 393.236 1.00 0.00 H new ATOM 0 HE1 TYR A 60 282.155 130.546 397.045 1.00 0.00 H new ATOM 0 HE2 TYR A 60 279.101 131.443 394.198 1.00 0.00 H new ATOM 0 HH TYR A 60 279.807 132.925 395.619 1.00 0.00 H new ATOM 998 N GLY A 61 279.024 124.723 393.034 1.00 0.00 N ATOM 999 CA GLY A 61 277.733 124.077 392.767 1.00 0.00 C ATOM 1000 C GLY A 61 277.564 122.651 393.302 1.00 0.00 C ATOM 1001 O GLY A 61 276.563 122.011 393.003 1.00 0.00 O ATOM 0 H GLY A 61 279.735 124.435 392.362 1.00 0.00 H new ATOM 0 HA2 GLY A 61 276.945 124.698 393.193 1.00 0.00 H new ATOM 0 HA3 GLY A 61 277.576 124.059 391.689 1.00 0.00 H new ATOM 1005 N LYS A 62 278.537 122.103 394.091 1.00 0.00 N ATOM 1006 CA LYS A 62 278.563 120.759 394.691 1.00 0.00 C ATOM 1007 C LYS A 62 277.991 120.686 396.111 1.00 0.00 C ATOM 1008 O LYS A 62 277.225 119.778 396.406 1.00 0.00 O ATOM 1009 CB LYS A 62 279.991 120.103 394.516 1.00 0.00 C ATOM 1010 CG LYS A 62 280.647 119.129 395.539 1.00 0.00 C ATOM 1011 CD LYS A 62 280.997 119.617 396.975 1.00 0.00 C ATOM 1012 CE LYS A 62 281.627 121.013 397.063 1.00 0.00 C ATOM 1013 NZ LYS A 62 283.071 120.862 396.843 1.00 0.00 N1+ ATOM 0 H LYS A 62 279.373 122.635 394.332 1.00 0.00 H new ATOM 0 HA LYS A 62 277.861 120.141 394.131 1.00 0.00 H new ATOM 0 HB2 LYS A 62 279.963 119.569 393.566 1.00 0.00 H new ATOM 0 HB3 LYS A 62 280.690 120.930 394.396 1.00 0.00 H new ATOM 0 HG2 LYS A 62 279.980 118.273 395.643 1.00 0.00 H new ATOM 0 HG3 LYS A 62 281.569 118.762 395.089 1.00 0.00 H new ATOM 0 HD2 LYS A 62 280.087 119.610 397.574 1.00 0.00 H new ATOM 0 HD3 LYS A 62 281.682 118.899 397.427 1.00 0.00 H new ATOM 0 HE2 LYS A 62 281.193 121.677 396.315 1.00 0.00 H new ATOM 0 HE3 LYS A 62 281.433 121.460 398.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 283.532 121.792 396.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 283.467 120.224 397.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 283.238 120.463 395.897 1.00 0.00 H new ATOM 1027 N ALA A 63 278.348 121.606 397.054 1.00 0.00 N ATOM 1028 CA ALA A 63 277.932 121.572 398.474 1.00 0.00 C ATOM 1029 C ALA A 63 276.856 122.587 398.846 1.00 0.00 C ATOM 1030 O ALA A 63 276.784 123.069 399.977 1.00 0.00 O ATOM 1031 CB ALA A 63 279.139 121.723 399.442 1.00 0.00 C ATOM 0 H ALA A 63 278.945 122.404 396.836 1.00 0.00 H new ATOM 0 HA ALA A 63 277.489 120.583 398.591 1.00 0.00 H new ATOM 0 HB1 ALA A 63 278.785 121.692 400.472 1.00 0.00 H new ATOM 0 HB2 ALA A 63 279.843 120.908 399.276 1.00 0.00 H new ATOM 0 HB3 ALA A 63 279.636 122.675 399.258 1.00 0.00 H new ATOM 1037 N ILE