USER MOD reduce.3.24.130724 H: found=0, std=0, add=469, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 469 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 40 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 48 ASN : amide:sc=-0.00513 X(o=-0.0051,f=0) USER MOD Single : A 2 SER OG : rot -102:sc= 0.336 USER MOD Single : A 2ALYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -154:sc= -0.64 (180deg=-1.79!) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 5:sc= -5.59! USER MOD Single : A 11 SER OG : rot 180:sc= -0.783 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= -1.95! USER MOD Single : A 18 HIS : no HE2:sc= -0.977 X(o=-0.98,f=-1.1) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 119:sc= -1.57! USER MOD Single : A 56 SER OG : rot -12:sc= -0.372 USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 130 THR OG1 : rot 180:sc= 0.0617 USER MOD Single : A 139 SER OG : rot 180:sc= 0 USER MOD Single : A 140 HIS : no HD1:sc= -7.57! K(o=-7.6!,f=-3.1) USER MOD Single : A 143 LYS NZ :NH3+ -124:sc=-0.00143 (180deg=-1.94!) USER MOD ----------------------------------------------------------------- ATOM 10 N SER A 2 5.132 8.381 7.535 1.00 0.00 N ATOM 11 CA SER A 2 5.269 6.930 7.497 1.00 0.00 C ATOM 12 C SER A 2 6.716 6.526 7.236 1.00 0.00 C ATOM 13 O SER A 2 7.623 7.357 7.291 1.00 0.00 O ATOM 14 CB SER A 2 4.361 6.343 6.414 1.00 0.00 C ATOM 15 OG SER A 2 4.787 6.742 5.122 1.00 0.00 O ATOM 0 HA SER A 2 4.971 6.535 8.468 1.00 0.00 H new ATOM 0 HB2 SER A 2 4.364 5.255 6.482 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.334 6.669 6.579 1.00 0.00 H new ATOM 0 HG SER A 2 4.214 7.468 4.798 1.00 0.00 H new ATOM 21 N LYS A 2A 6.923 5.246 6.946 1.00 0.00 N ATOM 22 CA LYS A 2A 8.257 4.729 6.668 1.00 0.00 C ATOM 23 C LYS A 2A 8.508 4.671 5.165 1.00 0.00 C ATOM 24 O LYS A 2A 9.270 3.832 4.683 1.00 0.00 O ATOM 25 CB LYS A 2A 8.423 3.338 7.281 1.00 0.00 C ATOM 26 CG LYS A 2A 7.898 3.235 8.705 1.00 0.00 C ATOM 27 CD LYS A 2A 6.612 2.423 8.771 1.00 0.00 C ATOM 28 CE LYS A 2A 5.387 3.319 8.867 1.00 0.00 C ATOM 29 NZ LYS A 2A 4.503 2.932 10.001 1.00 0.00 N ATOM 0 H LYS A 2A 6.182 4.547 6.897 1.00 0.00 H new ATOM 0 HA LYS A 2A 8.987 5.403 7.116 1.00 0.00 H new ATOM 0 HB2 LYS A 2A 7.903 2.611 6.657 1.00 0.00 H new ATOM 0 HB3 LYS A 2A 9.479 3.069 7.271 1.00 0.00 H new ATOM 0 HG2 LYS A 2A 8.654 2.772 9.339 1.00 0.00 H new ATOM 0 HG3 LYS A 2A 7.718 4.235 9.100 1.00 0.00 H new ATOM 0 HD2 LYS A 2A 6.534 1.793 7.885 1.00 0.00 H new ATOM 0 HD3 LYS A 2A 6.645 1.758 9.634 1.00 0.00 H new ATOM 0 HE2 LYS A 2A 5.704 4.355 8.991 1.00 0.00 H new ATOM 0 HE3 LYS A 2A 4.825 3.267 7.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 2A 3.680 3.567 10.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 2A 4.180 1.952 9.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 2A 5.031 3.006 10.894 1.00 0.00 H new ATOM 43 N LEU A 2B 7.857 5.567 4.429 1.00 0.00 N ATOM 44 CA LEU A 2B 8.000 5.623 2.981 1.00 0.00 C ATOM 45 C LEU A 2B 9.371 6.167 2.588 1.00 0.00 C ATOM 46 O LEU A 2B 9.590 7.378 2.581 1.00 0.00 O ATOM 47 CB LEU A 2B 6.894 6.495 2.381 1.00 0.00 C ATOM 48 CG LEU A 2B 5.817 5.733 1.607 1.00 0.00 C ATOM 49 CD1 LEU A 2B 5.047 4.811 2.538 1.00 0.00 C ATOM 50 CD2 LEU A 2B 4.871 6.703 0.912 1.00 0.00 C ATOM 0 H LEU A 2B 7.223 6.266 4.815 1.00 0.00 H new ATOM 0 HA LEU A 2B 7.912 4.610 2.587 1.00 0.00 H new ATOM 0 HB2 LEU A 2B 6.415 7.053 3.186 1.00 0.00 H new ATOM 0 HB3 LEU A 2B 7.350 7.226 1.714 1.00 0.00 H new ATOM 0 HG LEU A 2B 6.305 5.125 0.845 1.00 0.00 H new ATOM 0 HD11 LEU A 2B 4.285 4.276 1.972 1.00 0.00 H new ATOM 0 HD12 LEU A 2B 5.733 4.094 2.990 1.00 0.00 H new ATOM 0 HD13 LEU A 2B 4.570 5.400 3.321 1.00 0.00 H new ATOM 0 HD21 LEU A 2B 4.112 6.143 0.366 1.00 0.00 H new ATOM 0 HD22 LEU A 2B 4.389 7.337 1.656 1.00 0.00 H new ATOM 0 HD23 LEU A 2B 5.434 7.324 0.215 1.00 0.00 H new ATOM 62 N GLU A 3 10.288 5.263 2.261 1.00 0.00 N ATOM 63 CA GLU A 3 11.637 5.651 1.865 1.00 0.00 C ATOM 64 C GLU A 3 12.104 4.837 0.664 1.00 0.00 C ATOM 65 O GLU A 3 12.832 3.855 0.812 1.00 0.00 O ATOM 66 CB GLU A 3 12.608 5.463 3.032 1.00 0.00 C ATOM 67 CG GLU A 3 12.417 4.151 3.773 1.00 0.00 C ATOM 68 CD GLU A 3 13.580 3.824 4.690 1.00 0.00 C ATOM 69 OE1 GLU A 3 14.269 4.767 5.133 1.00 0.00 O ATOM 70 OE2 GLU A 3 13.800 2.626 4.966 1.00 0.00 O ATOM 0 H GLU A 3 10.122 4.257 2.262 1.00 0.00 H new ATOM 0 HA GLU A 3 11.619 6.704 1.584 1.00 0.00 H new ATOM 0 HB2 GLU A 3 13.630 5.513 2.656 1.00 0.00 H new ATOM 0 HB3 GLU A 3 12.485 6.288 3.733 1.00 0.00 H new ATOM 0 HG2 GLU A 3 11.499 4.199 4.359 1.00 0.00 H new ATOM 0 HG3 GLU A 3 12.291 3.345 3.050 1.00 0.00 H new ATOM 77 N GLY A 4 11.678 5.248 -0.527 1.00 0.00 N ATOM 78 CA GLY A 4 12.062 4.541 -1.735 1.00 0.00 C ATOM 79 C GLY A 4 11.515 3.128 -1.771 1.00 0.00 C ATOM 80 O GLY A 4 11.568 2.412 -0.772 1.00 0.00 O ATOM 0 H GLY A 4 11.075 6.057 -0.677 1.00 0.00 H new ATOM 0 HA2 GLY A 4 11.702 5.090 -2.605 1.00 0.00 H new ATOM 0 HA3 GLY A 4 13.149 4.510 -1.805 1.00 0.00 H new ATOM 84 N LYS A 5 10.983 2.725 -2.921 1.00 0.00 N ATOM 85 CA LYS A 5 10.424 1.387 -3.068 1.00 0.00 C ATOM 86 C LYS A 5 10.559 0.882 -4.503 1.00 0.00 C ATOM 87 O LYS A 5 11.260 1.479 -5.319 1.00 0.00 O ATOM 88 CB LYS A 5 8.956 1.380 -2.637 1.00 0.00 C ATOM 89 CG LYS A 5 8.728 0.732 -1.279 1.00 0.00 C ATOM 90 CD LYS A 5 7.831 -0.493 -1.385 1.00 0.00 C ATOM 91 CE LYS A 5 8.594 -1.787 -1.131 1.00 0.00 C ATOM 92 NZ LYS A 5 9.995 -1.733 -1.637 1.00 0.00 N ATOM 0 H LYS A 5 10.928 3.303 -3.760 1.00 0.00 H new ATOM 0 HA LYS A 5 10.988 0.713 -2.424 1.00 0.00 H new ATOM 0 HB2 LYS A 5 8.589 2.406 -2.608 1.00 0.00 H new ATOM 0 HB3 LYS A 5 8.367 0.852 -3.387 1.00 0.00 H new ATOM 0 HG2 LYS A 5 9.687 0.445 -0.847 1.00 0.00 H new ATOM 0 HG3 LYS A 5 8.277 1.456 -0.601 1.00 0.00 H new ATOM 0 HD2 LYS A 5 7.015 -0.407 -0.667 1.00 0.00 H new ATOM 0 HD3 LYS A 5 7.381 -0.527 -2.377 1.00 0.00 H new ATOM 0 HE2 LYS A 5 8.605 -1.994 -0.061 1.00 0.00 H new ATOM 0 HE3 LYS A 5 8.070 -2.614 -1.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 10.324 -2.696 -1.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 10.030 -1.155 -2.