USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 628 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 47 TYR OH : rot -98:sc= 0.0254 USER MOD Set 1.2: A 56 HIS : no HE2:sc= -2.6 K(o=-2.6,f=-2) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc= -0.667 K(o=-0.67,f=0) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 TYR OH : rot 31:sc= 1.18 USER MOD ----------------------------------------------------------------- ATOM 42 N LEU A 3 -13.815 -0.875 5.935 1.00 0.00 N ATOM 43 CA LEU A 3 -12.437 -1.072 5.497 1.00 0.00 C ATOM 44 C LEU A 3 -11.994 -2.514 5.727 1.00 0.00 C ATOM 45 O LEU A 3 -12.522 -3.205 6.599 1.00 0.00 O ATOM 46 CB LEU A 3 -11.503 -0.115 6.239 1.00 0.00 C ATOM 47 CG LEU A 3 -11.867 1.368 6.168 1.00 0.00 C ATOM 48 CD1 LEU A 3 -10.949 2.187 7.061 1.00 0.00 C ATOM 49 CD2 LEU A 3 -11.799 1.866 4.731 1.00 0.00 C ATOM 0 HA LEU A 3 -12.388 -0.862 4.429 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -11.471 -0.411 7.288 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -10.496 -0.241 5.841 1.00 0.00 H new ATOM 0 HG LEU A 3 -12.890 1.488 6.526 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -11.224 3.240 6.997 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -11.048 1.848 8.092 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -9.917 2.061 6.735 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -12.061 2.924 4.700 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -10.788 1.731 4.347 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -12.499 1.300 4.116 1.00 0.00 H new ATOM 61 N VAL A 4 -11.020 -2.961 4.941 1.00 0.00 N ATOM 62 CA VAL A 4 -10.503 -4.319 5.061 1.00 0.00 C ATOM 63 C VAL A 4 -9.000 -4.359 4.811 1.00 0.00 C ATOM 64 O VAL A 4 -8.514 -3.837 3.808 1.00 0.00 O ATOM 65 CB VAL A 4 -11.202 -5.274 4.075 1.00 0.00 C ATOM 66 CG1 VAL A 4 -12.683 -5.388 4.401 1.00 0.00 C ATOM 67 CG2 VAL A 4 -10.998 -4.804 2.643 1.00 0.00 C ATOM 0 H VAL A 4 -10.573 -2.402 4.214 1.00 0.00 H new ATOM 0 HA VAL A 4 -10.707 -4.647 6.080 1.00 0.00 H new ATOM 0 HB VAL A 4 -10.755 -6.263 4.176 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -13.160 -6.067 3.694 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -12.804 -5.774 5.413 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -13.148 -4.405 4.330 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -11.498 -5.490 1.960 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -11.417 -3.805 2.525 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -9.932 -4.780 2.416 1.00 0.00 H new ATOM 77 N GLU A 5 -8.269 -4.982 5.730 1.00 0.00 N ATOM 78 CA GLU A 5 -6.820 -5.090 5.608 1.00 0.00 C ATOM 79 C GLU A 5 -6.437 -5.964 4.417 1.00 0.00 C ATOM 80 O GLU A 5 -6.938 -7.078 4.266 1.00 0.00 O ATOM 81 CB GLU A 5 -6.220 -5.666 6.892 1.00 0.00 C ATOM 82 CG GLU A 5 -4.727 -5.937 6.798 1.00 0.00 C ATOM 83 CD GLU A 5 -4.194 -6.689 8.002 1.00 0.00 C ATOM 84 OE1 GLU A 5 -4.235 -7.937 7.987 1.00 0.00 O ATOM 85 OE2 GLU A 5 -3.736 -6.030 8.959 1.00 0.00 O ATOM 0 H GLU A 5 -8.656 -5.419 6.566 1.00 0.00 H new ATOM 0 HA GLU A 5 -6.419 -4.090 5.445 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -6.404 -4.972 7.712 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -6.735 -6.595 7.139 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -4.522 -6.512 5.895 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -4.195 -4.991 6.701 1.00 0.00 H new ATOM 92 N ILE A 6 -5.547 -5.449 3.576 1.00 0.00 N ATOM 93 CA ILE A 6 -5.096 -6.183 2.399 1.00 0.00 C ATOM 94 C ILE A 6 -3.625 -6.563 2.519 1.00 0.00 C ATOM 95 O ILE A 6 -3.226 -7.666 2.147 1.00 0.00 O ATOM 96 CB ILE A 6 -5.300 -5.361 1.112 1.00 0.00 C ATOM 97 CG1 ILE A 6 -4.865 -3.911 1.333 1.00 0.00 C ATOM 98 CG2 ILE A 6 -6.754 -5.423 0.669 1.00 0.00 C ATOM 99 CD1 ILE A 6 -4.829 -3.091 0.062 1.00 0.00 C ATOM 0 H ILE A 6 -5.124 -4.528 3.687 1.00 0.00 H new ATOM 0 HA ILE A 6 -5.699 -7.089 2.341 1.00 0.00 H new ATOM 0 HB ILE A 6 -4.682 -5.789 0.323 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -5.547 -3.439 2.041 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -3.875 -3.903 1.790 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -6.882 -4.837 -0.241 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -7.032 -6.459 0.476 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -7.391 -5.017 1.454 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -4.512 -2.074 0.294 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -4.126 -3.539 -0.640 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -5.823 -3.069 -0.385 1.00 0.00 H new ATOM 111 N GLY A 7 -2.821 -5.642 3.042 1.00 0.00 N ATOM 112 CA GLY A 7 -1.402 -5.901 3.203 1.00 0.00 C ATOM 113 C GLY A 7 -0.757 -4.981 4.221 1.00 0.00 C ATOM 114 O GLY A 7 -1.418 -4.110 4.787 1.00 0.00 O ATOM 0 H GLY A 7 -3.127 -4.721 3.357 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.257 -6.937 3.511 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.902 -5.781 2.242 1.00 0.00 H new ATOM 118 N ARG A 8 0.536 -5.175 4.456 1.00 0.00 N ATOM 119 CA ARG A 8 1.270 -4.358 5.415 1.00 0.00 C ATOM 120 C ARG A 8 2.667 -4.033 4.896 1.00 0.00 C ATOM 121 O ARG A 8 3.270 -4.823 4.169 1.00 0.00 O ATOM 122 CB ARG A 8 1.369 -5.079 6.761 1.00 0.00 C ATOM 123 CG ARG A 8 2.219 -4.344 7.784 1.00 0.00 C ATOM 124 CD ARG A 8 2.541 -5.228 8.979 1.00 0.00 C ATOM 125 NE ARG A 8 3.235 -6.451 8.583 1.00 0.00 N ATOM 126 CZ ARG A 8 3.587 -7.405 9.438 1.00 0.00 C ATOM 127 NH1 ARG A 8 3.313 -7.278 10.728 1.00 0.00 N ATOM 128 NH2 ARG A 8 4.216 -8.489 9.001 1.00 0.00 N ATOM 0 H ARG A 8 1.098 -5.891 3.995 1.00 0.00 H new ATOM 0 HA ARG A 8 0.725 -3.424 5.550 1.00 0.00 H new ATOM 0 HB2 ARG A 8 0.366 -5.215 7.165 1.00 0.00 H new ATOM 0 HB3 ARG A 8 1.786 -6.073 6.601 1.00 0.00 H new ATOM 0 HG2 ARG A 8 3.145 -4.010 7.317 1.00 0.00 H new ATOM 0 HG3 ARG A 8 1.693 -3.451 8.122 1.00 0.00 H new ATOM 0 HD2 ARG A 8 3.159 -4.673 9.685 1.00 0.00 H new ATOM 0 HD3 ARG A 8 1.618 -5.487 9.498 1.00 0.00 H new ATOM 0 HE ARG A 8 3.462 -6.579 7.597 1.00 0.00 H new ATOM 0 HH11 ARG A 8 2.830 -6.446 11.067 1.00 0.00 H new ATOM 0 HH12 ARG A 8 3.585 -8.012 11.382 1.00 0.00 H new ATOM 0 HH21 ARG A 8 4.429 -8.590 8.009 1.00 0.00 H new ATOM 0 HH22 ARG A 8 4.486 -9.221 9.658 1.00 0.00 H new ATOM 142 N PHE A 9 3.176 -2.864 5.273 1.00 0.00 N ATOM 143 CA PHE A 9 4.501 -2.433 4.844 1.00 0.00 C ATOM 144 C PHE A 9 5.589 -3.241 5.546 1.00 0.00 C ATOM 145 O PHE A 9 5.458 -3.593 6.717 1.00 0.00 O ATOM 146 CB PHE A 9 4.693 -0.942 5.129 1.00 0.00 C ATOM 147 CG PHE A 9 3.774 -0.057 4.337 1.00 0.00 C ATOM 148 CD1 PHE A 9 3.644 -0.221 2.967 1.00 0.00 C ATOM 149 CD2 PHE A 9 3.040 0.938 4.961 1.00 0.00 C ATOM 150 CE1 PHE A 9 2.800 0.592 2.235 1.00 0.00 C ATOM 151 CE2 PHE A 9 2.194 1.755 4.234 1.00 0.00 C ATOM 152 CZ PHE A 9 2.073 1.581 2.870 1.00 0.00 C ATOM 0 H PHE A 9 2.690 -2.199 5.875 1.00 