A 64 275.992 122.949 397.879 1.00 0.00 N ATOM 1038 CA ILE A 64 274.890 123.917 398.069 1.00 0.00 C ATOM 1039 C ILE A 64 273.418 123.392 398.199 1.00 0.00 C ATOM 1040 O ILE A 64 272.567 123.766 397.393 1.00 0.00 O ATOM 1041 CB ILE A 64 275.045 125.022 397.001 1.00 0.00 C ATOM 1042 CG1 ILE A 64 274.336 126.339 397.418 1.00 0.00 C ATOM 1043 CG2 ILE A 64 274.765 124.545 395.551 1.00 0.00 C ATOM 1044 CD1 ILE A 64 274.694 127.540 396.535 1.00 0.00 C ATOM 0 H ILE A 64 276.038 122.574 396.932 1.00 0.00 H new ATOM 0 HA ILE A 64 275.018 124.294 399.084 1.00 0.00 H new ATOM 0 HB ILE A 64 276.105 125.273 396.964 1.00 0.00 H new ATOM 0 HG12 ILE A 64 273.257 126.186 397.387 1.00 0.00 H new ATOM 0 HG13 ILE A 64 274.596 126.569 398.451 1.00 0.00 H new ATOM 0 HG21 ILE A 64 274.895 125.379 394.862 1.00 0.00 H new ATOM 0 HG22 ILE A 64 275.460 123.747 395.290 1.00 0.00 H new ATOM 0 HG23 ILE A 64 273.743 124.173 395.481 1.00 0.00 H new ATOM 0 HD11 ILE A 64 274.161 128.423 396.888 1.00 0.00 H new ATOM 0 HD12 ILE A 64 275.768 127.721 396.585 1.00 0.00 H new ATOM 0 HD13 ILE A 64 274.409 127.331 395.504 1.00 0.00 H new ATOM 1056 N PRO A 65 272.939 122.565 399.173 1.00 0.00 N ATOM 1057 CA PRO A 65 271.510 122.235 399.325 1.00 0.00 C ATOM 1058 C PRO A 65 270.756 123.326 400.144 1.00 0.00 C ATOM 1059 O PRO A 65 271.427 124.082 400.848 1.00 0.00 O ATOM 1060 CB PRO A 65 271.558 120.874 400.048 1.00 0.00 C ATOM 1061 CG PRO A 65 272.836 120.901 400.895 1.00 0.00 C ATOM 1062 CD PRO A 65 273.762 121.887 400.169 1.00 0.00 C ATOM 0 HA PRO A 65 270.964 122.192 398.383 1.00 0.00 H new ATOM 0 HB2 PRO A 65 270.677 120.731 400.673 1.00 0.00 H new ATOM 0 HB3 PRO A 65 271.579 120.051 399.333 1.00 0.00 H new ATOM 0 HG2 PRO A 65 272.629 121.228 401.914 1.00 0.00 H new ATOM 0 HG3 PRO A 65 273.287 119.911 400.964 1.00 0.00 H new ATOM 0 HD2 PRO A 65 274.193 122.603 400.869 1.00 0.00 H new ATOM 0 HD3 PRO A 65 274.593 121.364 399.696 1.00 0.00 H new ATOM 1070 N PRO A 66 269.412 123.472 400.153 1.00 0.00 N ATOM 1071 CA PRO A 66 268.700 124.576 400.830 1.00 0.00 C ATOM 1072 C PRO A 66 268.470 124.370 402.351 1.00 0.00 C ATOM 1073 O PRO A 66 267.430 124.784 402.855 1.00 0.00 O ATOM 1074 CB PRO A 66 267.376 124.624 400.033 1.00 0.00 C ATOM 1075 CG PRO A 66 267.112 123.165 399.649 1.00 0.00 C ATOM 1076 CD PRO A 66 268.517 122.636 399.354 1.00 0.00 C ATOM 0 HA PRO A 66 269.272 125.504 400.823 1.00 0.00 H new ATOM 0 HB2 PRO A 66 266.564 125.030 400.636 1.00 0.00 H new ATOM 0 HB3 PRO A 66 267.466 125.258 399.151 1.00 0.00 H new ATOM 0 HG2 PRO A 66 266.633 