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 10.610 -1.311 -0.912 1.00 0.00 H new ATOM 106 N THR A 6 9.889 -0.230 -4.798 1.00 0.00 N ATOM 107 CA THR A 6 9.938 -0.830 -6.127 1.00 0.00 C ATOM 108 C THR A 6 9.094 -0.049 -7.128 1.00 0.00 C ATOM 109 O THR A 6 9.562 0.289 -8.215 1.00 0.00 O ATOM 110 CB THR A 6 9.462 -2.282 -6.069 1.00 0.00 C ATOM 111 OG1 THR A 6 9.482 -2.868 -7.359 1.00 0.00 O ATOM 112 CG2 THR A 6 8.061 -2.437 -5.516 1.00 0.00 C ATOM 0 H THR A 6 9.304 -0.734 -4.131 1.00 0.00 H new ATOM 0 HA THR A 6 10.974 -0.800 -6.464 1.00 0.00 H new ATOM 0 HB THR A 6 10.156 -2.784 -5.395 1.00 0.00 H new ATOM 0 HG1 THR A 6 9.176 -3.797 -7.301 1.00 0.00 H new ATOM 0 HG21 THR A 6 7.789 -3.493 -5.504 1.00 0.00 H new ATOM 0 HG22 THR A 6 8.025 -2.041 -4.501 1.00 0.00 H new ATOM 0 HG23 THR A 6 7.359 -1.889 -6.144 1.00 0.00 H new ATOM 120 N CYS A 7 7.848 0.233 -6.759 1.00 0.00 N ATOM 121 CA CYS A 7 6.939 0.973 -7.633 1.00 0.00 C ATOM 122 C CYS A 7 6.946 0.384 -9.047 1.00 0.00 C ATOM 123 O CYS A 7 7.438 1.009 -9.987 1.00 0.00 O ATOM 124 CB CYS A 7 7.317 2.465 -7.689 1.00 0.00 C ATOM 125 SG CYS A 7 8.637 2.978 -6.536 1.00 0.00 S ATOM 0 H CYS A 7 7.444 -0.038 -5.863 1.00 0.00 H new ATOM 0 HA CYS A 7 5.936 0.883 -7.217 1.00 0.00 H new ATOM 0 HB2 CYS A 7 7.630 2.706 -8.705 1.00 0.00 H new ATOM 0 HB3 CYS A 7 6.426 3.057 -7.482 1.00 0.00 H new ATOM 130 N GLY A 8 6.405 -0.823 -9.194 1.00 0.00 N ATOM 131 CA GLY A 8 6.377 -1.459 -10.500 1.00 0.00 C ATOM 132 C GLY A 8 5.236 -2.449 -10.659 1.00 0.00 C ATOM 133 O GLY A 8 4.202 -2.117 -11.240 1.00 0.00 O ATOM 0 H GLY A 8 5.989 -1.368 -8.439 1.00 0.00 H new ATOM 0 HA2 GLY A 8 6.293 -0.691 -11.269 1.00 0.00 H new ATOM 0 HA3 GLY A 8 7.323 -1.975 -10.666 1.00 0.00 H new ATOM 137 N PRO A 9 5.398 -3.685 -10.156 1.00 0.00 N ATOM 138 CA PRO A 9 4.368 -4.726 -10.259 1.00 0.00 C ATOM 139 C PRO A 9 3.020 -4.270 -9.703 1.00 0.00 C ATOM 140 O PRO A 9 2.143 -3.847 -10.456 1.00 0.00 O ATOM 141 CB PRO A 9 4.936 -5.892 -9.435 1.00 0.00 C ATOM 142 CG PRO A 9 6.056 -5.308 -8.639 1.00 0.00 C ATOM 143 CD PRO A 9 6.594 -4.170 -9.455 1.00 0.00 C ATOM 0 HA PRO A 9 4.166 -4.992 -11.297 1.00 0.00 H new ATOM 0 HB2 PRO A 9 4.174 -6.321 -8.784 1.00 0.00 H new ATOM 0 HB3 PRO A 9 5.291 -6.694 -10.082 1.00 0.00 H new ATOM 0 HG2 PRO A 9 5.704 -4.960 -7.668 1.00 0.00 H new ATOM 0 HG3 PRO A 9 6.830 -6.052 -8.450 1.00 0.00 H new ATOM 0 HD2 PRO A 9 7.038 -3.397 -8.829 1.00 0.00 H new ATOM 0 HD3 PRO A 9 7.366 -4.499 -10.151 1.00 0.00 H new ATOM 151 N SER A 10 2.858 -4.353 -8.385 1.00 0.00 N ATOM 152 CA SER A 10 1.616 -3.943 -7.744 1.00 0.00 C ATOM 153 C SER A 10 1.885 -2.835 -6.728 1.00 0.00 C ATOM 154 O SER A 10 2.013 -3.083 -5.529 1.00 0.00 O ATOM 155 CB SER A 10 0.931 -5.149 -7.083 1.00 0.00 C ATOM 156 OG SER A 10 1.168 -5.193 -5.688 1.00 0.00 O ATOM 0 H SER A 10 3.571 -4.700 -7.743 1.00 0.00 H new ATOM 0 HA SER A 10 0.941 -3.548 -8.503 1.00 0.00 H new ATOM 0 HB2 SER A 10 -0.142 -5.103 -7.267 1.00 0.00 H new ATOM 0 HB3 SER A 10 1.294 -6.069 -7.542 1.00 0.00 H new ATOM 0 HG SER A 10 1.668 -4.395 -5.416 1.00 0.00 H new ATOM 162 N SER A 11 1.984 -1.607 -7.224 1.00 0.00 N ATOM 163 CA SER A 11 2.249 -0.460 -6.368 1.00 0.00 C ATOM 164 C SER A 11 1.391 0.735 -6.770 1.00 0.00 C ATOM 165 O SER A 11 0.720 0.715 -7.802 1.00 0.00 O ATOM 166 CB SER A 11 3.730 -0.083 -6.430 1.00 0.00 C ATOM 167 OG SER A 11 4.503 -0.905 -5.572 1.00 0.00 O ATOM 0 H SER A 11 1.885 -1.382 -8.214 1.00 0.00 H new ATOM 0 HA SER A 11 1.993 -0.737 -5.346 1.00 0.00 H new ATOM 0 HB2 SER A 11 4.091 -0.181 -7.454 1.00 0.00 H new ATOM 0 HB3 SER A 11 3.854 0.962 -6.147 1.00 0.00 H new ATOM 0 HG SER A 11 5.446 -0.645 -5.632 1.00 0.00 H new ATOM 173 N PHE A 12 1.419 1.771 -5.942 1.00 0.00 N ATOM 174 CA PHE A 12 0.648 2.981 -6.196 1.00 0.00 C ATOM 175 C PHE A 12 1.467 4.220 -5.849 1.00 0.00 C ATOM 176 O PHE A 12 1.916 4.376 -4.715 1.00 0.00 O ATOM 177 CB PHE A 12 -0.648 2.955 -5.379 1.00 0.00 C ATOM 178 CG PHE A 12 -1.357 4.279 -5.316 1.00 0.00 C ATOM 179 CD1 PHE A 12 -1.886 4.853 -6.460 1.00 0.00 C ATOM 180 CD2 PHE A 12 -1.494 4.946 -4.110 1.00 0.00 C ATOM 181 CE1 PHE A 12 -2.538 6.070 -6.402 1.00 0.00 C ATOM 182 CE2 PHE A 12 -2.145 6.162 -4.046 1.00 0.00 C ATOM 183 CZ PHE A 12 -2.668 6.725 -5.193 1.00 0.00 C ATOM 0 H PHE A 12 1.970 1.797 -5.084 1.00 0.00 H new ATOM 0 HA PHE A 12 0.398 3.021 -7.256 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -1.322 2.214 -5.809 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -0.420 2.628 -4.365 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -1.788 4.344 -7.408 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -1.087 4.510 -3.210 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -2.945 6.508 -7.301 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -2.245 6.672 -3.099 1.00 0.00 H new ATOM 0 HZ PHE A 12 -3.178 7.676 -5.145 1.00 0.00 H new ATOM 193 N SER A 13 1.658 5.100 -6.825 1.00 0.00 N ATOM 194 CA SER A 13 2.421 6.322 -6.604 1.00 0.00 C ATOM 195 C SER A 13 1.695 7.233 -5.620 1.00 0.00 C ATOM 196 O SER A 13 0.555 7.634 -5.854 1.00 0.00 O ATOM 197 CB SER A 13 2.654 7.053 -7.926 1.00 0.00 C ATOM 198 OG SER A 13 3.054 8.394 -7.705 1.00 0.00 O ATOM 0 H SER A 13 1.297 4.991 -7.773 1.00 0.00 H new ATOM 0 HA SER A 13 3.388 6.051 -6.180 1.00 0.00 H new ATOM 0 HB2 SER A 13 3.419 6.533 -8.503 1.00 0.00 H new ATOM 0 HB3 SER A 13 1.740 7.036 -8.520 1.00 0.00 H new ATOM 0 HG SER A 13 3.198 8.839 -8.566 1.00 0.00 H new ATOM 204 N CYS A 14 2.359 7.548 -4.514 1.00 0.00 N ATOM 205 CA CYS A 14 1.774 8.402 -3.487 1.00 0.00 C ATOM 206 C CYS A 14 1.416 9.779 -4.048 1.00 0.00 C ATOM 207 O CYS A 14 2.296 10.554 -4.424 1.00 0.00 O ATOM 208 CB CYS A 14 2.731 8.547 -2.303 1.00 0.00 C ATOM 209 SG CYS A 14 2.072 7.889 -0.739 1.00 0.00 S ATOM 0 H CYS A 14 3.304 7.225 -4.305 1.00 0.00 H new ATOM 0 HA CYS A 14 0.855 7.927 -3.143 1.00 0.00 H new ATOM 0 HB2 CYS A 14 3.664 8.034 -2.537 1.00 0.00 H new ATOM 0 HB3 CYS A 14 2.972 9.602 -2.170 1.00 0.00 H new ATOM 214 N PRO A 15 0.111 10.100 -4.110 1.00 0.00 N ATOM 215 CA PRO A 15 -0.369 11.387 -4.626 1.00 0.00 C ATOM 216 C PRO A 15 0.162 12.570 -3.826 1.00 0.00 C ATOM 217 O PRO A 15 0.227 12.524 -2.598 1.00 0.00 O ATOM 218 CB PRO A 15 -1.892 11.295 -4.481 1.00 0.00 C ATOM 219 CG PRO A 15 -2.184 9.840 -4.376 1.00 0.00 C ATOM 220 CD PRO A 15 -0.999 9.234 -3.684 1.00 0.00 C ATOM 0 HA PRO A 15 -0.034 11.556 -5.649 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -2.237 11.831 -3.597 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -2.397 11.738 -5.339 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -3.099 9.665 -3.810 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -2.329 9.398 -5.362 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -1.120 9.236 -2.601 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -0.842 8.198 -3.985 1.00 0.00 H new ATOM 228 N GLY A 16 0.539 13.631 -4.532 1.00 0.00 N ATOM 229 CA GLY A 16 1.059 14.815 -3.875 1.00 0.00 C ATOM 230 C GLY A 16 2.545 14.719 -3.587 1.00 0.00 C ATOM 231 O GLY A 16 3.284 15.683 -3.781 1.00 0.00 O ATOM 0 H GLY A 16 0.493 13.692 -5.549 1.00 0.00 H new ATOM 0 HA2 GLY A 16 0.870 15.686 -4.502 1.00 0.00 H new ATOM 0 HA3 GLY A 16 0.521 14.973 -2.940 1.00 0.00 H new ATOM 235 N THR A 17 2.984 13.553 -3.121 1.00 0.00 N ATOM 236 CA THR A 17 4.389 13.338 -2.805 1.00 0.00 C ATOM 237 C THR A 17 5.102 12.606 -3.935 1.00 0.00 C ATOM 238 O THR A 17 4.473 11.928 -4.748 1.00 0.00 O ATOM 239 CB THR A 17 4.520 12.543 -1.506 1.00 0.00 C ATOM 240 OG1 THR A 17 3.534 11.530 -1.436 1.00 0.00 O ATOM 241 CG2 THR A 17 4.383 13.398 -0.267 1.00 0.00 C ATOM 0 H THR A 17 2.386 12.744 -2.955 1.00 0.00 H new ATOM 0 HA THR A 17 4.859 14.313 -2.680 1.00 0.00 H new ATOM 0 HB THR A 17 5.523 12.118 -1.528 1.00 0.00 H new ATOM 0 HG1 THR A 17 3.636 11.032 -0.598 1.00 0.00 H new ATOM 0 HG21 THR A 17 4.486 12.773 0.620 1.00 0.00 H new ATOM 0 HG22 THR A 17 5.160 14.162 -0.264 1.00 0.00 H new ATOM 0 HG23 THR A 17 3.404 13.877 -0.262 1.00 0.00 H new ATOM 249 N HIS A 18 6.421 12.743 -3.970 1.00 0.00 N ATOM 250 CA HIS A 18 7.243 12.092 -4.985 1.00 0.00 C ATOM 251 C HIS A 18 7.656 10.702 -4.514 1.00 0.00 C ATOM 252 O HIS A 18 8.803 10.290 -4.688 1.00 0.00 O ATOM 253 CB HIS A 18 8.490 12.932 -5.254 1.00 0.00 C ATOM 254 CG HIS A 18 9.318 13.141 -4.026 1.00 0.00 C ATOM 255 ND1 HIS A 18 10.381 12.342 -3.672 1.00 0.00 N ATOM 256 CD2 HIS A 18 9.204 14.069 -3.043 1.00 0.00 C ATOM 257 CE1 HIS A 18 10.866 12.795 -2.508 1.00 0.00 C ATOM 258 NE2 HIS A 18 10.188 13.844 -2.085 1.00 0.00 N ATOM 0 H HIS A 18 6.949 13.304 -3.302 1.00 0.00 H new ATOM 0 HA HIS A 18 6.662 11.999 -5.903 1.00 0.00 H new ATOM 0 HB2 HIS A 18 9.095 12.443 -6.017 1.00 0.00 H new ATOM 0 HB3 HIS A 18 8.192 13.900 -5.656 1.00 0.00 H new ATOM 0 HD1 HIS A 18 10.737 11.546 -4.202 1.00 0.00 H new ATOM 0 HD2 HIS A 18 8.467 14.857 -3.009 1.00 0.00 H new ATOM 0 HE1 HIS A 18 11.703 12.358 -1.984 1.00 0.00 H new ATOM 266 N VAL A 19 6.719 9.993 -3.896 1.00 0.00 N ATOM 267 CA VAL A 19 6.988 8.662 -3.374 1.00 0.00 C ATOM 268 C VAL A 19 5.996 7.638 -3.915 1.00 0.00 C ATOM 269 O VAL A 19 4.904 7.987 -4.362 1.00 0.00 O ATOM 270 CB VAL A 19 6.923 8.665 -1.834 1.00 0.00 C ATOM 271 CG1 VAL A 19 5.578 9.194 -1.356 1.00 0.00 C ATOM 272 CG2 VAL A 19 7.192 7.273 -1.278 1.00 0.00 C ATOM 0 H VAL A 19 5.765 10.320 -3.745 1.00 0.00 H new ATOM 0 HA VAL A 19 7.990 8.382 -3.700 1.00 0.00 H new ATOM 0 HB VAL A 19 7.701 9.330 -1.459 1.00 0.00 H new ATOM 0 HG11 VAL A 19 5.551 9.188 -0.266 1.00 0.00 H new ATOM 0 HG12 VAL A 19 5.439 10.213 -1.717 1.00 0.00 H new ATOM 0 HG13 VAL A 19 4.780 8.560 -1.742 1.00 0.00 H new ATOM 0 HG21 VAL A 19 7.141 7.300 -0.190 1.00 0.00 H new ATOM 0 HG22 VAL A 19 6.444 6.578 -1.659 1.00 0.00 H new ATOM 0 HG23 VAL A 19 8.184 6.943 -1.587 1.00 0.00 H new ATOM 282 N CYS A 20 6.386 6.368 -3.860 1.00 0.00 N ATOM 283 CA CYS A 20 5.537 5.282 -4.331 1.00 0.00 C ATOM 284 C CYS A 20 5.165 4.359 -3.176 1.00 0.00 C ATOM 285 O CYS A 20 6.009 4.016 -2.349 1.00 0.00 O ATOM 286 CB CYS A 20 6.246 4.485 -5.430 1.00 0.00 C ATOM 287 SG CYS A 20 7.644 3.477 -4.838 1.00 0.00 S ATOM 0 H CYS A 20 7.288 6.066 -3.492 1.00 0.00 H new ATOM 0 HA CYS A 20 4.626 5.714 -4.744 1.00 0.00 H new ATOM 0 HB2 CYS A 20 5.521 3.831 -5.915 1.00 0.00 H new ATOM 0 HB3 CYS A 20 6.608 5.178 -6.190 1.00 0.00 H new ATOM 292 N VAL A 21 3.901 3.960 -3.124 1.00 0.00 N ATOM 293 CA VAL A 21 3.430 3.077 -2.067 1.00 0.00 C ATOM 294 C VAL A 21 2.799 1.808 -2.648 1.00 0.00 C ATOM 295 O VAL A 21 1.842 1.875 -3.418 1.00 0.00 O ATOM 296 CB VAL A 21 2.420 3.792 -1.147 1.00 0.00 C ATOM 297 CG1 VAL A 21 1.365 4.521 -1.963 1.00 0.00 C ATOM 298 CG2 VAL A 21 1.780 2.809 -0.179 1.00 0.00 C ATOM 0 H VAL A 21 3.186 4.233 -3.799 1.00 0.00 H new ATOM 0 HA VAL A 21 4.299 2.794 -1.472 1.00 0.00 H new ATOM 0 HB VAL A 21 2.962 4.535 -0.561 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.664 5.017 -1.292 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.846 5.264 -2.599 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.827 3.805 -2.584 1.00 0.00 H new ATOM 0 HG21 VAL A 21 1.071 3.336 0.460 1.00 0.00 H new ATOM 0 HG22 VAL A 21 1.257 2.035 -0.740 1.00 0.00 H new ATOM 0 HG23 VAL A 21 2.553 2.350 0.438 1.00 0.00 H new ATOM 308 N PRO A 22 3.341 0.632 -2.283 1.00 0.00 N ATOM 309 CA PRO A 22 2.848 -0.665 -2.765 1.00 0.00 C ATOM 310 C PRO A 22 1.338 -0.823 -2.639 1.00 0.00 C ATOM 311 O PRO A 22 0.696 -0.165 -1.820 1.00 0.00 O ATOM 312 CB PRO A 22 3.555 -1.665 -1.854 1.00 0.00 C ATOM 313 CG PRO A 22 4.819 -0.986 -1.469 1.00 0.00 C ATOM 314 CD PRO A 22 4.490 0.476 -1.373 1.00 0.00 C ATOM 0 HA PRO A 22 3.051 -0.796 -3.828 1.00 0.00 H new ATOM 0 HB2 PRO A 22 2.949 -1.903 -0.979 1.00 0.00 H new ATOM 0 HB3 PRO A 22 3.750 -2.604 -2.371 1.00 0.00 H new ATOM 0 HG2 PRO A 22 5.192 -1.365 -0.518 1.00 0.00 H new ATOM 0 HG3 PRO A 22 5.598 -1.163 -2.210 1.00 0.00 H new ATOM 0 HD2 PRO A 22 4.236 0.764 -0.353 1.00 0.00 H new ATOM 0 HD3 PRO A 22 5.331 1.097 -1.679 1.00 0.00 H new ATOM 322 N GLU A 23 0.780 -1.710 -3.459 1.00 0.00 N ATOM 323 CA GLU A 23 -0.653 -1.971 -3.451 1.00 0.00 C ATOM 324 C GLU A 23 -1.097 -2.590 -2.127 1.00 0.00 C ATOM 325 O GLU A 23 -2.184 -2.299 -1.637 1.00 0.00 O ATOM 326 CB GLU A 23 -1.033 -2.886 -4.616 1.00 0.00 C ATOM 327 CG GLU A 23 -2.207 -2.373 -5.433 1.00 0.00 C ATOM 328 CD GLU A 23 -1.964 -2.465 -6.927 1.00 0.00 C ATOM 329 OE1 GLU A 23 -1.785 -3.593 -7.431 1.00 0.00 O ATOM 330 OE2 GLU A 23 -1.953 -1.408 -7.593 1.00 0.00 O ATOM 0 H GLU A 23 1.303 -2.261 -4.139 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.168 -1.017 -3.566 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.170 -3.005 -5.271 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.276 -3.875 -4.227 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.099 -2.945 -5.178 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.406 -1.335 -5.164 1.00 0.00 H new ATOM 337 N ARG A 24 -0.259 -3.442 -1.544 1.00 0.00 N ATOM 338 CA ARG A 24 -0.604 -4.071 -0.275 1.00 0.00 C ATOM 339 C ARG A 24 -0.709 -3.019 0.821 1.00 0.00 C ATOM 340 O ARG A 24 -1.474 -3.173 1.774 1.00 0.00 O ATOM 341 CB ARG A 24 0.425 -5.152 0.101 1.00 0.00 C ATOM 342 CG ARG A 24 0.482 -5.479 1.590 1.00 0.00 C ATOM 343 CD ARG A 24 0.227 -6.951 1.844 1.00 0.00 C ATOM 344 NE ARG A 24 0.589 -7.341 3.205 1.00 0.00 N ATOM 345 CZ ARG A 24 0.036 -8.359 3.861 1.00 0.00 C ATOM 346 NH1 ARG A 24 -0.893 -9.108 3.281 1.00 0.00 N ATOM 347 NH2 ARG A 24 0.419 -8.633 5.100 1.00 0.00 N ATOM 0 H ARG A 24 0.649 -3.709 -1.923 1.00 0.00 H new ATOM 0 HA ARG A 24 -1.573 -4.558 -0.383 1.00 0.00 H new ATOM 0 HB2 ARG A 24 0.193 -6.064 -0.450 1.00 0.00 H new ATOM 0 HB3 ARG A 24 1.412 -4.825 -0.225 1.00 0.00 H new ATOM 0 HG2 ARG A 24 1.459 -5.204 1.987 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -0.258 -4.883 2.123 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -0.826 -7.172 1.671 1.00 0.00 H new ATOM 0 HD3 ARG A 24 0.798 -7.546 1.132 1.00 0.00 H new ATOM 0 HE ARG A 24 1.310 -6.800 3.682 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -1.188 -8.906 2.326 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -1.312 -9.886 3.790 1.00 0.00 H new ATOM 0 HH21 ARG A 24 1.136 -8.064 5.550 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -0.004 -9.413 5.604 1.00 0.00 H new ATOM 361 N TRP A 25 0.056 -1.947 0.679 1.00 0.00 N ATOM 362 CA TRP A 25 0.039 -0.876 1.659 1.00 0.00 C ATOM 363 C TRP A 25 -1.273 -0.103 1.573 1.00 0.00 C ATOM 364 O TRP A 25 -1.753 0.427 2.572 1.00 0.00 O ATOM 365 CB TRP A 25 1.238 0.054 1.448 1.00 0.00 C ATOM 366 CG TRP A 25 2.561 -0.645 1.598 1.00 0.00 C ATOM 367 CD1 TRP A 25 2.799 -1.987 1.484 1.00 0.00 C ATOM 368 CD2 TRP A 25 3.829 -0.040 1.890 1.00 0.00 C ATOM 369 NE1 TRP A 25 4.132 -2.250 1.680 1.00 0.00 N ATOM 370 CE2 TRP