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 34 TYR OH : rot -115:sc= 2.18 USER MOD Set 1.2: A 49 ASN :FLIP amide:sc= 0.166 F(o=0.99,f=2.3) USER MOD Set 2.1: A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 0 MET N :NH3+ 178:sc= 0.0265 (180deg=-0.000859) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot -26:sc= 0.465 USER MOD Single : A 14 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0306) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 HIS :FLIP no HD1:sc= -0.75 F(o=-2!,f=-0.75) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 HIS :FLIP no HD1:sc= -0.0556 F(o=-0.57,f=-0.056) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 64:sc= 1.64 USER MOD Single : A 44 SER OG : rot 180:sc= 0.0703 USER MOD Single : A 45 SER OG : rot -40:sc= -0.0202 USER MOD Single : A 47 HIS : no HD1:sc= 0 X(o=0,f=-0.038) USER MOD Single : A 48 THR OG1 : rot -2:sc= 0.236 USER MOD Single : A 51 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0511) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ -129:sc= 0 (180deg=-1.37!) USER MOD Single : A 60 TYR OH : rot -164:sc= 1.31 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0.00817 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 HIS : no HE2:sc= 0.0772 K(o=0.077,f=-0.56) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 282.066 121.841 406.638 1.00 0.00 N ATOM 2 CA MET A 0 281.743 122.185 405.278 1.00 0.00 C ATOM 3 C MET A 0 282.854 121.694 404.373 1.00 0.00 C ATOM 4 O MET A 0 282.806 121.854 403.152 1.00 0.00 O ATOM 5 CB MET A 0 281.398 123.694 405.124 1.00 0.00 C ATOM 6 CG MET A 0 279.912 124.000 405.445 1.00 0.00 C ATOM 7 SD MET A 0 279.467 123.859 407.208 1.00 0.00 S ATOM 8 CE MET A 0 277.729 124.337 406.989 1.00 0.00 C ATOM 0 H1 MET A 0 281.326 122.203 407.273 1.00 0.00 H new ATOM 0 H2 MET A 0 282.125 120.807 406.730 1.00 0.00 H new ATOM 0 H3 MET A 0 282.980 122.264 406.895 1.00 0.00 H new ATOM 0 HA MET A 0 280.828 121.679 404.969 1.00 0.00 H new ATOM 0 HB2 MET A 0 282.037 124.279 405.786 1.00 0.00 H new ATOM 0 HB3 MET A 0 281.619 124.012 404.105 1.00 0.00 H new ATOM 0 HG2 MET A 0 279.682 125.010 405.106 1.00 0.00 H new ATOM 0 HG3 MET A 0 279.283 123.320 404.870 1.00 0.00 H new ATOM 0 HE1 MET A 0 277.224 124.327 407.955 1.00 0.00 H new ATOM 0 HE2 MET A 0 277.678 125.339 406.564 1.00 0.00 H new ATOM 0 HE3 MET A 0 277.240 123.632 406.317 1.00 0.00 H new ATOM 18 N GLY A 1 283.876 121.023 404.972 1.00 0.00 N ATOM 19 CA GLY A 1 285.033 120.344 404.359 1.00 0.00 C ATOM 20 C GLY A 1 286.032 121.191 403.594 1.00 0.00 C ATOM 21 O GLY A 1 287.223 121.230 403.889 1.00 0.00 O ATOM 0 H GLY A 1 283.906 120.941 405.988 1.00 0.00 H new ATOM 0 HA2 GLY A 1 285.573 119.824 405.150 1.00 0.00 H new ATOM 0 HA3 GLY A 1 284.652 119.582 403.679 1.00 0.00 H new ATOM 25 N ILE A 2 285.542 121.894 402.552 1.00 0.00 N ATOM 26 CA ILE A 2 286.301 122.806 401.711 1.00 0.00 C ATOM 27 C ILE A 2 285.585 124.141 401.783 1.00 0.00 C ATOM 28 O ILE A 2 284.354 124.204 401.782 1.00 0.00 O ATOM 29 CB ILE A 2 286.408 122.404 400.245 1.00 0.00 C ATOM 30 CG1 ILE A 2 286.472 120.863 400.090 1.00 0.00 C ATOM 31 CG2 ILE A 2 287.589 123.204 399.634 1.00 0.00 C ATOM 32 CD1 ILE A 2 286.937 120.388 398.716 1.00 0.00 C ATOM 0 H ILE A 2 284.563 121.830 402.272 1.00 0.00 H new ATOM 0 HA ILE A 2 287.325 122.818 402.084 1.00 0.00 H new ATOM 0 HB ILE A 2 285.517 122.666 399.675 1.00 0.00 H new ATOM 0 HG12 ILE A 2 287.145 120.461 400.847 1.00 0.00 H new ATOM 0 HG13 ILE A 2 285.484 120.448 400.290 1.00 0.00 H new ATOM 0 HG21 ILE A 2 287.699 122.943 398.581 1.00 0.00 H new ATOM 0 HG22 ILE A 2 287.391 124.272 399.725 1.00 0.00 H new ATOM 0 HG23 ILE A 2 288.508 122.959 400.166 1.00 0.00 H new ATOM 0 HD11 ILE A 2 286.953 119.298 398.694 1.00 0.00 H new ATOM 0 HD12 ILE A 2 286.252 120.756 397.953 1.00 0.00 H new ATOM 0 HD13 ILE A 2 287.939 120.770 398.519 1.00 0.00 H new ATOM 44 N ASP A 3 286.308 125.285 401.813 1.00 0.00 N ATOM 45 CA ASP A 3 285.668 126.574 402.003 1.00 0.00 C ATOM 46 C ASP A 3 285.045 127.252 400.809 1.00 0.00 C ATOM 47 O ASP A 3 285.499 128.298 400.364 1.00 0.00 O ATOM 48 CB ASP A 3 286.712 127.508 402.653 1.00 0.00 C ATOM 49 CG ASP A 3 286.230 128.737 403.407 1.00 0.00 C ATOM 50 OD1 ASP A 3 287.048 129.678 403.519 1.00 0.00 O ATOM 51 OD2 ASP A 3 285.051 128.804 403.831 1.00 0.00 O1- ATOM 0 H ASP A 3 287.322 125.325 401.708 1.00 0.00 H new ATOM 0 HA ASP A 3 284.797 126.368 402.624 1.00 0.00 H new ATOM 0 HB2 ASP A 3 287.305 126.909 403.344 1.00 0.00 H new ATOM 0 HB3 ASP A 3 287.386 127.847 401.866 1.00 0.00 H new ATOM 56 N TYR A 4 283.940 126.660 400.304 1.00 0.00 N ATOM 57 CA TYR A 4 282.846 127.234 399.535 1.00 0.00 C ATOM 58 C TYR A 4 281.785 128.060 400.260 1.00 0.00 C ATOM 59 O TYR A 4 281.596 129.247 399.992 1.00 0.00 O ATOM 60 CB TYR A 4 282.292 126.382 398.382 1.00 0.00 C ATOM 61 CG TYR A 4 283.302 125.429 397.915 1.00 0.00 C ATOM 62 CD1 TYR A 4 283.226 124.083 398.215 1.00 0.00 C ATOM 63 CD2 TYR A 4 284.290 125.907 397.101 1.00 0.00 C ATOM 64 CE1 TYR A 4 284.171 123.222 397.714 1.00 0.00 C ATOM 65 CE2 TYR A 4 285.213 125.039 396.607 1.00 0.00 C ATOM 66 CZ TYR A 4 285.216 123.711 396.964 1.00 0.00 C ATOM 67 OH TYR A 4 286.177 122.835 396.424 1.00 0.00 O ATOM 0 H TYR A 4 283.790 125.661 400.448 1.00 0.00 H new ATOM 0 HA TYR A 4 283.428 128.017 399.050 1.00 0.00 H new ATOM 0 HB2 TYR A 4 281.403 125.845 398.714 1.00 0.00 H new ATOM 0 HB3 TYR A 4 281.986 127.028 397.559 1.00 0.00 H new ATOM 0 HD1 TYR A 4 282.428 123.710 398.840 1.00 0.00 H new ATOM 0 HD2 TYR A 4 284.337 126.957 396.854 1.00 0.00 H new ATOM 0 HE1 TYR A 4 284.094 122.162 397.908 1.00 0.00 H new ATOM 0 HE2 TYR A 4 285.962 125.401 395.918 1.00 0.00 H new ATOM 0 HH TYR A 4 286.843 123.349 395.922 1.00 0.00 H new ATOM 77 N SER A 5 280.970 127.363 401.138 1.00 0.00 N ATOM 78 CA SER A 5 279.651 127.799 401.649 1.00 0.00 C ATOM 79 C SER A 5 279.541 129.136 402.374 1.00 0.00 C ATOM 80 O SER A 5 278.716 129.940 401.955 1.00 0.00 O ATOM 81 CB SER A 5 278.857 126.690 402.424 1.00 0.00 C ATOM 82 OG SER A 5 278.916 125.426 401.758 1.00 0.00 O ATOM 0 H SER A 5 281.243 126.453 401.509 1.00 0.00 H new ATOM 0 HA SER A 5 279.170 127.991 400.690 1.00 0.00 H new ATOM 0 HB2 SER A 5 279.264 126.589 403.430 1.00 0.00 H new ATOM 0 HB3 SER A 5 277.816 126.996 402.530 1.00 0.00 H new ATOM 0 HG SER A 5 278.411 124.762 402.272 1.00 0.00 H new ATOM 88 N GLY A 6 280.418 129.522 403.363 1.00 0.00 N ATOM 89 CA GLY A 6 280.548 130.863 403.916 1.00 0.00 C ATOM 90 C GLY A 6 281.044 131.890 402.929 1.00 0.00 C ATOM 91 O GLY A 6 280.782 133.065 403.050 1.00 0.00 O ATOM 0 H GLY A 6 281.065 128.861 403.793 1.00 0.00 H new ATOM 0 HA2 GLY A 6 279.579 131.182 404.300 1.00 0.00 H new ATOM 0 HA3 GLY A 6 281.232 130.830 404.764 1.00 0.00 H new ATOM 95 N LEU A 7 281.744 131.530 401.836 1.00 0.00 N ATOM 96 CA LEU A 7 282.201 132.465 400.798 1.00 0.00 C ATOM 97 C LEU A 7 281.068 132.864 399.883 1.00 0.00 C ATOM 98 O LEU A 7 280.859 134.046 399.602 1.00 0.00 O ATOM 99 CB LEU A 7 283.534 132.127 400.070 1.00 0.00 C ATOM 100 CG LEU A 7 284.684 131.895 401.086 1.00 0.00 C ATOM 101 CD1 LEU A 7 284.397 130.587 401.754 1.00 0.00 C ATOM 102 CD2 LEU A 7 286.132 131.644 400.667 1.00 0.00 C ATOM 0 H LEU A 7 282.011 130.563 401.649 1.00 0.00 H new ATOM 0 HA LEU A 7 282.509 133.352 401.352 1.00 0.00 H new ATOM 0 HB2 LEU A 7 283.401 131.235 399.457 1.00 0.00 H new ATOM 0 HB3 LEU A 7 283.800 132.941 399.395 1.00 0.00 H new ATOM 0 HG LEU A 7 284.668 132.853 401.606 1.00 0.00 H new ATOM 0 HD11 LEU A 7 285.178 130.372 402.483 1.00 0.00 H new ATOM 0 HD12 LEU A 7 283.433 130.641 402.260 1.00 0.00 H new ATOM 0 HD13 LEU A 7 284.370 129.795 401.006 1.00 0.00 H new ATOM 0 HD21 LEU A 7 286.750 131.511 401.555 1.00 0.00 H new ATOM 0 HD22 LEU A 7 286.182 130.745 400.052 1.00 0.00 H new ATOM 0 HD23 LEU A 7 286.498 132.496 400.095 1.00 0.00 H new ATOM 114 N ARG A 8 280.246 131.852 399.461 1.00 0.00 N ATOM 115 CA ARG A 8 278.992 132.092 398.743 1.00 0.00 C ATOM 116 C ARG A 8 277.878 132.710 399.556 1.00 0.00 C ATOM 117 O ARG A 8 277.187 133.608 399.083 1.00 0.00 O ATOM 118 CB ARG A 8 278.486 130.893 397.862 1.00 0.00 C ATOM 119 CG ARG A 8 279.207 129.537 398.062 1.00 0.00 C ATOM 120 CD ARG A 8 278.815 128.481 397.005 1.00 0.00 C ATOM 121 NE ARG A 8 279.556 127.143 397.166 1.00 0.00 N ATOM 122 CZ ARG A 8 278.934 126.132 397.845 1.00 0.00 C ATOM 123 NH1 ARG A 8 277.903 126.381 398.699 1.00 0.00 N1+ ATOM 124 NH2 ARG A 8 279.363 124.858 397.622 1.00 0.00 N ATOM 0 H ARG A 8 280.449 130.865 399.617 1.00 0.00 H new ATOM 0 HA ARG A 8 279.297 132.869 398.042 1.00 0.00 H new ATOM 0 HB2 ARG A 8 277.424 130.748 398.061 1.00 0.00 H new ATOM 0 HB3 ARG A 8 278.578 131.177 396.814 1.00 0.00 H new ATOM 0 HG2 ARG A 8 280.285 129.696 398.025 1.00 0.00 H new ATOM 0 HG3 ARG A 8 278.975 129.152 399.055 1.00 0.00 H new ATOM 0 HD2 ARG A 8 277.742 128.301 397.064 1.00 0.00 H new ATOM 0 HD3 ARG A 8 279.017 128.881 396.012 1.00 0.00 H new ATOM 0 HE ARG A 8 280.489 127.013 396.776 1.00 0.00 H new ATOM 0 HH11 ARG A 8 277.580 127.338 398.843 1.00 0.00 H new ATOM 0 HH12 ARG A 8 277.454 125.611 399.195 1.00 0.00 H new ATOM 0 HH21 ARG A 8 280.125 124.684 396.966 1.00 0.00 H new ATOM 0 HH22 ARG A 8 278.922 124.079 398.111 1.00 0.00 H new ATOM 138 N THR A 9 277.679 132.250 400.811 1.00 0.00 N ATOM 139 CA THR A 9 276.650 132.775 401.714 1.00 0.00 C ATOM 140 C THR A 9 276.997 134.041 402.490 1.00 0.00 C ATOM 141 O THR A 9 276.094 134.752 402.927 1.00 0.00 O ATOM 142 CB THR A 9 275.947 131.655 402.468 1.00 0.00 C ATOM 143 OG1 THR A 9 274.552 131.893 402.612 1.00 0.00 O ATOM 144 CG2 THR A 9 276.521 131.264 403.845 1.00 0.00 C ATOM 0 H THR A 9 278.235 131.500 401.221 1.00 0.00 H new ATOM 