122.614 400.458 1.00 0.00 H new ATOM 0 HG3 PRO A 66 266.459 123.087 398.780 1.00 0.00 H new ATOM 0 HD2 PRO A 66 268.609 121.585 399.629 1.00 0.00 H new ATOM 0 HD3 PRO A 66 268.751 122.710 398.292 1.00 0.00 H new ATOM 1084 N ALA A 67 269.420 123.762 403.101 1.00 0.00 N ATOM 1085 CA ALA A 67 269.295 123.504 404.538 1.00 0.00 C ATOM 1086 C ALA A 67 270.490 123.983 405.376 1.00 0.00 C ATOM 1087 O ALA A 67 270.230 124.647 406.379 1.00 0.00 O ATOM 1088 CB ALA A 67 268.902 122.031 404.821 1.00 0.00 C ATOM 0 H ALA A 67 270.304 123.436 402.710 1.00 0.00 H new ATOM 0 HA ALA A 67 268.470 124.129 404.880 1.00 0.00 H new ATOM 0 HB1 ALA A 67 268.819 121.877 405.897 1.00 0.00 H new ATOM 0 HB2 ALA A 67 267.945 121.812 404.348 1.00 0.00 H new ATOM 0 HB3 ALA A 67 269.666 121.367 404.418 1.00 0.00 H new ATOM 1094 N PRO A 68 271.797 123.723 405.090 1.00 0.00 N ATOM 1095 CA PRO A 68 272.936 124.115 405.939 1.00 0.00 C ATOM 1096 C PRO A 68 273.263 125.612 406.190 1.00 0.00 C ATOM 1097 O PRO A 68 273.964 125.764 407.193 1.00 0.00 O ATOM 1098 CB PRO A 68 274.140 123.364 405.316 1.00 0.00 C ATOM 1099 CG PRO A 68 273.512 122.193 404.566 1.00 0.00 C ATOM 1100 CD PRO A 68 272.239 122.830 404.024 1.00 0.00 C ATOM 0 HA PRO A 68 272.667 123.848 406.961 1.00 0.00 H new ATOM 0 HB2 PRO A 68 274.705 124.009 404.643 1.00 0.00 H new ATOM 0 HB3 PRO A 68 274.833 123.018 406.083 1.00 0.00 H new ATOM 0 HG2 PRO A 68 274.157 121.822 403.769 1.00 0.00 H new ATOM 0 HG3 PRO A 68 273.301 121.350 405.224 1.00 0.00 H new ATOM 0 HD2 PRO A 68 272.431 123.377 403.101 1.00 0.00 H new ATOM 0 HD3 PRO A 68 271.484 122.078 403.797 1.00 0.00 H new ATOM 1108 N PRO A 69 272.911 126.718 405.464 1.00 0.00 N ATOM 1109 CA PRO A 69 273.335 128.096 405.776 1.00 0.00 C ATOM 1110 C PRO A 69 272.751 128.704 407.070 1.00 0.00 C ATOM 1111 O PRO A 69 271.842 129.529 407.010 1.00 0.00 O ATOM 1112 CB PRO A 69 272.962 128.908 404.510 1.00 0.00 C ATOM 1113 CG PRO A 69 272.829 127.862 403.403 1.00 0.00 C ATOM 1114 CD PRO A 69 272.259 126.668 404.158 1.00 0.00 C ATOM 0 HA PRO A 69 274.401 128.115 406.000 1.00 0.00 H new ATOM 0 HB2 PRO A 69 272.030 129.456 404.651 1.00 0.00 H new ATOM 0 HB3 PRO A 69 273.731 129.643 404.270 1.00 0.00 H new ATOM 0 HG2 PRO A 69 272.165 128.195 402.606 1.00 0.00 H new ATOM 0 HG3 PRO A 69 273.790 127.632 402.942 1.00 0.00 H new ATOM 0 HD2 PRO A 69 271.175 126.738 404.252 1.00 0.00 H new ATOM 0 HD3 PRO A 69 272.474 125.732 403.642 1.00 0.00 H new ATOM 1122 N ALA A 70 273.323 128.313 408.243 1.00 0.00 N ATOM 1123 CA ALA A 70 272.978 128.745 409.595 1.00 0.00 