USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 567 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 8 SER OG : rot -1:sc= 1.34 USER MOD Set 1.2: A 10 GLN : amide:sc= -0.456 K(o=0.89,f=-9.5!) USER MOD Single : A 1 GLY N :NH3+ 173:sc= 0 (180deg=-0.054) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc=-0.00823 USER MOD Single : A 9 THR OG1 : rot -57:sc= 0.542 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.0741 USER MOD Single : A 13 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.326) USER MOD Single : A 16 TYR OH : rot 128:sc= -0.783 USER MOD Single : A 17 ASN : amide:sc= -0.12 X(o=-0.12,f=-0.0077) USER MOD Single : A 24 ASN : amide:sc= -0.083 X(o=-0.083,f=0) USER MOD Single : A 30 SER OG : rot 180:sc= -0.049 USER MOD Single : A 33 GLN : amide:sc= -1.3 K(o=-1.3,f=-4.5!) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= -0.0521 (180deg=-0.0521) USER MOD Single : A 39 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00177) USER MOD Single : A 43 HIS : no HD1:sc= -0.082 X(o=-0.082,f=-0.19) USER MOD Single : A 44 LYS NZ :NH3+ -172:sc= -0.854 (180deg=-0.98) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot -39:sc= -0.871 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 158:sc= -0.0368 (180deg=-0.31) USER MOD Single : A 62 ASN : amide:sc= -1.14 K(o=-1.1,f=-2.4) USER MOD Single : A 67 THR OG1 : rot -74:sc= 0.858 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.223 9.230 7.199 1.00 0.00 N ATOM 2 CA GLY A 1 -9.632 9.336 8.520 1.00 0.00 C ATOM 3 C GLY A 1 -8.289 8.639 8.613 1.00 0.00 C ATOM 4 O GLY A 1 -7.987 7.990 9.614 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.188 9.617 7.218 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.648 9.766 6.518 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.257 8.231 6.913 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.510 10.388 8.776 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.313 8.906 9.255 1.00 0.00 H new ATOM 8 N SER A 2 -7.482 8.771 7.565 1.00 0.00 N ATOM 9 CA SER A 2 -6.166 8.144 7.530 1.00 0.00 C ATOM 10 C SER A 2 -5.101 9.141 7.086 1.00 0.00 C ATOM 11 O SER A 2 -5.366 10.031 6.277 1.00 0.00 O ATOM 12 CB SER A 2 -6.178 6.939 6.587 1.00 0.00 C ATOM 13 OG SER A 2 -6.586 7.315 5.283 1.00 0.00 O ATOM 0 H SER A 2 -7.716 9.306 6.729 1.00 0.00 H new ATOM 0 HA SER A 2 -5.924 7.806 8.538 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.183 6.495 6.546 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.852 6.176 6.976 1.00 0.00 H new ATOM 0 HG SER A 2 -6.584 6.528 4.700 1.00 0.00 H new ATOM 19 N SER A 3 -3.894 8.986 7.621 1.00 0.00 N ATOM 20 CA SER A 3 -2.788 9.874 7.284 1.00 0.00 C ATOM 21 C SER A 3 -2.485 9.823 5.790 1.00 0.00 C ATOM 22 O SER A 3 -2.263 8.752 5.227 1.00 0.00 O ATOM 23 CB SER A 3 -1.539 9.494 8.082 1.00 0.00 C ATOM 24 OG SER A 3 -1.560 10.081 9.372 1.00 0.00 O ATOM 0 H SER A 3 -3.657 8.253 8.290 1.00 0.00 H new ATOM 0 HA SER A 3 -3.081 10.892 7.543 1.00 0.00 H new ATOM 0 HB2 SER A 3 -1.478 8.410 8.173 1.00 0.00 H new ATOM 0 HB3 SER A 3 -0.648 9.819 7.545 1.00 0.00 H new ATOM 0 HG SER A 3 -0.752 9.822 9.863 1.00 0.00 H new ATOM 30 N GLY A 4 -2.479 10.990 5.153 1.00 0.00 N ATOM 31 CA GLY A 4 -2.203 11.056 3.729 1.00 0.00 C ATOM 32 C GLY A 4 -1.412 12.292 3.350 1.00 0.00 C ATOM 33 O GLY A 4 -0.477 12.219 2.552 1.00 0.00 O ATOM 0 H GLY A 4 -2.660 11.890 5.597 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -1.649 10.167 3.428 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -3.144 11.047 3.179 1.00 0.00 H new ATOM 37 N SER A 5 -1.788 13.432 3.920 1.00 0.00 N ATOM 38 CA SER A 5 -1.111 14.691 3.633 1.00 0.00 C ATOM 39 C SER A 5 0.402 14.499 3.599 1.00 0.00 C ATOM 40 O SER A 5 1.055 14.801 2.600 1.00 0.00 O ATOM 41 CB SER A 5 -1.479 15.744 4.680 1.00 0.00 C ATOM 42 OG SER A 5 -1.238 17.053 4.194 1.00 0.00 O ATOM 0 H SER A 5 -2.558 13.510 4.584 1.00 0.00 H new ATOM 0 HA SER A 5 -1.439 15.035 2.652 1.00 0.00 H new ATOM 0 HB2 SER A 5 -2.530 15.641 4.950 1.00 0.00 H new ATOM 0 HB3 SER A 5 -0.899 15.577 5.588 1.00 0.00 H new ATOM 0 HG SER A 5 -1.483 17.707 4.881 1.00 0.00 H new ATOM 48 N SER A 6 0.953 13.994 4.698 1.00 0.00 N ATOM 49 CA SER A 6 2.389 13.764 4.797 1.00 0.00 C ATOM 50 C SER A 6 2.709 12.807 5.942 1.00 0.00 C ATOM 51 O SER A 6 1.827 12.421 6.707 1.00 0.00 O ATOM 52 CB SER A 6 3.126 15.088 5.004 1.00 0.00 C ATOM 53 OG SER A 6 4.507 14.955 4.714 1.00 0.00 O ATOM 0 H SER A 6 0.426 13.736 5.533 1.00 0.00 H new ATOM 0 HA SER A 6 2.724 13.311 3.864 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.689 15.855 4.364 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.998 15.422 6.034 1.00 0.00 H new ATOM 0 HG SER A 6 4.955 15.816 4.853 1.00 0.00 H new ATOM 59 N GLY A 7 3.979 12.429 6.052 1.00 0.00 N ATOM 60 CA GLY A 7 4.394 11.521 7.105 1.00 0.00 C ATOM 61 C GLY A 7 3.597 10.231 7.106 1.00 0.00 C ATOM 62 O GLY A 7 3.095 9.804 8.145 1.00 0.00 O ATOM 0 H GLY A 7 4.728 12.735 5.431 1.00 0.00 H new ATOM 0 HA2 GLY A 7 5.453 11.290 6.985 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.282 12.014 8.071 1.00 0.00 H new ATOM 66 N SER A 8 3.480 9.609 5.937 1.00 0.00 N ATOM 67 CA SER A 8 2.734 8.363 5.805 1.00 0.00 C ATOM 68 C SER A 8 3.651 7.226 5.364 1.00 0.00 C ATOM 69 O SER A 8 4.003 7.116 4.189 1.00 0.00 O ATOM 70 CB SER A 8 1.592 8.532 4.801 1.00 0.00 C ATOM 71 OG SER A 8 0.709 7.424 4.843 1.00 0.00 O ATOM 0 H SER A 8 3.892 9.948 5.068 1.00 0.00 H new ATOM 0 HA SER A 8 2.316 8.112 6.780 1.00 0.00 H new ATOM 0 HB2 SER A 8 1.043 9.448 5.021 1.00 0.00 H new ATOM 0 HB3 SER A 8 2.000 8.638 3.796 1.00 0.00 H new ATOM 0 HG SER A 8 1.033 6.772 5.499 1.00 0.00 H new ATOM 77 N THR A 9 4.034 6.380 6.315 1.00 0.00 N ATOM 78 CA THR A 9 4.910 5.251 6.027 1.00 0.00 C ATOM 79 C THR A 9 4.107 4.027 5.603 1.00 0.00 C ATOM 80 O THR A 9 4.457 2.897 5.941 1.00 0.00 O ATOM 81 CB THR A 9 5.776 4.886 7.247 1.00 0.00 C ATOM 82 OG1 THR A 9 6.782 3.940 6.869 1.00 0.00 O ATOM 83 CG2 THR A 9 4.920 4.305 8.363 1.00 0.00 C ATOM 0 H THR A 9 3.751 6.455 7.292 1.00 0.00 H new ATOM 0 HA THR A 9 5.561 5.557 5.208 1.00 0.00 H new ATOM 0 HB THR A 9 6.253 5.796 7.612 1.00 0.00 H new ATOM 0 HG1 THR A 9 6.356 3.149 6.477 1.00 0.00 H new ATOM 0 HG21 THR A 9 5.553 4.055 9.214 1.00 0.00 H new ATOM 0 HG22 THR A 9 4.174 5.039 8.669 1.00 0.00 H new ATOM 0 HG23 THR A 9 4.419 3.405 8.006 1.00 0.00 H new ATOM 91 N GLN A 10 3.030 4.259 4.859 1.00 0.00 N ATOM 92 CA GLN A 10 2.178 3.174 4.389 1.00 0.00 C ATOM 93 C GLN A 10 2.433 2.881 2.914 1.00 0.00 C ATOM 94 O GLN A 10 1.497 2.679 2.139 1.00 0.00 O ATOM 95 CB GLN A 10 0.705 3.523 4.605 1.00 0.00 C ATOM 96 CG GLN A 10 0.251 3.382 6.049 1.00 0.00 C ATOM 97 CD GLN A 10 0.670 4.556 6.910 1.00 0.00 C ATOM 98 OE1 GLN A 10 1.343 5.475 6.442 1.00 0.00 O ATOM 99 NE2 GLN A 10 0.274 4.532 8.178 1.00 0.00 N ATOM 0 H GLN A 10 2.727 5.189 4.569 1.00 0.00 H new ATOM 0 HA GLN A 10 2.420 2.281 4.965 1.00 0.00 H new ATOM 0 HB2 GLN A 10 0.531 4.548 4.277 1.00 0.00 H new ATOM 0 HB3 GLN A 10 0.092 2.878 3.976 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -0.834 3.285 6.077 1.00 0.00 H new ATOM 0 HG3 GLN A 10 0.664 2.464 6.467 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -0.283 3.750 8.524 1.00 0.00 H new ATOM 0 HE22 GLN A 10 0.527 5.295 8.806 1.00 0.00 H new ATOM 108 N THR A 11 3.706 2.860 2.531 1.00 0.00 N ATOM 109 CA THR A 11 4.084 2.595 1.149 1.00 0.00 C ATOM 110 C THR A 11 4.103 1.097 0.863 1.00 0.00 C ATOM 111 O THR A 11 3.311 0.599 0.063 1.00 0.00 O ATOM 112 CB THR A 11 5.468 3.186 0.822 1.00 0.00 C ATOM 113 OG1 THR A 11 6.383 2.912 1.889 1.00 0.00 O ATOM 114 CG2 THR A 11 5.376 4.688 0.598 1.00 0.00 C ATOM 0 H THR A 11 4.493 3.024 3.159 1.00 0.00 H new ATOM 0 HA THR A 11 3.335 3.074 0.518 1.00 0.00 H new ATOM 0 HB THR A 11 5.830 2.720 -0.094 1.00 0.00 H new ATOM 0 HG1 THR A 11 7.261 3.290 1.672 1.00 0.00 H new ATOM 0 HG21 THR A 11 6.366 5.083 0.369 1.00 0.00 H new ATOM 0 HG22 THR A 11 4.702 4.891 -0.234 1.00 0.00 H new ATOM 0 HG23 THR A 11 4.994 5.168 1.499 1.00 0.00 H new ATOM 122 N ASP A 12 5.011 0.385 1.521 1.00 0.00 N ATOM 123 CA ASP A 12 5.131 -1.056 1.338 1.00 0.00 C ATOM 124 C ASP A 12 4.278 -1.807 2.356 1.00 0.00 C ATOM 125 O ASP A 12 3.710 -2.857 2.054 1.00 0.00 O ATOM 126 CB ASP A 12 6.593 -1.488 1.462 1.00 0.00 C ATOM 127 CG ASP A 12 7.180 -1.158 2.820 1.00 0.00 C ATOM 128 OD1 ASP A 12 6.996 -0.013 3.285 1.00 0.00 O ATOM 129 OD2 ASP A 12 7.823 -2.044 3.420 1.00 0.00 O ATOM 0 H ASP A 12 5.675 0.782 2.186 1.00 0.00 H new ATOM 0 HA ASP A 12 4.771 -1.301 0.339 1.00 0.00 H new ATOM 0 HB2 ASP A 12 6.668 -2.561 1.288 1.00 0.00 H new ATOM 0 HB3 ASP A 12 7.181 -0.998 0.686 1.00 0.00 H new ATOM 134 N LYS A 13 4.193 -1.262 3.565 1.00 0.00 N ATOM 135 CA LYS A 13 3.410 -1.878 4.629 1.00 0.00 C ATOM 136 C LYS A 13 1.955 -2.051 4.204 1.00 0.00 C ATOM 137 O LYS A 13 1.323 -3.059 4.517 1.00 0.00 O ATOM 138 CB LYS A 13 3.483 -1.030 5.901 1.00 0.00 C ATOM 139 CG LYS A 13 4.870 -0.976 6.517 1.00 0.00 C ATOM 140 CD LYS A 13 4.808 -0.667 8.004 1.00 0.00 C ATOM 141 CE LYS A 13 4.450 0.790 8.255 1.00 0.00 C ATOM 142 NZ LYS A 13 4.850 1.232 9.619 1.00 0.00 N ATOM 0 H LYS A 13 4.657 -0.394 3.832 1.00 0.00 H new ATOM 0 HA LYS A 13 3.831 -2.863 4.831 1.00 0.00 H new ATOM 0 HB2 LYS A 13 3.157 -0.016 5.671 1.00 0.00 H new ATOM 0 HB3 LYS A 13 2.784 -1.430 6.635 1.00 0.00 H new ATOM 0 HG2 LYS A 13 5.375 -1.930 6.363 1.00 0.00 H new ATOM 0 HG3 LYS A 13 5.465 -0.216 6.011 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.069 -1.312 8.480 1.00 0.00 H new ATOM 0 HD3 LYS A 13 5.771 -0.891 8.464 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.941 1.418 7.511 1.00 0.00 H new ATOM 0 HE3 LYS A 13 3.376 0.927 8.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 4.374 2.128 9.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 4.575 0.508 10.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 5.880 1.369 9.651 1.00 0.00 H new ATOM 156 N ALA A 14 1.431 -1.062 3.487 1.00 0.00 N ATOM 157 CA ALA A 14 0.053 -1.107 3.016 1.00 0.00 C ATOM 158 C ALA A 14 -0.176 -2.304 2.101 1.00 0.00 C ATOM 159 O ALA A 14 -1.051 -3.134 2.353 1.00 0.00 O ATOM 160 CB ALA A 14 -0.302 0.186 2.296 1.00 0.00 C ATOM 0 H ALA A 14 1.941 -0.220 3.220 1.00 0.00 H new ATOM 0 HA ALA A 14 -0.597 -1.217 3.884 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -1.334 0.138 1.950 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -0.188 1.027 2.980 1.00 0.00 H new ATOM 0 HB3 ALA A 14 0.361 0.321 1.442 1.00 0.00 H new ATOM 166 N LEU A 15 0.615 -2.389 1.037 1.00 0.00 N ATOM 167 CA LEU A 15 0.498 -3.486 0.082 1.00 0.00 C ATOM 168 C LEU A 15 0.720 -4.830 0.768 1.00 0.00 C ATOM 169 O LEU A 15 -0.111 -5.733 0.670 1.00 0.00 O ATOM 170 CB LEU A 15 1.506 -3.308 -1.055 1.00 0.00 C ATOM 171 CG LEU A 15 1.053 -2.430 -2.222 1.00 0.00 C ATOM 172 CD1 LEU A 15 1.131 -0.958 -1.844 1.00 0.00 C ATOM 173 CD2 LEU A 15 1.895 -2.710 -3.458 1.00 0.00 C ATOM 0 H LEU A 15 1.344 -1.712 0.814 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.511 -3.471 -0.330 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.420 -2.883 -0.640 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.761 -4.293 -1.445 1.00 0.00 H new ATOM 0 HG LEU A 15 0.015 -2.671 -2.452 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.805 -0.348 -2.687 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.485 -0.768 -0.987 1.00 0.00 H new ATOM 0 HD13 LEU A 15 2.159 -0.702 -1.587 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.559 -2.076 -4.279 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.942 -2.497 -3.241 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.789 -3.757 -3.741 1.00 0.00 H new ATOM 185 N TYR A 16 1.845 -4.955 1.463 1.00 0.00 N ATOM 186 CA TYR A 16 2.177 -6.190 2.165 1.00 0.00 C ATOM 187 C TYR A 16 0.922 -6.851 2.726 1.00 0.00 C ATOM 188 O TYR A 16 0.705 -8.049 2.549 1.00 0.00 O ATOM 189 CB TYR A 16 3.167 -5.907 3.296 1.00 0.00 C ATOM 190 CG TYR A 16 3.975 -7.117 3.708 1.00 0.00 C ATOM 191 CD1 TYR A 16 4.614 -7.906 2.760 1.00 0.00 C ATOM 192 CD2 TYR A 16 4.100 -7.470 5.046 1.00 0.00 C ATOM 193 CE1 TYR A 16 5.353 -9.013 3.132 1.00 0.00 C ATOM 194 CE2 TYR A 16 4.838 -8.574 5.428 1.00 0.00 C ATOM 195 CZ TYR A 16 5.462 -9.342 4.467 1.00 0.00 C ATOM 196 OH TYR A 16 6.197 -10.443 4.843 1.00 0.00 O ATOM 0 H TYR A 16 2.543 -4.217 1.556 1.00 0.00 H new ATOM 0 HA TYR A 16 2.637 -6.873 1.451 1.00 0.00 H new ATOM 0 HB2 TYR A 16 3.847 -5.115 2.983 1.00 0.00 H new ATOM 0 HB3 TYR A 16 2.620 -5.533 4.162 1.00 0.00 H new ATOM 0 HD1 TYR A 16 4.532 -7.650 1.714 1.00 0.00 H new ATOM 0 HD2 TYR A 16 3.612 -6.871 5.801 1.00 0.00 H new ATOM 0 HE1 TYR A 16 5.842 -9.617 2.382 1.00 0.00 H new ATOM 0 HE2 TYR A 16 4.926 -8.834 6.473 1.00 0.00 H new ATOM 0 HH TYR A 16 6.845 -10.184 5.531 1.00 0.00 H new ATOM 206 N ASN A 17 0.097 -6.059 3.405 1.00 0.00 N ATOM 207 CA ASN A 17 -1.137 -6.566 3.993 1.00 0.00 C ATOM 208 C ASN A 17 -1.971 -7.308 2.953 1.00 0.00 C ATOM 209 O ASN A 17 -2.316 -8.476 3.136 1.00 0.00 O ATOM 210 CB ASN A 17 -1.952 -5.417 4.591 1.00 0.00 C ATOM 211 CG ASN A 17 -3.435 -5.728 4.647 1.00 0.00 C ATOM 212 OD1 ASN A 17 -3.899 -6.434 5.542 1.00 0.00 O ATOM 213 ND2 ASN A 17 -4.187 -5.200 3.688 1.00 0.00 N ATOM 0 H ASN A 17 0.261 -5.064 3.561 1.00 0.00 H new ATOM 0 HA ASN A 17 -0.871 -7.265 4.786 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -1.590 -5.204 5.597 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -1.795 -4.516 3.998 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -5.192 -5.374 3.674 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -3.760 -4.620 2.966 1.00 0.00 H new ATOM 220 N ARG A 18 -2.292 -6.622 1.861 1.00 0.00 N ATOM 221 CA ARG A 18 -3.086 -7.215 0.791 1.00 0.00 C ATOM 222 C ARG A 18 -2.449 -8.510 0.296 1.00 0.00 C ATOM 223 O ARG A 18 -3.116 -9.540 0.186 1.00 0.00 O ATOM 224 CB ARG A 18 -3.233 -6.230 -0.370 1.00 0.00 C ATOM 225 CG ARG A 18 -4.016 -6.788 -1.547 1.00 0.00 C ATOM 226 CD ARG A 18 -3.789 -5.967 -2.807 1.00 0.00 C ATOM 227 NE ARG A 18 -3.905 -6.778 -4.016 1.00 0.00 N ATOM 228 CZ ARG A 18 -2.919 -7.528 -4.495 1.00 0.00 C ATOM 229 NH1 ARG A 18 -1.751 -7.571 -3.870 1.00 0.00 N ATOM 230 NH2 ARG A 18 -3.101 -8.238 -5.601 1.00 0.00 N ATOM 0 H ARG A 18 -2.014 -5.655 1.694 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.074 -7.445 1.190 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -3.728 -5.328 -0.010 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -2.241 -5.934 -0.712 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.719 -7.821 -1.726 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -5.079 -6.800 -1.306 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -4.513 -5.153 -2.845 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -2.800 -5.511 -2.770 1.00 0.00 H new ATOM 0 HE ARG A 18 -4.792 -6.768 -4.520 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -1.608 -7.027 -3.019 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -0.996 -8.148 -4.240 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -3.999 -8.208 -6.084 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -2.343 -8.814 -5.968 1.00 0.00 H new ATOM 244 N LEU A 19 -1.156 -8.451 -0.002 1.00 0.00 N ATOM 245 CA LEU A 19 -0.429 -9.619 -0.486 1.00 0.00 C ATOM 246 C LEU A 19 -0.589 -10.796 0.471 1.00 0.00 C ATOM 247 O LEU A 19 -0.862 -11.920 0.049 1.00 0.00 O ATOM 248 CB LEU A 19 1.054 -9.286 -0.659 1.00 0.00 C ATOM 249 CG LEU A 19 1.440 -8.602 -1.971 1.00 0.00 C ATOM 250 CD1 LEU A 19 2.649 -7.702 -1.768 1.00 0.00 C ATOM 251 CD2 LEU A 19 1.719 -9.638 -3.050 1.00 0.00 C ATOM 0 H LEU A 19 -0.590 -7.607 0.083 1.00 0.00 H new ATOM 0 HA LEU A 19 -0.847 -9.901 -1.452 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.360 -8.643 0.166 1.00 0.00 H new ATOM 0 HB3 LEU A 19 1.626 -10.210 -0.572 1.00 0.00 H new ATOM 0 HG LEU A 19 0.603 -7.984 -2.296 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.909 -7.224 -2.712 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.414 -6.938 -1.027 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.492 -8.298 -1.419 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.992 -9.134 -3.977 1.00 0.00 H new ATOM 0 HD22 LEU A 19 2.539 -10.282 -2.732 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.826 -10.241 -3.215 1.00 0.00 H new ATOM 263 N VAL A 20 -0.420 -10.529 1.762 1.00 0.00 N ATOM 264 CA VAL A 20 -0.550 -11.565 2.780 1.00 0.00 C ATOM 265 C VAL A 20 -1.797 -11.349 3.629 