0 HA THR A 9 275.881 133.209 401.075 1.00 0.00 H new ATOM 0 HB THR A 9 276.139 130.804 401.815 1.00 0.00 H new ATOM 0 HG1 THR A 9 274.380 132.857 402.585 1.00 0.00 H new ATOM 0 HG21 THR A 9 275.927 130.456 404.271 1.00 0.00 H new ATOM 0 HG22 THR A 9 277.553 130.933 403.728 1.00 0.00 H new ATOM 0 HG23 THR A 9 276.490 132.127 404.510 1.00 0.00 H new ATOM 152 N ILE A 10 278.309 134.369 402.684 1.00 0.00 N ATOM 153 CA ILE A 10 278.764 135.618 403.297 1.00 0.00 C ATOM 154 C ILE A 10 279.260 136.637 402.238 1.00 0.00 C ATOM 155 O ILE A 10 279.124 137.833 402.488 1.00 0.00 O ATOM 156 CB ILE A 10 279.760 135.396 404.475 1.00 0.00 C ATOM 157 CG1 ILE A 10 279.240 134.229 405.381 1.00 0.00 C ATOM 158 CG2 ILE A 10 279.999 136.678 405.294 1.00 0.00 C ATOM 159 CD1 ILE A 10 280.017 133.761 406.620 1.00 0.00 C ATOM 0 H ILE A 10 279.075 133.754 402.410 1.00 0.00 H new ATOM 0 HA ILE A 10 277.891 136.074 403.763 1.00 0.00 H new ATOM 0 HB ILE A 10 280.728 135.123 404.054 1.00 0.00 H new ATOM 0 HG12 ILE A 10 278.244 134.513 405.722 1.00 0.00 H new ATOM 0 HG13 ILE A 10 279.120 133.358 404.736 1.00 0.00 H new ATOM 0 HG21 ILE A 10 280.700 136.468 406.102 1.00 0.00 H new ATOM 0 HG22 ILE A 10 280.412 137.452 404.647 1.00 0.00 H new ATOM 0 HG23 ILE A 10 279.054 137.023 405.714 1.00 0.00 H new ATOM 0 HD11 ILE A 10 279.479 132.944 407.100 1.00 0.00 H new ATOM 0 HD12 ILE A 10 281.007 133.417 406.320 1.00 0.00 H new ATOM 0 HD13 ILE A 10 280.118 134.590 407.321 1.00 0.00 H new ATOM 171 N PHE A 11 279.884 136.281 401.050 1.00 0.00 N ATOM 172 CA PHE A 11 280.459 137.322 400.146 1.00 0.00 C ATOM 173 C PHE A 11 279.785 137.359 398.772 1.00 0.00 C ATOM 174 O PHE A 11 279.659 138.420 398.157 1.00 0.00 O ATOM 175 CB PHE A 11 282.031 137.319 400.051 1.00 0.00 C ATOM 176 CG PHE A 11 282.622 137.118 401.420 1.00 0.00 C ATOM 177 CD1 PHE A 11 282.655 138.112 402.381 1.00 0.00 C ATOM 178 CD2 PHE A 11 283.072 135.863 401.749 1.00 0.00 C ATOM 179 CE1 PHE A 11 283.126 137.822 403.649 1.00 0.00 C ATOM 180 CE2 PHE A 11 283.457 135.535 403.030 1.00 0.00 C ATOM 181 CZ PHE A 11 283.523 136.538 403.972 1.00 0.00 C ATOM 0 H PHE A 11 279.991 135.322 400.721 1.00 0.00 H new ATOM 0 HA PHE A 11 280.217 138.264 400.638 1.00 0.00 H new ATOM 0 HB2 PHE A 11 282.363 136.526 399.381 1.00 0.00 H new ATOM 0 HB3 PHE A 11 282.381 138.261 399.628 1.00 0.00 H new ATOM 0 HD1 PHE A 11 282.315 139.109 402.143 1.00 0.00 H new ATOM 0 HD2 PHE A 11 283.126 135.109 400.978 1.00 0.00 H new ATOM 0 HE1 PHE A 11 283.184 138.604 404.392 1.00 0.00 H new ATOM 0 HE2 PHE A 11 283.701 134.516 403.290 1.00 0.00 H new ATOM 0 HZ PHE A 11 283.886 136.320 404.966 1.00 0.00 H new ATOM 191 N GLY A 12 279.285 136.193 398.285 1.00 0.00 N ATOM 192 CA GLY A 12 278.393 136.107 397.121 1.00 0.00 C ATOM 193 C GLY A 12 278.879 135.389 395.878 1.00 0.00 C ATOM 194 O GLY A 12 279.008 134.167 395.852 1.00 0.00 O ATOM 0 H GLY A 12 279.497 135.285 398.699 1.00 0.00 H new ATOM 0 HA2 GLY A 12 277.474 135.619 397.445 1.00 0.00 H new ATOM 0 HA3 GLY A 12 278.129 137.124 396.832 1.00 0.00 H new ATOM 198 N GLU A 13 279.086 136.144 394.765 1.00 0.00 N ATOM 199 CA GLU A 13 279.318 135.703 393.384 1.00 0.00 C ATOM 200 C GLU A 13 280.523 134.827 393.032 1.00 0.00 C ATOM 201 O GLU A 13 280.398 133.874 392.266 1.00 0.00 O ATOM 202 CB GLU A 13 279.272 136.953 392.457 1.00 0.00 C ATOM 203 CG GLU A 13 279.146 136.659 390.947 1.00 0.00 C ATOM 204 CD GLU A 13 278.971 137.971 390.182 1.00 0.00 C ATOM 205 OE1 GLU A 13 279.910 138.809 390.223 1.00 0.00 O ATOM 206 OE2 GLU A 13 277.897 138.150 389.547 1.00 0.00 O1- ATOM 0 H GLU A 13 279.093 137.162 394.829 1.00 0.00 H new ATOM 0 HA GLU A 13 278.510 134.988 393.229 1.00 0.00 H new ATOM 0 HB2 GLU A 13 278.430 137.576 392.759 1.00 0.00 H new ATOM 0 HB3 GLU A 13 280.177 137.538 392.621 1.00 0.00 H new ATOM 0 HG2 GLU A 13 280.034 136.135 390.593 1.00 0.00 H new ATOM 0 HG3 GLU A 13 278.295 136.003 390.764 1.00 0.00 H new ATOM 213 N LYS A 14 281.718 135.125 393.576 1.00 0.00 N ATOM 214 CA LYS A 14 282.928 134.360 393.335 1.00 0.00 C ATOM 215 C LYS A 14 283.606 134.380 394.676 1.00 0.00 C ATOM 216 O LYS A 14 283.129 135.048 395.592 1.00 0.00 O ATOM 217 CB LYS A 14 283.831 134.975 392.219 1.00 0.00 C ATOM 218 CG LYS A 14 284.797 133.975 391.557 1.00 0.00 C ATOM 219 CD LYS A 14 285.852 134.633 390.652 1.00 0.00 C ATOM 220 CE LYS A 14 286.545 133.609 389.743 1.00 0.00 C ATOM 221 NZ LYS A 14 287.627 134.232 388.949 1.00 0.00 N1+ ATOM 0 H LYS A 14 281.858 135.918 394.202 1.00 0.00 H new ATOM 0 HA LYS A 14 282.718 133.356 392.966 1.00 0.00 H new ATOM 0 HB2 LYS A 14 283.192 135.408 391.449 1.00 0.00 H new ATOM 0 HB3 LYS A 14 284.411 135.792 392.648 1.00 0.00 H new ATOM 0 HG2 LYS A 14 285.305 133.406 392.336 1.00 0.00 H new ATOM 0 HG3 LYS A 14 284.219 133.263 390.967 1.00 0.00 H new ATOM 0 HD2 LYS A 14 285.378 135.400 390.039 1.00 0.00 H new ATOM 0 HD3 LYS A 14 286.598 135.134 391.269 1.00 0.00 H new ATOM 0 HE2 LYS A 14 286.956 132.802 390.350 1.00 0.00 H new ATOM 0 HE3 LYS A 14 285.812 133.162 389.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 288.017 133.533 388.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 287.246 135.040 388.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 288.380 134.562 389.586 1.00 0.00 H new ATOM 235 N LEU A 15 284.760 133.692 394.850 1.00 0.00 N ATOM 236 CA LEU A 15 285.506 133.635 396.098 1.00 0.00 C ATOM 237 C LEU A 15 286.283 134.932 396.326 1.00 0.00 C ATOM 238 O LEU A 15 286.850 135.450 395.363 1.00 0.00 O ATOM 239 CB LEU A 15 286.496 132.450 396.033 1.00 0.00 C ATOM 240 CG LEU A 15 285.760 131.113 395.909 1.00 0.00 C ATOM 241 CD1 LEU A 15 286.596 130.048 395.223 1.00 0.00 C ATOM 242 CD2 LEU A 15 285.316 130.587 397.271 1.00 0.00 C ATOM 0 H LEU A 15 285.195 133.154 394.100 1.00 0.00 H new ATOM 0 HA LEU A 15 284.807 133.502 396.923 1.00 0.00 H new ATOM 0 HB2 LEU A 15 287.165 132.579 395.182 1.00 0.00 H new ATOM 0 HB3 LEU A 15 287.117 132.443 396.929 1.00 0.00 H new ATOM 0 HG LEU A 15 284.885 131.318 395.293 1.00 0.00 H new ATOM 0 HD11 LEU A 15 286.026 129.121 395.162 1.00 0.00 H new ATOM 0 HD12 LEU A 15 286.856 130.381 394.218 1.00 0.00 H new ATOM 0 HD13 LEU A 15 287.507 129.876 395.796 1.00 0.00 H new ATOM 0 HD21 LEU A 15 284.797 129.637 397.143 1.00 0.00 H new ATOM 0 HD22 LEU A 15 286.189 130.441 397.907 1.00 0.00 H new ATOM 0 HD23 LEU A 15 284.644 131.307 397.738 1.00 0.00 H new ATOM 254 N PRO A 16 286.347 135.502 397.530 1.00 0.00 N ATOM 255 CA PRO A 16 287.005 136.771 397.783 1.00 0.00 C ATOM 256 C PRO A 16 288.505 136.626 398.028 1.00 0.00 C ATOM 257 O PRO A 16 289.015 135.522 398.155 1.00 0.00 O ATOM 258 CB PRO A 16 286.310 137.196 399.072 1.00 0.00 C ATOM 259 CG PRO A 16 286.174 135.888 399.864 1.00 0.00 C ATOM 260 CD PRO A 16 285.728 134.959 398.739 1.00 0.00 C ATOM 0 HA PRO A 16 286.931 137.466 396.946 1.00 0.00 H new ATOM 0 HB2 PRO A 16 286.897 137.935 399.618 1.00 0.00 H new ATOM 0 HB3 PRO A 16 285.337 137.646 398.872 1.00 0.00 H new ATOM 0 HG2 PRO A 16 287.113 135.574 400.319 1.00 0.00 H new ATOM 0 HG3 PRO A 16 285.439 135.958 400.666 1.00 0.00 H new ATOM 0 HD2 PRO A 16 286.052 133.934 398.922 1.00 0.00 H new ATOM 0 HD3 PRO A 16 284.642 134.939 398.651 1.00 0.00 H new ATOM 268 N GLU A 17 289.206 137.771 398.131 1.00 0.00 N ATOM 269 CA GLU A 17 290.636 137.949 398.348 1.00 0.00 C ATOM 270 C GLU A 17 291.224 137.380 399.660 1.00 0.00 C ATOM 271 O GLU A 17 290.544 137.283 400.685 1.00 0.00 O ATOM 272 CB GLU A 17 290.925 139.468 398.319 1.00 0.00 C ATOM 273 CG GLU A 17 290.536 140.198 397.011 1.00 0.00 C ATOM 274 CD GLU A 17 289.033 140.464 396.874 1.00 0.00 C ATOM 275 OE1 GLU A 17 288.439 140.006 395.860 1.00 0.00 O ATOM 276 OE2 GLU A 17 288.463 141.128 397.780 1.00 0.00 O1- ATOM 0 H GLU A 17 288.733 138.672 398.056 1.00 0.00 H new ATOM 0 HA GLU A 17 291.118 137.376 397.556 1.00 0.00 H new ATOM 0 HB2 GLU A 17 290.394 139.937 399.147 1.00 0.00 H new ATOM 0 HB3 GLU A 17 291.990 139.621 398.496 1.00 0.00 H new ATOM 0 HG2 GLU A 17 291.069 141.147 396.964 1.00 0.00 H new ATOM 0 HG3 GLU A 17 290.869 139.603 396.161 1.00 0.00 H new ATOM 283 N SER A 18 292.542 137.013 399.670 1.00 0.00 N ATOM 284 CA SER A 18 293.252 136.381 400.809 1.00 0.00 C ATOM 285 C SER A 18 293.316 137.087 402.166 1.00 0.00 C ATOM 286 O SER A 18 293.464 136.420 403.192 1.00 0.00 O ATOM 287 CB SER A 18 294.641 135.756 400.468 1.00 0.00 C ATOM 288 OG SER A 18 295.763 136.627 400.620 1.00 0.00 O ATOM 0 H SER A 18 293.148 137.156 398.862 1.00 0.00 H new ATOM 0 HA SER A 18 292.518 135.592 400.971 1.00 0.00 H new ATOM 0 HB2 SER A 18 294.793 134.883 401.103 1.00 0.00 H new ATOM 0 HB3 SER A 18 294.617 135.400 399.438 1.00 0.00 H new ATOM 0 HG SER A 18 296.584 136.146 400.386 1.00 0.00 H new ATOM 294 N HIS A 19 293.165 138.456 402.174 1.00 0.00 N ATOM 295 CA HIS A 19 293.111 139.349 403.339 1.00 0.00 C ATOM 296 C HIS A 19 291.900 139.048 404.203 1.00 0.00 C ATOM 297 O HIS A 19 292.034 138.847 405.401 1.00 0.00 O ATOM 298 CB HIS A 19 293.187 140.874 402.997 1.00 0.00 C ATOM 299 CG HIS A 19 292.035 141.436 402.192 1.00 0.00 C ATOM 300 ND1 HIS A 19 290.835 141.931 402.613 1.00 0.00 N flip ATOM 301 CD2 HIS A 19 291.992 141.478 400.816 1.00 0.00 C flip ATOM 302 CE1 HIS A 19 290.036 142.247 401.528 1.00 0.00 C flip ATOM 303 NE2 HIS A 19 290.770 141.968 400.476 1.00 0.00 N flip ATOM 0 H HIS A 19 293.074 138.976 401.301 1.00 0.00 H new ATOM 0 HA HIS A 19 294.019 139.134 403.903 1.00 0.00 H new ATOM 0 HB2 HIS A 19 293.257 141.432 403.931 1.00 0.00 H new ATOM 0 HB3 HIS A 19 294.110 141.056 402.447 1.00 0.00 H new ATOM 0 HD2 HIS A 19 292.778 141.179 400.138 1.00 0.00 H new ATOM 0 HE1 HIS A 19 289.029 142.638 401.543 1.00 0.00 H new ATOM 0 HE2 HIS A 19 290.459 142.103 