A 25 4.786 -1.074 1.930 1.00 0.00 C ATOM 371 CE3 TRP A 25 4.251 1.274 2.118 1.00 0.00 C ATOM 372 CZ2 TRP A 25 6.133 -0.835 2.187 1.00 0.00 C ATOM 373 CZ3 TRP A 25 5.590 1.509 2.373 1.00 0.00 C ATOM 374 CH2 TRP A 25 6.516 0.459 2.404 1.00 0.00 C ATOM 0 H TRP A 25 0.694 -1.797 -0.103 1.00 0.00 H new ATOM 0 HA TRP A 25 0.115 -1.308 2.657 1.00 0.00 H new ATOM 0 HB2 TRP A 25 1.178 0.495 0.453 1.00 0.00 H new ATOM 0 HB3 TRP A 25 1.184 0.874 2.164 1.00 0.00 H new ATOM 0 HD1 TRP A 25 2.047 -2.732 1.271 1.00 0.00 H new ATOM 0 HE1 TRP A 25 4.565 -3.173 1.645 1.00 0.00 H new ATOM 0 HE3 TRP A 25 3.544 2.090 2.095 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 6.849 -1.643 2.214 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 5.927 2.519 2.551 1.00 0.00 H new ATOM 0 HH2 TRP A 25 7.555 0.676 2.604 1.00 0.00 H new ATOM 385 N LEU A 26 -1.857 -0.061 0.373 1.00 0.00 N ATOM 386 CA LEU A 26 -3.123 0.636 0.149 1.00 0.00 C ATOM 387 C LEU A 26 -4.106 0.382 1.287 1.00 0.00 C ATOM 388 O LEU A 26 -4.392 1.274 2.085 1.00 0.00 O ATOM 389 CB LEU A 26 -3.736 0.203 -1.186 1.00 0.00 C ATOM 390 CG LEU A 26 -3.590 1.198 -2.346 1.00 0.00 C ATOM 391 CD1 LEU A 26 -2.260 1.935 -2.281 1.00 0.00 C ATOM 392 CD2 LEU A 26 -3.723 0.476 -3.676 1.00 0.00 C ATOM 0 H LEU A 26 -1.470 -0.504 -0.461 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.916 1.706 0.117 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.280 -0.741 -1.484 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.797 0.010 -1.030 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.388 1.936 -2.257 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.189 2.631 -3.116 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.195 2.486 -1.343 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.443 1.216 -2.337 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.618 1.192 -4.491 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.945 -0.283 -3.757 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.702 0.000 -3.735 1.00 0.00 H new ATOM 404 N CYS A 27 -4.615 -0.839 1.359 1.00 0.00 N ATOM 405 CA CYS A 27 -5.563 -1.208 2.402 1.00 0.00 C ATOM 406 C CYS A 27 -4.894 -2.067 3.472 1.00 0.00 C ATOM 407 O CYS A 27 -5.429 -3.101 3.875 1.00 0.00 O ATOM 408 CB CYS A 27 -6.750 -1.965 1.804 1.00 0.00 C ATOM 409 SG CYS A 27 -7.369 -1.288 0.230 1.00 0.00 S ATOM 0 H CYS A 27 -4.388 -1.591 0.709 1.00 0.00 H new ATOM 0 HA CYS A 27 -5.921 -0.289 2.866 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -6.460 -3.004 1.648 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -7.564 -1.967 2.528 1.00 0.00 H new ATOM 414 N ASP A 28 -3.724 -1.637 3.930 1.00 0.00 N ATOM 415 CA ASP A 28 -2.993 -2.373 4.953 1.00 0.00 C ATOM 416 C ASP A 28 -3.606 -2.144 6.334 1.00 0.00 C ATOM 417 O ASP A 28 -3.396 -2.934 7.254 1.00 0.00 O ATOM 418 CB ASP A 28 -1.518 -1.965 4.949 1.00 0.00 C ATOM 419 CG ASP A 28 -1.302 -0.535 5.408 1.00 0.00 C ATOM 420 OD1 ASP A 28 -2.302 0.197 5.563 1.00 0.00 O ATOM 421 OD2 ASP A 28 -0.132 -0.147 5.611 1.00 0.00 O ATOM 0 H ASP A 28 -3.263 -0.785 3.610 1.00 0.00 H new ATOM 0 HA ASP A 28 -3.063 -3.436 4.724 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -0.958 -2.638 5.598 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -1.116 -2.083 3.943 1.00 0.00 H new ATOM 426 N GLY A 29 -4.368 -1.062 6.470 1.00 0.00 N ATOM 427 CA GLY A 29 -5.002 -0.756 7.739 1.00 0.00 C ATOM 428 C GLY A 29 -4.476 0.520 8.372 1.00 0.00 C ATOM 429 O GLY A 29 -4.801 0.828 9.519 1.00 0.00 O ATOM 0 H GLY A 29 -4.557 -0.393 5.724 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -6.078 -0.664 7.589 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -4.846 -1.587 8.427 1.00 0.00 H new ATOM 433 N ASP A 30 -3.665 1.264 7.627 1.00 0.00 N ATOM 434 CA ASP A 30 -3.098 2.512 8.126 1.00 0.00 C ATOM 435 C ASP A 30 -2.713 3.427 6.969 1.00 0.00 C ATOM 436 O ASP A 30 -2.517 2.966 5.844 1.00 0.00 O ATOM 437 CB ASP A 30 -1.871 2.230 8.995 1.00 0.00 C ATOM 438 CG ASP A 30 -2.182 1.295 10.148 1.00 0.00 C ATOM 439 OD1 ASP A 30 -2.074 0.065 9.961 1.00 0.00 O ATOM 440 OD2 ASP A 30 -2.533 1.793 11.238 1.00 0.00 O ATOM 0 H ASP A 30 -3.386 1.025 6.676 1.00 0.00 H new ATOM 0 HA ASP A 30 -3.854 3.011 8.731 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.085 1.794 8.379 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -1.483 3.170 9.387 1.00 0.00 H new ATOM 445 N LYS A 31 -2.606 4.724 7.244 1.00 0.00 N ATOM 446 CA LYS A 31 -2.245 5.683 6.209 1.00 0.00 C ATOM 447 C LYS A 31 -0.741 5.908 6.167 1.00 0.00 C ATOM 448 O LYS A 31 -0.152 6.438 7.109 1.00 0.00 O ATOM 449 CB LYS A 31 -2.974 7.012 6.411 1.00 0.00 C ATOM 450 CG LYS A 31 -4.477 6.909 6.213 1.00 0.00 C ATOM 451 CD LYS A 31 -5.188 8.163 6.690 1.00 0.00 C ATOM 452 CE LYS A 31 -6.503 8.371 5.957 1.00 0.00 C ATOM 453 NZ LYS A 31 -7.590 8.807 6.877 1.00 0.00 N ATOM 0 H LYS A 31 -2.763 5.131 8.166 1.00 0.00 H new ATOM 0 HA LYS A 31 -2.555 5.262 5.252 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -2.771 7.380 7.417 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.572 7.748 5.715 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -4.696 6.744 5.158 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -4.858 6.044 6.756 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -5.375 8.091 7.761 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -4.544 9.029 6.536 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -6.368 9.118 5.175 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -6.795 7.443 5.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -8.470 8.938 6.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -7.737 8.083 7.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -7.324 9.706 7.328 1.00 0.00 H new ATOM 467 N ASP A 32 -0.126 5.504 5.061 1.00 0.00 N ATOM 468 CA ASP A 32 1.314 5.665 4.886 1.00 0.00 C ATOM 469 C ASP A 32 1.617 6.945 4.122 1.00 0.00 C ATOM 470 O ASP A 32 2.585 7.646 4.416 1.00 0.00 O ATOM 471 CB ASP A 32 1.907 4.460 4.154 1.00 0.00 C ATOM 472 CG ASP A 32 1.523 4.415 2.689 1.00 0.00 C ATOM 473 OD1 ASP A 32 0.346 4.127 2.397 1.00 0.00 O ATOM 474 OD2 ASP A 32 2.399 4.670 1.836 1.00 0.00 O ATOM 0 H ASP A 32 -0.601 5.063 4.273 1.00 0.00 H new ATOM 0 HA ASP A 32 1.772 5.730 5.873 1.00 0.00 H new ATOM 0 HB2 ASP A 32 2.993 4.487 4.239 1.00 0.00 H new ATOM 0 HB3 ASP A 32 1.572 3.544 4.641 1.00 0.00 H new ATOM 479 N CYS A 33 0.775 7.245 3.140 1.00 0.00 N ATOM 480 CA CYS A 33 0.943 8.444 2.332 1.00 0.00 C ATOM 481 C CYS A 33 0.886 9.690 3.208 1.00 0.00 C ATOM 482 O CYS A 33 0.970 9.604 4.433 1.00 0.00 O ATOM 483 CB CYS A 33 -0.140 8.510 1.252 1.00 0.00 C ATOM 484 SG CYS A 33 0.461 9.069 -0.375 1.00 0.00 S ATOM 0 H CYS A 33 -0.031 6.674 2.885 1.00 0.00 H new ATOM 0 HA CYS A 33 1.920 8.402 1.850 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -0.588 7.522 1.142 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -0.930 9.183 1.586 1.00 0.00 H new ATOM 489 N ALA A 34 0.740 10.846 2.574 1.00 0.00 N ATOM 490 CA ALA A 34 