C ATOM 1124 C ALA A 70 273.614 130.071 410.053 1.00 0.00 C ATOM 1125 O ALA A 70 272.868 130.848 410.644 1.00 0.00 O ATOM 1126 CB ALA A 70 273.189 127.595 410.601 1.00 0.00 C ATOM 0 H ALA A 70 274.089 127.640 408.251 1.00 0.00 H new ATOM 0 HA ALA A 70 271.916 128.989 409.563 1.00 0.00 H new ATOM 0 HB1 ALA A 70 272.927 127.935 411.603 1.00 0.00 H new ATOM 0 HB2 ALA A 70 272.556 126.751 410.327 1.00 0.00 H new ATOM 0 HB3 ALA A 70 274.234 127.285 410.585 1.00 0.00 H new ATOM 1132 N PRO A 71 274.925 130.430 409.873 1.00 0.00 N ATOM 1133 CA PRO A 71 275.499 131.767 410.155 1.00 0.00 C ATOM 1134 C PRO A 71 274.861 132.995 409.447 1.00 0.00 C ATOM 1135 O PRO A 71 274.851 134.008 410.142 1.00 0.00 O ATOM 1136 CB PRO A 71 277.000 131.621 409.821 1.00 0.00 C ATOM 1137 CG PRO A 71 277.270 130.123 409.961 1.00 0.00 C ATOM 1138 CD PRO A 71 275.973 129.499 409.446 1.00 0.00 C ATOM 0 HA PRO A 71 275.289 132.016 411.195 1.00 0.00 H new ATOM 0 HB2 PRO A 71 277.220 131.973 408.813 1.00 0.00 H new ATOM 0 HB3 PRO A 71 277.619 132.203 410.504 1.00 0.00 H new ATOM 0 HG2 PRO A 71 278.132 129.810 409.372 1.00 0.00 H new ATOM 0 HG3 PRO A 71 277.472 129.843 410.995 1.00 0.00 H new ATOM 0 HD2 PRO A 71 275.989 129.389 408.362 1.00 0.00 H new ATOM 0 HD3 PRO A 71 275.816 128.505 409.865 1.00 0.00 H new ATOM 1146 N PRO A 72 274.390 133.062 408.167 1.00 0.00 N ATOM 1147 CA PRO A 72 273.629 134.167 407.564 1.00 0.00 C ATOM 1148 C PRO A 72 272.232 134.385 408.224 1.00 0.00 C ATOM 1149 O PRO A 72 271.711 133.516 408.923 1.00 0.00 O ATOM 1150 CB PRO A 72 273.505 133.800 406.070 1.00 0.00 C ATOM 1151 CG PRO A 72 273.597 132.288 406.083 1.00 0.00 C ATOM 1152 CD PRO A 72 274.623 132.036 407.166 1.00 0.00 C ATOM 0 HA PRO A 72 274.142 135.117 407.715 1.00 0.00 H new ATOM 0 HB2 PRO A 72 272.561 134.143 405.647 1.00 0.00 H new ATOM 0 HB3 PRO A 72 274.302 134.248 405.477 1.00 0.00 H new ATOM 0 HG2 PRO A 72 272.638 131.824 406.315 1.00 0.00 H new ATOM 0 HG3 PRO A 72 273.917 131.892 405.119 1.00 0.00 H new ATOM 0 HD2 PRO A 72 274.508 131.039 407.592 1.00 0.00 H new ATOM 0 HD3 PRO A 72 275.636 132.098 406.769 1.00 0.00 H new ATOM 1160 N LEU A 73 271.608 135.565 408.015 1.00 0.00 N ATOM 1161 CA LEU A 73 270.285 135.929 408.501 1.00 0.00 C ATOM 1162 C LEU A 73 269.340 135.922 407.307 1.00 0.00 C ATOM 1163 O LEU A 73 269.697 136.470 406.264 1.00 0.00 O ATOM 1164 CB LEU A 73 270.320 137.348 409.148 1.00 0.00 C ATOM 1165 CG LEU A 73 268.995 137.844 409.798 1.00 0.00 C ATOM 1166 CD1 LEU A 73 268.556 136.994 411.007 1.00 0.00 C ATOM 1167 CD2 LEU A 73 