399.514 1.00 0.00 H new ATOM 311 N ILE A 20 290.690 138.892 403.579 1.00 0.00 N ATOM 312 CA ILE A 20 289.533 138.291 404.256 1.00 0.00 C ATOM 313 C ILE A 20 289.592 136.778 404.345 1.00 0.00 C ATOM 314 O ILE A 20 289.274 136.238 405.407 1.00 0.00 O ATOM 315 CB ILE A 20 288.125 138.702 403.793 1.00 0.00 C ATOM 316 CG1 ILE A 20 287.786 138.431 402.315 1.00 0.00 C ATOM 317 CG2 ILE A 20 287.859 140.190 404.064 1.00 0.00 C ATOM 318 CD1 ILE A 20 286.264 138.346 402.177 1.00 0.00 C ATOM 0 H ILE A 20 290.509 139.177 402.616 1.00 0.00 H new ATOM 0 HA ILE A 20 289.658 138.741 405.241 1.00 0.00 H new ATOM 0 HB ILE A 20 287.481 138.054 404.387 1.00 0.00 H new ATOM 0 HG12 ILE A 20 288.180 139.227 401.683 1.00 0.00 H new ATOM 0 HG13 ILE A 20 288.249 137.502 401.984 1.00 0.00 H new ATOM 0 HG21 ILE A 20 286.856 140.448 403.725 1.00 0.00 H new ATOM 0 HG22 ILE A 20 287.942 140.386 405.133 1.00 0.00 H new ATOM 0 HG23 ILE A 20 288.590 140.794 403.526 1.00 0.00 H new ATOM 0 HD11 ILE A 20 286.003 138.154 401.136 1.00 0.00 H new ATOM 0 HD12 ILE A 20 285.887 137.536 402.801 1.00 0.00 H new ATOM 0 HD13 ILE A 20 285.817 139.288 402.496 1.00 0.00 H new ATOM 330 N PHE A 21 289.987 136.043 403.255 1.00 0.00 N ATOM 331 CA PHE A 21 289.969 134.577 403.211 1.00 0.00 C ATOM 332 C PHE A 21 290.899 133.889 404.255 1.00 0.00 C ATOM 333 O PHE A 21 290.389 133.108 405.053 1.00 0.00 O ATOM 334 CB PHE A 21 289.882 134.079 401.711 1.00 0.00 C ATOM 335 CG PHE A 21 289.501 132.637 401.399 1.00 0.00 C ATOM 336 CD1 PHE A 21 289.338 131.660 402.363 1.00 0.00 C ATOM 337 CD2 PHE A 21 289.354 132.228 400.071 1.00 0.00 C ATOM 338 CE1 PHE A 21 289.314 130.332 402.038 1.00 0.00 C ATOM 339 CE2 PHE A 21 289.186 130.877 399.765 1.00 0.00 C ATOM 340 CZ PHE A 21 289.235 129.916 400.751 1.00 0.00 C ATOM 0 H PHE A 21 290.324 136.470 402.392 1.00 0.00 H new ATOM 0 HA PHE A 21 289.045 134.171 403.624 1.00 0.00 H new ATOM 0 HB2 PHE A 21 289.164 134.720 401.200 1.00 0.00 H new ATOM 0 HB3 PHE A 21 290.854 134.262 401.254 1.00 0.00 H new ATOM 0 HD1 PHE A 21 289.227 131.952 403.397 1.00 0.00 H new ATOM 0 HD2 PHE A 21 289.370 132.961 399.278 1.00 0.00 H new ATOM 0 HE1 PHE A 21 289.359 129.596 402.827 1.00 0.00 H new ATOM 0 HE2 PHE A 21 289.015 130.580 398.741 1.00 0.00 H new ATOM 0 HZ PHE A 21 289.211 128.864 400.506 1.00 0.00 H new ATOM 350 N PHE A 22 292.236 134.183 404.367 1.00 0.00 N ATOM 351 CA PHE A 22 293.118 133.607 405.413 1.00 0.00 C ATOM 352 C PHE A 22 292.879 134.254 406.806 1.00 0.00 C ATOM 353 O PHE A 22 293.299 133.659 407.793 1.00 0.00 O ATOM 354 CB PHE A 22 294.696 133.607 405.124 1.00 0.00 C ATOM 355 CG PHE A 22 295.273 132.510 404.201 1.00 0.00 C ATOM 356 CD1 PHE A 22 295.870 132.836 402.988 1.00 0.00 C ATOM 357 CD2 PHE A 22 295.388 131.169 404.576 1.00 0.00 C ATOM 358 CE1 PHE A 22 296.360 131.862 402.125 1.00 0.00 C ATOM 359 CE2 PHE A 22 295.799 130.189 403.701 1.00 0.00 C ATOM 360 CZ PHE A 22 296.216 130.525 402.440 1.00 0.00 C ATOM 0 H PHE A 22 292.718 134.822 403.735 1.00 0.00 H new ATOM 0 HA PHE A 22 292.811 132.561 405.398 1.00 0.00 H new ATOM 0 HB2 PHE A 22 294.955 134.574 404.693 1.00 0.00 H new ATOM 0 HB3 PHE A 22 295.209 133.538 406.083 1.00 0.00 H new ATOM 0 HD1 PHE A 22 295.956 133.876 402.708 1.00 0.00 H new ATOM 0 HD2 PHE A 22 295.145 130.891 405.591 1.00 0.00 H new ATOM 0 HE1 PHE A 22 296.853 132.151 401.209 1.00 0.00 H new ATOM 0 HE2 PHE A 22 295.793 129.154 404.009 1.00 0.00 H new ATOM 0 HZ PHE A 22 296.428 129.760 401.707 1.00 0.00 H new ATOM 370 N ALA A 23 292.226 135.459 406.960 1.00 0.00 N ATOM 371 CA ALA A 23 292.065 136.093 408.282 1.00 0.00 C ATOM 372 C ALA A 23 290.662 136.210 408.908 1.00 0.00 C ATOM 373 O ALA A 23 290.567 136.410 410.118 1.00 0.00 O ATOM 374 CB ALA A 23 292.742 137.482 408.279 1.00 0.00 C ATOM 0 H ALA A 23 291.817 135.986 406.189 1.00 0.00 H new ATOM 0 HA ALA A 23 292.548 135.368 408.937 1.00 0.00 H new ATOM 0 HB1 ALA A 23 292.621 137.948 409.257 1.00 0.00 H new ATOM 0 HB2 ALA A 23 293.804 137.369 408.060 1.00 0.00 H new ATOM 0 HB3 ALA A 23 292.279 138.111 407.518 1.00 0.00 H new ATOM 380 N THR A 24 289.536 136.134 408.142 1.00 0.00 N ATOM 381 CA THR A 24 288.162 136.321 408.653 1.00 0.00 C ATOM 382 C THR A 24 287.461 134.979 408.860 1.00 0.00 C ATOM 383 O THR A 24 287.387 134.160 407.944 1.00 0.00 O ATOM 384 CB THR A 24 287.307 137.191 407.708 1.00 0.00 C ATOM 385 OG1 THR A 24 287.896 138.475 407.527 1.00 0.00 O ATOM 386 CG2 THR A 24 285.885 137.458 408.243 1.00 0.00 C ATOM 0 H THR A 24 289.567 135.938 407.141 1.00 0.00 H new ATOM 0 HA THR A 24 288.259 136.834 409.610 1.00 0.00 H new ATOM 0 HB THR A 24 287.256 136.621 406.780 1.00 0.00 H new ATOM 0 HG1 THR A 24 287.338 139.009 406.923 1.00 0.00 H new ATOM 0 HG21 THR A 24 285.338 138.075 407.530 1.00 0.00 H new ATOM 0 HG22 THR A 24 285.363 136.511 408.378 1.00 0.00 H new ATOM 0 HG23 THR A 24 285.948 137.977 409.199 1.00 0.00 H new ATOM 394 N VAL A 25 286.853 134.720 410.068 1.00 0.00 N ATOM 395 CA VAL A 25 286.098 133.517 410.531 1.00 0.00 C ATOM 396 C VAL A 25 285.025 133.035 409.584 1.00 0.00 C ATOM 397 O VAL A 25 284.892 131.837 409.379 1.00 0.00 O ATOM 398 CB VAL A 25 285.472 133.613 411.937 1.00 0.00 C ATOM 399 CG1 VAL A 25 285.127 132.201 412.480 1.00 0.00 C ATOM 400 CG2 VAL A 25 286.428 134.308 412.930 1.00 0.00 C ATOM 0 H VAL A 25 286.888 135.422 410.808 1.00 0.00 H new ATOM 0 HA VAL A 25 286.909 132.789 410.565 1.00 0.00 H new ATOM 0 HB VAL A 25 284.561 134.205 411.845 1.00 0.00 H new ATOM 0 HG11 VAL A 25 284.686 132.291 413.473 1.00 0.00 H new ATOM 0 HG12 VAL A 25 284.416 131.717 411.810 1.00 0.00 H new ATOM 0 HG13 VAL A 25 286.036 131.602 412.539 1.00 0.00 H new ATOM 0 HG21 VAL A 25 285.958 134.360 413.912 1.00 0.00 H new ATOM 0 HG22 VAL A 25 287.355 133.739 413.001 1.00 0.00 H new ATOM 0 HG23 VAL A 25 286.647 135.316 412.579 1.00 0.00 H new ATOM 410 N ALA A 26 284.322 133.986 408.897 1.00 0.00 N ATOM 411 CA ALA A 26 283.358 133.817 407.818 1.00 0.00 C ATOM 412 C ALA A 26 283.845 132.911 406.680 1.00 0.00 C ATOM 413 O ALA A 26 283.069 132.160 406.096 1.00 0.00 O ATOM 414 CB ALA A 26 282.996 135.205 407.255 1.00 0.00 C ATOM 0 H ALA A 26 284.444 134.973 409.123 1.00 0.00 H new ATOM 0 HA ALA A 26 282.488 133.319 408.246 1.00 0.00 H new ATOM 0 HB1 ALA A 26 282.274 135.093 406.446 1.00 0.00 H new ATOM 0 HB2 ALA A 26 282.562 135.817 408.046 1.00 0.00 H new ATOM 0 HB3 ALA A 26 283.895 135.689 406.874 1.00 0.00 H new ATOM 420 N ALA A 27 285.168 132.911 406.409 1.00 0.00 N ATOM 421 CA ALA A 27 285.793 131.915 405.569 1.00 0.00 C ATOM 422 C ALA A 27 286.706 130.955 406.382 1.00 0.00 C ATOM 423 O ALA A 27 286.694 129.744 406.168 1.00 0.00 O ATOM 424 CB ALA A 27 286.519 132.704 404.462 1.00 0.00 C ATOM 0 H ALA A 27 285.816 133.609 406.775 1.00 0.00 H new ATOM 0 HA ALA A 27 285.066 131.237 405.121 1.00 0.00 H new ATOM 0 HB1 ALA A 27 287.017 132.009 403.786 1.00 0.00 H new ATOM 0 HB2 ALA A 27 285.795 133.297 403.903 1.00 0.00 H new ATOM 0 HB3 ALA A 27 287.259 133.365 404.912 1.00 0.00 H new ATOM 430 N HIS A 28 287.496 131.435 407.400 1.00 0.00 N ATOM 431 CA HIS A 28 288.473 130.653 408.206 1.00 0.00 C ATOM 432 C HIS A 28 287.924 129.470 409.029 1.00 0.00 C ATOM 433 O HIS A 28 288.654 128.547 409.378 1.00 0.00 O ATOM 434 CB HIS A 28 289.371 131.580 409.093 1.00 0.00 C ATOM 435 CG HIS A 28 290.435 130.921 409.965 1.00 0.00 C ATOM 436 ND1 HIS A 28 291.221 129.822 409.761 1.00 0.00 N flip ATOM 437 CD2 HIS A 28 290.767 131.380 411.224 1.00 0.00 C flip ATOM 438 CE1 HIS A 28 292.011 129.571 410.875 1.00 0.00 C flip ATOM 439 NE2 HIS A 28 291.707 130.535 411.721 1.00 0.00 N flip ATOM 0 H HIS A 28 287.461 132.414 407.684 1.00 0.00 H new ATOM 0 HA HIS A 28 289.077 130.171 407.437 1.00 0.00 H new ATOM 0 HB2 HIS A 28 289.871 132.290 408.435 1.00 0.00 H new ATOM 0 HB3 HIS A 28 288.715 132.157 409.745 1.00 0.00 H new ATOM 0 HD2 HIS A 28 290.357 132.247 411.720 1.00 0.00 H new ATOM 0 HE1 HIS A 28 292.717 128.766 411.017 1.00 0.00 H new ATOM 0 HE2 HIS A 28 292.130 130.635 412.644 1.00 0.00 H new ATOM 447 N LYS A 29 286.591 129.434 409.299 1.00 0.00 N ATOM 448 CA LYS A 29 285.860 128.364 409.975 1.00 0.00 C ATOM 449 C LYS A 29 285.783 127.033 409.199 1.00 0.00 C ATOM 450 O LYS A 29 285.387 126.010 409.741 1.00 0.00 O ATOM 451 CB LYS A 29 284.411 128.886 410.296 1.00 0.00 C ATOM 452 CG LYS A 29 283.432 128.973 409.090 1.00 0.00 C ATOM 453 CD LYS A 29 282.354 130.080 409.008 1.00 0.00 C ATOM 454 CE LYS A 29 281.857 130.695 410.325 1.00 0.00 C ATOM 455 NZ LYS A 29 281.257 129.673 411.215 1.00 0.00 N1+ ATOM 0 H LYS A 29 285.976 130.202 409.029 1.00 0.00 H new ATOM 0 HA LYS A 29 286.419 128.125 410.880 1.00 0.00 H new ATOM 0 HB2 LYS A 29 283.970 128.233 411.049 1.00 0.00 H new ATOM 0 HB3 LYS A 29 284.494 129.877 410.742 1.00 0.00 H new ATOM 0 HG2 LYS A 29 284.042 129.056 408.191 1.00 0.00 H new ATOM 0 HG3 LYS A 29 282.911 128.017 409.034 1.00 0.00 H new ATOM 0 HD2 LYS A 29 282.748 130.886 408.390 1.00 0.00 H new ATOM 0 HD3 LYS A 29 281.491 129.669 408.484 1.00 0.00 H new ATOM 0 HE2 LYS A 29 282.688 131.180 410.837 1.00 0.00 H new ATOM 0 HE3 LYS A 29 281.120 131.468 410.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 280.933 130.125 412.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 280.448 129.227 410.