0.00 H new ATOM 0 HA PHE A 9 4.581 -2.604 3.770 1.00 0.00 H new ATOM 0 HB2 PHE A 9 4.533 -0.760 6.192 1.00 0.00 H new ATOM 0 HB3 PHE A 9 5.725 -0.669 4.911 1.00 0.00 H new ATOM 0 HD1 PHE A 9 4.209 -0.993 2.466 1.00 0.00 H new ATOM 0 HD2 PHE A 9 3.130 1.077 6.028 1.00 0.00 H new ATOM 0 HE1 PHE A 9 2.709 0.455 1.168 1.00 0.00 H new ATOM 0 HE2 PHE A 9 1.629 2.528 4.733 1.00 0.00 H new ATOM 0 HZ PHE A 9 1.411 2.217 2.300 1.00 0.00 H new ATOM 162 N GLY A 10 6.664 -3.532 4.819 1.00 0.00 N ATOM 163 CA GLY A 10 7.759 -4.296 5.387 1.00 0.00 C ATOM 164 C GLY A 10 9.000 -3.454 5.609 1.00 0.00 C ATOM 165 O GLY A 10 9.319 -3.095 6.742 1.00 0.00 O ATOM 0 H GLY A 10 6.796 -3.252 3.847 1.00 0.00 H new ATOM 0 HA2 GLY A 10 7.442 -4.728 6.336 1.00 0.00 H new ATOM 0 HA3 GLY A 10 8.001 -5.126 4.724 1.00 0.00 H new ATOM 169 N ALA A 11 9.702 -3.140 4.526 1.00 0.00 N ATOM 170 CA ALA A 11 10.914 -2.335 4.608 1.00 0.00 C ATOM 171 C ALA A 11 10.901 -1.215 3.572 1.00 0.00 C ATOM 172 O ALA A 11 10.255 -1.310 2.528 1.00 0.00 O ATOM 173 CB ALA A 11 12.143 -3.212 4.423 1.00 0.00 C ATOM 0 H ALA A 11 9.452 -3.431 3.581 1.00 0.00 H new ATOM 0 HA ALA A 11 10.951 -1.879 5.597 1.00 0.00 H new ATOM 0 HB1 ALA A 11 13.041 -2.598 4.487 1.00 0.00 H new ATOM 0 HB2 ALA A 11 12.168 -3.973 5.203 1.00 0.00 H new ATOM 0 HB3 ALA A 11 12.102 -3.695 3.447 1.00 0.00 H new ATOM 179 N PRO A 12 11.629 -0.128 3.865 1.00 0.00 N ATOM 180 CA PRO A 12 11.717 1.030 2.972 1.00 0.00 C ATOM 181 C PRO A 12 12.505 0.725 1.702 1.00 0.00 C ATOM 182 O PRO A 12 13.730 0.608 1.733 1.00 0.00 O ATOM 183 CB PRO A 12 12.450 2.075 3.817 1.00 0.00 C ATOM 184 CG PRO A 12 13.241 1.281 4.799 1.00 0.00 C ATOM 185 CD PRO A 12 12.424 0.053 5.092 1.00 0.00 C ATOM 0 HA PRO A 12 10.735 1.353 2.627 1.00 0.00 H new ATOM 0 HB2 PRO A 12 13.096 2.700 3.201 1.00 0.00 H new ATOM 0 HB3 PRO A 12 11.748 2.741 4.320 1.00 0.00 H new ATOM 0 HG2 PRO A 12 14.215 1.013 4.390 1.00 0.00 H new ATOM 0 HG3 PRO A 12 13.424 1.854 5.708 1.00 0.00 H new ATOM 0 HD2 PRO A 12 13.056 -0.812 5.293 1.00 0.00 H new ATOM 0 HD3 PRO A 12 11.788 0.192 5.966 1.00 0.00 H new ATOM 193 N TYR A 13 11.794 0.597 0.587 1.00 0.00 N ATOM 194 CA TYR A 13 12.426 0.304 -0.693 1.00 0.00 C ATOM 195 C TYR A 13 13.566 1.278 -0.974 1.00 0.00 C ATOM 196 O TYR A 13 13.807 2.207 -0.204 1.00 0.00 O ATOM 197 CB TYR A 13 11.395 0.368 -1.821 1.00 0.00 C ATOM 198 CG TYR A 13 11.849 -0.308 -3.095 1.00 0.00 C ATOM 199 CD1 TYR A 13 11.838 -1.693 -3.212 1.00 0.00 C ATOM 200 CD2 TYR A 13 12.291 0.437 -4.182 1.00 0.00 C ATOM 201 CE1 TYR A 13 12.252 -2.315 -4.374 1.00 0.00 C ATOM 202 CE2 TYR A 13 12.706 -0.177 -5.348 1.00 0.00 C ATOM 203 CZ TYR A 13 12.685 -1.553 -5.439 1.00 0.00 C ATOM 204 OH TYR A 13 13.099 -2.168 -6.598 1.00 0.00 O ATOM 0 H TYR A 13 10.779 0.692 0.544 1.00 0.00 H new ATOM 0 HA TYR A 13 12.838 -0.704 -0.643 1.00 0.00 H new ATOM 0 HB2 TYR A 13 10.469 -0.097 -1.483 1.00 0.00 H new ATOM 0 HB3 TYR A 13 11.167 1.412 -2.035 1.00 0.00 H new ATOM 0 HD1 TYR A 13 11.500 -2.293 -2.380 1.00 0.00 H new ATOM 0 HD2 TYR A 13 12.310 1.515 -4.114 1.00 0.00 H new ATOM 0 HE1 TYR A 13 12.237 -3.392 -4.448 1.00 0.00 H new ATOM 0 HE2 TYR A 13 13.045 0.417 -6.184 1.00 0.00 H new ATOM 0 HH TYR A 13 13.371 -1.489 -7.250 1.00 0.00 H new ATOM 214 N ALA A 14 14.263 1.058 -2.084 1.00 0.00 N ATOM 215 CA ALA A 14 15.376 1.917 -2.469 1.00 0.00 C ATOM 216 C ALA A 14 15.053 3.384 -2.207 1.00 0.00 C