0.670 12.107 3.297 1.00 0.00 C ATOM 491 C ALA A 34 -0.740 12.359 3.819 1.00 0.00 C ATOM 492 O ALA A 34 -0.924 12.861 4.928 1.00 0.00 O ATOM 493 CB ALA A 34 1.116 13.248 2.399 1.00 0.00 C ATOM 0 H ALA A 34 0.668 10.936 1.561 1.00 0.00 H new ATOM 0 HA ALA A 34 1.341 12.050 4.154 1.00 0.00 H new ATOM 0 HB1 ALA A 34 1.060 14.187 2.949 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.143 13.077 2.076 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.465 13.300 1.526 1.00 0.00 H new ATOM 499 N ASP A 35 -1.732 12.008 3.008 1.00 0.00 N ATOM 500 CA ASP A 35 -3.130 12.196 3.383 1.00 0.00 C ATOM 501 C ASP A 35 -3.913 10.895 3.242 1.00 0.00 C ATOM 502 O ASP A 35 -5.072 10.900 2.824 1.00 0.00 O ATOM 503 CB ASP A 35 -3.769 13.286 2.520 1.00 0.00 C ATOM 504 CG ASP A 35 -4.698 14.181 3.315 1.00 0.00 C ATOM 505 OD1 ASP A 35 -4.499 14.303 4.542 1.00 0.00 O ATOM 506 OD2 ASP A 35 -5.626 14.760 2.711 1.00 0.00 O ATOM 0 H ASP A 35 -1.595 11.592 2.087 1.00 0.00 H new ATOM 0 HA ASP A 35 -3.161 12.504 4.428 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -2.985 13.892 2.066 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -4.325 12.822 1.706 1.00 0.00 H new ATOM 511 N GLY A 36 -3.277 9.782 3.590 1.00 0.00 N ATOM 512 CA GLY A 36 -3.934 8.493 3.492 1.00 0.00 C ATOM 513 C GLY A 36 -4.402 8.184 2.081 1.00 0.00 C ATOM 514 O GLY A 36 -5.399 7.487 1.888 1.00 0.00 O ATOM 0 H GLY A 36 -2.319 9.750 3.938 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -3.248 7.713 3.823 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -4.789 8.473 4.168 1.00 0.00 H new ATOM 518 N ALA A 37 -3.678 8.700 1.092 1.00 0.00 N ATOM 519 CA ALA A 37 -4.020 8.475 -0.308 1.00 0.00 C ATOM 520 C ALA A 37 -3.926 6.997 -0.667 1.00 0.00 C ATOM 521 O ALA A 37 -4.742 6.476 -1.428 1.00 0.00 O ATOM 522 CB ALA A 37 -3.106 9.290 -1.207 1.00 0.00 C ATOM 0 H ALA A 37 -2.850 9.278 1.235 1.00 0.00 H new ATOM 0 HA ALA A 37 -5.051 8.795 -0.460 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -3.370 9.114 -2.250 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -3.220 10.349 -0.977 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -2.071 8.992 -1.040 1.00 0.00 H new ATOM 528 N ASP A 38 -2.926 6.328 -0.107 1.00 0.00 N ATOM 529 CA ASP A 38 -2.712 4.909 -0.354 1.00 0.00 C ATOM 530 C ASP A 38 -3.924 4.104 0.110 1.00 0.00 C ATOM 531 O ASP A 38 -4.241 3.056 -0.445 1.00 0.00 O ATOM 532 CB ASP A 38 -1.434 4.463 0.372 1.00 0.00 C ATOM 533 CG ASP A 38 -1.384 2.987 0.700 1.00 0.00 C ATOM 534 OD1 ASP A 38 -1.919 2.599 1.757 1.00 0.00 O ATOM 535 OD2 ASP A 38 -0.801 2.220 -0.091 1.00 0.00 O ATOM 0 H ASP A 38 -2.246 6.750 0.526 1.00 0.00 H new ATOM 0 HA ASP A 38 -2.589 4.732 -1.422 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -0.573 4.715 -0.247 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -1.339 5.032 1.297 1.00 0.00 H new ATOM 540 N GLU A 39 -4.601 4.616 1.127 1.00 0.00 N ATOM 541 CA GLU A 39 -5.779 3.959 1.676 1.00 0.00 C ATOM 542 C GLU A 39 -7.038 4.451 0.975 1.00 0.00 C ATOM 543 O GLU A 39 -8.025 3.725 0.861 1.00 0.00 O ATOM 544 CB GLU A 39 -5.880 4.222 3.180 1.00 0.00 C ATOM 545 CG GLU A 39 -4.606 3.901 3.953 1.00 0.00 C ATOM 546 CD GLU A 39 -3.393 4.655 3.450 1.00 0.00 C ATOM 547 OE1 GLU A 39 -3.551 5.811 3.015 1.00 0.00 O ATOM 548 OE2 GLU A 39 -2.281 4.092 3.501 1.00 0.00 O ATOM 0 H GLU A 39 -4.353 5.490 1.591 1.00 0.00 H new ATOM 0 HA GLU A 39 -5.684 2.886 1.511 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -6.135 5.270 3.339 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -6.699 3.630 3.588 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -4.760 4.136 5.006 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -4.411 2.830 3.890 1.00 0.00 H new ATOM 555 N SER A 40 -6.989 5.690 0.501 1.00 0.00 N ATOM 556 CA SER A 40 -8.118 6.286 -0.197 1.00 0.00 C ATOM 557 C SER A 40 -8.384 5.555 -1.504 1.00 0.00 C ATOM 558 O SER A 40 -7.524 4.836 -2.012 1.00 0.00 O ATOM 559 CB SER A 40 -7.855 7.768 -0.471 1.00 0.00 C ATOM 560 OG SER A 40 -8.391 8.580 0.559 1.00 0.00 O ATOM 0 H SER A 40 -6.177 6.301 0.588 1.00 0.00 H new ATOM 0 HA SER A 40 -8.998 6.197 0.439 1.00 0.00 H new ATOM 0 HB2 SER A 40 -6.782 7.941 -0.553 1.00 0.00 H new ATOM 0 HB3 SER A 40 -8.297 8.048 -1.427 1.00 0.00 H new ATOM 0 HG SER A 40 -8.209 9.522 0.361 1.00 0.00 H new ATOM 566 N ILE A 41 -9.577 5.747 -2.046 1.00 0.00 N ATOM 567 CA ILE A 41 -9.956 5.109 -3.294 1.00 0.00 C ATOM 568 C ILE A 41 -9.048 5.563 -4.430 1.00 0.00 C ATOM 569 O ILE A 41 -8.854 4.843 -5.410 1.00 0.00 O ATOM 570 CB ILE A 41 -11.421 5.410 -3.648 1.00 0.00 C ATOM 571 CG1 ILE A 41 -11.887 4.493 -4.775 1.00 0.00 C ATOM 572 CG2 ILE A 41 -11.595 6.872 -4.031 1.00 0.00 C ATOM 573 CD1 ILE A 41 -12.427 3.167 -4.287 1.00 0.00 C ATOM 0 H ILE A 41 -10.299 6.341 -1.639 1.00 0.00 H new ATOM 0 HA ILE A 41 -9.845 4.033 -3.160 1.00 0.00 H new ATOM 0 HB ILE A 41 -12.038 5.220 -2.769 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -12.660 5.002 -5.351 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -11.053 4.310 -5.453 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -12.640 7.062 -4.277 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -11.299 7.505 -3.195 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -10.971 7.098 -4.896 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -12.740 2.565 -5.140 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -11.649 2.638 -3.736 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -13.281 3.341 -3.633 1.00 0.00 H new ATOM 585 N ALA A 42 -8.482 6.759 -4.285 1.00 0.00 N ATOM 586 CA ALA A 42 -7.579 7.308 -5.289 1.00 0.00 C ATOM 587 C ALA A 42 -6.507 6.291 -5.665 1.00 0.00 C ATOM 588 O ALA A 42 -5.988 6.297 -6.781 1.00 0.00 O ATOM 589 CB ALA A 42 -6.936 8.584 -4.768 1.00 0.00 C ATOM 0 H ALA A 42 -8.634 7.366 -3.480 1.00 0.00 H new ATOM 0 HA ALA A 42 -8.156 7.541 -6.184 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.263 8.987 -5.525 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -7.711 9.317 -4.544 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -6.372 8.364 -3.861 1.00 0.00 H new ATOM 595 N ALA A 43 -6.187 5.416 -4.717 1.00 0.00 N ATOM 596 CA ALA A 43 -5.185 4.382 -4.928 1.00 0.00 C ATOM 597 C ALA A 43 -5.828 3.092 -5.422 1.00 0.00 C ATOM 598 O ALA A 43 -5.186 2.280 -6.087 1.00 0.00 O ATOM 599 CB ALA A 43 -4.425 4.131 -3.636 1.00 0.00 C ATOM 0 H ALA A 43 -6.612 5.405 -3.790 1.00 0.00 H new ATOM 0 HA ALA A 43 -4.489 4.726 -5.693 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.676 3.356 -3.799 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -3.933 5.050 -3.319 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -5.120 3.806 -2.862 1.00 0.00 H new ATOM 605 N GLY A 44 -7.099 2.910 -5.084 1.00 0.00 N ATOM 606 CA GLY A 44 -7.813 1.717 -5.491 1.00 0.00 C ATOM 607 C GLY A 44 -8.081 0.790 -4.324 1.00 0.00 C ATOM 608 O GLY A 44 -8.021 -0.431 -4.465 1.00 0.00 O ATOM 0 H GLY A 44 -7.648 3.570 -4.534 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -8.759 