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 281.968 128.948 411.440 1.00 0.00 H new ATOM 469 N TYR A 30 286.108 127.069 407.879 1.00 0.00 N ATOM 470 CA TYR A 30 285.958 126.034 406.868 1.00 0.00 C ATOM 471 C TYR A 30 287.270 125.477 406.309 1.00 0.00 C ATOM 472 O TYR A 30 287.540 124.286 406.413 1.00 0.00 O ATOM 473 CB TYR A 30 285.133 126.736 405.765 1.00 0.00 C ATOM 474 CG TYR A 30 283.640 126.619 405.900 1.00 0.00 C ATOM 475 CD1 TYR A 30 282.909 126.890 404.774 1.00 0.00 C ATOM 476 CD2 TYR A 30 282.940 126.452 407.086 1.00 0.00 C ATOM 477 CE1 TYR A 30 281.567 127.110 404.842 1.00 0.00 C ATOM 478 CE2 TYR A 30 281.597 126.779 407.168 1.00 0.00 C ATOM 479 CZ TYR A 30 280.910 127.165 406.046 1.00 0.00 C ATOM 480 OH TYR A 30 279.556 127.566 406.119 1.00 0.00 O ATOM 0 H TYR A 30 286.519 127.911 407.477 1.00 0.00 H new ATOM 0 HA TYR A 30 285.487 125.147 407.292 1.00 0.00 H new ATOM 0 HB2 TYR A 30 285.398 127.793 405.755 1.00 0.00 H new ATOM 0 HB3 TYR A 30 285.426 126.325 404.799 1.00 0.00 H new ATOM 0 HD1 TYR A 30 283.405 126.930 403.816 1.00 0.00 H new ATOM 0 HD2 TYR A 30 283.448 126.062 407.956 1.00 0.00 H new ATOM 0 HE1 TYR A 30 281.007 127.244 403.928 1.00 0.00 H new ATOM 0 HE2 TYR A 30 281.089 126.730 408.120 1.00 0.00 H new ATOM 0 HH TYR A 30 279.258 127.543 407.052 1.00 0.00 H new ATOM 490 N VAL A 31 288.107 126.339 405.678 1.00 0.00 N ATOM 491 CA VAL A 31 289.424 126.096 405.077 1.00 0.00 C ATOM 492 C VAL A 31 289.992 127.474 405.063 1.00 0.00 C ATOM 493 O VAL A 31 289.229 128.366 404.715 1.00 0.00 O ATOM 494 CB VAL A 31 289.474 125.644 403.594 1.00 0.00 C ATOM 495 CG1 VAL A 31 290.798 125.956 402.836 1.00 0.00 C ATOM 496 CG2 VAL A 31 289.092 124.169 403.560 1.00 0.00 C ATOM 0 H VAL A 31 287.840 127.318 405.572 1.00 0.00 H new ATOM 0 HA VAL A 31 289.909 125.295 405.635 1.00 0.00 H new ATOM 0 HB VAL A 31 288.759 126.244 403.031 1.00 0.00 H new ATOM 0 HG11 VAL A 31 290.723 125.597 401.810 1.00 0.00 H new ATOM 0 HG12 VAL A 31 290.970 127.032 402.832 1.00 0.00 H new ATOM 0 HG13 VAL A 31 291.629 125.457 403.335 1.00 0.00 H new ATOM 0 HG21 VAL A 31 289.115 123.811 402.531 1.00 0.00 H new ATOM 0 HG22 VAL A 31 289.799 123.596 404.160 1.00 0.00 H new ATOM 0 HG23 VAL A 31 288.088 124.044 403.965 1.00 0.00 H new ATOM 506 N PRO A 32 291.238 127.788 405.382 1.00 0.00 N ATOM 507 CA PRO A 32 291.672 129.172 405.333 1.00 0.00 C ATOM 508 C PRO A 32 292.060 129.782 403.974 1.00 0.00 C ATOM 509 O PRO A 32 291.727 130.940 403.826 1.00 0.00 O ATOM 510 CB PRO A 32 292.890 129.094 406.280 1.00 0.00 C ATOM 511 CG PRO A 32 293.469 127.679 406.155 1.00 0.00 C ATOM 512 CD PRO A 32 292.195 126.866 406.006 1.00 0.00 C ATOM 0 HA PRO A 32 290.854 129.843 405.594 1.00 0.00 H new ATOM 0 HB2 PRO A 32 293.636 129.841 406.010 1.00 0.00 H new ATOM 0 HB3 PRO A 32 292.592 129.299 407.308 1.00 0.00 H new ATOM 0 HG2 PRO A 32 294.129 127.576 405.293 1.00 0.00 H new ATOM 0 HG3 PRO A 32 294.045 127.388 407.034 1.00 0.00 H new ATOM 0 HD2 PRO A 32 292.358 125.984 405.386 1.00 0.00 H new ATOM 0 HD3 PRO A 32 291.834 126.514 406.972 1.00 0.00 H new ATOM 520 N SER A 33 292.730 129.110 403.007 1.00 0.00 N ATOM 521 CA SER A 33 293.150 129.693 401.712 1.00 0.00 C ATOM 522 C SER A 33 293.906 128.719 400.796 1.00 0.00 C ATOM 523 O SER A 33 294.002 127.520 401.100 1.00 0.00 O ATOM 524 CB SER A 33 293.282 131.253 401.448 1.00 0.00 C ATOM 525 OG SER A 33 292.241 131.774 400.626 1.00 0.00 O ATOM 0 H SER A 33 292.998 128.131 403.108 1.00 0.00 H new ATOM 0 HA SER A 33 292.143 129.849 401.326 1.00 0.00 H new ATOM 0 HB2 SER A 33 293.279 131.778 402.403 1.00 0.00 H new ATOM 0 HB3 SER A 33 294.244 131.455 400.976 1.00 0.00 H new ATOM 0 HG SER A 33 291.381 131.673 401.084 1.00 0.00 H new ATOM 531 N TYR A 34 294.436 129.182 399.604 1.00 0.00 N ATOM 532 CA TYR A 34 295.139 128.492 398.469 1.00 0.00 C ATOM 533 C TYR A 34 296.214 127.438 398.807 1.00 0.00 C ATOM 534 O TYR A 34 296.435 126.470 398.075 1.00 0.00 O ATOM 535 CB TYR A 34 295.848 129.535 397.557 1.00 0.00 C ATOM 536 CG TYR A 34 294.936 130.689 397.272 1.00 0.00 C ATOM 537 CD1 TYR A 34 295.032 131.794 398.088 1.00 0.00 C ATOM 538 CD2 TYR A 34 294.004 130.671 396.243 1.00 0.00 C ATOM 539 CE1 TYR A 34 294.215 132.867 397.863 1.00 0.00 C ATOM 540 CE2 TYR A 34 293.220 131.781 395.958 1.00 0.00 C ATOM 541 CZ TYR A 34 293.360 132.875 396.799 1.00 0.00 C ATOM 542 OH TYR A 34 292.756 134.095 396.496 1.00 0.00 O ATOM 0 H TYR A 34 294.366 130.179 399.399 1.00 0.00 H new ATOM 0 HA TYR A 34 294.314 127.954 398.001 1.00 0.00 H new ATOM 0 HB2 TYR A 34 296.756 129.893 398.042 1.00 0.00 H new ATOM 0 HB3 TYR A 34 296.150 129.063 396.622 1.00 0.00 H new ATOM 0 HD1 TYR A 34 295.746 131.813 398.898 1.00 0.00 H new ATOM 0 HD2 TYR A 34 293.886 129.775 395.652 1.00 0.00 H new ATOM 0 HE1 TYR A 34 294.246 133.714 398.532 1.00 0.00 H new ATOM 0 HE2 TYR A 34 292.535 131.792 395.123 1.00 0.00 H new ATOM 0 HH TYR A 34 291.789 134.026 396.641 1.00 0.00 H new ATOM 552 N ALA A 35 296.804 127.577 400.019 1.00 0.00 N ATOM 553 CA ALA A 35 297.739 126.702 400.704 1.00 0.00 C ATOM 554 C ALA A 35 297.148 125.376 401.114 1.00 0.00 C ATOM 555 O ALA A 35 297.661 124.305 400.793 1.00 0.00 O ATOM 556 CB ALA A 35 298.165 127.446 402.005 1.00 0.00 C ATOM 0 H ALA A 35 296.603 128.400 400.588 1.00 0.00 H new ATOM 0 HA ALA A 35 298.560 126.486 400.020 1.00 0.00 H new ATOM 0 HB1 ALA A 35 298.871 126.830 402.562 1.00 0.00 H new ATOM 0 HB2 ALA A 35 298.637 128.394 401.744 1.00 0.00 H new ATOM 0 HB3 ALA A 35 297.285 127.636 402.620 1.00 0.00 H new ATOM 562 N PHE A 36 295.955 125.465 401.764 1.00 0.00 N ATOM 563 CA PHE A 36 295.078 124.378 402.142 1.00 0.00 C ATOM 564 C PHE A 36 294.377 123.883 400.863 1.00 0.00 C ATOM 565 O PHE A 36 294.212 122.680 400.679 1.00 0.00 O ATOM 566 CB PHE A 36 294.145 124.822 403.320 1.00 0.00 C ATOM 567 CG PHE A 36 293.237 123.683 403.836 1.00 0.00 C ATOM 568 CD1 PHE A 36 293.372 123.158 405.112 1.00 0.00 C ATOM 569 CD2 PHE A 36 292.232 123.127 403.048 1.00 0.00 C ATOM 570 CE1 PHE A 36 292.525 122.158 405.569 1.00 0.00 C ATOM 571 CE2 PHE A 36 291.421 122.101 403.473 1.00 0.00 C ATOM 572 CZ PHE A 36 291.531 121.643 404.758 1.00 0.00 C ATOM 0 H PHE A 36 295.577 126.369 402.046 1.00 0.00 H new ATOM 0 HA PHE A 36 295.612 123.520 402.551 1.00 0.00 H new ATOM 0 HB2 PHE A 36 294.758 125.191 404.142 1.00 0.00 H new ATOM 0 HB3 PHE A 36 293.523 125.653 402.989 1.00 0.00 H new ATOM 0 HD1 PHE A 36 294.149 123.533 405.761 1.00 0.00 H new ATOM 0 HD2 PHE A 36 292.082 123.521 402.054 1.00 0.00 H new ATOM 0 HE1 PHE A 36 292.644 121.777 406.572 1.00 0.00 H new ATOM 0 HE2 PHE A 36 290.703 121.660 402.798 1.00 0.00 H new ATOM 0 HZ PHE A 36 290.852 120.891 405.132 1.00 0.00 H new ATOM 582 N LEU A 37 294.002 124.797 399.902 1.00 0.00 N ATOM 583 CA LEU A 37 293.405 124.380 398.599 1.00 0.00 C ATOM 584 C LEU A 37 294.294 123.468 397.737 1.00 0.00 C ATOM 585 O LEU A 37 293.803 122.505 397.138 1.00 0.00 O ATOM 586 CB LEU A 37 292.951 125.524 397.653 1.00 0.00 C ATOM 587 CG LEU A 37 292.306 126.736 398.335 1.00 0.00 C ATOM 588 CD1 LEU A 37 291.893 127.806 397.331 1.00 0.00 C ATOM 589 CD2 LEU A 37 291.251 126.621 399.431 1.00 0.00 C ATOM 0 H LEU A 37 294.104 125.806 400.011 1.00 0.00 H new ATOM 0 HA LEU A 37 292.535 123.843 398.976 1.00 0.00 H new ATOM 0 HB2 LEU A 37 293.817 125.867 397.087 1.00 0.00 H new ATOM 0 HB3 LEU A 37 292.242 125.115 396.934 1.00 0.00 H new ATOM 0 HG LEU A 37 293.168 126.997 398.948 1.00 0.00 H new ATOM 0 HD11 LEU A 37 291.441 128.645 397.859 1.00 0.00 H new ATOM 0 HD12 LEU A 37 292.771 128.151 396.785 1.00 0.00 H new ATOM 0 HD13 LEU A 37 291.171 127.388 396.630 1.00 0.00 H new ATOM 0 HD21 LEU A 37 290.950 127.618 399.753 1.00 0.00 H new ATOM 0 HD22 LEU A 37 290.383 126.087 399.045 1.00 0.00 H new ATOM 0 HD23 LEU A 37 291.665 126.076 400.279 1.00 0.00 H new ATOM 601 N ARG A 38 295.654 123.710 397.738 1.00 0.00 N ATOM 602 CA ARG A 38 296.612 122.782 397.124 1.00 0.00 C ATOM 603 C ARG A 38 296.742 121.424 397.846 1.00 0.00 C ATOM 604 O ARG A 38 296.804 120.387 397.193 1.00 0.00 O ATOM 605 CB ARG A 38 298.057 123.366 397.084 1.00 0.00 C ATOM 606 CG ARG A 38 298.236 124.509 396.076 1.00 0.00 C ATOM 607 CD ARG A 38 299.570 125.265 396.213 1.00 0.00 C ATOM 608 NE ARG A 38 300.721 124.328 395.943 1.00 0.00 N ATOM 609 CZ ARG A 38 301.262 124.105 394.703 1.00 0.00 C ATOM 610 NH1 ARG A 38 300.799 124.760 393.599 1.00 0.00 N1+ ATOM 611 NH2 ARG A 38 302.283 123.209 394.572 1.00 0.00 N ATOM 0 H ARG A 38 296.082 124.535 398.158 1.00 0.00 H new ATOM 0 HA ARG A 38 296.196 122.635 396.127 1.00 0.00 H new ATOM 0 HB2 ARG A 38 298.321 123.726 398.078 1.00 0.00 H new ATOM 0 HB3 ARG A 38 298.756 122.566 396.839 1.00 0.00 H new ATOM 0 HG2 ARG A 38 298.162 124.104 395.067 1.00 0.00 H new ATOM 0 HG3 ARG A 38 297.416 125.217 396.196 1.00 0.00 H new ATOM 0 HD2 ARG A 38 299.598 126.100 395.514 1.00 0.00 H new ATOM 0 HD3 ARG A 38 299.659 125.685 397.215 1.00 0.00 H new ATOM 0 HE ARG A 38 301.123 123.827 396.735 1.00 0.00 H new ATOM 0 HH11 ARG A 38 300.036 125.431 393.687 1.00 0.00 H new ATOM 0 HH12 ARG A 38 301.216 124.579 392.686 1.00 0.00 H new ATOM 0 HH21 ARG A 38 302.635 122.714 395.391 1.00 0.00 H new ATOM 0 HH22 ARG A 38 302.694 123.034 393.655 1.00 0.00 H new ATOM 625 N ARG A 39 296.737 121.392 399.215 1.00 0.00 N ATOM 626 CA ARG A 39 296.752 120.176 400.049 1.00 0.00 C ATOM 627 C ARG A 39 295.453 119.365 399.957 1.00 0.00 C ATOM 628 O ARG A 39 295.469 118.136 399.925 1.00 0.00 O ATOM 629 CB ARG A 39 296.998 120.519 401.543 1.00 0.00 C ATOM 630 CG ARG A 39 298.371 121.160 401.821 1.00 0.00 C ATOM 631 CD ARG A 39 298.375 122.018 403.097 1.00 0.00 C ATOM 632 NE ARG A 39 297.960 121.172 404.273 1.00 0.00 N ATOM 633 CZ ARG A 39 297.360 121.679 405.396 1.00 0.00 C ATOM 634 NH1 ARG A 39 297.120 123.016 405.522 1.00 0.00 N1+ ATOM 635 NH2 ARG A 39 296.995 120.831 406.401 1.00 0.00 N ATOM 0 H ARG A 39 296.722 122.246 399.773 1.00 0.00 H new ATOM 0 HA ARG A 39 297.569 119.571 399.655 1.00 0.00 H new ATOM 0 HB2 ARG A 39 296.216 121.198 401.883 1.00 0.00 H new ATOM 0 HB3 ARG A 39 296.908 119.608 402.134 1.00 0.00 H new ATOM 0 HG2 ARG A 39 299.122 120.376 401.913 1.00 0.00 H new