ATOM 217 O ALA A 14 13.889 3.758 -2.058 1.00 0.00 O ATOM 218 CB ALA A 14 15.723 1.705 -3.936 1.00 0.00 C ATOM 0 H ALA A 14 14.077 0.293 -2.732 1.00 0.00 H new ATOM 0 HA ALA A 14 16.239 1.647 -1.860 1.00 0.00 H new ATOM 0 HB1 ALA A 14 16.556 2.353 -4.210 1.00 0.00 H new ATOM 0 HB2 ALA A 14 16.005 0.664 -4.097 1.00 0.00 H new ATOM 0 HB3 ALA A 14 14.857 1.946 -4.553 1.00 0.00 H new ATOM 224 N LEU A 15 16.091 4.212 -2.151 1.00 0.00 N ATOM 225 CA LEU A 15 15.917 5.640 -1.906 1.00 0.00 C ATOM 226 C LEU A 15 14.794 6.208 -2.767 1.00 0.00 C ATOM 227 O LEU A 15 14.144 7.185 -2.393 1.00 0.00 O ATOM 228 CB LEU A 15 17.221 6.388 -2.189 1.00 0.00 C ATOM 229 CG LEU A 15 18.494 5.758 -1.622 1.00 0.00 C ATOM 230 CD1 LEU A 15 19.704 6.624 -1.934 1.00 0.00 C ATOM 231 CD2 LEU A 15 18.360 5.545 -0.121 1.00 0.00 C ATOM 0 H LEU A 15 17.061 3.920 -2.272 1.00 0.00 H new ATOM 0 HA LEU A 15 15.648 5.774 -0.858 1.00 0.00 H new ATOM 0 HB2 LEU A 15 17.336 6.481 -3.269 1.00 0.00 H new ATOM 0 HB3 LEU A 15 17.131 7.398 -1.790 1.00 0.00 H new ATOM 0 HG LEU A 15 18.638 4.787 -2.095 1.00 0.00 H new ATOM 0 HD11 LEU A 15 20.600 6.159 -1.522 1.00 0.00 H new ATOM 0 HD12 LEU A 15 19.811 6.724 -3.014 1.00 0.00 H new ATOM 0 HD13 LEU A 15 19.570 7.610 -1.489 1.00 0.00 H new ATOM 0 HD21 LEU A 15 19.275 5.096 0.266 1.00 0.00 H new ATOM 0 HD22 LEU A 15 18.191 6.504 0.369 1.00 0.00 H new ATOM 0 HD23 LEU A 15 17.518 4.882 0.079 1.00 0.00 H new ATOM 243 N LYS A 16 14.570 5.590 -3.921 1.00 0.00 N ATOM 244 CA LYS A 16 13.523 6.031 -4.835 1.00 0.00 C ATOM 245 C LYS A 16 12.286 6.485 -4.067 1.00 0.00 C ATOM 246 O LYS A 16 11.530 7.335 -4.536 1.00 0.00 O ATOM 247 CB LYS A 16 13.151 4.902 -5.800 1.00 0.00 C ATOM 248 CG LYS A 16 14.267 4.531 -6.761 1.00 0.00 C ATOM 249 CD LYS A 16 14.348 5.504 -7.925 1.00 0.00 C ATOM 250 CE LYS A 16 15.562 5.229 -8.799 1.00 0.00 C ATOM 251 NZ LYS A 16 16.789 5.883 -8.266 1.00 0.00 N ATOM 0 H LYS A 16 15.100 4.781 -4.246 1.00 0.00 H new ATOM 0 HA LYS A 16 13.906 6.877 -5.405 1.00 0.00 H new ATOM 0 HB2 LYS A 16 12.871 4.020 -5.224 1.00 0.00 H new ATOM 0 HB3 LYS A 16 12.273 5.200 -6.373 1.00 0.00 H new ATOM 0 HG2 LYS A 16 15.218 4.520 -6.228 1.00 0.00 H new ATOM 0 HG3 LYS A 16 14.102 3.522 -7.140 1.00 0.00 H new ATOM 0 HD2 LYS A 16 13.442 5.430 -8.526 1.00 0.00 H new ATOM 0 HD3 LYS A 16 14.396 6.524 -7.545 1.00 0.00 H new ATOM 0 HE2 LYS A 16 15.724 4.153 -8.867 1.00 0.00 H new ATOM 0 HE3 LYS A 16 15.370 5.587 -9.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 17.594 5.672 -8.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 16.644 6.912 -8.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 16.987 5.523 -7.311 1.00 0.00 H new ATOM 265 N GLY A 17 12.087 5.914 -2.883 1.00 0.00 N ATOM 266 CA GLY A 17 10.941 6.275 -2.069 1.00 0.00 C ATOM 267 C GLY A 17 9.837 5.238 -2.130 1.00 0.00 C ATOM 268 O GLY A 17 8.657 5.572 -2.037 1.00 0.00 O ATOM 0 H GLY A 17 12.699 5.208 -2.473 1.00 0.00 H new ATOM 0 HA2 GLY A 17 11.260 6.402 -1.034 1.00 0.00 H new ATOM 0 HA3 GLY A 17 10.551 7.237 -2.402 1.00 0.00 H new ATOM 272 N GLY A 18 10.221 3.975 -2.290 1.00 0.00 N ATOM 273 CA GLY A 18 9.242 2.906 -2.363 1.00 0.00 C ATOM 274 C GLY A 18 9.080 2.177 -1.044 1.00 0.00 C ATOM 275 O GLY A 18 9.993 2.164 -0.217 1.00 0.00 O ATOM 0 H GLY A 18 11.192 3.673 -2.370 1.00 0.00 H new ATOM 0 HA2 GLY A 18 8.280 3.319 -2.667 1.00 0.00 H new ATOM 0 HA3 GLY A 18 9.542 2.195 -3.133 1.00 0.00 