2.000 -5.953 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -7.234 1.188 -6.248 1.00 0.00 H new ATOM 612 N CYS A 45 -8.374 1.374 -3.166 1.00 0.00 N ATOM 613 CA CYS A 45 -8.648 0.591 -1.967 1.00 0.00 C ATOM 614 C CYS A 45 -10.087 0.070 -1.962 1.00 0.00 C ATOM 615 O CYS A 45 -10.489 -0.654 -1.052 1.00 0.00 O ATOM 616 CB CYS A 45 -8.385 1.427 -0.709 1.00 0.00 C ATOM 617 SG CYS A 45 -7.139 0.720 0.423 1.00 0.00 S ATOM 0 H CYS A 45 -8.428 2.384 -3.033 1.00 0.00 H new ATOM 0 HA CYS A 45 -7.976 -0.267 -1.969 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -8.060 2.422 -1.011 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -9.323 1.549 -0.167 1.00 0.00 H new ATOM 622 N LEU A 46 -10.857 0.437 -2.986 1.00 0.00 N ATOM 623 CA LEU A 46 -12.246 0.001 -3.103 1.00 0.00 C ATOM 624 C LEU A 46 -13.118 0.609 -2.008 1.00 0.00 C ATOM 625 O LEU A 46 -14.180 0.076 -1.688 1.00 0.00 O ATOM 626 CB LEU A 46 -12.339 -1.528 -3.046 1.00 0.00 C ATOM 627 CG LEU A 46 -11.334 -2.293 -3.918 1.00 0.00 C ATOM 628 CD1 LEU A 46 -10.949 -1.488 -5.151 1.00 0.00 C ATOM 629 CD2 LEU A 46 -10.098 -2.659 -3.109 1.00 0.00 C ATOM 0 H LEU A 46 -10.540 1.037 -3.748 1.00 0.00 H new ATOM 0 HA LEU A 46 -12.615 0.348 -4.068 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -12.206 -1.843 -2.011 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -13.346 -1.823 -3.342 1.00 0.00 H new ATOM 0 HG LEU A 46 -11.813 -3.212 -4.256 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -10.236 -2.056 -5.749 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -11.840 -1.284 -5.745 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -10.495 -0.546 -4.843 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -9.396 -3.201 -3.743 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -9.624 -1.750 -2.737 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -10.387 -3.288 -2.267 1.00 0.00 H new ATOM 641 N TYR A 47 -12.671 1.724 -1.437 1.00 0.00 N ATOM 642 CA TYR A 47 -13.427 2.389 -0.379 1.00 0.00 C ATOM 643 C TYR A 47 -12.707 3.639 0.117 1.00 0.00 C ATOM 644 O TYR A 47 -11.478 3.702 0.115 1.00 0.00 O ATOM 645 CB TYR A 47 -13.651 1.432 0.792 1.00 0.00 C ATOM 646 CG TYR A 47 -12.364 0.955 1.424 1.00 0.00 C ATOM 647 CD1 TYR A 47 -11.590 1.813 2.195 1.00 0.00 C ATOM 648 CD2 TYR A 47 -11.919 -0.349 1.244 1.00 0.00 C ATOM 649 CE1 TYR A 47 -10.409 1.386 2.768 1.00 0.00 C ATOM 650 CE2 TYR A 47 -10.738 -0.784 1.816 1.00 0.00 C ATOM 651 CZ TYR A 47 -9.987 0.088 2.577 1.00 0.00 C ATOM 652 OH TYR A 47 -8.811 -0.337 3.149 1.00 0.00 O ATOM 0 H TYR A 47 -11.795 2.184 -1.687 1.00 0.00 H new ATOM 0 HA TYR A 47 -14.388 2.688 -0.797 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -14.258 1.930 1.549 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -14.219 0.569 0.444 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -11.918 2.831 2.349 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -12.505 -1.033 0.648 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -9.818 2.066 3.363 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -10.405 -1.801 1.668 1.00 0.00 H new ATOM 0 HH TYR A 47 -8.996 -1.073 3.769 1.00 0.00 H new ATOM 662 N ASN A 48 -13.487 4.627 0.553 1.00 0.00 N ATOM 663 CA ASN A 48 -12.942 5.881 1.070 1.00 0.00 C ATOM 664 C ASN A 48 -14.054 6.912 1.254 1.00 0.00 C ATOM 665 O ASN A 48 -14.532 7.504 0.286 1.00 0.00 O ATOM 666 CB ASN A 48 -11.859 6.435 0.136 1.00 0.00 C ATOM 667 CG ASN A 48 -11.438 7.849 0.494 1.00 0.00 C ATOM 668 OD1 ASN A 48 -11.406 8.734 -0.361 1.00 0.00 O ATOM 669 ND2 ASN A 48 -11.113 8.066 1.763 1.00 0.00 N ATOM 0 H ASN A 48 -14.506 4.582 0.558 1.00 0.00 H new ATOM 0 HA ASN A 48 -12.488 5.676 2.039 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -10.987 5.782 0.171 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -12.228 6.420 -0.890 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -10.822 8.996 2.063 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -11.154 7.302 2.438 1.00 0.00 H new ATOM 744 N SER A 56 -14.421 -3.875 2.055 1.00 0.00 N ATOM 745 CA SER A 56 -14.822 -3.873 0.653 1.00 0.00 C ATOM 746 C SER A 56 -15.141 -5.287 0.175 1.00 0.00 C ATOM 747 O SER A 56 -15.936 -5.476 -0.746 1.00 0.00 O ATOM 748 CB SER A 56 -13.719 -3.262 -0.214 1.00 0.00 C ATOM 749 OG SER A 56 -12.461 -3.338 0.433 1.00 0.00 O ATOM 0 HA SER A 56 -15.723 -3.267 0.559 1.00 0.00 H new ATOM 0 HB2 SER A 56 -13.672 -3.784 -1.170 1.00 0.00 H new ATOM 0 HB3 SER A 56 -13.958 -2.221 -0.431 1.00 0.00 H new ATOM 0 HG SER A 56 -12.590 -3.596 1.370 1.00 0.00 H new ATOM 755 N GLY A 57 -14.518 -6.277 0.808 1.00 0.00 N ATOM 756 CA GLY A 57 -14.752 -7.660 0.433 1.00 0.00 C ATOM 757 C GLY A 57 -13.471 -8.396 0.095 1.00 0.00 C ATOM 758 O GLY A 57 -12.375 -7.899 0.353 1.00 0.00 O ATOM 0 H GLY A 57 -13.856 -6.146 1.573 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -15.257 -8.174 1.251 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -15.422 -7.691 -0.426 1.00 0.00 H new ATOM 762 N SER A 129 -13.609 -9.585 -0.487 1.00 0.00 N ATOM 763 CA SER A 129 -12.453 -10.391 -0.864 1.00 0.00 C ATOM 764 C SER A 129 -11.490 -9.585 -1.729 1.00 0.00 C ATOM 765 O SER A 129 -10.280 -9.809 -1.705 1.00 0.00 O ATOM 766 CB SER A 129 -12.902 -11.646 -1.615 1.00 0.00 C ATOM 767 OG SER A 129 -13.346 -12.647 -0.715 1.00 0.00 O ATOM 0 H SER A 129 -14.510 -10.010 -0.707 1.00 0.00 H new ATOM 0 HA SER A 129 -11.935 -10.688 0.048 1.00 0.00 H new ATOM 0 HB2 SER A 129 -13.705 -11.392 -2.307 1.00 0.00 H new ATOM 0 HB3 SER A 129 -12.076 -12.031 -2.213 1.00 0.00 H new ATOM 0 HG SER A 129 -13.629 -13.438 -1.219 1.00 0.00 H new ATOM 773 N THR A 130 -12.037 -8.642 -2.489 1.00 0.00 N ATOM 774 CA THR A 130 -11.227 -7.798 -3.357 1.00 0.00 C ATOM 775 C THR A 130 -10.212 -7.004 -2.543 1.00 0.00 C ATOM 776 O THR A 130 -9.115 -6.709 -3.016 1.00 0.00 O ATOM 777 CB THR A 130 -12.117 -6.846 -4.154 1.00 0.00 C ATOM 778 OG1 THR A 130 -13.407 -7.402 -4.341 1.00 0.00 O ATOM 779 CG2 THR A 130 -11.557 -6.515 -5.519 1.00 0.00 C ATOM 0 H THR A 130 -13.037 -8.444 -2.521 1.00 0.00 H new ATOM 0 HA THR A 130 -10.687 -8.442 -4.051 1.00 0.00 H new ATOM 0 HB THR A 130 -12.166 -5.930 -3.564 1.00 0.00 H new ATOM 0 HG1 THR A 130 -13.962 -6.776 -4.852 1.00 0.00 H new ATOM 0 HG21 THR A 130 -12.235 -5.835 -6.035 1.00 0.00 H new ATOM 0 HG22 THR A 130 -10.582 -6.040 -5.407 1.00 0.00 H new ATOM 0 HG23 THR A 130 -11.450 -7.431 -6.100 1.00 0.00 H new ATOM 787 N GLU A 131 -10.587 -6.664 -1.314 1.00 0.00 N ATOM 788 CA GLU A 131 -9.711 -5.907 -0.429 1.00 0.00 C ATOM 789 C GLU A 131 -8.436 -6.689 -0.134 1.00 0.00 C ATOM 790 O GLU A 131 -7.358 -6.112 0.002 1.00 0.00 O ATOM 791 CB GLU A 131 -10.435 -5.577 0.878 1.00 0.00 C ATOM 792 CG GLU A 131 -9.809 -4.427 1.647 1.00 0.00 C ATOM 793 CD GLU A 131 -8.803 -4.897 2.680 1.00 0.00 C ATOM 794 OE1 GLU A 131 -8.890 -6.068 3.103 1.00 0.00 O ATOM 795 OE2 GLU A 131 -7.927 -4.094 3.065 1.00 0.00 O ATOM 0 H GLU A 131 -11.492 -6.901 -0.909 1.00 0.00 H new ATOM 0 HA GLU