1.00 0.00 C ATOM 266 O VAL A 20 -1.737 -10.835 4.745 1.00 0.00 O ATOM 267 CB VAL A 20 0.684 -11.604 3.701 1.00 0.00 C ATOM 268 CG1 VAL A 20 0.529 -12.688 4.757 1.00 0.00 C ATOM 269 CG2 VAL A 20 1.950 -11.820 2.886 1.00 0.00 C ATOM 0 H VAL A 20 -0.193 -9.604 2.128 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.633 -12.516 2.254 1.00 0.00 H new ATOM 0 HB VAL A 20 0.766 -10.644 4.210 1.00 0.00 H new ATOM 0 HG11 VAL A 20 1.411 -12.700 5.398 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -0.356 -12.484 5.360 1.00 0.00 H new ATOM 0 HG13 VAL A 20 0.421 -13.657 4.270 1.00 0.00 H new ATOM 0 HG21 VAL A 20 2.812 -11.845 3.553 1.00 0.00 H new ATOM 0 HG22 VAL A 20 1.880 -12.766 2.348 1.00 0.00 H new ATOM 0 HG23 VAL A 20 2.067 -11.005 2.172 1.00 0.00 H new ATOM 279 N PRO A 21 -2.957 -11.751 3.088 1.00 0.00 N ATOM 280 CA PRO A 21 -4.243 -11.612 3.779 1.00 0.00 C ATOM 281 C PRO A 21 -4.362 -12.551 4.975 1.00 0.00 C ATOM 282 O PRO A 21 -3.661 -13.561 5.057 1.00 0.00 O ATOM 283 CB PRO A 21 -5.266 -11.985 2.703 1.00 0.00 C ATOM 284 CG PRO A 21 -4.522 -12.870 1.764 1.00 0.00 C ATOM 285 CD PRO A 21 -3.103 -12.372 1.761 1.00 0.00 C ATOM 0 HA PRO A 21 -4.380 -10.611 4.188 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -6.125 -12.499 3.135 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -5.647 -11.099 2.195 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -4.570 -13.910 2.087 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -4.953 -12.827 0.764 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -2.392 -13.186 1.618 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -2.931 -11.653 0.960 1.00 0.00 H new ATOM 293 N LEU A 22 -5.253 -12.212 5.901 1.00 0.00 N ATOM 294 CA LEU A 22 -5.464 -13.026 7.093 1.00 0.00 C ATOM 295 C LEU A 22 -6.896 -13.549 7.149 1.00 0.00 C ATOM 296 O LEU A 22 -7.833 -12.797 7.420 1.00 0.00 O ATOM 297 CB LEU A 22 -5.158 -12.211 8.351 1.00 0.00 C ATOM 298 CG LEU A 22 -4.635 -13.001 9.551 1.00 0.00 C ATOM 299 CD1 LEU A 22 -4.557 -12.111 10.782 1.00 0.00 C ATOM 300 CD2 LEU A 22 -5.519 -14.210 9.820 1.00 0.00 C ATOM 0 H LEU A 22 -5.840 -11.380 5.849 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.787 -13.879 7.045 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.423 -11.448 8.095 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -6.067 -11.690 8.652 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.631 -13.355 9.319 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -4.183 -12.690 11.626 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.883 -11.277 10.586 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -5.550 -11.727 11.017 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -5.132 -14.760 10.677 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -6.535 -13.878 10.031 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -5.524 -14.859 8.944 1.00 0.00 H new ATOM 312 N VAL A 23 -7.058 -14.843 6.891 1.00 0.00 N ATOM 313 CA VAL A 23 -8.375 -15.468 6.915 1.00 0.00 C ATOM 314 C VAL A 23 -8.369 -16.731 7.768 1.00 0.00 C ATOM 315 O VAL A 23 -9.316 -16.998 8.506 1.00 0.00 O ATOM 316 CB VAL A 23 -8.854 -15.823 5.494 1.00 0.00 C ATOM 317 CG1 VAL A 23 -9.182 -14.562 4.710 1.00 0.00 C ATOM 318 CG2 VAL A 23 -7.803 -16.652 4.771 1.00 0.00 C ATOM 0 H VAL A 23 -6.294 -15.479 6.663 1.00 0.00 H new ATOM 0 HA VAL A 23 -9.062 -14.742 7.351 1.00 0.00 H new ATOM 0 HB VAL A 23 -9.763 -16.419 5.573 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -9.518 -14.833 3.709 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -9.971 -14.011 5.221 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -8.292 -13.937 4.637 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -8.157 -16.894 3.769 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -6.876 -16.083 4.701 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -7.622 -17.573 5.325 1.00 0.00 H new ATOM 328 N ASN A 24 -7.294 -17.505 7.661 1.00 0.00 N ATOM 329 CA ASN A 24 -7.163 -18.741 8.423 1.00 0.00 C ATOM 330 C ASN A 24 -6.587 -18.468 9.809 1.00 0.00 C ATOM 331 O ASN A 24 -5.998 -19.349 10.433 1.00 0.00 O ATOM 332 CB ASN A 24 -6.272 -19.735 7.675 1.00 0.00 C ATOM 333 CG ASN A 24 -6.957 -20.324 6.458 1.00 0.00 C ATOM 334 OD1 ASN A 24 -7.895 -21.112 6.580 1.00 0.00 O ATOM 335 ND2 ASN A 24 -6.491 -19.943 5.274 1.00 0.00 N ATOM 0 H ASN A 24 -6.501 -17.298 7.054 1.00 0.00 H new ATOM 0 HA ASN A 24 -8.157 -19.172 8.541 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -5.355 -19.234 7.365 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -5.983 -20.540 8.351 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -6.913 -20.306 4.419 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -5.711 -19.288 5.220 1.00 0.00 H new ATOM 342 N GLY A 25 -6.763 -17.239 10.286 1.00 0.00 N ATOM 343 CA GLY A 25 -6.256 -16.871 11.595 1.00 0.00 C ATOM 344 C GLY A 25 -4.745 -16.964 11.678 1.00 0.00 C ATOM 345 O GLY A 25 -4.173 -16.932 12.768 1.00 0.00 O ATOM 0 H GLY A 25 -7.248 -16.492 9.789 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -6.568 -15.853 11.829 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -6.699 -17.522 12.349 1.00 0.00 H new ATOM 349 N VAL A 26 -4.096 -17.080 10.524 1.00 0.00 N ATOM 350 CA VAL A 26 -2.643 -17.178 10.470 1.00 0.00 C ATOM 351 C VAL A 26 -2.104 -16.645 9.148 1.00 0.00 C ATOM 352 O VAL A 26 -2.561 -17.040 8.075 1.00 0.00 O ATOM 353 CB VAL A 26 -2.171 -18.632 10.655 1.00 0.00 C ATOM 354 CG1 VAL A 26 -2.778 -19.530 9.588 1.00 0.00 C ATOM 355 CG2 VAL A 26 -0.652 -18.707 10.626 1.00 0.00 C ATOM 0 H VAL A 26 -4.554 -17.108 9.613 1.00 0.00 H new ATOM 0 HA VAL A 26 -2.255 -16.571 11.288 1.00 0.00 H new ATOM 0 HB VAL A 26 -2.510 -18.985 11.629 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.433 -20.554 9.735 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -3.865 -19.499 9.662 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -2.471 -19.182 8.602 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -0.336 -19.742 10.758 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.288 -18.336 9.668 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -0.242 -18.097 11.431 1.00 0.00 H new ATOM 365 N ARG A 27 -1.129 -15.745 9.231 1.00 0.00 N ATOM 366 CA ARG A 27 -0.528 -15.157 8.040 1.00 0.00 C ATOM 367 C ARG A 27 0.695 -15.955 7.598 1.00 0.00 C ATOM 368 O ARG A 27 1.782 -15.800 8.153 1.00 0.00 O ATOM 369 CB ARG A 27 -0.133 -13.703 8.308 1.00 0.00 C ATOM 370 CG ARG A 27 -1.280 -12.843 8.812 1.00 0.00 C ATOM 371 CD ARG A 27 -0.869 -11.384 8.935 1.00 0.00 C ATOM 372 NE ARG A 27 -2.000 -10.524 9.277 1.00 0.00 N ATOM 373 CZ ARG A 27 -1.873 -9.350 9.884 1.00 0.00 C ATOM 374 NH1 ARG A 27 -0.671 -8.898 10.215 1.00 0.00 N ATOM 375 NH2 ARG A 27 -2.949 -8.625 10.162 1.00 0.00 N ATOM 0 H ARG A 27 -0.739 -15.407 10.111 1.00 0.00 H new ATOM 0 HA ARG A 27 -1.267 -15.184 7.239 1.00 0.00 H new ATOM 0 HB2 ARG A 27 0.674 -13.684 9.041 1.00 0.00 H new ATOM 0 HB3 ARG A 27 0.260 -13.267 7.390 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -2.127 -12.928 8.131 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -1.614 -13.211 9.782 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -0.097 -11.288 9.698 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -0.431 -11.050 7.994 1.00 0.00 H new ATOM 0 HE ARG A 27 -2.938 -10.843 9.036 1.00 0.00 H new ATOM 0 HH11 ARG A 27 0.158 -9.453 10.003 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -0.576 -7.996 10.681 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -3.875 -8.969 9.909 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -2.850 -7.723 10.628 1.00 0.00 H new ATOM 389 N GLU A 28 0.507 -16.809 6.597 1.00 0.00 N ATOM 390 CA GLU A 28 1.595 -17.632 6.081 1.00 0.00 C ATOM 391 C GLU A 28 1.632 -17.593 4.557 1.00 0.00 C ATOM 392 O GLU A 28 0.602 -17.725 3.896 1.00 0.00 O ATOM 393 CB GLU A 28 1.443 -19.076 6.562 1.00 0.00 C ATOM 394 CG GLU A 28 0.196 -19.765 6.034 1.00 0.00 C ATOM 395 CD GLU A 28 0.084 -21.205 6.499 1.00 0.00 C ATOM 396 OE1 GLU A 28 1.060 -21.963 6.320 1.00 0.00 O ATOM 397 OE2 GLU A 28 -0.979 -21.573 7.040 1.00 0.00 O ATOM 0 H GLU A 28 -0.388 -16.949 6.127 1.00 0.00 H new ATOM 0 HA GLU A 28 2.534 -17.227 6.460 1.00 0.00 H new ATOM 0 HB2 GLU