H new ATOM 279 N LEU A 19 7.915 1.571 -0.844 1.00 0.00 N ATOM 280 CA LEU A 19 7.635 0.837 0.385 1.00 0.00 C ATOM 281 C LEU A 19 7.115 -0.563 0.077 1.00 0.00 C ATOM 282 O LEU A 19 6.102 -0.724 -0.604 1.00 0.00 O ATOM 283 CB LEU A 19 6.615 1.598 1.235 1.00 0.00 C ATOM 284 CG LEU A 19 7.120 2.875 1.906 1.00 0.00 C ATOM 285 CD1 LEU A 19 5.954 3.770 2.296 1.00 0.00 C ATOM 286 CD2 LEU A 19 7.968 2.539 3.124 1.00 0.00 C ATOM 0 H LEU A 19 7.149 1.573 -1.517 1.00 0.00 H new ATOM 0 HA LEU A 19 8.566 0.743 0.944 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.765 1.855 0.603 1.00 0.00 H new ATOM 0 HB3 LEU A 19 6.244 0.927 2.010 1.00 0.00 H new ATOM 0 HG LEU A 19 7.743 3.415 1.193 1.00 0.00 H new ATOM 0 HD11 LEU A 19 6.333 4.674 2.772 1.00 0.00 H new ATOM 0 HD12 LEU A 19 5.388 4.039 1.404 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.304 3.239 2.991 1.00 0.00 H new ATOM 0 HD21 LEU A 19 8.319 3.461 3.589 1.00 0.00 H new ATOM 0 HD22 LEU A 19 7.369 1.977 3.840 1.00 0.00 H new ATOM 0 HD23 LEU A 19 8.824 1.939 2.817 1.00 0.00 H new ATOM 298 N ARG A 20 7.813 -1.573 0.586 1.00 0.00 N ATOM 299 CA ARG A 20 7.421 -2.960 0.366 1.00 0.00 C ATOM 300 C ARG A 20 6.067 -3.250 1.008 1.00 0.00 C ATOM 301 O ARG A 20 5.967 -3.409 2.225 1.00 0.00 O ATOM 302 CB ARG A 20 8.480 -3.908 0.932 1.00 0.00 C ATOM 303 CG ARG A 20 9.878 -3.650 0.395 1.00 0.00 C ATOM 304 CD ARG A 20 10.807 -4.820 0.676 1.00 0.00 C ATOM 305 NE ARG A 20 10.661 -5.320 2.040 1.00 0.00 N ATOM 306 CZ ARG A 20 11.050 -6.530 2.426 1.00 0.00 C ATOM 307 NH1 ARG A 20 11.607 -7.360 1.554 1.00 0.00 N ATOM 308 NH2 ARG A 20 10.883 -6.912 3.685 1.00 0.00 N ATOM 0 H ARG A 20 8.653 -1.457 1.153 1.00 0.00 H new ATOM 0 HA ARG A 20 7.337 -3.122 -0.709 1.00 0.00 H new ATOM 0 HB2 ARG A 20 8.494 -3.816 2.018 1.00 0.00 H new ATOM 0 HB3 ARG A 20 8.196 -4.935 0.703 1.00 0.00 H new ATOM 0 HG2 ARG A 20 9.829 -3.473 -0.679 1.00 0.00 H new ATOM 0 HG3 ARG A 20 10.282 -2.746 0.849 1.00 0.00 H new ATOM 0 HD2 ARG A 20 10.600 -5.625 -0.029 1.00 0.00 H new ATOM 0 HD3 ARG A 20 11.839 -4.511 0.512 1.00 0.00 H new ATOM 0 HE ARG A 20 10.237 -4.706 2.735 1.00 0.00 H new ATOM 0 HH11 ARG A 20 11.737 -7.070 0.585 1.00 0.00 H new ATOM 0 HH12 ARG A 20 11.905 -8.289 1.853 1.00 0.00 H new ATOM 0 HH21 ARG A 20 10.455 -6.276 4.358 1.00 0.00 H new ATOM 0 HH22 ARG A 20 11.182 -7.841 3.980 1.00 0.00 H new ATOM 322 N PHE A 21 5.029 -3.318 0.181 1.00 0.00 N ATOM 323 CA PHE A 21 3.681 -3.588 0.668 1.00 0.00 C ATOM 324 C PHE A 21 3.258 -5.016 0.336 1.00 0.00 C ATOM 325 O PHE A 21 3.028 -5.352 -0.826 1.00 0.00 O ATOM 326 CB PHE A 21 2.688 -2.596 0.060 1.00 0.00 C ATOM 327 CG PHE A 21 1.257 -3.043 0.157 1.00 0.00 C ATOM 328 CD1 PHE A 21 0.587 -3.008 1.369 1.00 0.00 C ATOM 329 CD2 PHE A 21 0.583 -3.499 -0.964 1.00 0.00 C ATOM 330 CE1 PHE A 21 -0.729 -3.418 1.462 1.00 0.00 C ATOM 331 CE2 PHE A 21 -0.734 -3.910 -0.877 1.00 0.00 C ATOM 332 CZ PHE A 21 -1.390 -3.871 0.337 1.00 0.00 C ATOM 0 H PHE A 21 5.095 -3.190 -0.829 1.00 0.00 H new ATOM 0 HA PHE A 21 3.683 -3.471 1.752 1.00 0.00 H new ATOM 0 HB2 PHE A 21 2.794 -1.634 0.562 1.00 0.00 H new ATOM 0 HB3 PHE A 21 2.941 -2.438 -0.989 1.00 0.00 H new ATOM 0 HD1 PHE A 21 1.100 -2.656 2.252 1.00 0.00 H new ATOM 0 HD2 PHE A 21 1.092 -3.534 -1.916 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -1.240 -3.384 2.413 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -1.250 -4.261 -1.759 1.00 