ATOM 0 HG3 ARG A 39 298.658 121.779 400.971 1.00 0.00 H new ATOM 0 HD2 ARG A 39 299.369 122.432 403.266 1.00 0.00 H new ATOM 0 HD3 ARG A 39 297.693 122.861 402.983 1.00 0.00 H new ATOM 0 HE ARG A 39 298.135 120.168 404.231 1.00 0.00 H new ATOM 0 HH11 ARG A 39 297.388 123.655 404.774 1.00 0.00 H new ATOM 0 HH12 ARG A 39 296.672 123.377 406.365 1.00 0.00 H new ATOM 0 HH21 ARG A 39 297.169 119.830 406.312 1.00 0.00 H new ATOM 0 HH22 ARG A 39 296.548 121.198 407.241 1.00 0.00 H new ATOM 649 N GLU A 40 294.298 120.084 399.876 1.00 0.00 N ATOM 650 CA GLU A 40 292.949 119.571 399.724 1.00 0.00 C ATOM 651 C GLU A 40 292.638 119.010 398.343 1.00 0.00 C ATOM 652 O GLU A 40 292.089 117.912 398.275 1.00 0.00 O ATOM 653 CB GLU A 40 291.911 120.665 400.109 1.00 0.00 C ATOM 654 CG GLU A 40 290.427 120.238 400.150 1.00 0.00 C ATOM 655 CD GLU A 40 290.202 119.036 401.068 1.00 0.00 C ATOM 656 OE1 GLU A 40 289.697 117.996 400.566 1.00 0.00 O ATOM 657 OE2 GLU A 40 290.525 119.140 402.281 1.00 0.00 O1- ATOM 0 H GLU A 40 294.310 121.103 399.920 1.00 0.00 H new ATOM 0 HA GLU A 40 292.877 118.724 400.407 1.00 0.00 H new ATOM 0 HB2 GLU A 40 292.179 121.056 401.091 1.00 0.00 H new ATOM 0 HB3 GLU A 40 292.008 121.488 399.401 1.00 0.00 H new ATOM 0 HG2 GLU A 40 289.818 121.075 400.493 1.00 0.00 H new ATOM 0 HG3 GLU A 40 290.093 119.992 399.142 1.00 0.00 H new ATOM 664 N LEU A 41 292.938 119.720 397.204 1.00 0.00 N ATOM 665 CA LEU A 41 292.553 119.108 395.921 1.00 0.00 C ATOM 666 C LEU A 41 293.711 118.632 395.060 1.00 0.00 C ATOM 667 O LEU A 41 293.464 117.963 394.059 1.00 0.00 O ATOM 668 CB LEU A 41 291.554 119.988 395.117 1.00 0.00 C ATOM 669 CG LEU A 41 290.165 120.146 395.786 1.00 0.00 C ATOM 670 CD1 LEU A 41 289.974 121.561 396.330 1.00 0.00 C ATOM 671 CD2 LEU A 41 289.010 119.856 394.810 1.00 0.00 C ATOM 0 H LEU A 41 293.400 120.628 397.159 1.00 0.00 H new ATOM 0 HA LEU A 41 292.032 118.195 396.211 1.00 0.00 H new ATOM 0 HB2 LEU A 41 291.991 120.976 394.975 1.00 0.00 H new ATOM 0 HB3 LEU A 41 291.420 119.553 394.126 1.00 0.00 H new ATOM 0 HG LEU A 41 290.141 119.419 396.598 1.00 0.00 H new ATOM 0 HD11 LEU A 41 288.991 121.643 396.794 1.00 0.00 H new ATOM 0 HD12 LEU A 41 290.744 121.773 397.072 1.00 0.00 H new ATOM 0 HD13 LEU A 41 290.051 122.278 395.513 1.00 0.00 H new ATOM 0 HD21 LEU A 41 288.058 119.980 395.326 1.00 0.00 H new ATOM 0 HD22 LEU A 41 289.061 120.549 393.970 1.00 0.00 H new ATOM 0 HD23 LEU A 41 289.093 118.833 394.442 1.00 0.00 H new ATOM 683 N GLY A 42 295.010 118.935 395.394 1.00 0.00 N ATOM 684 CA GLY A 42 296.194 118.456 394.644 1.00 0.00 C ATOM 685 C GLY A 42 296.381 119.118 393.293 1.00 0.00 C ATOM 686 O GLY A 42 296.815 118.495 392.326 1.00 0.00 O ATOM 0 H GLY A 42 295.250 119.520 396.194 1.00 0.00 H new ATOM 0 HA2 GLY A 42 297.086 118.627 395.247 1.00 0.00 H new ATOM 0 HA3 GLY A 42 296.108 117.379 394.500 1.00 0.00 H new ATOM 690 N LEU A 43 295.946 120.397 393.222 1.00 0.00 N ATOM 691 CA LEU A 43 295.746 121.155 392.000 1.00 0.00 C ATOM 692 C LEU A 43 296.910 121.884 391.360 1.00 0.00 C ATOM 693 O LEU A 43 297.594 122.699 391.972 1.00 0.00 O ATOM 694 CB LEU A 43 294.630 122.208 392.239 1.00 0.00 C ATOM 695 CG LEU A 43 293.251 121.585 392.512 1.00 0.00 C ATOM 696 CD1 LEU A 43 292.243 122.694 392.827 1.00 0.00 C ATOM 697 CD2 LEU A 43 292.725 120.711 391.359 1.00 0.00 C ATOM 0 H LEU A 43 295.720 120.937 394.058 1.00 0.00 H new ATOM 0 HA LEU A 43 295.513 120.363 391.288 1.00 0.00 H new ATOM 0 HB2 LEU A 43 294.910 122.838 393.084 1.00 0.00 H new ATOM 0 HB3 LEU A 43 294.561 122.858 391.366 1.00 0.00 H new ATOM 0 HG LEU A 43 293.373 120.919 393.366 1.00 0.00 H new ATOM 0 HD11 LEU A 43 291.265 122.253 393.021 1.00 0.00 H new ATOM 0 HD12 LEU A 43 292.573 123.246 393.707 1.00 0.00 H new ATOM 0 HD13 LEU A 43 292.173 123.374 391.978 1.00 0.00 H new ATOM 0 HD21 LEU A 43 291.748 120.307 391.625 1.00 0.00 H new ATOM 0 HD22 LEU A 43 292.634 121.316 390.457 1.00 0.00 H new ATOM 0 HD23 LEU A 43 293.420 119.891 391.178 1.00 0.00 H new ATOM 709 N SER A 44 297.026 121.692 390.013 1.00 0.00 N ATOM 710 CA SER A 44 297.901 122.377 389.064 1.00 0.00 C ATOM 711 C SER A 44 297.259 123.684 388.571 1.00 0.00 C ATOM 712 O SER A 44 297.859 124.472 387.842 1.00 0.00 O ATOM 713 CB SER A 44 298.242 121.427 387.887 1.00 0.00 C ATOM 714 OG SER A 44 297.075 120.694 387.500 1.00 0.00 O ATOM 0 H SER A 44 296.454 120.991 389.542 1.00 0.00 H new ATOM 0 HA SER A 44 298.830 122.647 389.566 1.00 0.00 H new ATOM 0 HB2 SER A 44 298.618 122.002 387.041 1.00 0.00 H new ATOM 0 HB3 SER A 44 299.034 120.738 388.182 1.00 0.00 H new ATOM 0 HG SER A 44 297.296 120.097 386.755 1.00 0.00 H new ATOM 720 N SER A 45 296.014 123.952 389.065 1.00 0.00 N ATOM 721 CA SER A 45 295.183 125.151 388.953 1.00 0.00 C ATOM 722 C SER A 45 295.717 126.279 389.825 1.00 0.00 C ATOM 723 O SER A 45 295.493 127.467 389.609 1.00 0.00 O ATOM 724 CB SER A 45 293.710 124.874 389.391 1.00 0.00 C ATOM 725 OG SER A 45 293.326 123.583 388.939 1.00 0.00 O ATOM 0 H SER A 45 295.530 123.239 389.611 1.00 0.00 H new ATOM 0 HA SER A 45 295.211 125.440 387.902 1.00 0.00 H new ATOM 0 HB2 SER A 45 293.623 124.934 390.476 1.00 0.00 H new ATOM 0 HB3 SER A 45 293.045 125.631 388.975 1.00 0.00 H new ATOM 0 HG SER A 45 293.681 123.433 388.038 1.00 0.00 H new ATOM 731 N ALA A 46 296.466 125.876 390.881 1.00 0.00 N ATOM 732 CA ALA A 46 296.979 126.671 391.982 1.00 0.00 C ATOM 733 C ALA A 46 298.085 127.684 391.712 1.00 0.00 C ATOM 734 O ALA A 46 298.554 128.349 392.632 1.00 0.00 O ATOM 735 CB ALA A 46 297.374 125.707 393.094 1.00 0.00 C ATOM 0 H ALA A 46 296.740 124.898 390.975 1.00 0.00 H new ATOM 0 HA ALA A 46 296.160 127.339 392.249 1.00 0.00 H new ATOM 0 HB1 ALA A 46 297.765 126.270 393.941 1.00 0.00 H new ATOM 0 HB2 ALA A 46 296.500 125.137 393.409 1.00 0.00 H new ATOM 0 HB3 ALA A 46 298.140 125.023 392.728 1.00 0.00 H new ATOM 741 N HIS A 47 298.467 127.836 390.419 1.00 0.00 N ATOM 742 CA HIS A 47 299.393 128.817 389.868 1.00 0.00 C ATOM 743 C HIS A 47 298.729 130.175 389.606 1.00 0.00 C ATOM 744 O HIS A 47 299.406 131.166 389.342 1.00 0.00 O ATOM 745 CB HIS A 47 299.964 128.320 388.501 1.00 0.00 C ATOM 746 CG HIS A 47 301.186 127.453 388.588 1.00 0.00 C ATOM 747 ND1 HIS A 47 302.332 127.808 389.268 1.00 0.00 N ATOM 748 CD2 HIS A 47 301.513 126.345 387.868 1.00 0.00 C ATOM 749 CE1 HIS A 47 303.286 126.904 388.934 1.00 0.00 C ATOM 750 NE2 HIS A 47 302.838 126.006 388.081 1.00 0.00 N ATOM 0 H HIS A 47 298.099 127.222 389.692 1.00 0.00 H new ATOM 0 HA HIS A 47 300.179 128.936 390.614 1.00 0.00 H new ATOM 0 HB2 HIS A 47 299.183 127.766 387.981 1.00 0.00 H new ATOM 0 HB3 HIS A 47 300.200 129.190 387.888 1.00 0.00 H new ATOM 0 HD2 HIS A 47 300.835 125.807 387.222 1.00 0.00 H new ATOM 0 HE1 HIS A 47 304.294 126.919 389.322 1.00 0.00 H new ATOM 0 HE2 HIS A 47 303.355 125.230 387.667 1.00 0.00 H new ATOM 758 N THR A 48 297.372 130.262 389.593 1.00 0.00 N ATOM 759 CA THR A 48 296.686 131.513 389.261 1.00 0.00 C ATOM 760 C THR A 48 295.391 131.591 390.045 1.00 0.00 C ATOM 761 O THR A 48 294.659 130.606 390.174 1.00 0.00 O ATOM 762 CB THR A 48 296.441 131.638 387.747 1.00 0.00 C ATOM 763 OG1 THR A 48 297.680 131.698 387.046 1.00 0.00 O ATOM 764 CG2 THR A 48 295.669 132.911 387.349 1.00 0.00 C ATOM 0 H THR A 48 296.749 129.483 389.808 1.00 0.00 H new ATOM 0 HA THR A 48 297.321 132.353 389.541 1.00 0.00 H new ATOM 0 HB THR A 48 295.851 130.759 387.486 1.00 0.00 H new ATOM 0 HG1 THR A 48 298.420 131.683 387.688 1.00 0.00 H new ATOM 0 HG21 THR A 48 295.533 132.931 386.268 1.00 0.00 H new ATOM 0 HG22 THR A 48 294.694 132.913 387.837 1.00 0.00 H new ATOM 0 HG23 THR A 48 296.232 133.791 387.660 1.00 0.00 H new ATOM 772 N ASN A 49 295.016 132.811 390.568 1.00 0.00 N ATOM 773 CA ASN A 49 293.789 133.081 391.342 1.00 0.00 C ATOM 774 C ASN A 49 292.506 132.726 390.607 1.00 0.00 C ATOM 775 O ASN A 49 291.656 132.016 391.123 1.00 0.00 O ATOM 776 CB ASN A 49 293.697 134.563 391.840 1.00 0.00 C ATOM 777 CG ASN A 49 293.009 134.622 393.207 1.00 0.00 C ATOM 778 OD1 ASN A 49 291.755 135.118 393.358 1.00 0.00 O flip ATOM 779 ND2 ASN A 49 293.650 134.182 394.158 1.00 0.00 N flip ATOM 0 H ASN A 49 295.590 133.645 390.448 1.00 0.00 H new ATOM 0 HA ASN A 49 293.878 132.419 392.204 1.00 0.00 H new ATOM 0 HB2 ASN A 49 294.696 134.993 391.909 1.00 0.00 H new ATOM 0 HB3 ASN A 49 293.141 135.162 391.119 1.00 0.00 H new ATOM 0 HD21 ASN A 49 294.591 133.816 394.013 1.00 0.00 H new ATOM 0 HD22 ASN A 49 293.241 134.183 395.093 1.00 0.00 H new ATOM 786 N ARG A 50 292.414 133.152 389.325 1.00 0.00 N ATOM 787 CA ARG A 50 291.303 132.943 388.408 1.00 0.00 C ATOM 788 C ARG A 50 291.123 131.490 387.976 1.00 0.00 C ATOM 789 O ARG A 50 289.996 131.054 387.804 1.00 0.00 O ATOM 790 CB ARG A 50 291.410 133.922 387.207 1.00 0.00 C ATOM 791 CG ARG A 50 290.940 135.367 387.520 1.00 0.00 C ATOM 792 CD ARG A 50 291.619 136.070 388.715 1.00 0.00 C ATOM 793 NE ARG A 50 290.938 137.389 388.978 1.00 0.00 N ATOM 794 CZ ARG A 50 289.951 137.567 389.914 1.00 0.00 C ATOM 795 NH1 ARG A 50 289.522 136.534 390.696 1.00 0.00 N1+ ATOM 796 NH2 ARG A 50 289.390 138.802 390.067 1.00 0.00 N ATOM 0 H ARG A 50 293.169 133.683 388.891 1.00 0.00 H new ATOM 0 HA ARG A 50 290.388 133.171 388.954 1.00 0.00 H new ATOM 0 HB2 ARG A 50 292.446 133.954 386.870 1.00 0.00 H new ATOM 0 HB3 ARG A 50 290.818 133.531 386.380 1.00 0.00 H new ATOM 0 HG2 ARG A 50 291.098 135.977 386.631 1.00 0.00 H new ATOM 0 HG3 ARG A 50 289.866 135.344 387.704 1.00 0.00 H new ATOM 0 HD2 ARG A 50 291.564 135.438 389.601 1.00 0.00 H new ATOM 0 HD3 ARG A 50 292.676 136.231 388.503 1.00 0.00 H new ATOM 0 HE ARG A 50 291.228 138.197 388.427 1.00 0.00 H new ATOM 0 HH11 ARG A 50 289.937 135.608 390.590 1.00 0.00 H new ATOM 0 HH12 ARG A 50 288.787 136.688 391.386 1.00 0.00 H new ATOM 0 HH21 ARG A 50 289.705 139.581 389.489 1.00 0.00 H new ATOM 0 HH22 ARG A 50 288.655 138.946 390.760 1.00 0.00 H new ATOM 810 N LYS A 51 292.228 130.702 387.822 1.00 0.00 N ATOM 811 CA LYS A 51 292.269 129.255 387.549 1.00 0.00 C ATOM 812 C LYS A 51 291.902 128.350 388.740 1.00 0.00 C ATOM 813 O LYS A 51 291.083 127.418 388.664 1.00 0.00 O ATOM 814 CB LYS A 51 293.646 128.870 386.959 1.00 0.00 C ATOM 815 CG LYS A 51 293.691 127.527 386.206 1.00 0.00 C ATOM 816 CD LYS A 51 295.081 127.214 385.618 1.00 0.00 C ATOM 817 CE LYS A 51 295.548 128.165 384.502 1.00 0.00 C ATOM 818 NZ LYS A 51 294.619 128.142 383.346 1.00 0.00 N1+ ATOM 0 H LYS A 51 293.166 131.097 387.892 1.00 0.00 H new ATOM 0 HA LYS A 51 291.480 129.071 386.820 1.00 0.00 H new ATOM 0 HB2 LYS A 51 293.964 129.660 386.278 1.00 0.00 H new ATOM 0 HB3 LYS A 51 294.373 128.837 387.770 1.00 0.00 H new ATOM 0 HG2 LYS A 51 293.401 126.726 386.886 1.00 0.00 H new ATOM 0 HG3 LYS A 51 292.957 127.543 385.400 1.00 0.00 H new ATOM 0 HD2 LYS A 51 295.813 127.239 386.425 1.00 0.00 H new ATOM 0 HD3 LYS A 51 295.072 126.197 385.227 1.00 0.00 H new ATOM 0 HE2 LYS A 51 295.619 129.180 384.893 1.00 0.00 H new ATOM 0 HE3 LYS A 51 296.547 127.879 384.