A 28 2.320 -19.646 6.256 1.00 0.00 H new ATOM 0 HB3 GLU A 28 1.420 -19.087 7.652 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -0.685 -19.212 6.359 1.00 0.00 H new ATOM 0 HG3 GLU A 28 0.204 -19.739 4.944 1.00 0.00 H new ATOM 404 N PHE A 29 2.827 -17.409 4.004 1.00 0.00 N ATOM 405 CA PHE A 29 2.999 -17.351 2.557 1.00 0.00 C ATOM 406 C PHE A 29 2.367 -18.566 1.885 1.00 0.00 C ATOM 407 O PHE A 29 1.797 -19.431 2.550 1.00 0.00 O ATOM 408 CB PHE A 29 4.485 -17.272 2.202 1.00 0.00 C ATOM 409 CG PHE A 29 5.118 -15.958 2.559 1.00 0.00 C ATOM 410 CD1 PHE A 29 4.634 -14.773 2.028 1.00 0.00 C ATOM 411 CD2 PHE A 29 6.198 -15.907 3.426 1.00 0.00 C ATOM 412 CE1 PHE A 29 5.214 -13.562 2.355 1.00 0.00 C ATOM 413 CE2 PHE A 29 6.782 -14.699 3.757 1.00 0.00 C ATOM 414 CZ PHE A 29 6.290 -13.525 3.220 1.00 0.00 C ATOM 0 H PHE A 29 3.690 -17.298 4.536 1.00 0.00 H new ATOM 0 HA PHE A 29 2.497 -16.455 2.192 1.00 0.00 H new ATOM 0 HB2 PHE A 29 5.016 -18.073 2.716 1.00 0.00 H new ATOM 0 HB3 PHE A 29 4.604 -17.445 1.132 1.00 0.00 H new ATOM 0 HD1 PHE A 29 3.793 -14.796 1.350 1.00 0.00 H new ATOM 0 HD2 PHE A 29 6.588 -16.822 3.848 1.00 0.00 H new ATOM 0 HE1 PHE A 29 4.826 -12.646 1.935 1.00 0.00 H new ATOM 0 HE2 PHE A 29 7.622 -14.673 4.435 1.00 0.00 H new ATOM 0 HZ PHE A 29 6.746 -12.580 3.476 1.00 0.00 H new ATOM 424 N SER A 30 2.473 -18.624 0.561 1.00 0.00 N ATOM 425 CA SER A 30 1.909 -19.731 -0.203 1.00 0.00 C ATOM 426 C SER A 30 2.924 -20.272 -1.205 1.00 0.00 C ATOM 427 O SER A 30 3.870 -19.581 -1.580 1.00 0.00 O ATOM 428 CB SER A 30 0.643 -19.280 -0.935 1.00 0.00 C ATOM 429 OG SER A 30 0.115 -20.326 -1.731 1.00 0.00 O ATOM 0 H SER A 30 2.944 -17.918 -0.005 1.00 0.00 H new ATOM 0 HA SER A 30 1.653 -20.528 0.494 1.00 0.00 H new ATOM 0 HB2 SER A 30 -0.105 -18.957 -0.210 1.00 0.00 H new ATOM 0 HB3 SER A 30 0.870 -18.419 -1.564 1.00 0.00 H new ATOM 0 HG SER A 30 -0.694 -20.014 -2.187 1.00 0.00 H new ATOM 435 N GLU A 31 2.718 -21.514 -1.635 1.00 0.00 N ATOM 436 CA GLU A 31 3.616 -22.148 -2.593 1.00 0.00 C ATOM 437 C GLU A 31 3.947 -21.198 -3.740 1.00 0.00 C ATOM 438 O GLU A 31 5.060 -21.210 -4.268 1.00 0.00 O ATOM 439 CB GLU A 31 2.987 -23.430 -3.143 1.00 0.00 C ATOM 440 CG GLU A 31 1.679 -23.198 -3.881 1.00 0.00 C ATOM 441 CD GLU A 31 1.285 -24.373 -4.754 1.00 0.00 C ATOM 442 OE1 GLU A 31 2.173 -24.933 -5.431 1.00 0.00 O ATOM 443 OE2 GLU A 31 0.090 -24.734 -4.760 1.00 0.00 O ATOM 0 H GLU A 31 1.938 -22.100 -1.335 1.00 0.00 H new ATOM 0 HA GLU A 31 4.541 -22.399 -2.074 1.00 0.00 H new ATOM 0 HB2 GLU A 31 3.695 -23.911 -3.818 1.00 0.00 H new ATOM 0 HB3 GLU A 31 2.812 -24.121 -2.319 1.00 0.00 H new ATOM 0 HG2 GLU A 31 0.887 -23.006 -3.157 1.00 0.00 H new ATOM 0 HG3 GLU A 31 1.769 -22.305 -4.499 1.00 0.00 H new ATOM 450 N ILE A 32 2.974 -20.377 -4.120 1.00 0.00 N ATOM 451 CA ILE A 32 3.162 -19.421 -5.204 1.00 0.00 C ATOM 452 C ILE A 32 4.110 -18.300 -4.790 1.00 0.00 C ATOM 453 O ILE A 32 5.154 -18.097 -5.409 1.00 0.00 O ATOM 454 CB ILE A 32 1.822 -18.806 -5.651 1.00 0.00 C ATOM 455 CG1 ILE A 32 0.858 -19.904 -6.104 1.00 0.00 C ATOM 456 CG2 ILE A 32 2.049 -17.799 -6.768 1.00 0.00 C ATOM 457 CD1 ILE A 32 1.347 -20.679 -7.308 1.00 0.00 C ATOM 0 H ILE A 32 2.048 -20.355 -3.693 1.00 0.00 H new ATOM 0 HA ILE A 32 3.596 -19.971 -6.039 1.00 0.00 H new ATOM 0 HB ILE A 32 1.377 -18.285 -4.803 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.695 -20.596 -5.278 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -0.107 -19.455 -6.339 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.093 -17.373 -7.073 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.704 -17.003 -6.413 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.512 -18.298 -7.619 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.613 -21.440 -7.573 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.483 -19.998 -8.148 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.297 -21.157 -7.071 1.00 0.00 H new ATOM 469 N GLN A 33 3.739 -17.578 -3.738 1.00 0.00 N ATOM 470 CA GLN A 33 4.557 -16.478 -3.240 1.00 0.00 C ATOM 471 C GLN A 33 6.004 -16.921 -3.046 1.00 0.00 C ATOM 472 O GLN A 33 6.921 -16.365 -3.652 1.00 0.00 O ATOM 473 CB GLN A 33 3.992 -15.950 -1.921 1.00 0.00 C ATOM 474 CG GLN A 33 2.558 -15.457 -2.027 1.00 0.00 C ATOM 475 CD GLN A 33 2.070 -14.798 -0.752 1.00 0.00 C ATOM 476 OE1 GLN A 33 1.952 -15.446 0.289 1.00 0.00 O ATOM 477 NE2 GLN A 33 1.785 -13.503 -0.825 1.00 0.00 N ATOM 0 H GLN A 33 2.878 -17.735 -3.214 1.00 0.00 H new ATOM 0 HA GLN A 33 4.536 -15.679 -3.981 1.00 0.00 H new ATOM 0 HB2 GLN A 33 4.041 -16.740 -1.172 1.00 0.00 H new ATOM 0 HB3 GLN A 33 4.622 -15.135 -1.566 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.482 -14.747 -2.850 1.00 0.00 H new ATOM 0 HG3 GLN A 33 1.907 -16.297 -2.270 1.00 0.00 H new ATOM 0 HE21 GLN A 33 1.897 -13.005 -1.708 1.00 0.00 H new ATOM 0 HE22 GLN A 33 1.454 -13.006 0.002 1.00 0.00 H new ATOM 486 N LEU A 34 6.202 -17.923 -2.197 1.00 0.00 N ATOM 487 CA LEU A 34 7.538 -18.441 -1.923 1.00 0.00 C ATOM 488 C LEU A 34 8.362 -18.525 -3.203 1.00 0.00 C ATOM 489 O LEU A 34 9.343 -17.800 -3.371 1.00 0.00 O ATOM 490 CB LEU A 34 7.447 -19.820 -1.268 1.00 0.00 C ATOM 491 CG LEU A 34 6.567 -19.915 -0.021 1.00 0.00 C ATOM 492 CD1 LEU A 34 5.946 -21.299 0.090 1.00 0.00 C ATOM 493 CD2 LEU A 34 7.374 -19.589 1.227 1.00 0.00 C ATOM 0 H LEU A 34 5.455 -18.393 -1.686 1.00 0.00 H new ATOM 0 HA LEU A 34 8.035 -17.753 -1.238 1.00 0.00 H new ATOM 0 HB2 LEU A 34 7.072 -20.527 -2.008 1.00 0.00 H new ATOM 0 HB3 LEU A 34 8.454 -20.141 -1.003 1.00 0.00 H new ATOM 0 HG LEU A 34 5.763 -19.185 -0.111 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.323 -21.348 0.983 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.334 -21.495 -0.790 1.00 0.00 H new ATOM 0 HD13 LEU A 34 6.735 -22.048 0.157 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.732 -19.662 2.105 1.00 0.00 H new ATOM 0 HD22 LEU A 34 8.199 -20.295 1.322 1.00 0.00 H new ATOM 0 HD23 LEU A 34 7.770 -18.576 1.150 1.00 0.00 H new ATOM 505 N SER A 35 7.957 -19.415 -4.104 1.00 0.00 N ATOM 506 CA SER A 35 8.660 -19.596 -5.369 1.00 0.00 C ATOM 507 C SER A 35 9.132 -18.256 -5.924 1.00 0.00 C ATOM 508 O SER A 35 10.197 -18.166 -6.537 1.00 0.00 O ATOM 509 CB SER A 35 7.752 -20.291 -6.386 1.00 0.00 C ATOM 510 OG SER A 35 8.514 -20.973 -7.367 1.00 0.00 O ATOM 0 H SER A 35 7.146 -20.022 -3.981 1.00 0.00 H new ATOM 0 HA SER A 35 9.534 -20.222 -5.185 1.00 0.00 H new ATOM 0 HB2 SER A 35 7.099 -20.997 -5.873 1.00 0.00 H new ATOM 0 HB3 SER A 35 7.109 -19.554 -6.868 1.00 0.00 H new ATOM 0 HG SER A 35 7.911 -21.410 -8.004 1.00 0.00 H new ATOM 516 N ARG A 36 8.333 -17.217 -5.706 1.00 0.00 N ATOM 517 CA ARG A 36 8.667 -15.881 -6.185 1.00 0.00 C ATOM 518 C ARG A 36 9.686 -15.213 -5.266 1.00 0.00 C ATOM 519 O ARG A 36 10.617 -14.552 -5.729 1.00 0.00 O ATOM 520 CB ARG A 36 7.407 -15.019 -6.279 1.00 0.00 C ATOM 521 CG ARG A 36 6.331 -15.610 -7.175 1.00 0.00 C ATOM 522 CD ARG A 36 5.238 -14.596 -7.476 1.00 0.00 C ATOM 523 NE ARG A 36 4.603 -14.098 -6.259 1.00 0.00 N ATOM 524 CZ ARG A 36 3.672 -13.151 -6.250 1.00 0.00 C ATOM 525 NH1 ARG A 36 3.269 -12.602 -7.388 1.00 0.00 N ATOM 526 NH2 ARG A 36 3.141 -12.751 -5.102 1.00 0.00 N ATOM 0 H ARG A 36 7.449 -17.275 -5.200 1.00 0.00 H new ATOM 0 HA ARG A 36 9.107 -15.978 -7.178 1.00 0.00 H new ATOM 0 HB2 ARG A 36 6.998 -14.878 -5.279 1.00 0.00 H new ATOM 0 HB3 ARG A 36 7.679 -14.032 -6.654 1.00 0.00 H new ATOM 0 HG2 ARG A 36 6.780 -15.951 -8.108 1.00 0.00 H new ATOM 0 HG3 ARG A 36 5.895 -16.485 -6.693 1.00 0.00 H new ATOM 0 HD2 ARG A 36 5.662 -13.760 -8.032 1.00 0.00 H new ATOM 0 HD3 ARG A 36 4.485 -15.055 -8.116 1.00 0.00 H new ATOM 0 HE ARG A 36 4.890 -14.500 -5.367 1.00 0.00 H new ATOM 0 HH11 ARG A 36 3.674 -12.907 -8.273 1.00 0.00 H new ATOM 0 HH12 ARG A 36 2.554 -11.875 -7.378 1.00 0.00 H new ATOM 0 HH21 ARG A 36 3.448 -13.171 -4.224 1.00 0.00 H new ATOM 0 HH22 ARG A 36 2.426 -12.024 -5.097 1.00 0.00 H new ATOM 540 N LEU A 37 9.503 -15.389 -3.962 1.00 0.00 N ATOM 541 CA LEU A 37 10.406 -14.803 -2.977 1.00 0.00 C ATOM 542 C LEU A 37 11.840 -15.269 -3.208 1.00 0.00 C ATOM 543 O LEU A 37 12.773 -14.465 -3.208 1.00 0.00 O ATOM 544 CB LEU A 37 9.959 -15.174 -1.562 1.00 0.00 C ATOM 545 CG LEU A 37 8.703 -14.468 -1.048 1.00 0.00 C ATOM 546 CD1 LEU A 37 8.053 -15.278 0.062 1.00 0.00 C ATOM 547 CD2 LEU A 37 9.041 -13.067 -0.561 1.00 0.00 C ATOM 0 H LEU A 37 8.738 -15.932 -3.562 1.00 0.00 H new ATOM 0 HA LEU A 37 10.373 -13.719 -3.089 1.00 0.00 H new ATOM 0 HB2 LEU A 37 9.787 -16.250 -1.527 1.00 0.00 H new ATOM 0 HB3 LEU A 37 10.778 -14.960 -0.876 1.00 0.00 H new ATOM 0 HG LEU A 37 7.994 -14.383 -1.871 1.00 0.00 H new ATOM 0 HD11 LEU A 37 7.161 -14.761 0.416 1.00 0.00 H new ATOM 0 HD12 LEU A 37 7.775 -16.261 -0.319 1.00 0.00 H new ATOM 0 HD13 LEU A 37 8.756 -15.394 0.887 1.00 0.00 H new ATOM 0 HD21 LEU A 37 8.136 -12.579 -0.199 1.00 0.00 H new ATOM 0 HD22 LEU A 37 9.768 -13.129 0.248 1.00 0.00 H new ATOM 0 HD23 LEU A 37 9.461 -12.488 -1.383 1.00 0.00 H new ATOM 559 N LYS A 38 12.009 -16.571 -3.407 1.00 0.00 N ATOM 560 CA LYS A 38 13.328 -17.145 -3.643 1.00 0.00 C ATOM 561 C LYS A 38 14.096 -16.335 -4.683 1.00 0.00 C ATOM 562 O LYS A 38 15.213 -15.882 -4.432 1.00 0.00 O ATOM 563 CB LYS A 38 13.200 -18.598 -4.106 1.00 0.00 C ATOM 564 CG LYS A 38 12.811 -19.558 -2.995 1.00 0.00 C ATOM 565 CD LYS A 38 11.309 -19.569 -2.768 1.00 0.00 C ATOM 566 CE LYS A 38 10.879 -20.770 -1.940 1.00 0.00 C ATOM 567 NZ LYS A 38 11.022 -20.516 -0.480 1.00 0.00 N ATOM 0 H LYS A 38 11.248 -17.250 -3.410 1.00 0.00 H new ATOM 0 HA LYS A 38 13.882 -17.117 -2.704 1.00 0.00 H new ATOM 0 HB2 LYS A 38 12.455 -18.653 -4.900 1.00 0.00 H new ATOM 0 HB3 LYS A 38 14.149 -18.918 -4.536 1.00 0.00 H new ATOM 0 HG2 LYS A 38 13.149 -20.563 -3.247 1.00 0.00 H new ATOM 0 HG3 LYS A 38 13.317 -19.273 -2.073 1.00 0.00 H new ATOM 0 HD2 LYS A 38 11.010 -18.651 -2.262 1.00 0.00 H new ATOM 0 HD3 LYS A 38 10.795 -19.585 -3.729 1.00 0.00 H new ATOM 0 HE2 LYS A 38 9.841 -21.014 -2.166 1.00 0.00 H new ATOM 0 HE3 LYS A 38 11.479 -21.637 -2.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 10.719 -21.358 0.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 12.017 -20.308 -0.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 10.430 -19.705 -0.209 1.00 0.00 H new ATOM 581 N LYS A 39 13.489 -16.155 -5.852 1.00 0.00 N ATOM 582 CA LYS A 39 14.113 -15.397 -6.930 1.00 0.00 C ATOM 583 C LYS A 39 14.758 -14.122 -6.396 1.00 0.00 C ATOM 584 O LYS A 39 15.921 -13.835 -6.682 1.00 0.00 O ATOM 585 CB LYS A 39 13.078 -15.048 -8.001 1.00 0.00 C ATOM 586 CG LYS A 39 12.890 -16.138 -9.042 1.00 0.00 C ATOM 587 CD LYS A 39 11.821 -17.133 -8.621 1.00 0.00 C ATOM 588 CE LYS A 39 11.842 -18.377 -9.496 1.00 0.00 C ATOM 589 NZ LYS A 39 12.943 -19.305 -9.115 1.00 0.00 N ATOM 0 H LYS A 39 12.565 -16.524 -6.077 1.00 0.00 H new ATOM 0 HA LYS A 39 14.891 -16.018 -7.374 1.00 0.00 H new ATOM 0 HB2 LYS A 39 12.121 -14.849 -7.519 1.00 0.00 H new ATOM 0 HB3 LYS A 39 13.381 -14.128 -8.501 1.00 0.00 H new ATOM 0 HG2 LYS A 39 12.614 -15.688 -9.996 1.00 0.00 H new ATOM 0 HG3 LYS A 39 13.834 -16.661 -9.197 1.00 0.00 H new ATOM 0 HD2 LYS A 39 11.976 -17.416 -7.580 1.00 0.00 H new ATOM 0 HD3 LYS A 39 10.840 -16.662 -8.680 1.00 0.00 H new ATOM 0 HE2 LYS A 39 10.886 -18.895 -9.414 1.00 0.00 H new ATOM 0 HE3 LYS A 39 11.958 -18.085 -10.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 12.902 -20.155 -9.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 13.859 -18.831 -9.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 12.838 -19.578 -8.117 1.00 0.00 H new ATOM 603 N LEU A 40 13.996 -13.360 -5.618 1.00 0.00 N ATOM 604 CA LEU A 40 14.493 -12.116 -5.043 1.00 0.00 C ATOM 605 C LEU A 40 15.735 -12.366 -4.193 1.00 0.00 C ATOM 606 O LEU A 40 16.614 -11.512 -4.093 1.00 0.00 O ATOM 607 CB LEU A 40 13.406 -11.453 -4.194 1.00 0.00 C ATOM 608 CG LEU A 40 12.135 -11.039 -4.936 1.00 0.00 C ATOM 609 CD1 LEU A 40 11.006 -10.774 -3.953 1.00 0.00 C ATOM 610 CD2 LEU A 40 12.396 -9.810 -5.795 1.00 0.00 C ATOM 0 H LEU A 40 13.032 -13.583 -5.371 1.00 0.00 H new ATOM 0 HA LEU A 40 14.764 -11.449 -5.862 1.00 0.00 H new ATOM 0 HB2 LEU A 40 13.129 -12.139 -3.394 1.00 0.00 H new ATOM 0 HB3 LEU A 40 13.832 -10.568 -3.721 1.00 0.00 H new ATOM 0 HG LEU A 40 11.835 -11.858 -5.590 1.00 0.00 H new ATOM 0 HD11 LEU A 40 10.109 -10.481 -4.499 1.00 0.00 H new ATOM 0 HD12 LEU A 40 10.802 -11.679 -3.380 1.00 0.00 H new ATOM 0 HD13 LEU A 40 11.296 -9.972 -3.274 1.00 0.00 H new ATOM 0 HD21 LEU A 40 11.481 -9.529 -6.316 1.00 0.00 H new ATOM 0 HD22 LEU A 40 12.720 -8.985 -5.161 1.00 0.00 H new ATOM 0 HD23 LEU A 40 13.174 -10.034 -6.524 1.00 0.00 H new ATOM 622 N GLY A 41 15.801 -13.547 -3.584 1.00 0.00 N ATOM 623 CA GLY A 41 16.940 -13.890 -2.753 1.00 0.00 C ATOM 624 C GLY A 41 16.665 -13.681 -1.277 1.00 0.00 C ATOM 625 O GLY A 41 17.591 -13.498 -0.487 1.00 0.00 O ATOM 0 H GLY A 41 15.086 -14.271 -3.652 1.00 0.00 H new ATOM 0 HA2 GLY A 41 17.211 -14.932 -2.925 1.00 0.00 H new ATOM 0 HA3 GLY A 41 17.797 -13.285 -3.049 1.00 0.00 H new ATOM 629 N ILE A 42 15.390 -13.708 -0.906 1.00 0.00 N ATOM 630 CA ILE A 42 14.996 -13.520 0.485 1.00 0.00 C ATOM 631 C ILE A 42 15.241 -14.785 1.302 1.00 0.00 C ATOM 632 O ILE A 42 15.907 -14.749 2.337 1.00 0.00 O ATOM 633 CB ILE A 42 13.512 -13.126 0.602 1.00 0.00 C ATOM 634 CG1 ILE A 42 13.251 -11.811 -0.135 1.00 0.00 C ATOM 635 CG2 ILE A 42 13.108 -13.010 2.064 1.00 0.00 C ATOM 636 CD1 ILE A 42 11.834 -11.304 0.017 1.00 0.00 C ATOM 0 H ILE A 42 14.612 -13.858 -1.549 1.00 0.00 H new ATOM 0 HA ILE A 42 15.610 -12.711 0.880 1.00 0.00 H new ATOM 0 HB ILE A 42 12.907 -13.906 0.139 1.00 0.00 H new ATOM 0 HG12 ILE A 42 13.941 -11.053 0.236 1.00 0.00 H new ATOM 0 HG13 ILE A 42 13.467 -11.948 -1.194 1.00 0.00 H new ATOM 0 HG21 ILE A 42 12.056 -12.731 2.130 1.00 0.00 H new ATOM 0 HG22 ILE A 42 13.261 -13.968 2.561 1.00 0.00 H new ATOM 0 HG23 ILE A 42 13.717 -12.248 2.550 1.00 0.00 H new ATOM 0 HD11 ILE A 42 11.721 -10.369 -0.531 1.00 0.00 H new ATOM 0 HD12 ILE A 42 11.138 -12.043 -0.380 1.00 0.00 H new ATOM 0 HD13 ILE A 42 11.620 -11.134 1.072 1.00 0.00 H new ATOM 648 N HIS A 43 14.698 -15.902 0.828 1.00 0.00 N ATOM 649 CA HIS A 43 14.859 -17.180 1.513 1.00 0.00 C ATOM 650 C HIS A 43 14.231 -17.135 2.903 1.00 0.00 C ATOM 651 O HIS A 43 14.811 -17.620 3.874 1.00 0.00 O ATOM 652 CB HIS A 43 16.341 -17.541 1.622 1.00 0.00 C ATOM 653 CG HIS A 43 16.911 -18.119 0.364 1.00 0.00 C ATOM 654 ND1 HIS A 43 16.287 -19.115 -0.357 1.00 0.00 N ATOM 655 CD2 HIS A 43 18.054 -17.834 -0.303 1.00 0.00 C ATOM 656 CE1 HIS A 43 17.023 -19.419 -1.411 1.00 0.00 C ATOM 657 NE2 HIS A 43 18.100 -18.655 -1.402 1.00 0.00 N ATOM 0 H HIS A 43 14.143 -15.948 -0.027 1.00 0.00 H new ATOM 0 HA HIS A 43 14.348 -17.945 0.928 1.00 0.00 H new ATOM 0 HB2 HIS A 43 16.905 -16.648 1.890 1.00 0.00 H new ATOM 0 HB3 HIS A 43 16.473 -18.257 2.433 1.00 0.00 H new ATOM 0 HD2 HIS A 43 18.792 -17.098 -0.023 1.00 0.00 H new ATOM 0 HE1 HIS A 43 16.784 -20.166 -2.154 1.00 0.00 H new ATOM 0 HE2 HIS A 43 18.845 -18.672 -2.099 1.00 0.00 H new ATOM 666 N LYS A 44 13.042 -16.547 2.990 1.00 0.00 N ATOM 667 CA LYS A 44 12.334 -16.439 4.260 1.00 0.00 C ATOM 668 C LYS A 44 10.861 -16.798 4.094 1.00 0.00 C ATOM 669 O LYS A 44 10.192 -16.314 3.179 1.00 0.00 O ATOM 670 CB LYS A 44 12.464 -15.020 4.820 1.00 0.00 C ATOM 671 CG LYS A 44 13.695 -14.819 5.686 1.00 0.00 C ATOM 672 CD LYS A 44 13.765 -13.404 6.236 1.00 0.00 C ATOM 673 CE LYS A 44 14.525 -12.479 5.299 1.00 0.00 C ATOM 674 NZ LYS A 44 14.677 -11.113 5.871 1.00 0.00 N ATOM 0 H LYS A 44 12.549 -16.138 2.196 1.00 0.00 H new ATOM 0 HA LYS A 44 12.785 -17.143 4.960 1.00 0.00 H new ATOM 0 HB2 LYS A 44 12.494 -14.313 3.991 1.00 0.00 H new ATOM 0 HB3 LYS A 44 11.575 -14.787 5.407 1.00 0.00 H new ATOM 0 HG2 LYS A 44 13.680 -15.531 6.511 1.00 0.00 H new ATOM 0 HG3 LYS A 44 14.591 -15.028 5.101 1.00 0.00 H new ATOM 0 HD2 LYS A 44 12.756 -13.021 6.387 1.00 0.00 H new ATOM 0 HD3 LYS A 44 14.251 -13.415 7.211 1.00 0.00 H new ATOM 0 HE2 LYS A 44 15.510 -12.899 5.094 1.00 0.00 H new ATOM 0 HE3 LYS A 44 14.001 -12.417 4.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 15.078 -10.478 5.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 13.747 -10.756 6.