0.00 H new ATOM 0 HZ PHE A 21 -2.418 -4.194 0.407 1.00 0.00 H new ATOM 342 N ARG A 22 3.158 -5.852 1.364 1.00 0.00 N ATOM 343 CA ARG A 22 2.765 -7.244 1.182 1.00 0.00 C ATOM 344 C ARG A 22 1.274 -7.427 1.450 1.00 0.00 C ATOM 345 O ARG A 22 0.852 -7.568 2.597 1.00 0.00 O ATOM 346 CB ARG A 22 3.576 -8.151 2.109 1.00 0.00 C ATOM 347 CG ARG A 22 3.347 -9.633 1.864 1.00 0.00 C ATOM 348 CD ARG A 22 3.773 -10.468 3.062 1.00 0.00 C ATOM 349 NE ARG A 22 3.240 -11.826 3.000 1.00 0.00 N ATOM 350 CZ ARG A 22 3.596 -12.795 3.836 1.00 0.00 C ATOM 351 NH1 ARG A 22 4.481 -12.555 4.794 1.00 0.00 N ATOM 352 NH2 ARG A 22 3.067 -14.005 3.716 1.00 0.00 N ATOM 0 H ARG A 22 3.344 -5.589 2.332 1.00 0.00 H new ATOM 0 HA ARG A 22 2.967 -7.520 0.147 1.00 0.00 H new ATOM 0 HB2 ARG A 22 4.636 -7.930 1.983 1.00 0.00 H new ATOM 0 HB3 ARG A 22 3.323 -7.919 3.143 1.00 0.00 H new ATOM 0 HG2 ARG A 22 2.292 -9.809 1.653 1.00 0.00 H new ATOM 0 HG3 ARG A 22 3.906 -9.948 0.983 1.00 0.00 H new ATOM 0 HD2 ARG A 22 4.861 -10.508 3.108 1.00 0.00 H new ATOM 0 HD3 ARG A 22 3.433 -9.987 3.979 1.00 0.00 H new ATOM 0 HE ARG A 22 2.556 -12.043 2.275 1.00 0.00 H new ATOM 0 HH11 ARG A 22 4.889 -11.625 4.890 1.00 0.00 H new ATOM 0 HH12 ARG A 22 4.753 -13.300 5.435 1.00 0.00 H new ATOM 0 HH21 ARG A 22 2.385 -14.193 2.981 1.00 0.00 H new ATOM 0 HH22 ARG A 22 3.342 -14.748 4.359 1.00 0.00 H new ATOM 366 N GLY A 23 0.481 -7.424 0.383 1.00 0.00 N ATOM 367 CA GLY A 23 -0.954 -7.590 0.525 1.00 0.00 C ATOM 368 C GLY A 23 -1.552 -8.432 -0.584 1.00 0.00 C ATOM 369 O GLY A 23 -0.861 -8.802 -1.533 1.00 0.00 O ATOM 0 H GLY A 23 0.806 -7.310 -0.577 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -1.170 -8.055 1.487 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -1.431 -6.610 0.531 1.00 0.00 H new ATOM 373 N GLU A 24 -2.841 -8.737 -0.465 1.00 0.00 N ATOM 374 CA GLU A 24 -3.531 -9.543 -1.465 1.00 0.00 C ATOM 375 C GLU A 24 -3.282 -8.998 -2.869 1.00 0.00 C ATOM 376 O GLU A 24 -2.970 -7.823 -3.059 1.00 0.00 O ATOM 377 CB GLU A 24 -5.033 -9.577 -1.178 1.00 0.00 C ATOM 378 CG GLU A 24 -5.410 -10.474 -0.011 1.00 0.00 C ATOM 379 CD GLU A 24 -4.541 -11.713 0.076 1.00 0.00 C ATOM 380 OE1 GLU A 24 -4.669 -12.590 -0.804 1.00 0.00 O ATOM 381 OE2 GLU A 24 -3.733 -11.807 1.024 1.00 0.00 O ATOM 0 H GLU A 24 -3.428 -8.438 0.314 1.00 0.00 H new ATOM 0 HA GLU A 24 -3.136 -10.558 -1.412 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -5.378 -8.564 -0.973 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -5.557 -9.917 -2.071 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -5.326 -9.910 0.918 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -6.454 -10.773 -0.109 1.00 0.00 H new ATOM 388 N PRO A 25 -3.423 -9.873 -3.876 1.00 0.00 N ATOM 389 CA PRO A 25 -3.218 -9.503 -5.279 1.00 0.00 C ATOM 390 C PRO A 25 -4.312 -8.578 -5.800 1.00 0.00 C ATOM 391 O PRO A 25 -4.173 -7.970 -6.862 1.00 0.00 O ATOM 392 CB PRO A 25 -3.262 -10.847 -6.010 1.00 0.00 C ATOM 393 CG PRO A 25 -4.079 -11.730 -5.131 1.00 0.00 C ATOM 394 CD PRO A 25 -3.793 -11.290 -3.722 1.00 0.00 C ATOM 0 HA PRO A 25 -2.288 -8.953 -5.424 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -3.712 -10.746 -6.998 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -2.260 -11.251 -6.156 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -5.140 -11.636 -5.361 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -3.813 -12.777 -5.274 