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 295.022 128.700 382.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 294.479 127.160 383.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 293.705 128.550 383.627 1.00 0.00 H new ATOM 832 N VAL A 52 292.500 128.650 389.942 1.00 0.00 N ATOM 833 CA VAL A 52 292.259 127.940 391.212 1.00 0.00 C ATOM 834 C VAL A 52 290.876 128.226 391.740 1.00 0.00 C ATOM 835 O VAL A 52 290.161 127.294 392.105 1.00 0.00 O ATOM 836 CB VAL A 52 293.356 128.133 392.282 1.00 0.00 C ATOM 837 CG1 VAL A 52 293.250 129.488 393.038 1.00 0.00 C ATOM 838 CG2 VAL A 52 293.438 126.912 393.245 1.00 0.00 C ATOM 0 H VAL A 52 293.173 129.410 390.038 1.00 0.00 H new ATOM 0 HA VAL A 52 292.317 126.879 390.970 1.00 0.00 H new ATOM 0 HB VAL A 52 294.303 128.182 391.745 1.00 0.00 H new ATOM 0 HG11 VAL A 52 294.051 129.557 393.774 1.00 0.00 H new ATOM 0 HG12 VAL A 52 293.339 130.309 392.327 1.00 0.00 H new ATOM 0 HG13 VAL A 52 292.286 129.548 393.543 1.00 0.00 H new ATOM 0 HG21 VAL A 52 294.221 127.083 393.984 1.00 0.00 H new ATOM 0 HG22 VAL A 52 292.482 126.784 393.752 1.00 0.00 H new ATOM 0 HG23 VAL A 52 293.669 126.013 392.674 1.00 0.00 H new ATOM 848 N TRP A 53 290.440 129.526 391.624 1.00 0.00 N ATOM 849 CA TRP A 53 289.088 129.986 391.870 1.00 0.00 C ATOM 850 C TRP A 53 288.073 129.418 390.915 1.00 0.00 C ATOM 851 O TRP A 53 286.985 129.149 391.358 1.00 0.00 O ATOM 852 CB TRP A 53 288.892 131.508 391.897 1.00 0.00 C ATOM 853 CG TRP A 53 289.308 132.366 393.028 1.00 0.00 C ATOM 854 CD1 TRP A 53 288.971 133.683 393.092 1.00 0.00 C ATOM 855 CD2 TRP A 53 289.675 131.966 394.350 1.00 0.00 C ATOM 856 NE1 TRP A 53 289.069 134.126 394.374 1.00 0.00 N ATOM 857 CE2 TRP A 53 289.611 133.113 395.128 1.00 0.00 C ATOM 858 CE3 TRP A 53 289.992 130.750 394.892 1.00 0.00 C ATOM 859 CZ2 TRP A 53 289.990 133.085 396.418 1.00 0.00 C ATOM 860 CZ3 TRP A 53 290.257 130.718 396.230 1.00 0.00 C ATOM 861 CH2 TRP A 53 290.345 131.880 396.953 1.00 0.00 C ATOM 0 H TRP A 53 291.066 130.282 391.346 1.00 0.00 H new ATOM 0 HA TRP A 53 288.920 129.606 392.878 1.00 0.00 H new ATOM 0 HB2 TRP A 53 289.398 131.898 391.014 1.00 0.00 H new ATOM 0 HB3 TRP A 53 287.825 131.682 391.756 1.00 0.00 H new ATOM 0 HD1 TRP A 53 288.670 134.287 392.249 1.00 0.00 H new ATOM 0 HE1 TRP A 53 288.790 135.046 394.715 1.00 0.00 H new ATOM 0 HE3 TRP A 53 290.031 129.856 394.288 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 290.013 133.987 397.012 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 290.399 129.768 396.725 1.00 0.00 H new ATOM 0 HH2 TRP A 53 290.704 131.841 397.971 1.00 0.00 H new ATOM 872 N LYS A 54 288.405 129.173 389.631 1.00 0.00 N ATOM 873 CA LYS A 54 287.604 128.457 388.623 1.00 0.00 C ATOM 874 C LYS A 54 287.428 126.971 388.901 1.00 0.00 C ATOM 875 O LYS A 54 286.312 126.485 388.794 1.00 0.00 O ATOM 876 CB LYS A 54 288.330 128.612 387.275 1.00 0.00 C ATOM 877 CG LYS A 54 288.328 127.495 386.219 1.00 0.00 C ATOM 878 CD LYS A 54 289.069 127.959 384.961 1.00 0.00 C ATOM 879 CE LYS A 54 289.133 126.883 383.871 1.00 0.00 C ATOM 880 NZ LYS A 54 289.930 127.351 382.713 1.00 0.00 N1+ ATOM 0 H LYS A 54 289.296 129.491 389.249 1.00 0.00 H new ATOM 0 HA LYS A 54 286.604 128.890 388.633 1.00 0.00 H new ATOM 0 HB2 LYS A 54 287.918 129.500 386.795 1.00 0.00 H new ATOM 0 HB3 LYS A 54 289.374 128.829 387.502 1.00 0.00 H new ATOM 0 HG2 LYS A 54 288.804 126.602 386.622 1.00 0.00 H new ATOM 0 HG3 LYS A 54 287.303 127.224 385.967 1.00 0.00 H new ATOM 0 HD2 LYS A 54 288.575 128.844 384.561 1.00 0.00 H new ATOM 0 HD3 LYS A 54 290.083 128.255 385.232 1.00 0.00 H new ATOM 0 HE2 LYS A 54 289.575 125.973 384.278 1.00 0.00 H new ATOM 0 HE3 LYS A 54 288.124 126.629 383.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 289.959 126.606 381.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 289.493 128.206 382.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 290.898 127.570 383.024 1.00 0.00 H new ATOM 894 N LYS A 55 288.483 126.187 389.326 1.00 0.00 N ATOM 895 CA LYS A 55 288.287 124.772 389.777 1.00 0.00 C ATOM 896 C LYS A 55 287.438 124.723 391.069 1.00 0.00 C ATOM 897 O LYS A 55 286.477 123.956 391.250 1.00 0.00 O ATOM 898 CB LYS A 55 289.628 124.008 389.976 1.00 0.00 C ATOM 899 CG LYS A 55 290.103 123.227 388.733 1.00 0.00 C ATOM 900 CD LYS A 55 290.426 124.141 387.545 1.00 0.00 C ATOM 901 CE LYS A 55 291.145 123.429 386.392 1.00 0.00 C ATOM 902 NZ LYS A 55 291.579 124.400 385.363 1.00 0.00 N1+ ATOM 0 H LYS A 55 289.450 126.509 389.362 1.00 0.00 H new ATOM 0 HA LYS A 55 287.751 124.262 388.977 1.00 0.00 H new ATOM 0 HB2 LYS A 55 290.401 124.722 390.260 1.00 0.00 H new ATOM 0 HB3 LYS A 55 289.516 123.312 390.807 1.00 0.00 H new ATOM 0 HG2 LYS A 55 290.989 122.647 388.991 1.00 0.00 H new ATOM 0 HG3 LYS A 55 289.331 122.516 388.439 1.00 0.00 H new ATOM 0 HD2 LYS A 55 289.499 124.575 387.170 1.00 0.00 H new ATOM 0 HD3 LYS A 55 291.046 124.967 387.893 1.00 0.00 H new ATOM 0 HE2 LYS A 55 292.010 122.888 386.776 1.00 0.00 H new ATOM 0 HE3 LYS A 55 290.480 122.690 385.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 291.256 124.082 384.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 291.170 125.333 385.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 292.617 124.469 385.366 1.00 0.00 H new ATOM 916 N PHE A 56 287.723 125.728 391.943 1.00 0.00 N ATOM 917 CA PHE A 56 286.919 126.003 393.143 1.00 0.00 C ATOM 918 C PHE A 56 285.464 126.444 392.855 1.00 0.00 C ATOM 919 O PHE A 56 284.520 125.970 393.468 1.00 0.00 O ATOM 920 CB PHE A 56 287.629 127.032 394.047 1.00 0.00 C ATOM 921 CG PHE A 56 288.382 126.376 395.143 1.00 0.00 C ATOM 922 CD1 PHE A 56 289.378 125.463 394.882 1.00 0.00 C ATOM 923 CD2 PHE A 56 288.026 126.645 396.450 1.00 0.00 C ATOM 924 CE1 PHE A 56 289.946 124.757 395.916 1.00 0.00 C ATOM 925 CE2 PHE A 56 288.547 125.901 397.476 1.00 0.00 C ATOM 926 CZ PHE A 56 289.496 124.933 397.211 1.00 0.00 C ATOM 0 H PHE A 56 288.514 126.361 391.826 1.00 0.00 H new ATOM 0 HA PHE A 56 286.836 125.048 393.662 1.00 0.00 H new ATOM 0 HB2 PHE A 56 288.311 127.633 393.446 1.00 0.00 H new ATOM 0 HB3 PHE A 56 286.891 127.714 394.470 1.00 0.00 H new ATOM 0 HD1 PHE A 56 289.713 125.302 393.868 1.00 0.00 H new ATOM 0 HD2 PHE A 56 287.334 127.446 396.664 1.00 0.00 H new ATOM 0 HE1 PHE A 56 290.748 124.062 395.715 1.00 0.00 H new ATOM 0 HE2 PHE A 56 288.216 126.071 398.490 1.00 0.00 H new ATOM 0 HZ PHE A 56 289.884 124.318 398.010 1.00 0.00 H new ATOM 936 N VAL A 57 285.246 127.332 391.860 1.00 0.00 N ATOM 937 CA VAL A 57 283.993 127.812 391.283 1.00 0.00 C ATOM 938 C VAL A 57 283.187 126.779 390.514 1.00 0.00 C ATOM 939 O VAL A 57 281.961 126.754 390.584 1.00 0.00 O ATOM 940 CB VAL A 57 283.696 129.313 391.241 1.00 0.00 C ATOM 941 CG1 VAL A 57 283.750 129.847 392.721 1.00 0.00 C ATOM 942 CG2 VAL A 57 284.462 130.161 390.199 1.00 0.00 C ATOM 0 H VAL A 57 286.041 127.773 391.397 1.00 0.00 H new ATOM 0 HA VAL A 57 283.245 127.969 392.060 1.00 0.00 H new ATOM 0 HB VAL A 57 282.693 129.442 390.834 1.00 0.00 H new ATOM 0 HG11 VAL A 57 283.542 130.917 392.730 1.00 0.00 H new ATOM 0 HG12 VAL A 57 283.004 129.328 393.323 1.00 0.00 H new ATOM 0 HG13 VAL A 57 284.741 129.666 393.137 1.00 0.00 H new ATOM 0 HG21 VAL A 57 284.154 131.203 390.281 1.00 0.00 H new ATOM 0 HG22 VAL A 57 285.533 130.084 390.384 1.00 0.00 H new ATOM 0 HG23 VAL A 57 284.239 129.794 389.197 1.00 0.00 H new ATOM 952 N GLU A 58 283.904 125.818 389.869 1.00 0.00 N ATOM 953 CA GLU A 58 283.415 124.530 389.359 1.00 0.00 C ATOM 954 C GLU A 58 282.898 123.637 390.525 1.00 0.00 C ATOM 955 O GLU A 58 281.828 123.045 390.410 1.00 0.00 O ATOM 956 CB GLU A 58 284.493 123.812 388.501 1.00 0.00 C ATOM 957 CG GLU A 58 283.987 122.597 387.697 1.00 0.00 C ATOM 958 CD GLU A 58 285.104 122.003 386.832 1.00 0.00 C ATOM 959 OE1 GLU A 58 286.256 122.510 386.882 1.00 0.00 O ATOM 960 OE2 GLU A 58 284.806 121.019 386.102 1.00 0.00 O1- ATOM 0 H GLU A 58 284.900 125.941 389.686 1.00 0.00 H new ATOM 0 HA GLU A 58 282.570 124.723 388.698 1.00 0.00 H new ATOM 0 HB2 GLU A 58 284.923 124.534 387.807 1.00 0.00 H new ATOM 0 HB3 GLU A 58 285.298 123.483 389.158 1.00 0.00 H new ATOM 0 HG2 GLU A 58 283.609 121.837 388.381 1.00 0.00 H new ATOM 0 HG3 GLU A 58 283.153 122.898 387.063 1.00 0.00 H new ATOM 967 N ALA A 59 283.598 123.621 391.721 1.00 0.00 N ATOM 968 CA ALA A 59 283.070 123.020 392.976 1.00 