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 15.313 -11.150 6.693 1.00 0.00 H new ATOM 688 N THR A 45 10.359 -17.648 4.984 1.00 0.00 N ATOM 689 CA THR A 45 8.965 -18.071 4.936 1.00 0.00 C ATOM 690 C THR A 45 8.202 -17.591 6.165 1.00 0.00 C ATOM 691 O THR A 45 7.512 -18.370 6.823 1.00 0.00 O ATOM 692 CB THR A 45 8.847 -19.604 4.838 1.00 0.00 C ATOM 693 OG1 THR A 45 9.493 -20.218 5.958 1.00 0.00 O ATOM 694 CG2 THR A 45 9.467 -20.113 3.546 1.00 0.00 C ATOM 0 H THR A 45 10.898 -18.057 5.747 1.00 0.00 H new ATOM 0 HA THR A 45 8.529 -17.622 4.044 1.00 0.00 H new ATOM 0 HB THR A 45 7.789 -19.866 4.842 1.00 0.00 H new ATOM 0 HG1 THR A 45 9.412 -21.192 5.889 1.00 0.00 H new ATOM 0 HG21 THR A 45 9.372 -21.198 3.499 1.00 0.00 H new ATOM 0 HG22 THR A 45 8.953 -19.667 2.695 1.00 0.00 H new ATOM 0 HG23 THR A 45 10.522 -19.840 3.516 1.00 0.00 H new ATOM 702 N ASP A 46 8.330 -16.305 6.470 1.00 0.00 N ATOM 703 CA ASP A 46 7.650 -15.720 7.620 1.00 0.00 C ATOM 704 C ASP A 46 7.448 -14.220 7.428 1.00 0.00 C ATOM 705 O ASP A 46 8.374 -13.483 7.089 1.00 0.00 O ATOM 706 CB ASP A 46 8.450 -15.979 8.898 1.00 0.00 C ATOM 707 CG ASP A 46 8.043 -17.269 9.584 1.00 0.00 C ATOM 708 OD1 ASP A 46 6.833 -17.450 9.835 1.00 0.00 O ATOM 709 OD2 ASP A 46 8.934 -18.095 9.871 1.00 0.00 O ATOM 0 H ASP A 46 8.899 -15.647 5.937 1.00 0.00 H new ATOM 0 HA ASP A 46 6.671 -16.191 7.710 1.00 0.00 H new ATOM 0 HB2 ASP A 46 9.512 -16.019 8.657 1.00 0.00 H new ATOM 0 HB3 ASP A 46 8.310 -15.145 9.586 1.00 0.00 H new ATOM 714 N PRO A 47 6.209 -13.757 7.648 1.00 0.00 N ATOM 715 CA PRO A 47 5.856 -12.342 7.504 1.00 0.00 C ATOM 716 C PRO A 47 6.479 -11.475 8.593 1.00 0.00 C ATOM 717 O PRO A 47 6.271 -10.262 8.630 1.00 0.00 O ATOM 718 CB PRO A 47 4.330 -12.342 7.628 1.00 0.00 C ATOM 719 CG PRO A 47 4.016 -13.560 8.426 1.00 0.00 C ATOM 720 CD PRO A 47 5.057 -14.579 8.054 1.00 0.00 C ATOM 0 HA PRO A 47 6.221 -11.925 6.565 1.00 0.00 H new ATOM 0 HB2 PRO A 47 3.973 -11.440 8.125 1.00 0.00 H new ATOM 0 HB3 PRO A 47 3.853 -12.376 6.649 1.00 0.00 H new ATOM 0 HG2 PRO A 47 4.045 -13.345 9.494 1.00 0.00 H new ATOM 0 HG3 PRO A 47 3.014 -13.926 8.202 1.00 0.00 H new ATOM 0 HD2 PRO A 47 5.303 -15.228 8.895 1.00 0.00 H new ATOM 0 HD3 PRO A 47 4.717 -15.223 7.243 1.00 0.00 H new ATOM 728 N SER A 48 7.244 -12.105 9.479 1.00 0.00 N ATOM 729 CA SER A 48 7.895 -11.392 10.571 1.00 0.00 C ATOM 730 C SER A 48 9.381 -11.201 10.287 1.00 0.00 C ATOM 731 O SER A 48 9.953 -10.150 10.580 1.00 0.00 O ATOM 732 CB SER A 48 7.709 -12.151 11.887 1.00 0.00 C ATOM 733 OG SER A 48 6.476 -11.815 12.499 1.00 0.00 O ATOM 0 H SER A 48 7.428 -13.108 9.462 1.00 0.00 H new ATOM 0 HA SER A 48 7.431 -10.410 10.657 1.00 0.00 H new ATOM 0 HB2 SER A 48 7.745 -13.224 11.700 1.00 0.00 H new ATOM 0 HB3 SER A 48 8.530 -11.918 12.564 1.00 0.00 H new ATOM 0 HG SER A 48 6.380 -12.314 13.337 1.00 0.00 H new ATOM 739 N THR A 49 10.004 -12.226 9.713 1.00 0.00 N ATOM 740 CA THR A 49 11.424 -12.174 9.389 1.00 0.00 C ATOM 741 C THR A 49 11.699 -11.161 8.283 1.00 0.00 C ATOM 742 O THR A 49 12.635 -10.367 8.374 1.00 0.00 O ATOM 743 CB THR A 49 11.950 -13.553 8.948 1.00 0.00 C ATOM 744 OG1 THR A 49 11.277 -13.978 7.758 1.00 0.00 O ATOM 745 CG2 THR A 49 11.749 -14.586 10.047 1.00 0.00 C ATOM 0 H THR A 49 9.547 -13.103 9.463 1.00 0.00 H new ATOM 0 HA THR A 49 11.944 -11.868 10.296 1.00 0.00 H new ATOM 0 HB THR A 49 13.017 -13.462 8.747 1.00 0.00 H new ATOM 0 HG1 THR A 49 10.330 -13.732 7.812 1.00 0.00 H new ATOM 0 HG21 THR A 49 12.128 -15.552 9.712 1.00 0.00 H new ATOM 0 HG22 THR A 49 12.288 -14.275 10.942 1.00 0.00 H new ATOM 0 HG23 THR A 49 10.687 -14.673 10.275 1.00 0.00 H new ATOM 753 N LEU A 50 10.877 -11.194 7.240 1.00 0.00 N ATOM 754 CA LEU A 50 11.031 -10.277 6.116 1.00 0.00 C ATOM 755 C LEU A 50 11.120 -8.833 6.599 1.00 0.00 C ATOM 756 O LEU A 50 10.224 -8.340 7.286 1.00 0.00 O ATOM 757 CB LEU A 50 9.861 -10.430 5.143 1.00 0.00 C ATOM 758 CG LEU A 50 10.042 -11.466 4.033 1.00 0.00 C ATOM 759 CD1 LEU A 50 9.656 -12.851 4.528 1.00 0.00 C ATOM 760 CD2 LEU A 50 9.220 -11.086 2.810 1.00 0.00 C ATOM 0 H LEU A 50 10.097 -11.845 7.149 1.00 0.00 H new ATOM 0 HA LEU A 50 11.959 -10.526 5.601 1.00 0.00 H new ATOM 0 HB2 LEU A 50 8.971 -10.692 5.715 1.00 0.00 H new ATOM 0 HB3 LEU A 50 9.670 -9.461 4.681 1.00 0.00 H new ATOM 0 HG LEU A 50 11.094 -11.485 3.747 1.00 0.00 H new ATOM 0 HD11 LEU A 50 9.791 -13.575 3.725 1.00 0.00 H new ATOM 0 HD12 LEU A 50 10.288 -13.124 5.373 1.00 0.00 H new ATOM 0 HD13 LEU A 50 8.612 -12.847 4.841 1.00 0.00 H new ATOM 0 HD21 LEU A 50 9.361 -11.834 2.030 1.00 0.00 H new ATOM 0 HD22 LEU A 50 8.165 -11.038 3.081 1.00 0.00 H new ATOM 0 HD23 LEU A 50 9.544 -10.113 2.442 1.00 0.00 H new ATOM 772 N THR A 51 12.206 -8.158 6.235 1.00 0.00 N ATOM 773 CA THR A 51 12.411 -6.770 6.630 1.00 0.00 C ATOM 774 C THR A 51 11.838 -5.812 5.592 1.00 0.00 C ATOM 775 O THR A 51 11.513 -6.215 4.475 1.00 0.00 O ATOM 776 CB THR A 51 13.907 -6.458 6.829 1.00 0.00 C ATOM 777 OG1 THR A 51 14.587 -6.497 5.570 1.00 0.00 O ATOM 778 CG2 THR A 51 14.544 -7.454 7.786 1.00 0.00 C ATOM 0 H THR A 51 12.957 -8.550 5.667 1.00 0.00 H new ATOM 0 HA THR A 51 11.889 -6.630 7.576 1.00 0.00 H new ATOM 0 HB THR A 51 13.994 -5.459 7.257 1.00 0.00 H new ATOM 0 HG1 THR A 51 15.537 -6.296 5.705 1.00 0.00 H new ATOM 0 HG21 THR A 51 15.600 -7.214 7.911 1.00 0.00 H new ATOM 0 HG22 THR A 51 14.043 -7.401 8.753 1.00 0.00 H new ATOM 0 HG23 THR A 51 14.446 -8.461 7.381 1.00 0.00 H new ATOM 786 N GLU A 52 11.718 -4.543 5.967 1.00 0.00 N ATOM 787 CA GLU A 52 11.183 -3.528 5.067 1.00 0.00 C ATOM 788 C GLU A 52 11.713 -3.725 3.649 1.00 0.00 C ATOM 789 O GLU A 52 10.945 -3.757 2.688 1.00 0.00 O ATOM 790 CB GLU A 52 11.545 -2.128 5.568 1.00 0.00 C ATOM 791 CG GLU A 52 10.653 -1.636 6.695 1.00 0.00 C ATOM 792 CD GLU A 52 10.883 -0.173 7.025 1.00 0.00 C ATOM 793 OE1 GLU A 52 10.933 0.646 6.083 1.00 0.00 O ATOM 794 OE2 GLU A 52 11.012 0.152 8.223 1.00 0.00 O ATOM 0 H GLU A 52 11.984 -4.193 6.887 1.00 0.00 H new ATOM 0 HA GLU A 52 10.098 -3.630 5.049 1.00 0.00 H new ATOM 0 HB2 GLU A 52 12.580 -2.130 5.910 1.00 0.00 H new ATOM 0 HB3 GLU A 52 11.485 -1.427 4.736 1.00 0.00 H new ATOM 0 HG2 GLU A 52 9.609 -1.782 6.417 1.00 0.00 H new ATOM 0 HG3 GLU A 52 10.833 -2.238 7.585 1.00 0.00 H new ATOM 801 N GLU A 53 13.030 -3.855 3.528 1.00 0.00 N ATOM 802 CA GLU A 53 13.662 -4.047 2.229 1.00 0.00 C ATOM 803 C GLU A 53 13.042 -5.231 1.492 1.00 0.00 C ATOM 804 O GLU A 53 12.738 -5.145 0.303 1.00 0.00 O ATOM 805 CB GLU A 53 15.167 -4.268 2.396 1.00 0.00 C ATOM 806 CG GLU A 53 15.898 -4.497 1.084 1.00 0.00 C ATOM 807 CD GLU A 53 16.393 -3.208 0.459 1.00 0.00 C ATOM 808 OE1 GLU A 53 15.578 -2.504 -0.174 1.00 0.00 O ATOM 809 OE2 GLU A 53 17.596 -2.901 0.602 1.00 0.00 O ATOM 0 H GLU A 53 13.680 -3.831 4.314 1.00 0.00 H new ATOM 0 HA GLU A 53 13.498 -3.146 1.638 1.00 0.00 H new ATOM 0 HB2 GLU A 53 15.599 -3.402 2.897 1.00 0.00 H new ATOM 0 HB3 GLU A 53 15.329 -5.127 3.047 1.00 0.00 H new ATOM 0 HG2 GLU A 53 16.745 -5.162 1.255 1.00 0.00 H new ATOM 0 HG3 GLU A 53 15.232 -5.003 0.385 1.00 0.00 H new ATOM 816 N GLU A 54 12.860 -6.337 2.208 1.00 0.00 N ATOM 817 CA GLU A 54 12.277 -7.538 1.622 1.00 0.00 C ATOM 818 C GLU A 54 10.841 -7.284 1.173 1.00 0.00 C ATOM 819 O GLU A 54 10.471 -7.585 0.038 1.00 0.00 O ATOM 820 CB GLU A 54 12.312 -8.691 2.628 1.00 0.00 C ATOM 821 CG GLU A 54 13.711 -9.036 3.110 1.00 0.00 C ATOM 822 CD GLU A 54 14.602 -9.550 1.996 1.00 0.00 C ATOM 823 OE1 GLU A 54 14.812 -8.809 1.013 1.00 0.00 O ATOM 824 OE2 GLU A 54 15.089 -10.695 2.107 1.00 0.00 O ATOM 0 H GLU A 54 13.108 -6.426 3.193 1.00 0.00 H new ATOM 0 HA GLU A 54 12.869 -7.809 0.748 1.00 0.00 H new ATOM 0 HB2 GLU A 54 11.695 -8.431 3.488 1.00 0.00 H new ATOM 0 HB3 GLU A 54 11.866 -9.574 2.171 1.00 0.00 H new ATOM 0 HG2 GLU A 54 14.166 -8.151 3.555 1.00 0.00 H new ATOM 0 HG3 GLU A 54 13.645 -9.790 3.895 1.00 0.00 H new ATOM 831 N VAL A 55 10.036 -6.728 2.072 1.00 0.00 N ATOM 832 CA VAL A 55 8.641 -6.432 1.770 1.00 0.00 C ATOM 833 C VAL A 55 8.520 -5.579 0.512 1.00 0.00 C ATOM 834 O VAL A 55 7.867 -5.970 -0.455 1.00 0.00 O ATOM 835 CB VAL A 55 7.955 -5.702 2.940 1.00 0.00 C ATOM 836 CG1 VAL A 55 6.519 -5.352 2.584 1.00 0.00 C ATOM 837 CG2 VAL A 55 8.009 -6.550 4.202 1.00 0.00 C ATOM 0 H VAL A 55 10.326 -6.473 