A 131 -9.440 -4.978 -0.930 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -11.474 -5.332 0.656 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -10.445 -6.464 1.512 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -9.317 -3.751 0.947 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -10.594 -3.856 2.143 1.00 0.00 H new ATOM 802 N GLU A 132 -8.567 -8.008 -0.037 1.00 0.00 N ATOM 803 CA GLU A 132 -7.426 -8.873 0.240 1.00 0.00 C ATOM 804 C GLU A 132 -6.786 -9.361 -1.055 1.00 0.00 C ATOM 805 O GLU A 132 -5.589 -9.625 -1.106 1.00 0.00 O ATOM 806 CB GLU A 132 -7.852 -10.075 1.090 1.00 0.00 C ATOM 807 CG GLU A 132 -9.010 -9.785 2.033 1.00 0.00 C ATOM 808 CD GLU A 132 -9.128 -10.810 3.144 1.00 0.00 C ATOM 809 OE1 GLU A 132 -8.471 -10.629 4.191 1.00 0.00 O ATOM 810 OE2 GLU A 132 -9.878 -11.793 2.967 1.00 0.00 O ATOM 0 H GLU A 132 -9.453 -8.502 -0.146 1.00 0.00 H new ATOM 0 HA GLU A 132 -6.693 -8.288 0.795 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -8.132 -10.894 0.428 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -6.997 -10.415 1.674 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -8.879 -8.795 2.470 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -9.940 -9.762 1.464 1.00 0.00 H new ATOM 817 N LEU A 133 -7.593 -9.486 -2.098 1.00 0.00 N ATOM 818 CA LEU A 133 -7.105 -9.951 -3.391 1.00 0.00 C ATOM 819 C LEU A 133 -6.001 -9.042 -3.930 1.00 0.00 C ATOM 820 O LEU A 133 -5.108 -9.494 -4.647 1.00 0.00 O ATOM 821 CB LEU A 133 -8.262 -10.015 -4.390 1.00 0.00 C ATOM 822 CG LEU A 133 -8.779 -11.419 -4.712 1.00 0.00 C ATOM 823 CD1 LEU A 133 -8.972 -12.228 -3.437 1.00 0.00 C ATOM 824 CD2 LEU A 133 -10.082 -11.336 -5.498 1.00 0.00 C ATOM 0 H LEU A 133 -8.590 -9.272 -2.076 1.00 0.00 H new ATOM 0 HA LEU A 133 -6.684 -10.947 -3.255 1.00 0.00 H new ATOM 0 HB2 LEU A 133 -9.090 -9.423 -3.999 1.00 0.00 H new ATOM 0 HB3 LEU A 133 -7.943 -9.542 -5.319 1.00 0.00 H new ATOM 0 HG LEU A 133 -8.036 -11.927 -5.326 1.00 0.00 H new ATOM 0 HD11 LEU A 133 -9.340 -13.223 -3.689 1.00 0.00 H new ATOM 0 HD12 LEU A 133 -8.020 -12.315 -2.914 1.00 0.00 H new ATOM 0 HD13 LEU A 133 -9.695 -11.726 -2.794 1.00 0.00 H new ATOM 0 HD21 LEU A 133 -10.438 -12.342 -5.720 1.00 0.00 H new ATOM 0 HD22 LEU A 133 -10.831 -10.809 -4.907 1.00 0.00 H new ATOM 0 HD23 LEU A 133 -9.911 -10.798 -6.430 1.00 0.00 H new ATOM 836 N ARG A 134 -6.075 -7.759 -3.593 1.00 0.00 N ATOM 837 CA ARG A 134 -5.088 -6.788 -4.057 1.00 0.00 C ATOM 838 C ARG A 134 -3.958 -6.609 -3.047 1.00 0.00 C ATOM 839 O ARG A 134 -2.831 -6.279 -3.416 1.00 0.00 O ATOM 840 CB ARG A 134 -5.762 -5.440 -4.323 1.00 0.00 C ATOM 841 CG ARG A 134 -6.260 -4.749 -3.062 1.00 0.00 C ATOM 842 CD ARG A 134 -6.916 -3.413 -3.378 1.00 0.00 C ATOM 843 NE ARG A 134 -6.072 -2.573 -4.226 1.00 0.00 N ATOM 844 CZ ARG A 134 -6.105 -2.587 -5.558 1.00 0.00 C ATOM 845 NH1 ARG A 134 -6.932 -3.400 -6.204 1.00 0.00 N ATOM 846 NH2 ARG A 134 -5.305 -1.784 -6.246 1.00 0.00 N ATOM 0 H ARG A 134 -6.807 -7.367 -3.001 1.00 0.00 H new ATOM 0 HA ARG A 134 -4.656 -7.170 -4.982 1.00 0.00 H new ATOM 0 HB2 ARG A 134 -5.056 -4.784 -4.832 1.00 0.00 H new ATOM 0 HB3 ARG A 134 -6.602 -5.591 -5.001 1.00 0.00 H new ATOM 0 HG2 ARG A 134 -6.975 -5.394 -2.551 1.00 0.00 H new ATOM 0 HG3 ARG A 134 -5.426 -4.593 -2.378 1.00 0.00 H new ATOM 0 HD2 ARG A 134 -7.870 -3.587 -3.876 1.00 0.00 H new ATOM 0 HD3 ARG A 134 -7.133 -2.887 -2.448 1.00 0.00 H new ATOM 0 HE ARG A 134 -5.418 -1.937 -3.770 1.00 0.00 H new ATOM 0 HH11 ARG A 134 -7.549 -4.021 -5.681 1.00 0.00 H new ATOM 0 HH12 ARG A 134 -6.950 -3.404 -7.224 1.00 0.00 H new ATOM 0 HH21 ARG A 134 -4.667 -1.158 -5.756 1.00 0.00 H new ATOM 0 HH22 ARG A 134 -5.328 -1.793 -7.266 1.00 0.00 H new ATOM 860 N VAL A 135 -4.269 -6.811 -1.772 1.00 0.00 N ATOM 861 CA VAL A 135 -3.280 -6.653 -0.712 1.00 0.00 C ATOM 862 C VAL A 135 -2.566 -7.967 -0.403 1.00 0.00 C ATOM 863 O VAL A 135 -1.340 -8.011 -0.307 1.00 0.00 O ATOM 864 CB VAL A 135 -3.936 -6.111 0.574 1.00 0.00 C ATOM 865 CG1 VAL A 135 -2.894 -5.848 1.650 1.00 0.00 C ATOM 866 CG2 VAL A 135 -4.723 -4.847 0.270 1.00 0.00 C ATOM 0 H VAL A 135 -5.197 -7.084 -1.447 1.00 0.00 H new ATOM 0 HA VAL A 135 -2.542 -5.936 -1.071 1.00 0.00 H new ATOM 0 HB VAL A 135 -4.623 -6.868 0.952 1.00 0.00 H new ATOM 0 HG11 VAL A 135 -3.384 -5.466 2.546 1.00 0.00 H new ATOM 0 HG12 VAL A 135 -2.375 -6.776 1.888 1.00 0.00 H new ATOM 0 HG13 VAL A 135 -2.175 -5.112 1.289 1.00 0.00 H new ATOM 0 HG21 VAL A 135 -5.181 -4.474 1.186 1.00 0.00 H new ATOM 0 HG22 VAL A 135 -4.052 -4.089 -0.134 1.00 0.00 H new ATOM 0 HG23 VAL A 135 -5.501 -5.070 -0.460 1.00 0.00 H new ATOM 876 N ARG A 136 -3.342 -9.031 -0.246 1.00 0.00 N ATOM 877 CA ARG A 136 -2.798 -10.352 0.056 1.00 0.00 C ATOM 878 C ARG A 136 -1.709 -10.753 -0.935 1.00 0.00 C ATOM 879 O ARG A 136 -0.668 -11.282 -0.545 1.00 0.00 O ATOM 880 CB ARG A 136 -3.921 -11.389 0.041 1.00 0.00 C ATOM 881 CG ARG A 136 -3.480 -12.781 0.458 1.00 0.00 C ATOM 882 CD ARG A 136 -4.446 -13.842 -0.043 1.00 0.00 C ATOM 883 NE ARG A 136 -3.851 -15.177 -0.030 1.00 0.00 N ATOM 884 CZ ARG A 136 -2.879 -15.563 -0.853 1.00 0.00 C ATOM 885 NH1 ARG A 136 -2.386 -14.720 -1.751 1.00 0.00 N ATOM 886 NH2 ARG A 136 -2.399 -16.797 -0.777 1.00 0.00 N ATOM 0 H ARG A 136 -4.359 -9.006 -0.323 1.00 0.00 H new ATOM 0 HA ARG A 136 -2.347 -10.310 1.048 1.00 0.00 H new ATOM 0 HB2 ARG A 136 -4.718 -11.057 0.706 1.00 0.00 H new ATOM 0 HB3 ARG A 136 -4.343 -11.438 -0.963 1.00 0.00 H new ATOM 0 HG2 ARG A 136 -2.483 -12.981 0.066 1.00 0.00 H new ATOM 0 HG3 ARG A 136 -3.412 -12.833 1.545 1.00 0.00 H new ATOM 0 HD2 ARG A 136 -5.342 -13.839 0.578 1.00 0.00 H new ATOM 0 HD3 ARG A 136 -4.761 -13.596 -1.057 1.00 0.00 H new ATOM 0 HE ARG A 136 -4.201 -15.852 0.650 1.00 0.00 H new ATOM 0 HH11 ARG A 136 -2.752 -13.770 -1.813 1.00 0.00 H new ATOM 0 HH12 ARG A 136 -1.641 -15.022 -2.379 1.00 0.00 H new ATOM 0 HH21 ARG A 136 -2.775 -17.449 -0.088 1.00 0.00 H new ATOM 0 HH22 ARG A 136 -1.654 -17.094 -1.407 1.00 0.00 H new ATOM 900 N LEU A 137 -1.956 -10.510 -2.218 1.00 0.00 N ATOM 901 CA LEU A 137 -0.993 -10.859 -3.258 1.00 0.00 C ATOM 902 C LEU A 137 0.301 -10.067 -3.103 1.00 0.00 C ATOM 903 O LEU A 137 1.327 -10.619 -2.707 1.00 0.00 O ATOM 904 CB LEU A 137 -1.592 -10.618 -4.649 1.00 0.00 C ATOM 905 CG LEU A 137 -0.734 -11.099 -5.826 1.00 0.00 C ATOM 906 CD1 LEU A 137 0.446 -10.166 -6.055 1.00 0.00 C ATOM 907 CD2 LEU A 137 -0.249 -12.522 -5.590 1.00 0.00 C ATOM 0 H LEU A 137 -2.812 -10.074 -2.562 1.00 0.00 H new ATOM 0 HA LEU A 137 -0.760 -11.918 -3.150 1.00 0.00 H new ATOM 0 HB2 LEU A 137 -2.561 -11.115 -4.700 1.00 0.00 H new ATOM 0 HB3 LEU A 137 -1.775 -9.550 -4.767 1.00 0.00 H new ATOM 0 HG LEU A 137 -1.355 -11.089 -6.722 1.00 0.00 H new ATOM 0 HD11 LEU A 137 1.039 -10.529 -6.895 1.00 0.00 H new ATOM 0 HD12 LEU A 137 0.080 -9.163 -6.276 1.00 0.00 H new ATOM 0 HD13 LEU A 137 1.066 -10.137 -5.159 1.00 0.00 H new ATOM 0 HD21 LEU A 137 0.358 -12.845 -6.436 1.00 0.00 H new