0.00 C ATOM 969 C ALA A 59 281.838 123.680 393.561 1.00 0.00 C ATOM 970 O ALA A 59 280.949 123.029 394.062 1.00 0.00 O ATOM 971 CB ALA A 59 283.970 123.162 394.233 1.00 0.00 C ATOM 0 H ALA A 59 284.530 124.023 391.824 1.00 0.00 H new ATOM 0 HA ALA A 59 282.938 122.008 392.593 1.00 0.00 H new ATOM 0 HB1 ALA A 59 283.483 122.687 395.085 1.00 0.00 H new ATOM 0 HB2 ALA A 59 284.930 122.680 394.049 1.00 0.00 H new ATOM 0 HB3 ALA A 59 284.129 124.218 394.449 1.00 0.00 H new ATOM 977 N TYR A 60 281.816 125.034 393.590 1.00 0.00 N ATOM 978 CA TYR A 60 280.931 125.986 394.272 1.00 0.00 C ATOM 979 C TYR A 60 279.394 125.738 394.038 1.00 0.00 C ATOM 980 O TYR A 60 278.510 126.209 394.735 1.00 0.00 O ATOM 981 CB TYR A 60 281.383 127.403 393.789 1.00 0.00 C ATOM 982 CG TYR A 60 281.139 128.692 394.553 1.00 0.00 C ATOM 983 CD1 TYR A 60 281.949 129.055 395.626 1.00 0.00 C ATOM 984 CD2 TYR A 60 280.328 129.679 394.009 1.00 0.00 C ATOM 985 CE1 TYR A 60 281.935 130.333 396.152 1.00 0.00 C ATOM 986 CE2 TYR A 60 280.313 130.963 394.529 1.00 0.00 C ATOM 987 CZ TYR A 60 281.121 131.293 395.594 1.00 0.00 C ATOM 988 OH TYR A 60 281.131 132.605 396.117 1.00 0.00 O ATOM 0 H TYR A 60 282.521 125.545 393.059 1.00 0.00 H new ATOM 0 HA TYR A 60 281.030 125.869 395.351 1.00 0.00 H new ATOM 0 HB2 TYR A 60 282.461 127.341 393.639 1.00 0.00 H new ATOM 0 HB3 TYR A 60 280.932 127.545 392.807 1.00 0.00 H new ATOM 0 HD1 TYR A 60 282.607 128.317 396.060 1.00 0.00 H new ATOM 0 HD2 TYR A 60 279.697 129.441 393.165 1.00 0.00 H new ATOM 0 HE1 TYR A 60 282.560 130.578 396.998 1.00 0.00 H new ATOM 0 HE2 TYR A 60 279.664 131.710 394.096 1.00 0.00 H new ATOM 0 HH TYR A 60 280.341 133.090 395.799 1.00 0.00 H new ATOM 998 N GLY A 61 279.065 124.893 393.036 1.00 0.00 N ATOM 999 CA GLY A 61 277.770 124.231 392.832 1.00 0.00 C ATOM 1000 C GLY A 61 277.524 122.875 393.528 1.00 0.00 C ATOM 1001 O GLY A 61 276.494 122.269 393.260 1.00 0.00 O ATOM 0 H GLY A 61 279.738 124.645 392.311 1.00 0.00 H new ATOM 0 HA2 GLY A 61 276.990 124.919 393.158 1.00 0.00 H new ATOM 0 HA3 GLY A 61 277.637 124.084 391.760 1.00 0.00 H new ATOM 1005 N LYS A 62 278.428 122.341 394.418 1.00 0.00 N ATOM 1006 CA LYS A 62 278.314 121.060 395.144 1.00 0.00 C ATOM 1007 C LYS A 62 277.707 121.140 396.553 1.00 0.00 C ATOM 1008 O LYS A 62 276.739 120.445 396.823 1.00 0.00 O ATOM 1009 CB LYS A 62 279.636 120.205 395.141 1.00 0.00 C ATOM 1010 CG LYS A 62 280.917 120.793 395.789 1.00 0.00 C ATOM 1011 CD LYS A 62 281.570 120.056 396.967 1.00 0.00 C ATOM 1012 CE LYS A 62 281.248 120.718 398.316 1.00 0.00 C ATOM 1013 NZ LYS A 62 282.202 120.300 399.369 1.00 0.00 N1+ ATOM 0 H LYS A 62 279.293 122.830 394.648 1.00 0.00 H new ATOM 0 HA LYS A 62 277.576 120.527 394.545 1.00 0.00 H new ATOM 0 HB2 LYS A 62 279.418 119.262 395.642 1.00 0.00 H new ATOM 0 HB3 LYS A 62 279.872 119.968 394.103 1.00 0.00 H new ATOM 0 HG2 LYS A 62 281.668 120.886 395.004 1.00 0.00 H new ATOM 0 HG3 LYS A 62 280.680 121.803 396.125 1.00 0.00 H new ATOM 0 HD2 LYS A 62 281.227 119.021 396.981 1.00 0.00 H new ATOM 0 HD3 LYS A 62 282.650 120.032 396.825 1.00 0.00 H new ATOM 0 HE2 LYS A 62 281.278 121.802 398.206 1.00 0.00 H new ATOM 0 HE3 LYS A 62 280.234 120.456 398.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 281.955 120.765 400.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 282.155 119.268 399.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 283.167 120.572 399.092 1.00 0.00 H new ATOM 1027 N ALA A 63 278.188 121.999 397.495 1.00 0.00 N ATOM 1028 CA ALA A 63 277.650 122.165 398.864 1.00 0.00 C ATOM 1029 C ALA A 63 276.611 123.289 398.947 1.00 0.00 C ATOM 1030 O ALA A 63 276.459 123.978 399.957 1.00 0.00 O ATOM 1031 CB ALA A 63 278.780 122.430 399.897 1.00 0.00 C ATOM 0 H ALA A 63 278.984 122.610 397.311 1.00 0.00 H new ATOM 0 HA ALA A 63 277.159 121.223 399.109 1.00 0.00 H new ATOM 0 HB1 ALA A 63 278.345 122.546 400.890 1.00 0.00 H new ATOM 0 HB2 ALA A 63 279.474 121.589 399.901 1.00 0.00 H new ATOM 0 HB3 ALA A 63 279.315 123.340 399.626 1.00 0.00 H new ATOM 1037 N ILE A 64 275.905 123.514 397.819 1.00 0.00 N ATOM 1038 CA ILE A 64 274.897 124.538 397.584 1.00 0.00 C ATOM 1039 C ILE A 64 273.484 124.133 398.079 1.00 0.00 C ATOM 1040 O ILE A 64 273.063 122.994 397.849 1.00 0.00 O ATOM 1041 CB ILE A 64 274.924 124.902 396.087 1.00 0.00 C ATOM 1042 CG1 ILE A 64 274.290 126.272 395.747 1.00 0.00 C ATOM 1043 CG2 ILE A 64 274.325 123.786 395.199 1.00 0.00 C ATOM 1044 CD1 ILE A 64 275.125 127.479 396.197 1.00 0.00 C ATOM 0 H ILE A 64 276.045 122.933 396.993 1.00 0.00 H new ATOM 0 HA ILE A 64 275.140 125.419 398.178 1.00 0.00 H new ATOM 0 HB ILE A 64 275.985 124.996 395.855 1.00 0.00 H new ATOM 0 HG12 ILE A 64 274.136 126.332 394.670 1.00 0.00 H new ATOM 0 HG13 ILE A 64 273.306 126.331 396.213 1.00 0.00 H new ATOM 0 HG21 ILE A 64 274.367 124.091 394.153 1.00 0.00 H new ATOM 0 HG22 ILE A 64 274.897 122.868 395.333 1.00 0.00 H new ATOM 0 HG23 ILE A 64 273.288 123.611 395.484 1.00 0.00 H new ATOM 0 HD11 ILE A 64 274.611 128.400 395.921 1.00 0.00 H new ATOM 0 HD12 ILE A 64 275.257 127.447 397.278 1.00 0.00 H new ATOM 0 HD13 ILE A 64 276.100 127.448 395.711 1.00 0.00 H new ATOM 1056 N PRO A 65 272.706 124.977 398.801 1.00 0.00 N ATOM 1057 CA PRO A 65 271.317 124.695 399.167 1.00 0.00 C ATOM 1058 C PRO A 65 270.343 125.123 398.030 1.00 0.00 C ATOM 1059 O PRO A 65 270.719 125.978 397.223 1.00 0.00 O ATOM 1060 CB PRO A 65 271.155 125.571 400.427 1.00 0.00 C ATOM 1061 CG PRO A 65 271.977 126.831 400.128 1.00 0.00 C ATOM 1062 CD PRO A 65 273.150 126.281 399.308 1.00 0.00 C ATOM 0 HA PRO A 65 271.095 123.641 399.334 1.00 0.00 H new ATOM 0 HB2 PRO A 65 270.108 125.814 400.609 1.00 0.00 H new ATOM 0 HB3 PRO A 65 271.523 125.059 401.316 1.00 0.00 H new ATOM 0 HG2 PRO A 65 271.401 127.567 399.567 1.00 0.00 H new ATOM 0 HG3 PRO A 65 272.315 127.320 401.041 1.00 0.00 H new ATOM 0 HD2 PRO A 65 273.404 126.953 398.489 1.00 0.00 H new ATOM 0 HD3 PRO A 65 274.043 126.178 399.924 1.00 0.00 H new ATOM 1070 N PRO A 66 269.097 124.615 397.897 1.00 0.00 N ATOM 1071 CA PRO A 66 268.149 124.995 396.836 1.00 0.00 C ATOM 1072 C PRO A 66 267.411 126.313 397.163 1.00 0.00 C ATOM 1073 O PRO A 66 266.195 126.300 397.351 1.00 0.00 O ATOM 1074 CB PRO A 66 267.210 123.771 396.802 1.00 0.00 C ATOM 1075 CG PRO A 66 267.150 123.293 398.258 1.00 0.00 C ATOM 1076 CD PRO A 66 268.570 123.558 398.763 1.00 0.00 C ATOM 0 HA PRO A 66 268.617 125.205 395.874 1.00 0.00 H new ATOM 0 HB2 PRO A 66 266.221 124.040 396.431 1.00 0.00 H new ATOM 0 HB3 PRO A 66 267.596 122.992 396.144 1.00 0.00 H new ATOM 0 HG2 PRO A 66 266.407 123.844 398.834 1.00 0.00 H new ATOM 0 HG3 PRO A 66 266.887 122.237 398.326 1.00 0.00 H new ATOM 0 HD2 PRO A 66 268.564 123.871 399.807 1.00 0.00 H new ATOM 0 HD3 PRO A 66 269.183 122.659 398.703 1.00 0.00 H new ATOM 1084 N ALA A 67 268.144 127.452 397.231 1.00 0.00 N ATOM 1085 CA ALA A 67 267.648 128.769 397.581 1.00 0.00 C ATOM 1086 C ALA A 67 268.737 129.768 397.158 1.00 0.00 C ATOM 1087 O ALA A 67 269.840 129.306 396.860 1.00 0.00 O ATOM 1088 CB ALA A 67 267.354 128.810 399.107 1.00 0.00 C ATOM 0 H ALA A 67 269.144 127.457 397.030 1.00 0.00 H new ATOM 0 HA ALA A 67 266.715 129.020 397.077 1.00 0.00 H new ATOM 0 HB1 ALA A 67 266.980 129.797 399.379 1.00 0.00 H new ATOM 0 HB2 ALA A 67 266.605 128.058 399.354 1.00 0.00 H new ATOM 0 HB3 ALA A 67 268.271 128.604 399.660 1.00 0.00 H new ATOM 1094 N PRO A 68 268.552 131.111 397.077 1.00 0.00 N ATOM 1095 CA PRO A 68 269.587 132.072 396.648 1.00 0.00 C ATOM 1096 C PRO A 68 270.637 132.376 397.752 1.00 0.00 C ATOM 1097 O PRO A 68 270.362 132.054 398.912 1.00 0.00 O ATOM 1098 CB PRO A 68 268.746 133.320 396.300 1.00 0.00 C ATOM 1099 CG PRO A 68 267.562 133.265 397.267 1.00 0.00 C ATOM 1100 CD PRO A 68 267.269 131.765 397.340 1.00 0.00 C ATOM 0 HA PRO A 68 270.193 131.697 395.823 1.00 0.00 H new ATOM 0 HB2 PRO A 68 269.322 134.236 396.430 1.00 0.00 H new ATOM 0 HB3 PRO A 68 268.413 133.297 395.262 1.00 0.00 H new ATOM 0 HG2 PRO A 68 267.815 133.678 398.244 1.00 0.00 H new ATOM 0 HG3 PRO A 68 266.707 133.829 396.895 1.00 0.00 H new ATOM 0 HD2 PRO A 68 266.879 131.487 398.319 1.00 0.00 H new ATOM 0 HD3 PRO A 68 266.520 131.474 396.604 1.00 0.00 H new ATOM 1108 N PRO A 69 271.823 132.983 397.477 1.00 0.00 N ATOM 1109 CA PRO A 69 272.884 133.232 398.466 1.00 0.00 C ATOM 1110 C PRO A 69 272.578 134.435 399.382 1.00 0.00 C ATOM 1111 O PRO A 69 273.195 135.494 399.265 1.00 0.00 O ATOM 1112 CB PRO A 69 274.138 133.420 397.588 1.00 0.00 C ATOM 1113 CG PRO A 69 273.615 134.009 396.278 1.00 0.00 C ATOM 1114 CD PRO A 69 272.250 133.330 396.120 1.00 0.00 C ATOM 0 HA PRO A 69 273.002 132.420 399.184 1.00 0.00 H new ATOM 0 HB2 PRO A 69 274.856 134.088 398.063 1.00 0.00 H new ATOM 0 HB3 PRO A 69 274.648 132.472 397.419 1.00 0.00 H new ATOM 0 HG2 PRO A 69 273.523 135.094 396.331 1.00 0.00 H new ATOM 0 HG3 PRO A 69 274.277 133.785 395.441 1.00 0.00 H new ATOM 0 HD2 PRO A 69 271.533 133.998 395.642 1.00 0.00 H new ATOM 0 HD3 PRO A 69 272.325 132.441 395.493 1.00 0.00 H new ATOM 1122 N ALA A 70 271.619 134.238 400.322 1.00 0.00 N ATOM 1123 CA ALA A 70 271.145 135.162 401.336 1.00 0.00 C ATOM 1124 C ALA A 70 271.986 135.051 402.619 1.00 0.00 C ATOM 1125 O ALA A 70 272.808 134.134 402.696 1.00 0.00 O ATOM 1126 CB ALA A 70 269.657 134.823 401.595 1.00 0.00 C ATOM 0 H ALA A 70 271.127 133.346 400.379 1.00 0.00 H new ATOM 0 HA ALA A 70 271.243 136.194 400.999 1.00 0.00 H new ATOM 0 HB1 ALA A 70 269.257 135.496 402.354 1.00 0.00 H new ATOM 0 HB2 ALA A 70 269.091 134.941 400.671 1.00 0.00 H new ATOM 0 HB3 ALA A 70 269.574 133.793 401.943 1.00 0.00 H new ATOM 1132 N PRO A 71 271.889 135.928 403.649 1.00 0.00 