3.016 1.00 0.00 H new ATOM 0 HA VAL A 55 8.143 -7.388 1.607 1.00 0.00 H new ATOM 0 HB VAL A 55 8.493 -4.773 3.130 1.00 0.00 H new ATOM 0 HG11 VAL A 55 6.051 -4.837 3.423 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.509 -4.703 1.709 1.00 0.00 H new ATOM 0 HG13 VAL A 55 5.966 -6.265 2.365 1.00 0.00 H new ATOM 0 HG21 VAL A 55 7.520 -6.019 5.018 1.00 0.00 H new ATOM 0 HG22 VAL A 55 7.497 -7.496 4.027 1.00 0.00 H new ATOM 0 HG23 VAL A 55 9.049 -6.743 4.466 1.00 0.00 H new ATOM 847 N ARG A 56 9.154 -4.411 0.533 1.00 0.00 N ATOM 848 CA ARG A 56 9.117 -3.501 -0.605 1.00 0.00 C ATOM 849 C ARG A 56 9.456 -4.236 -1.899 1.00 0.00 C ATOM 850 O ARG A 56 8.895 -3.945 -2.956 1.00 0.00 O ATOM 851 CB ARG A 56 10.095 -2.344 -0.393 1.00 0.00 C ATOM 852 CG ARG A 56 11.548 -2.781 -0.309 1.00 0.00 C ATOM 853 CD ARG A 56 12.495 -1.607 -0.495 1.00 0.00 C ATOM 854 NE ARG A 56 12.799 -1.366 -1.903 1.00 0.00 N ATOM 855 CZ ARG A 56 13.591 -0.388 -2.327 1.00 0.00 C ATOM 856 NH1 ARG A 56 14.155 0.437 -1.457 1.00 0.00 N ATOM 857 NH2 ARG A 56 13.819 -0.233 -3.625 1.00 0.00 N ATOM 0 H ARG A 56 9.699 -4.073 1.326 1.00 0.00 H new ATOM 0 HA ARG A 56 8.106 -3.102 -0.687 1.00 0.00 H new ATOM 0 HB2 ARG A 56 9.985 -1.632 -1.211 1.00 0.00 H new ATOM 0 HB3 ARG A 56 9.829 -1.818 0.524 1.00 0.00 H new ATOM 0 HG2 ARG A 56 11.733 -3.249 0.658 1.00 0.00 H new ATOM 0 HG3 ARG A 56 11.747 -3.534 -1.071 1.00 0.00 H new ATOM 0 HD2 ARG A 56 12.051 -0.711 -0.062 1.00 0.00 H new ATOM 0 HD3 ARG A 56 13.421 -1.798 0.048 1.00 0.00 H new ATOM 0 HE ARG A 56 12.380 -1.983 -2.599 1.00 0.00 H new ATOM 0 HH11 ARG A 56 13.981 0.322 -0.459 1.00 0.00 H new ATOM 0 HH12 ARG A 56 14.763 1.187 -1.786 1.00 0.00 H new ATOM 0 HH21 ARG A 56 13.386 -0.865 -4.298 1.00 0.00 H new ATOM 0 HH22 ARG A 56 14.427 0.518 -3.950 1.00 0.00 H new ATOM 871 N LYS A 57 10.378 -5.188 -1.809 1.00 0.00 N ATOM 872 CA LYS A 57 10.792 -5.966 -2.971 1.00 0.00 C ATOM 873 C LYS A 57 9.695 -6.938 -3.394 1.00 0.00 C ATOM 874 O LYS A 57 9.444 -7.125 -4.585 1.00 0.00 O ATOM 875 CB LYS A 57 12.079 -6.735 -2.663 1.00 0.00 C ATOM 876 CG LYS A 57 13.328 -5.872 -2.705 1.00 0.00 C ATOM 877 CD LYS A 57 14.483 -6.526 -1.966 1.00 0.00 C ATOM 878 CE LYS A 57 15.260 -7.471 -2.870 1.00 0.00 C ATOM 879 NZ LYS A 57 16.014 -6.736 -3.923 1.00 0.00 N ATOM 0 H LYS A 57 10.853 -5.440 -0.942 1.00 0.00 H new ATOM 0 HA LYS A 57 10.977 -5.275 -3.793 1.00 0.00 H new ATOM 0 HB2 LYS A 57 11.994 -7.188 -1.675 1.00 0.00 H new ATOM 0 HB3 LYS A 57 12.186 -7.549 -3.380 1.00 0.00 H new ATOM 0 HG2 LYS A 57 13.613 -5.693 -3.742 1.00 0.00 H new ATOM 0 HG3 LYS A 57 13.115 -4.900 -2.261 1.00 0.00 H new ATOM 0 HD2 LYS A 57 15.152 -5.757 -1.581 1.00 0.00 H new ATOM 0 HD3 LYS A 57 14.101 -7.076 -1.106 1.00 0.00 H new ATOM 0 HE2 LYS A 57 15.954 -8.059 -2.270 1.00 0.00 H new ATOM 0 HE3 LYS A 57 14.571 -8.173 -3.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 16.795 -7.329 -4.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 15.376 -6.509 -4.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 16.398 -5.855 -3.524 1.00 0.00 H new ATOM 893 N PHE A 58 9.044 -7.553 -2.412 1.00 0.00 N ATOM 894 CA PHE A 58 7.974 -8.505 -2.683 1.00 0.00 C ATOM 895 C PHE A 58 6.648 -7.783 -2.909 1.00 0.00 C ATOM 896 O PHE A 58 5.577 -8.376 -2.782 1.00 0.00 O ATOM 897 CB PHE A 58 7.837 -9.495 -1.524 1.00 0.00 C ATOM 898 CG PHE A 58 6.826 -10.577 -1.776 1.00 0.00 C ATOM 899 CD1 PHE A 58 7.136 -11.657 -2.586 1.00 0.00 C ATOM 900 CD2 PHE A 58 5.567 -10.513 -1.203 1.00 0.00 C ATOM 901 CE1 PHE A 58 6.208 -12.655 -2.819 1.00 0.00 C ATOM 902 CE2 PHE A 58 4.635 -11.507 -1.432 1.00 0.00 C ATOM 903 CZ PHE A 58 4.956 -12.579 -2.242 1.00 0.00 C ATOM 0 H PHE A 58 9.239 -7.409 -1.421 1.00 0.00 H new ATOM 0 HA PHE A 58 8.230 -9.052 -3.591 1.00 0.00 H new ATOM 0 HB2 PHE A 58 8.807 -9.953 -1.331 1.00 0.00 H new ATOM 0 HB3 PHE A 58 7.557 -8.950 -0.622 1.00 0.00 H new ATOM 0 HD1 PHE A 58 8.114 -11.720 -3.041 1.00 0.00 H new ATOM 0 HD2 PHE A 58 5.311 -9.676 -0.570 1.00 0.00 H new ATOM 0 HE1 PHE A 58 6.462 -13.493 -3.451 1.00 0.00 H new ATOM 0 HE2 PHE A 58 3.657 -11.446 -0.978 1.00 0.00 H new ATOM 0 HZ PHE A 58 4.229 -13.356 -2.424 1.00 0.00 H new ATOM 913 N ALA A 59 6.730 -6.500 -3.246 1.00 0.00 N ATOM 914 CA ALA A 59 5.538 -5.698 -3.491 1.00 0.00 C ATOM 915 C ALA A 59 5.477 -5.236 -4.943 1.00 0.00 C ATOM 916 O ALA A 59 4.395 -5.068 -5.506 1.00 0.00 O ATOM 917 CB ALA A 59 5.505 -4.501 -2.553 1.00 0.00 C ATOM 0 H ALA A 59 7.609 -5.994 -3.355 1.00 0.00 H new ATOM 0 HA ALA A 59 4.665 -6.321 -3.298 1.00 0.00 H new ATOM 0 HB1 ALA A 59 4.609 -3.911 -2.747 1.00 0.00 H new ATOM 0 HB2 ALA A 59 5.494 -4.848 -1.520 1.00 0.00 H new ATOM 0 HB3 ALA A 59 6.389 -3.884 -2.719 1.00 0.00 H new ATOM 923 N ARG A 60 6.645 -5.031 -5.544 1.00 0.00 N ATOM 924 CA ARG A 60 6.724 -4.586 -6.930 1.00 0.00 C ATOM 925 C ARG A 60 6.813 -5.777 -7.879 1.00 0.00 C ATOM 926 O ARG A 60 6.237 -5.762 -8.968 1.00 0.00 O ATOM 927 CB ARG A 60 7.935 -3.672 -7.126 1.00 0.00 C ATOM 928 CG ARG A 60 7.770 -2.298 -6.497 1.00 0.00 C ATOM 929 CD ARG A 60 8.940 -1.387 -6.832 1.00 0.00 C ATOM 930 NE ARG A 60 9.078 -1.181 -8.271 1.00 0.00 N ATOM 931 CZ ARG A 60 9.930 -0.316 -8.812 1.00 0.00 C ATOM 932 NH1 ARG A 60 10.715 0.418 -8.036 1.00 0.00 N ATOM 933 NH2 ARG A 60 9.997 -0.185 -10.130 1.00 0.00 N ATOM 0 H ARG A 60 7.550 -5.166 -5.092 1.00 0.00 H new ATOM 0 HA ARG A 60 5.816 -4.028 -7.159 1.00 0.00 H new ATOM 0 HB2 ARG A 60 8.815 -4.154 -6.701 1.00 0.00 H new ATOM 0 HB3 ARG A 60 8.121 -3.554 -8.193 1.00 0.00 H new ATOM 0 HG2 ARG A 60 6.843 -1.845 -6.848 1.00 0.00 H new ATOM 0 HG3 ARG A 60 7.685 -2.400 -5.415 1.00 0.00 H new ATOM 0 HD2 ARG A 60 8.803 -0.424 -6.339 1.00 0.00 H new ATOM 0 HD3 ARG A 60 9.860 -1.818 -6.438 1.00 0.00 H new ATOM 0 HE ARG A 60 8.488 -1.731 -8.895 1.00 0.00 H new ATOM 0 HH11 ARG A 60 10.666 0.320 -7.022 1.00 0.00 H new ATOM 0 HH12 ARG A 60 11.368 1.081 -8.453 1.00 0.00 H new ATOM 0 HH21 ARG A 60 9.394 -0.748 -10.730 1.00 0.00 H new ATOM 0 HH22 ARG A 60 10.651 0.479 -10.544 1.00 0.00 H new ATOM 947 N LEU A 61 7.539 -6.808 -7.460 1.00 0.00 N ATOM 948 CA LEU A 61 7.704 -8.008 -8.272 1.00 0.00 C ATOM 949 C LEU A 61 6.355 -8.522 -8.765 1.00 0.00 C ATOM 950 O LEU A 61 6.287 -9.303 -9.713 1.00 0.00 O ATOM 951 CB LEU A 61 8.416 -9.098 -7.469 1.00 0.00 C ATOM 952 CG LEU A 61 7.522 -9.980 -6.597 1.00 0.00 C ATOM 953 CD1 LEU A 61 6.622 -9.125 -5.718 1.00 0.00 C ATOM 954 CD2 LEU A 61 6.692 -10.918 -7.461 1.00 0.00 C ATOM 0 H LEU A 61 8.023 -6.837 -6.562 1.00 0.00 H new ATOM 0 HA LEU A 61 8.312 -7.749 -9.139 1.00 0.00 H new ATOM 0 HB2 LEU A 61 8.957 -9.739 -8.165 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.159 -8.623 -6.829 1.00 0.00 H new ATOM 0 HG LEU A 61 8.160 -10.583 -5.950 1.00 0.00 H new ATOM 0 HD11 LEU A 61 5.993 -9.770 -5.105 1.00 0.00 H new ATOM 0 HD12 LEU A 61 7.235 -8.496 -5.073 1.00 0.00 H new ATOM 0 HD13 LEU A 61 5.992 -8.495 -6.346 1.00 0.00 H new ATOM 0 HD21 LEU A 61 6.062 -11.538 -6.823 1.00 0.00 H new ATOM 0 HD22 LEU A 61 6.064 -10.333 -8.133 1.00 0.00 H new ATOM 0 HD23 LEU A 61 7.355 -11.556 -8.046 1.00 0.00 H new ATOM 966 N ASN A 62 5.285 -8.076 -8.116 1.00 0.00 N ATOM 967 CA ASN A 62 3.937 -8.490 -8.489 1.00 0.00 C ATOM 968 C ASN A 62 3.187 -7.350 -9.170 1.00 0.00 C ATOM 969 O ASN A 62 2.763 -6.395 -8.517 1.00 0.00 O ATOM 970 CB ASN A 62 3.165 -8.959 -7.254 1.00 0.00 C ATOM 971 CG ASN A 62 1.867 -9.656 -7.614 1.00 0.00 C ATOM 972 OD1 ASN A 62 1.734 -10.224 -8.698 1.00 0.00 O ATOM 973 ND2 ASN A 62 0.901 -9.615 -6.703 1.00 0.00 N ATOM 0 H ASN A 62 5.325 -7.428 -7.329 1.00 0.00 H new ATOM 0 HA ASN A 62 4.019 -9.318 -9.193 1.00 0.00 H new ATOM 0 HB2 ASN A 62 3.790 -9.638 -6.674 1.00 0.00 H new ATOM 0 HB3 ASN A 62 2.949 -8.102 -6.616 1.00 0.00 H new ATOM 0 HD21 ASN A 62 0.005 -10.066 -6.889 1.00 0.00 H new ATOM 0 HD22 ASN A 62 1.055 -9.133 -5.818 1.00 0.00 H new ATOM 980 N ILE A 63 3.026 -7.456 -10.484 1.00 0.00 N ATOM 981 CA ILE A 63 2.325 -6.435 -11.253 1.00 0.00 C ATOM 982 C ILE A 63 1.212 -7.048 -12.096 1.00 0.00 C ATOM 983 O ILE A 63 1.383 -8.114 -12.687 1.00 0.00 O ATOM 984 CB ILE A 63 3.288 -5.665 -12.176 1.00 0.00 C ATOM 985 CG1 ILE A 63 4.404 -5.014 -11.356 1.00 0.00 C ATOM 