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -4.665 -11.410 -3.079 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -2.985 -11.870 -3.276 1.00 0.00 H new ATOM 402 N VAL A 26 -5.402 -8.474 -5.046 1.00 0.00 N ATOM 403 CA VAL A 26 -6.520 -7.621 -5.431 1.00 0.00 C ATOM 404 C VAL A 26 -6.127 -6.148 -5.389 1.00 0.00 C ATOM 405 O VAL A 26 -6.858 -5.285 -5.876 1.00 0.00 O ATOM 406 CB VAL A 26 -7.737 -7.842 -4.514 1.00 0.00 C ATOM 407 CG1 VAL A 26 -7.378 -7.538 -3.067 1.00 0.00 C ATOM 408 CG2 VAL A 26 -8.911 -6.989 -4.971 1.00 0.00 C ATOM 0 H VAL A 26 -5.534 -8.970 -4.165 1.00 0.00 H new ATOM 0 HA VAL A 26 -6.789 -7.894 -6.451 1.00 0.00 H new ATOM 0 HB VAL A 26 -8.032 -8.889 -4.578 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -8.250 -7.700 -2.434 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.570 -8.196 -2.747 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -7.056 -6.500 -2.982 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -9.762 -7.158 -4.311 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -8.630 -5.936 -4.939 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -9.183 -7.261 -5.991 1.00 0.00 H new ATOM 418 N VAL A 27 -4.967 -5.867 -4.805 1.00 0.00 N ATOM 419 CA VAL A 27 -4.475 -4.499 -4.700 1.00 0.00 C ATOM 420 C VAL A 27 -4.115 -3.938 -6.072 1.00 0.00 C ATOM 421 O VAL A 27 -4.068 -2.722 -6.265 1.00 0.00 O ATOM 422 CB VAL A 27 -3.241 -4.414 -3.783 1.00 0.00 C ATOM 423 CG1 VAL A 27 -2.043 -5.088 -4.435 1.00 0.00 C ATOM 424 CG2 VAL A 27 -2.928 -2.965 -3.443 1.00 0.00 C ATOM 0 H VAL A 27 -4.350 -6.569 -4.397 1.00 0.00 H new ATOM 0 HA VAL A 27 -5.280 -3.906 -4.267 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.463 -4.941 -2.855 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.181 -5.018 -3.772 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.273 -6.137 -4.622 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.816 -4.593 -5.379 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.053 -2.924 -2.794 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.726 -2.412 -4.360 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.781 -2.519 -2.931 1.00 0.00 H new ATOM 434 N LEU A 28 -3.861 -4.831 -7.021 1.00 0.00 N ATOM 435 CA LEU A 28 -3.504 -4.426 -8.377 1.00 0.00 C ATOM 436 C LEU A 28 -4.684 -3.755 -9.072 1.00 0.00 C ATOM 437 O LEU A 28 -4.542 -3.201 -10.163 1.00 0.00 O ATOM 438 CB LEU A 28 -3.042 -5.639 -9.188 1.00 0.00 C ATOM 439 CG LEU A 28 -1.901 -6.456 -8.582 1.00 0.00 C ATOM 440 CD1 LEU A 28 -1.424 -7.515 -9.563 1.00 0.00 C ATOM 441 CD2 LEU A 28 -0.751 -5.546 -8.175 1.00 0.00 C ATOM 0 H LEU A 28 -3.895 -5.840 -6.878 1.00 0.00 H new ATOM 0 HA LEU A 28 -2.687 -3.707 -8.313 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.897 -6.299 -9.335 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.732 -5.295 -10.174 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.273 -6.959 -7.689 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.612 -8.087 -9.115 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.249 -8.185 -9.805 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.069 -7.033 -10.474 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.052 -6.145 -7.746 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.379 -5.015 -9.051 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.101 -4.825 -7.436 1.00 0.00 H new ATOM 453 N HIS A 29 -5.849 -3.806 -8.433 1.00 0.00 N ATOM 454 CA