269.081 139.326 410.205 1.00 0.00 C ATOM 0 H LEU A 73 272.044 136.314 407.477 1.00 0.00 H new ATOM 0 HA LEU A 73 269.950 135.222 409.260 1.00 0.00 H new ATOM 0 HB2 LEU A 73 271.099 137.357 409.910 1.00 0.00 H new ATOM 0 HB3 LEU A 73 270.615 138.066 408.382 1.00 0.00 H new ATOM 0 HG LEU A 73 268.234 137.730 409.026 1.00 0.00 H new ATOM 0 HD11 LEU A 73 267.626 137.392 411.414 1.00 0.00 H new ATOM 0 HD12 LEU A 73 268.401 135.963 410.690 1.00 0.00 H new ATOM 0 HD13 LEU A 73 269.330 137.025 411.774 1.00 0.00 H new ATOM 0 HD21 LEU A 73 268.137 139.635 410.655 1.00 0.00 H new ATOM 0 HD22 LEU A 73 269.888 139.459 410.926 1.00 0.00 H new ATOM 0 HD23 LEU A 73 269.279 139.935 409.323 1.00 0.00 H new ATOM 1179 N THR A 74 268.126 135.320 407.481 1.00 0.00 N ATOM 1180 CA THR A 74 266.939 135.139 406.625 1.00 0.00 C ATOM 1181 C THR A 74 266.866 135.750 405.224 1.00 0.00 C ATOM 1182 O THR A 74 266.590 136.936 405.069 1.00 0.00 O ATOM 1183 CB THR A 74 265.681 135.480 407.431 1.00 0.00 C ATOM 1184 OG1 THR A 74 265.596 134.562 408.514 1.00 0.00 O ATOM 1185 CG2 THR A 74 264.350 135.389 406.651 1.00 0.00 C ATOM 0 H THR A 74 267.943 134.881 408.383 1.00 0.00 H new ATOM 0 HA THR A 74 267.029 134.087 406.355 1.00 0.00 H new ATOM 0 HB THR A 74 265.793 136.521 407.733 1.00 0.00 H new ATOM 0 HG1 THR A 74 265.089 133.772 408.234 1.00 0.00 H new ATOM 0 HG21 THR A 74 263.523 135.649 407.311 1.00 0.00 H new ATOM 0 HG22 THR A 74 264.374 136.081 405.809 1.00 0.00 H new ATOM 0 HG23 THR A 74 264.213 134.373 406.282 1.00 0.00 H new ATOM 1193 N LEU A 75 267.094 134.920 404.167 1.00 0.00 N ATOM 1194 CA LEU A 75 267.045 135.344 402.759 1.00 0.00 C ATOM 1195 C LEU A 75 265.794 134.856 402.024 1.00 0.00 C ATOM 1196 O LEU A 75 265.472 135.302 400.921 1.00 0.00 O ATOM 1197 CB LEU A 75 268.334 134.985 401.971 1.00 0.00 C ATOM 1198 CG LEU A 75 269.639 135.483 402.649 1.00 0.00 C ATOM 1199 CD1 LEU A 75 270.902 134.996 401.921 1.00 0.00 C ATOM 1200 CD2 LEU A 75 269.700 137.017 402.803 1.00 0.00 C ATOM 0 H LEU A 75 267.318 133.932 404.282 1.00 0.00 H new ATOM 0 HA LEU A 75 266.985 136.432 402.799 1.00 0.00 H new ATOM 0 HB2 LEU A 75 268.387 133.903 401.852 1.00 0.00 H new ATOM 0 HB3 LEU A 75 268.269 135.413 400.971 1.00 0.00 H new ATOM 0 HG LEU A 75 269.613 135.044 403.646 1.00 0.00 H new ATOM 0 HD11 LEU A 75 271.786 135.372 402.435 1.00 0.00 H new ATOM 0 HD12 LEU A 75 270.921 133.906 401.915 1.00 0.00 H new ATOM 0 HD13 LEU A 75 270.895 135.364 400.895 1.00 0.00 H new ATOM 0 HD21 LEU A 75 270.637 137.297 403.284 1.00 0.00 H new ATOM 0 HD22 LEU A 75 269.643 