986 CG2 ILE A 63 2.530 -4.616 -12.976 1.00 0.00 C ATOM 987 CD1 ILE A 63 5.563 -4.524 -12.195 1.00 0.00 C ATOM 0 H ILE A 63 3.372 -8.239 -11.039 1.00 0.00 H new ATOM 0 HA ILE A 63 1.891 -5.741 -10.533 1.00 0.00 H new ATOM 0 HB ILE A 63 3.740 -6.370 -12.874 1.00 0.00 H new ATOM 0 HG12 ILE A 63 3.991 -4.175 -10.797 1.00 0.00 H new ATOM 0 HG13 ILE A 63 4.774 -5.733 -10.625 1.00 0.00 H new ATOM 0 HG21 ILE A 63 3.224 -4.080 -13.623 1.00 0.00 H new ATOM 0 HG22 ILE A 63 1.768 -5.103 -13.585 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.054 -3.912 -12.294 1.00 0.00 H new ATOM 0 HD11 ILE A 63 6.316 -4.074 -11.548 1.00 0.00 H new ATOM 0 HD12 ILE A 63 6.002 -5.363 -12.734 1.00 0.00 H new ATOM 0 HD13 ILE A 63 5.207 -3.781 -12.908 1.00 0.00 H new ATOM 999 N ASP A 64 0.073 -6.367 -12.148 1.00 0.00 N ATOM 1000 CA ASP A 64 -1.068 -6.842 -12.921 1.00 0.00 C ATOM 1001 C ASP A 64 -1.052 -6.257 -14.330 1.00 0.00 C ATOM 1002 O ASP A 64 -0.409 -5.242 -14.599 1.00 0.00 O ATOM 1003 CB ASP A 64 -2.376 -6.476 -12.218 1.00 0.00 C ATOM 1004 CG ASP A 64 -2.803 -7.523 -11.208 1.00 0.00 C ATOM 1005 OD1 ASP A 64 -1.920 -8.087 -10.528 1.00 0.00 O ATOM 1006 OD2 ASP A 64 -4.020 -7.777 -11.095 1.00 0.00 O ATOM 0 H ASP A 64 -0.085 -5.483 -11.663 1.00 0.00 H new ATOM 0 HA ASP A 64 -0.997 -7.927 -12.997 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -2.258 -5.516 -11.715 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -3.163 -6.351 -12.962 1.00 0.00 H new ATOM 1011 N PRO A 65 -1.775 -6.911 -15.251 1.00 0.00 N ATOM 1012 CA PRO A 65 -1.860 -6.474 -16.647 1.00 0.00 C ATOM 1013 C PRO A 65 -2.651 -5.179 -16.803 1.00 0.00 C ATOM 1014 O PRO A 65 -2.469 -4.442 -17.771 1.00 0.00 O ATOM 1015 CB PRO A 65 -2.586 -7.631 -17.338 1.00 0.00 C ATOM 1016 CG PRO A 65 -3.378 -8.280 -16.256 1.00 0.00 C ATOM 1017 CD PRO A 65 -2.566 -8.127 -15.000 1.00 0.00 C ATOM 0 HA PRO A 65 -0.877 -6.258 -17.066 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -3.231 -7.271 -18.140 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -1.880 -8.330 -17.786 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -4.354 -7.807 -16.150 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -3.556 -9.332 -16.480 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -3.202 -8.019 -14.121 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -1.927 -8.993 -14.826 1.00 0.00 H new ATOM 1025 N ALA A 66 -3.529 -4.909 -15.843 1.00 0.00 N ATOM 1026 CA ALA A 66 -4.346 -3.703 -15.872 1.00 0.00 C ATOM 1027 C ALA A 66 -3.502 -2.476 -16.202 1.00 0.00 C ATOM 1028 O ALA A 66 -3.902 -1.632 -17.005 1.00 0.00 O ATOM 1029 CB ALA A 66 -5.057 -3.514 -14.540 1.00 0.00 C ATOM 0 H ALA A 66 -3.693 -5.510 -15.035 1.00 0.00 H new ATOM 0 HA ALA A 66 -5.094 -3.820 -16.657 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -5.664 -2.609 -14.577 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -5.699 -4.373 -14.345 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -4.319 -3.424 -13.743 1.00 0.00 H new ATOM 1035 N THR A 67 -2.333 -2.383 -15.578 1.00 0.00 N ATOM 1036 CA THR A 67 -1.433 -1.259 -15.803 1.00 0.00 C ATOM 1037 C THR A 67 -1.173 -1.053 -17.291 1.00 0.00 C ATOM 1038 O THR A 67 -1.191 0.076 -17.784 1.00 0.00 O ATOM 1039 CB THR A 67 -0.087 -1.462 -15.082 1.00 0.00 C ATOM 1040 OG1 THR A 67 0.485 -2.720 -15.458 1.00 0.00 O ATOM 1041 CG2 THR A 67 -0.270 -1.413 -13.573 1.00 0.00 C ATOM 0 H THR A 67 -1.987 -3.073 -14.912 1.00 0.00 H new ATOM 0 HA THR A 67 -1.924 -0.375 -15.396 1.00 0.00 H new ATOM 0 HB THR A 67 0.584 -0.656 -15.377 1.00 0.00 H new ATOM 0 HG1 THR A 67 -0.008 -3.447 -15.023 1.00 0.00 H new ATOM 0 HG21 THR A 67 0.694 -1.559 -13.085 1.00 0.00 H new ATOM 0 HG22 THR A 67 -0.679 -0.444 -13.287 1.00 0.00 H new ATOM 0 HG23 THR A 67 -0.956 -2.201 -13.264 1.00 0.00 H new ATOM 1049 N ILE A 68 -0.933 -2.149 -18.002 1.00 0.00 N ATOM 1050 CA ILE A 68 -0.671 -2.088 -19.435 1.00 0.00 C ATOM 1051 C ILE A 68 -1.669 -1.173 -20.137 1.00 0.00 C ATOM 1052 O ILE A 68 -2.872 -1.233 -19.880 1.00 0.00 O ATOM 1053 CB ILE A 68 -0.732 -3.486 -20.079 1.00 0.00 C ATOM 1054 CG1 ILE A 68 0.282 -4.421 -19.416 1.00 0.00 C ATOM 1055 CG2 ILE A 68 -0.475 -3.392 -21.575 1.00 0.00 C ATOM 1056 CD1 ILE A 68 1.716 -3.969 -19.579 1.00 0.00 C ATOM 0 H ILE A 68 -0.914 -3.090 -17.609 1.00 0.00 H new ATOM 0 HA ILE A 68 0.335 -1.686 -19.555 1.00 0.00 H new ATOM 0 HB ILE A 68 -1.730 -3.897 -19.927 1.00 0.00 H new ATOM 0 HG12 ILE A 68 0.052 -4.498 -18.353 1.00 0.00 H new ATOM 0 HG13 ILE A 68 0.174 -5.420 -19.839 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -0.521 -4.388 -22.015 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -1.232 -2.756 -22.035 1.00 0.00 H new ATOM 0 HG23 ILE A 68 0.512 -2.964 -21.748 1.00 0.00 H new ATOM 0 HD11 ILE A 68 2.380 -4.678 -19.085 1.00 0.00 H new ATOM 0 HD12 ILE A 68 1.963 -3.919 -20.639 1.00 0.00 H new ATOM 0 HD13 ILE A 68 1.840 -2.983 -19.131 1.00 0.00 H new ATOM 1068 N THR A 69 -1.162 -0.327 -21.028 1.00 0.00 N ATOM 1069 CA THR A 69 -2.008 0.600 -21.769 1.00 0.00 C ATOM 1070 C THR A 69 -1.396 0.942 -23.123 1.00 0.00 C ATOM 1071 O THR A 69 -0.190 1.165 -23.230 1.00 0.00 O ATOM 1072 CB THR A 69 -2.239 1.903 -20.980 1.00 0.00 C ATOM 1073 OG1 THR A 69 -3.073 2.791 -21.733 1.00 0.00 O ATOM 1074 CG2 THR A 69 -0.917 2.587 -20.665 1.00 0.00 C ATOM 0 H THR A 69 -0.169 -0.265 -21.254 1.00 0.00 H new ATOM 0 HA THR A 69 -2.965 0.101 -21.921 1.00 0.00 H new ATOM 0 HB THR A 69 -2.732 1.650 -20.041 1.00 0.00 H new ATOM 0 HG1 THR A 69 -3.216 3.616 -21.224 1.00 0.00 H new ATOM 0 HG21 THR A 69 -1.106 3.505 -20.108 1.00 0.00 H new ATOM 0 HG22 THR A 69 -0.296 1.920 -20.067 1.00 0.00 H new ATOM 0 HG23 THR A 69 -0.401 2.827 -21.595 1.00 0.00 H new ATOM 1082 N TRP A 70 -2.233 0.981 -24.152 1.00 0.00 N ATOM 1083 CA TRP A 70 -1.773 1.296 -25.500 1.00 0.00 C ATOM 1084 C TRP A 70 -2.680 2.331 -26.157 1.00 0.00 C ATOM 1085 O TRP A 70 -3.824 2.036 -26.501 1.00 0.00 O ATOM 1086 CB TRP A 70 -1.724 0.028 -26.354 1.00 0.00 C ATOM 1087 CG TRP A 70 -0.697 -0.960 -25.890 1.00 0.00 C ATOM 1088 CD1 TRP A 70 -0.924 -2.234 -25.454 1.00 0.00 C ATOM 1089 CD2 TRP A 70 0.718 -0.755 -25.816 1.00 0.00 C ATOM 1090 NE1 TRP A 70 0.265 -2.833 -25.112 1.00 0.00 N ATOM 1091 CE2 TRP A 70 1.287 -1.947 -25.326 1.00 0.00 C ATOM 1092 CE3 TRP A 70 1.560 0.319 -26.117 1.00 0.00 C ATOM 1093 CZ2 TRP A 70 2.658 -2.091 -25.131 1.00 0.00 C ATOM 1094 CZ3 TRP A 70 2.920 0.174 -25.922 1.00 0.00 C ATOM 1095 CH2 TRP A 70 3.459 -1.024 -25.434 1.00 0.00 C ATOM 0 H TRP A 70 -3.234 0.799 -24.080 1.00 0.00 H new ATOM 0 HA TRP A 70 -0.769 1.715 -25.426 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -2.705 -0.447 -26.344 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -1.513 0.302 -27.388 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -1.895 -2.702 -25.388 1.00 0.00 H new ATOM 0 HE1 TRP A 70 0.369 -3.783 -24.756 1.00 0.00 H new ATOM 0 HE3 TRP A 70 1.155 1.246 -26.495 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 3.075 -3.013 -24.754 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 3.579 0.998 -26.150 1.00 0.00 H new ATOM 0 HH2 TRP A 70 4.527 -1.107 -25.294 1.00 0.00 H new ATOM 1106 N GLN A 71 -2.162 3.543 -26.327 1.00 0.00 N ATOM 1107 CA GLN A 71 -2.927 4.620 -26.943 1.00 0.00 C ATOM 1108 C GLN A 71 -3.007 4.437 -28.455 1.00 0.00 C ATOM 1109 O GLN A 71 -2.330 3.580 -29.023 1.00 0.00 O ATOM 1110 CB GLN A 71 -2.296 5.975 -26.614 1.00 0.00 C ATOM 1111 CG GLN A 71 -3.051 7.156 -27.201 1.00 0.00 C ATOM 1112 CD GLN A 71 -4.262 7.544 -26.375 1.00 0.00 C ATOM 1113 OE1 GLN A 71 -4.178 8.402 -25.495 1.00 0.00 O ATOM 1114 NE2 GLN A 71 -5.396 6.913 -26.654 1.00 0.00 N ATOM 0 H GLN A 71 -1.216 3.803 -26.047 1.00 0.00 H new ATOM 0 HA GLN A 71 -3.939 4.590 -26.538 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -2.245 6.089 -25.531 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -1.271 5.989 -26.985 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -2.379 8.011 -27.277 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -3.370 6.911 -28.214 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -5.420 6.209 -27.392 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -6.244 7.132 -26.131 1.00 0.00 H new TER 1123 GLN A 71