ATOM 0 HD22 LEU A 137 0.350 -12.556 -4.680 1.00 0.00 H new ATOM 0 HD23 LEU A 137 -1.107 -13.186 -5.485 1.00 0.00 H new ATOM 919 N ALA A 138 0.241 -8.772 -3.428 1.00 0.00 N ATOM 920 CA ALA A 138 1.402 -7.880 -3.347 1.00 0.00 C ATOM 921 C ALA A 138 2.312 -8.206 -2.166 1.00 0.00 C ATOM 922 O ALA A 138 3.529 -8.035 -2.245 1.00 0.00 O ATOM 923 CB ALA A 138 0.945 -6.434 -3.272 1.00 0.00 C ATOM 0 H ALA A 138 -0.610 -8.314 -3.753 1.00 0.00 H new ATOM 0 HA ALA A 138 1.988 -8.034 -4.253 1.00 0.00 H new ATOM 0 HB1 ALA A 138 1.815 -5.780 -3.212 1.00 0.00 H new ATOM 0 HB2 ALA A 138 0.367 -6.188 -4.163 1.00 0.00 H new ATOM 0 HB3 ALA A 138 0.324 -6.294 -2.387 1.00 0.00 H new ATOM 929 N SER A 139 1.722 -8.676 -1.074 1.00 0.00 N ATOM 930 CA SER A 139 2.484 -9.024 0.121 1.00 0.00 C ATOM 931 C SER A 139 3.704 -9.886 -0.220 1.00 0.00 C ATOM 932 O SER A 139 4.672 -9.930 0.539 1.00 0.00 O ATOM 933 CB SER A 139 1.578 -9.747 1.122 1.00 0.00 C ATOM 934 OG SER A 139 2.127 -10.991 1.526 1.00 0.00 O ATOM 0 H SER A 139 0.717 -8.826 -0.990 1.00 0.00 H new ATOM 0 HA SER A 139 2.852 -8.102 0.570 1.00 0.00 H new ATOM 0 HB2 SER A 139 1.426 -9.115 1.997 1.00 0.00 H new ATOM 0 HB3 SER A 139 0.598 -9.911 0.673 1.00 0.00 H new ATOM 0 HG SER A 139 1.523 -11.423 2.166 1.00 0.00 H new ATOM 940 N HIS A 140 3.648 -10.573 -1.359 1.00 0.00 N ATOM 941 CA HIS A 140 4.742 -11.438 -1.794 1.00 0.00 C ATOM 942 C HIS A 140 6.095 -10.730 -1.723 1.00 0.00 C ATOM 943 O HIS A 140 7.116 -11.363 -1.455 1.00 0.00 O ATOM 944 CB HIS A 140 4.492 -11.934 -3.221 1.00 0.00 C ATOM 945 CG HIS A 140 4.488 -10.844 -4.250 1.00 0.00 C ATOM 946 ND1 HIS A 140 5.544 -10.573 -5.091 1.00 0.00 N ATOM 947 CD2 HIS A 140 3.517 -9.954 -4.575 1.00 0.00 C ATOM 948 CE1 HIS A 140 5.187 -9.549 -5.881 1.00 0.00 C ATOM 949 NE2 HIS A 140 3.967 -9.139 -5.607 1.00 0.00 N ATOM 0 H HIS A 140 2.854 -10.547 -1.999 1.00 0.00 H new ATOM 0 HA HIS A 140 4.773 -12.287 -1.112 1.00 0.00 H new ATOM 0 HB2 HIS A 140 5.259 -12.663 -3.481 1.00 0.00 H new ATOM 0 HB3 HIS A 140 3.534 -12.453 -3.252 1.00 0.00 H new ATOM 0 HD2 HIS A 140 2.547 -9.889 -4.105 1.00 0.00 H new ATOM 0 HE1 HIS A 140 5.819 -9.117 -6.643 1.00 0.00 H new ATOM 0 HE2 HIS A 140 3.457 -8.380 -6.059 1.00 0.00 H new ATOM 957 N LEU A 141 6.107 -9.424 -1.974 1.00 0.00 N ATOM 958 CA LEU A 141 7.353 -8.662 -1.943 1.00 0.00 C ATOM 959 C LEU A 141 7.194 -7.331 -1.213 1.00 0.00 C ATOM 960 O LEU A 141 8.035 -6.960 -0.394 1.00 0.00 O ATOM 961 CB LEU A 141 7.851 -8.405 -3.365 1.00 0.00 C ATOM 962 CG LEU A 141 9.124 -7.558 -3.452 1.00 0.00 C ATOM 963 CD1 LEU A 141 10.301 -8.405 -3.908 1.00 0.00 C ATOM 964 CD2 LEU A 141 8.920 -6.373 -4.382 1.00 0.00 C ATOM 0 H LEU A 141 5.277 -8.875 -2.199 1.00 0.00 H new ATOM 0 HA LEU A 141 8.082 -9.261 -1.397 1.00 0.00 H new ATOM 0 HB2 LEU A 141 8.034 -9.364 -3.850 1.00 0.00 H new ATOM 0 HB3 LEU A 141 7.061 -7.909 -3.928 1.00 0.00 H new ATOM 0 HG LEU A 141 9.346 -7.173 -2.457 1.00 0.00 H new ATOM 0 HD11 LEU A 141 11.196 -7.785 -3.963 1.00 0.00 H new ATOM 0 HD12 LEU A 141 10.464 -9.214 -3.196 1.00 0.00 H new ATOM 0 HD13 LEU A 141 10.088 -8.824 -4.892 1.00 0.00 H new ATOM 0 HD21 LEU A 141 9.837 -5.785 -4.429 1.00 0.00 H new ATOM 0 HD22 LEU A 141 8.668 -6.733 -5.380 1.00 0.00 H new ATOM 0 HD23 LEU A 141 8.109 -5.750 -4.005 1.00 0.00 H new ATOM 976 N ARG A 142 6.127 -6.605 -1.531 1.00 0.00 N ATOM 977 CA ARG A 142 5.873 -5.299 -0.922 1.00 0.00 C ATOM 978 C ARG A 142 6.126 -5.311 0.585 1.00 0.00 C ATOM 979 O ARG A 142 7.078 -4.695 1.065 1.00 0.00 O ATOM 980 CB ARG A 142 4.438 -4.847 -1.207 1.00 0.00 C ATOM 981 CG ARG A 142 4.041 -4.949 -2.673 1.00 0.00 C ATOM 982 CD ARG A 142 5.070 -4.302 -3.588 1.00 0.00 C ATOM 983 NE ARG A 142 5.663 -5.271 -4.506 1.00 0.00 N ATOM 984 CZ ARG A 142 4.985 -5.884 -5.474 1.00 0.00 C ATOM 985 NH1 ARG A 142 3.700 -5.616 -5.667 1.00 0.00 N ATOM 986 NH2 ARG A 142 5.594 -6.767 -6.254 1.00 0.00 N ATOM 0 H ARG A 142 5.422 -6.897 -2.208 1.00 0.00 H new ATOM 0 HA ARG A 142 6.571 -4.592 -1.370 1.00 0.00 H new ATOM 0 HB2 ARG A 142 3.752 -5.450 -0.612 1.00 0.00 H new ATOM 0 HB3 ARG A 142 4.321 -3.814 -0.880 1.00 0.00 H new ATOM 0 HG2 ARG A 142 3.923 -5.998 -2.945 1.00 0.00 H new ATOM 0 HG3 ARG A 142 3.073 -4.471 -2.821 1.00 0.00 H new ATOM 0 HD2 ARG A 142 4.598 -3.502 -4.159 1.00 0.00 H new ATOM 0 HD3 ARG A 142 5.855 -3.844 -2.986 1.00 0.00 H new ATOM 0 HE ARG A 142 6.653 -5.491 -4.399 1.00 0.00 H new ATOM 0 HH11 ARG A 142 3.226 -4.937 -5.072 1.00 0.00 H new ATOM 0 HH12 ARG A 142 3.186 -6.089 -6.410 1.00 0.00 H new ATOM 0 HH21 ARG A 142 6.582 -6.977 -6.112 1.00 0.00 H new ATOM 0 HH22 ARG A 142 5.074 -7.236 -6.996 1.00 0.00 H new ATOM 1000 N LYS A 143 5.272 -6.006 1.328 1.00 0.00 N ATOM 1001 CA LYS A 143 5.414 -6.080 2.777 1.00 0.00 C ATOM 1002 C LYS A 143 6.547 -7.024 3.172 1.00 0.00 C ATOM 1003 O LYS A 143 7.284 -6.759 4.122 1.00 0.00 O ATOM 1004 CB LYS A 143 4.101 -6.531 3.421 1.00 0.00 C ATOM 1005 CG LYS A 143 3.495 -5.487 4.345 1.00 0.00 C ATOM 1006 CD LYS A 143 3.121 -4.220 3.591 1.00 0.00 C ATOM 1007 CE LYS A 143 1.719 -3.752 3.948 1.00 0.00 C ATOM 1008 NZ LYS A 143 1.701 -2.969 5.214 1.00 0.00 N ATOM 0 H LYS A 143 4.477 -6.524 0.953 1.00 0.00 H new ATOM 0 HA LYS A 143 5.661 -5.083 3.141 1.00 0.00 H new ATOM 0 HB2 LYS A 143 3.384 -6.772 2.637 1.00 0.00 H new ATOM 0 HB3 LYS A 143 4.277 -7.447 3.985 1.00 0.00 H new ATOM 0 HG2 LYS A 143 2.609 -5.899 4.828 1.00 0.00 H new ATOM 0 HG3 LYS A 143 4.205 -5.244 5.136 1.00 0.00 H new ATOM 0 HD2 LYS A 143 3.838 -3.433 3.822 1.00 0.00 H new ATOM 0 HD3 LYS A 143 3.183 -4.402 2.518 1.00 0.00 H new ATOM 0 HE2 LYS A 143 1.323 -3.141 3.137 1.00 0.00 H new ATOM 0 HE3 LYS A 143 1.062 -4.616 4.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 143 1.034 -3.405 5.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 143 2.654 -2.962 5.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 143 1.403 -1.993 5.014 1.00 0.00 H new ATOM 1022 N LEU A 144 6.683 -8.124 2.438 1.00 0.00 N ATOM 1023 CA LEU A 144 7.730 -9.101 2.716 1.00 0.00 C ATOM 1024 C LEU A 144 9.112 -8.467 2.587 1.00 0.00 C ATOM 1025 O LEU A 144 9.806 -8.258 3.582 1.00 0.00 O ATOM 1026 CB LEU A 144 7.607 -10.296 1.765 1.00 0.00 C ATOM 1027 CG LEU A 144 7.164 -11.603 2.423 1.00 0.00 C ATOM 1028 CD1 LEU A 144 5.671 -11.575 2.710 1.00 0.00 C ATOM 1029 CD2 LEU A 144 7.518 -12.790 1.540 1.00 0.00 C ATOM 0 H LEU A 144 6.083 -8.361 1.648 1.00 0.00 H new ATOM 0 HA LEU A 144 7.607 -9.450 3.741 1.00 0.00 H new ATOM 0 HB2 LEU A 144 6.896 -10.043 0.979 1.00 0.00 H new ATOM 0 HB3 LEU A 144 8.571 -10.458 1.283 1.00 0.00 H new ATOM 0 HG LEU A 144 7.693 -11.710 3.370 1.00 0.00 H new ATOM 0 HD11 LEU A 144 5.373 -12.513 3.178 1.00 0.00 H new ATOM 0 HD12 LEU A 144 5.445 -10.746 3.381 1.00 0.00 H new ATOM 0 HD13 LEU A 144 5.123 -11.445 1.776 1.00 0.00 H new ATOM 0 HD21 LEU A 144 7.196 -13.712 2.024 1.00 0.00 H new ATOM 0 HD22 LEU A 144 7.016 -12.690 0.578 1.00 0.00 H new ATOM 0 HD23 LEU A 144 8.597 -12.819 1.385 1.00 0.00 H new