137.484 401.820 1.00 0.00 H new ATOM 0 HD23 LEU A 75 268.863 137.355 403.415 1.00 0.00 H new ATOM 1212 N SER A 76 265.071 133.886 402.630 1.00 0.00 N ATOM 1213 CA SER A 76 263.881 133.212 402.094 1.00 0.00 C ATOM 1214 C SER A 76 263.504 132.143 403.087 1.00 0.00 C ATOM 1215 O SER A 76 263.684 130.950 402.851 1.00 0.00 O ATOM 1216 CB SER A 76 263.955 132.704 400.629 1.00 0.00 C ATOM 1217 OG SER A 76 263.742 133.775 399.718 1.00 0.00 O ATOM 0 H SER A 76 265.321 133.539 403.556 1.00 0.00 H new ATOM 0 HA SER A 76 263.095 133.960 401.990 1.00 0.00 H new ATOM 0 HB2 SER A 76 264.929 132.250 400.444 1.00 0.00 H new ATOM 0 HB3 SER A 76 263.206 131.928 400.469 1.00 0.00 H new ATOM 0 HG SER A 76 264.214 134.573 400.036 1.00 0.00 H new ATOM 1223 N LYS A 77 262.995 132.610 404.270 1.00 0.00 N ATOM 1224 CA LYS A 77 262.612 131.879 405.491 1.00 0.00 C ATOM 1225 C LYS A 77 263.838 131.698 406.386 1.00 0.00 C ATOM 1226 O LYS A 77 264.012 132.354 407.416 1.00 0.00 O ATOM 1227 CB LYS A 77 261.835 130.546 405.285 1.00 0.00 C ATOM 1228 CG LYS A 77 260.559 130.694 404.437 1.00 0.00 C ATOM 1229 CD LYS A 77 259.742 129.391 404.355 1.00 0.00 C ATOM 1230 CE LYS A 77 260.451 128.268 403.582 1.00 0.00 C ATOM 1231 NZ LYS A 77 259.603 127.055 403.511 1.00 0.00 N1+ ATOM 0 H LYS A 77 262.832 133.610 404.389 1.00 0.00 H new ATOM 0 HA LYS A 77 261.872 132.509 405.985 1.00 0.00 H new ATOM 0 HB2 LYS A 77 262.495 129.822 404.808 1.00 0.00 H new ATOM 0 HB3 LYS A 77 261.567 130.139 406.260 1.00 0.00 H new ATOM 0 HG2 LYS A 77 259.936 131.482 404.861 1.00 0.00 H new ATOM 0 HG3 LYS A 77 260.832 131.010 403.430 1.00 0.00 H new ATOM 0 HD2 LYS A 77 259.525 129.044 405.365 1.00 0.00 H new ATOM 0 HD3 LYS A 77 258.785 129.601 403.877 1.00 0.00 H new ATOM 0 HE2 LYS A 77 260.689 128.609 402.574 1.00 0.00 H new ATOM 0 HE3 LYS A 77 261.396 128.027 404.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 260.104 126.311 402.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 259.397 126.719 404.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 258.712 127.282 403.026 1.00 0.00 H new ATOM 1245 N LEU A 78 264.759 130.831 405.909 1.00 0.00 N ATOM 1246 CA LEU A 78 266.103 130.567 406.398 1.00 0.00 C ATOM 1247 C LEU A 78 267.011 131.171 405.327 1.00 0.00 C ATOM 1248 O LEU A 78 267.684 132.170 405.549 1.00 0.00 O ATOM 1249 CB LEU A 78 266.387 129.073 406.762 1.00 0.00 C ATOM 1250 CG LEU A 78 265.794 127.957 405.865 1.00 0.00 C ATOM 1251 CD1 LEU A 78 266.663 126.689 405.939 1.00 0.00 C ATOM 1252 CD2 LEU A 78 264.349 127.593 406.256 1.00 0.00 C ATOM 0 H