N ATOM 1133 CA PRO A 71 272.769 135.913 404.832 1.00 0.00 C ATOM 1134 C PRO A 71 272.570 134.706 405.785 1.00 0.00 C ATOM 1135 O PRO A 71 271.449 134.200 405.848 1.00 0.00 O ATOM 1136 CB PRO A 71 272.450 137.254 405.536 1.00 0.00 C ATOM 1137 CG PRO A 71 271.882 138.145 404.430 1.00 0.00 C ATOM 1138 CD PRO A 71 271.079 137.143 403.607 1.00 0.00 C ATOM 0 HA PRO A 71 273.811 135.803 404.533 1.00 0.00 H new ATOM 0 HB2 PRO A 71 271.730 137.117 406.343 1.00 0.00 H new ATOM 0 HB3 PRO A 71 273.345 137.692 405.978 1.00 0.00 H new ATOM 0 HG2 PRO A 71 271.255 138.943 404.829 1.00 0.00 H new ATOM 0 HG3 PRO A 71 272.668 138.620 403.843 1.00 0.00 H new ATOM 0 HD2 PRO A 71 270.089 136.978 404.032 1.00 0.00 H new ATOM 0 HD3 PRO A 71 270.933 137.491 402.584 1.00 0.00 H new ATOM 1146 N PRO A 72 273.581 134.220 406.539 1.00 0.00 N ATOM 1147 CA PRO A 72 273.470 133.057 407.423 1.00 0.00 C ATOM 1148 C PRO A 72 272.698 133.358 408.719 1.00 0.00 C ATOM 1149 O PRO A 72 272.778 134.460 409.263 1.00 0.00 O ATOM 1150 CB PRO A 72 274.940 132.663 407.675 1.00 0.00 C ATOM 1151 CG PRO A 72 275.729 133.971 407.549 1.00 0.00 C ATOM 1152 CD PRO A 72 274.935 134.773 406.524 1.00 0.00 C ATOM 0 HA PRO A 72 272.889 132.248 406.979 1.00 0.00 H new ATOM 0 HB2 PRO A 72 275.066 132.220 408.663 1.00 0.00 H new ATOM 0 HB3 PRO A 72 275.281 131.925 406.949 1.00 0.00 H new ATOM 0 HG2 PRO A 72 275.794 134.493 408.503 1.00 0.00 H new ATOM 0 HG3 PRO A 72 276.751 133.792 407.214 1.00 0.00 H new ATOM 0 HD2 PRO A 72 274.926 135.833 406.780 1.00 0.00 H new ATOM 0 HD3 PRO A 72 275.380 134.688 405.533 1.00 0.00 H new ATOM 1160 N LEU A 73 271.938 132.356 409.221 1.00 0.00 N ATOM 1161 CA LEU A 73 271.115 132.418 410.415 1.00 0.00 C ATOM 1162 C LEU A 73 271.695 131.459 411.448 1.00 0.00 C ATOM 1163 O LEU A 73 272.265 130.429 411.095 1.00 0.00 O ATOM 1164 CB LEU A 73 269.632 132.099 410.066 1.00 0.00 C ATOM 1165 CG LEU A 73 268.589 132.430 411.169 1.00 0.00 C ATOM 1166 CD1 LEU A 73 268.560 133.923 411.557 1.00 0.00 C ATOM 1167 CD2 LEU A 73 267.170 131.977 410.777 1.00 0.00 C ATOM 0 H LEU A 73 271.892 131.443 408.768 1.00 0.00 H new ATOM 0 HA LEU A 73 271.121 133.423 410.838 1.00 0.00 H new ATOM 0 HB2 LEU A 73 269.365 132.649 409.164 1.00 0.00 H new ATOM 0 HB3 LEU A 73 269.555 131.038 409.827 1.00 0.00 H new ATOM 0 HG LEU A 73 268.918 131.866 412.042 1.00 0.00 H new ATOM 0 HD11 LEU A 73 267.810 134.083 412.331 1.00 0.00 H new ATOM 0 HD12 LEU A 73 269.539 134.220 411.933 1.00 0.00 H new ATOM 0 HD13 LEU A 73 268.311 134.522 410.681 1.00 0.00 H new ATOM 0 HD21 LEU A 73 266.474 132.228 411.577 1.00 0.00 H new ATOM 0 HD22 LEU A 73 266.867 132.483 409.860 1.00 0.00 H new ATOM 0 HD23 LEU A 73 267.164 130.899 410.616 1.00 0.00 H new ATOM 1179 N THR A 74 271.574 131.846 412.747 1.00 0.00 N ATOM 1180 CA THR A 74 272.078 131.191 413.971 1.00 0.00 C ATOM 1181 C THR A 74 273.553 131.541 414.200 1.00 0.00 C ATOM 1182 O THR A 74 274.371 130.703 414.567 1.00 0.00 O ATOM 1183 CB THR A 74 271.809 129.679 414.137 1.00 0.00 C ATOM 1184 OG1 THR A 74 270.470 129.359 413.790 1.00 0.00 O ATOM 1185 CG2 THR A 74 271.939 129.213 415.606 1.00 0.00 C ATOM 0 H THR A 74 271.074 132.705 412.978 1.00 0.00 H new ATOM 0 HA THR A 74 271.460 131.616 414.762 1.00 0.00 H new ATOM 0 HB THR A 74 272.544 129.194 413.495 1.00 0.00 H new ATOM 0 HG1 THR A 74 270.324 128.396 413.901 1.00 0.00 H new ATOM 0 HG21 THR A 74 271.740 128.143 415.667 1.00 0.00 H new ATOM 0 HG22 THR A 74 272.948 129.416 415.964 1.00 0.00 H new ATOM 0 HG23 THR A 74 271.220 129.752 416.224 1.00 0.00 H new ATOM 1193 N LEU A 75 273.930 132.827 413.962 1.00 0.00 N ATOM 1194 CA LEU A 75 275.294 133.342 414.027 1.00 0.00 C ATOM 1195 C LEU A 75 275.714 134.037 415.321 1.00 0.00 C ATOM 1196 O LEU A 75 276.904 134.065 415.617 1.00 0.00 O ATOM 1197 CB LEU A 75 275.651 134.198 412.767 1.00 0.00 C ATOM 1198 CG LEU A 75 275.066 135.639 412.656 1.00 0.00 C ATOM 1199 CD1 LEU A 75 275.666 136.412 411.464 1.00 0.00 C ATOM 1200 CD2 LEU A 75 273.529 135.713 412.555 1.00 0.00 C ATOM 0 H LEU A 75 273.253 133.548 413.711 1.00 0.00 H new ATOM 0 HA LEU A 75 275.897 132.434 414.031 1.00 0.00 H new ATOM 0 HB2 LEU A 75 276.737 134.276 412.716 1.00 0.00 H new ATOM 0 HB3 LEU A 75 275.330 133.641 411.886 1.00 0.00 H new ATOM 0 HG LEU A 75 275.352 136.101 413.601 1.00 0.00 H new ATOM 0 HD11 LEU A 75 275.232 137.411 411.423 1.00 0.00 H new ATOM 0 HD12 LEU A 75 276.746 136.491 411.588 1.00 0.00 H new ATOM 0 HD13 LEU A 75 275.445 135.881 410.538 1.00 0.00 H new ATOM 0 HD21 LEU A 75 273.219 136.755 412.482 1.00 0.00 H new ATOM 0 HD22 LEU A 75 273.196 135.172 411.669 1.00 0.00 H new ATOM 0 HD23 LEU A 75 273.084 135.264 413.443 1.00 0.00 H new ATOM 1212 N SER A 76 274.792 134.620 416.134 1.00 0.00 N ATOM 1213 CA SER A 76 275.125 135.317 417.382 1.00 0.00 C ATOM 1214 C SER A 76 274.415 134.752 418.599 1.00 0.00 C ATOM 1215 O SER A 76 275.063 134.181 419.470 1.00 0.00 O ATOM 1216 CB SER A 76 274.954 136.865 417.292 1.00 0.00 C ATOM 1217 OG SER A 76 273.614 137.293 417.005 1.00 0.00 O ATOM 0 H SER A 76 273.793 134.613 415.930 1.00 0.00 H new ATOM 0 HA SER A 76 276.189 135.125 417.523 1.00 0.00 H new ATOM 0 HB2 SER A 76 275.271 137.310 418.235 1.00 0.00 H new ATOM 0 HB3 SER A 76 275.620 137.249 416.519 1.00 0.00 H new ATOM 0 HG SER A 76 273.585 138.272 416.966 1.00 0.00 H new ATOM 1223 N LYS A 77 273.065 134.929 418.683 1.00 0.00 N ATOM 1224 CA LYS A 77 272.101 134.567 419.738 1.00 0.00 C ATOM 1225 C LYS A 77 272.306 133.249 420.497 1.00 0.00 C ATOM 1226 O LYS A 77 272.686 133.247 421.661 1.00 0.00 O ATOM 1227 CB LYS A 77 270.645 134.639 419.184 1.00 0.00 C ATOM 1228 CG LYS A 77 270.303 135.945 418.437 1.00 0.00 C ATOM 1229 CD LYS A 77 270.435 137.228 419.277 1.00 0.00 C ATOM 1230 CE LYS A 77 269.464 137.294 420.466 1.00 0.00 C ATOM 1231 NZ LYS A 77 269.588 138.588 421.178 1.00 0.00 N1+ ATOM 0 H LYS A 77 272.578 135.386 417.912 1.00 0.00 H new ATOM 0 HA LYS A 77 272.295 135.319 420.503 1.00 0.00 H new ATOM 0 HB2 LYS A 77 270.486 133.798 418.509 1.00 0.00 H new ATOM 0 HB3 LYS A 77 269.949 134.518 420.014 1.00 0.00 H new ATOM 0 HG2 LYS A 77 270.954 136.030 417.567 1.00 0.00 H new ATOM 0 HG3 LYS A 77 269.281 135.876 418.065 1.00 0.00 H new ATOM 0 HD2 LYS A 77 271.457 137.304 419.650 1.00 0.00 H new ATOM 0 HD3 LYS A 77 270.266 138.091 418.633 1.00 0.00 H new ATOM 0 HE2 LYS A 77 268.441 137.165 420.113 1.00 0.00 H new ATOM 0 HE3 LYS A 77 269.669 136.474 421.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 268.923 138.610 421.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 270.559 138.697 421.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 269.369 139.366 420.524 1.00 0.00 H new ATOM 1245 N LEU A 78 272.091 132.093 419.820 1.00 0.00 N ATOM 1246 CA LEU A 78 272.311 130.741 420.335 1.00 0.00 C ATOM 1247 C LEU A 78 273.556 130.186 419.638 1.00 0.00 C ATOM 1248 O LEU A 78 273.546 129.105 419.053 1.00 0.00 O ATOM 1249 CB LEU A 78 271.092 129.792 420.105 1.00 0.00 C ATOM 1250 CG LEU A 78 269.862 130.036 421.015 1.00 0.00 C ATOM 1251 CD1 LEU A 78 269.018 131.263 420.629 1.00 0.00 C ATOM 1252 CD2 LEU A 78 268.960 128.790 421.028 1.00 0.00 C ATOM 0 H LEU A 78 271.745 132.090 418.861 1.00 0.00 H new ATOM 0 HA LEU A 78 272.444 130.793 421.416 1.00 0.00 H new ATOM 0 HB2 LEU A 78 270.775 129.885 419.066 1.00 0.00 H new ATOM 0 HB3 LEU A 78 271.425 128.764 420.246 1.00 0.00 H new ATOM 0 HG LEU A 78 270.269 130.239 422.006 1.00 0.00 H new ATOM 0 HD11 LEU A 78 268.179 131.358 421.318 1.00 0.00 H new ATOM 0 HD12 LEU A 78 269.635 132.160 420.682 1.00 0.00 H new ATOM 0 HD13 LEU A 78 268.642 131.141 419.613 1.00 0.00 H new ATOM 0 HD21 LEU A 78 268.098 128.971 421.670 1.00 0.00 H new ATOM 0 HD22 LEU A 78 268.619 128.577 420.015 1.00 0.00 H new ATOM 0 HD23 LEU A 78 269.523 127.937 421.408 1.00 0.00 H new ATOM 1264 N GLU A 79 274.661 130.971 419.672 1.00 0.00 N ATOM 1265 CA GLU A 79 275.923 130.688 419.011 1.00 0.00 C ATOM 1266 C GLU A 79 276.991 131.562 419.665 1.00 0.00 C ATOM 1267 O GLU A 79 277.054 131.678 420.886 1.00 0.00 O ATOM 1268 CB GLU A 79 275.817 130.964 417.476 1.00 0.00 C ATOM 1269 CG GLU A 79 276.883 130.287 416.579 1.00 0.00 C ATOM 1270 CD GLU A 79 276.752 128.767 416.660 1.00 0.00 C ATOM 1271 OE1 GLU A 79 275.675 128.240 416.273 1.00 0.00 O ATOM 1272 OE2 GLU A 79 277.730 128.111 417.110 1.00 0.00 O1- ATOM 0 H GLU A 79 274.680 131.851 420.187 1.00 0.00 H new ATOM 0 HA GLU A 79 276.187 129.636 419.121 1.00 0.00 H new ATOM 0 HB2 GLU A 79 274.832 130.642 417.138 1.00 0.00 H new ATOM 0 HB3 GLU A 79 275.872 132.041 417.318 1.00 0.00 H new ATOM 0 HG2 GLU A 79 276.762 130.615 415.547 1.00 0.00 H new ATOM 0 HG3 GLU A 79 277.881 130.591 416.895 1.00 0.00 H new ATOM 1279 N HIS A 80 277.864 132.215 418.856 1.00 0.00 N ATOM 1280 CA HIS A 80 278.917 133.098 419.318 1.00 0.00 C ATOM 1281 C HIS A 80 279.341 133.994 418.158 1.00 0.00 C ATOM 1282 O HIS A 80 280.471 134.483 418.094 1.00 0.00 O ATOM 1283 CB HIS A 80 280.115 132.313 419.936 1.00 0.00 C ATOM 1284 CG HIS A 80 280.875 133.079 420.984 1.00 0.00 C ATOM 1285 ND1 HIS A 80 281.696 134.152 420.718 1.00 0.00 N ATOM 1286 CD2 HIS A 80 280.875 132.939 422.336 1.00 0.00 C ATOM 1287 CE1 HIS A 80 282.156 134.602 421.910 1.00 0.00 C ATOM 1288 NE2 HIS A 80 281.684 133.897 422.918 1.00 0.00 N ATOM 0 H HIS A 80 277.837 132.126 417.840 1.00 0.00 H new ATOM 0 HA HIS A 80 278.538 133.721 420.128 1.00 0.00 H new ATOM 0 HB2 HIS A 80 279.741 131.388 420.376 1.00 0.00 H new ATOM 0 HB3 HIS A 80 280.802 132.031 419.138 1.00 0.00 H new ATOM 0 HD1 HIS A 80 281.916 134.535 419.799 1.00 0.00 H new ATOM 0 HD2 HIS A 80 280.322 132.187 422.878 1.00 0.00 H new ATOM 0 HE1 HIS A 80 282.829 135.439 422.021 1.00 0.00 H new TER 1296 HIS A 80