LEU A 78 264.546 130.252 405.097 1.00 0.00 H new ATOM 0 HA LEU A 78 266.283 131.025 407.371 1.00 0.00 H new ATOM 0 HB2 LEU A 78 267.469 128.939 406.783 1.00 0.00 H new ATOM 0 HB3 LEU A 78 266.026 128.907 407.777 1.00 0.00 H new ATOM 0 HG LEU A 78 265.783 128.350 404.848 1.00 0.00 H new ATOM 0 HD11 LEU A 78 266.232 125.915 405.303 1.00 0.00 H new ATOM 0 HD12 LEU A 78 267.672 126.919 405.598 1.00 0.00 H new ATOM 0 HD13 LEU A 78 266.701 126.333 406.969 1.00 0.00 H new ATOM 0 HD21 LEU A 78 263.981 126.807 405.597 1.00 0.00 H new ATOM 0 HD22 LEU A 78 264.329 127.241 407.287 1.00 0.00 H new ATOM 0 HD23 LEU A 78 263.714 128.473 406.161 1.00 0.00 H new ATOM 1264 N GLU A 79 266.979 130.666 404.078 1.00 0.00 N ATOM 1265 CA GLU A 79 267.655 131.347 402.976 1.00 0.00 C ATOM 1266 C GLU A 79 267.038 131.063 401.636 1.00 0.00 C ATOM 1267 O GLU A 79 267.210 131.846 400.707 1.00 0.00 O ATOM 1268 CB GLU A 79 269.198 131.333 402.931 1.00 0.00 C ATOM 1269 CG GLU A 79 269.875 130.067 402.371 1.00 0.00 C ATOM 1270 CD GLU A 79 269.366 128.805 403.072 1.00 0.00 C ATOM 1271 OE1 GLU A 79 268.869 127.894 402.358 1.00 0.00 O ATOM 1272 OE2 GLU A 79 269.464 128.734 404.327 1.00 0.00 O1- ATOM 0 H GLU A 79 266.499 129.804 403.818 1.00 0.00 H new ATOM 0 HA GLU A 79 267.457 132.387 403.237 1.00 0.00 H new ATOM 0 HB2 GLU A 79 269.526 132.184 402.334 1.00 0.00 H new ATOM 0 HB3 GLU A 79 269.567 131.493 403.944 1.00 0.00 H new ATOM 0 HG2 GLU A 79 269.683 129.993 401.301 1.00 0.00 H new ATOM 0 HG3 GLU A 79 270.955 130.144 402.496 1.00 0.00 H new ATOM 1279 N HIS A 80 266.260 129.966 401.546 1.00 0.00 N ATOM 1280 CA HIS A 80 265.408 129.542 400.460 1.00 0.00 C ATOM 1281 C HIS A 80 264.926 128.207 400.984 1.00 0.00 C ATOM 1282 O HIS A 80 265.225 127.939 402.153 1.00 0.00 O ATOM 1283 CB HIS A 80 266.097 129.400 399.065 1.00 0.00 C ATOM 1284 CG HIS A 80 265.280 128.698 397.998 1.00 0.00 C ATOM 1285 ND1 HIS A 80 263.966 128.988 397.690 1.00 0.00 N ATOM 1286 CD2 HIS A 80 265.621 127.652 397.195 1.00 0.00 C ATOM 1287 CE1 HIS A 80 263.581 128.108 396.733 1.00 0.00 C ATOM 1288 NE2 HIS A 80 264.549 127.279 396.403 1.00 0.00 N ATOM 0 H HIS A 80 266.222 129.301 402.318 1.00 0.00 H new ATOM 0 HA HIS A 80 264.636 130.278 400.237 1.00 0.00 H new ATOM 0 HB2 HIS A 80 266.354 130.396 398.704 1.00 0.00 H new ATOM 0 HB3 HIS A 80 267.033 128.857 399.196 1.00 0.00 H new ATOM 0 HD2 HIS A 80 266.592 127.180 397.179 1.00 0.00 H new ATOM 0 HE1 HIS A 80 262.595 128.089 396.293 1.00 0.00 H new ATOM 0 HE2 HIS A 80 264.516 126.527 395.715 1.00 0.00 H new TER 1296 HIS A 80