HIS A 29 -7.053 -3.200 -8.989 1.00 0.00 C ATOM 455 C HIS A 29 -7.486 -1.993 -8.162 1.00 0.00 C ATOM 456 O HIS A 29 -8.543 -1.409 -8.402 1.00 0.00 O ATOM 457 CB HIS A 29 -8.186 -4.225 -9.047 1.00 0.00 C ATOM 458 CG HIS A 29 -8.059 -5.194 -10.182 1.00 0.00 C ATOM 459 ND1 HIS A 29 -8.551 -4.941 -11.445 1.00 0.00 N ATOM 460 CD2 HIS A 29 -7.490 -6.421 -10.240 1.00 0.00 C ATOM 461 CE1 HIS A 29 -8.292 -5.972 -12.231 1.00 0.00 C ATOM 462 NE2 HIS A 29 -7.648 -6.883 -11.524 1.00 0.00 N ATOM 0 H HIS A 29 -5.984 -4.261 -7.530 1.00 0.00 H new ATOM 0 HA HIS A 29 -6.826 -2.863 -10.000 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -8.212 -4.779 -8.108 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -9.137 -3.699 -9.134 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -7.003 -6.940 -9.428 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -8.561 -6.055 -13.274 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -7.321 -7.783 -11.874 1.00 0.00 H new ATOM 470 N LEU A 30 -6.662 -1.625 -7.187 1.00 0.00 N ATOM 471 CA LEU A 30 -6.960 -0.487 -6.323 1.00 0.00 C ATOM 472 C LEU A 30 -6.326 0.789 -6.865 1.00 0.00 C ATOM 473 O LEU A 30 -5.494 0.744 -7.770 1.00 0.00 O ATOM 474 CB LEU A 30 -6.458 -0.756 -4.903 1.00 0.00 C ATOM 475 CG LEU A 30 -7.337 -1.661 -4.040 1.00 0.00 C ATOM 476 CD1 LEU A 30 -6.552 -2.192 -2.851 1.00 0.00 C ATOM 477 CD2 LEU A 30 -8.576 -0.912 -3.571 1.00 0.00 C ATOM 0 H LEU A 30 -5.783 -2.097 -6.975 1.00 0.00 H new ATOM 0 HA LEU A 30 -8.041 -0.352 -6.301 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -5.466 -1.202 -4.969 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -6.344 0.200 -4.392 1.00 0.00 H new ATOM 0 HG LEU A 30 -7.657 -2.509 -4.646 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -7.194 -2.834 -2.248 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.696 -2.766 -3.207 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -6.202 -1.357 -2.244 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -9.190 -1.572 -2.958 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -8.276 -0.045 -2.982 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -9.151 -0.582 -4.436 1.00 0.00 H new ATOM 489 N GLU A 31 -6.725 1.927 -6.305 1.00 0.00 N ATOM 490 CA GLU A 31 -6.195 3.216 -6.732 1.00 0.00 C ATOM 491 C GLU A 31 -5.546 3.952 -5.564 1.00 0.00 C ATOM 492 O GLU A 31 -4.446 4.490 -5.689 1.00 0.00 O ATOM 493 CB GLU A 31 -7.307 4.075 -7.336 1.00 0.00 C ATOM 494 CG GLU A 31 -7.953 3.459 -8.566 1.00 0.00 C ATOM 495 CD GLU A 31 -7.053 3.509 -9.785 1.00 0.00 C ATOM 496 OE1 GLU A 31 -6.225 2.590 -9.950 1.00 0.00 O ATOM 497 OE2 GLU A 31 -7.178 4.470 -10.574 1.00 0.00 O ATOM 0 H GLU A 31 -7.414 1.982 -5.555 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.434 3.033 -7.491 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -8.074 4.245 -6.580 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -6.898 5.050 -7.601 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -8.214 2.422 -8.354 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -8.883 3.983 -8.784 1.00 0.00 H new ATOM 504 N ARG A 32 -6.236 3.971 -4.428 1.00 0.00 N ATOM 505 CA ARG A 32 -5.728 4.643 -3.237 1.00 0.00 C ATOM 506 C ARG A 32 -5.636 3.672 -2.064 1.00 0.00 C ATOM 507 O ARG A 32 -6.231 2.594 -2.087 1.00 0.00 O ATOM 508 CB ARG A 32 -6.630 5.822 -2.867 1.00 0.00 C ATOM 509 CG ARG A 32 -7.921 5.409 -2.179 1.00 0.00 C ATOM 510 CD ARG A 32 -8.687 6.617 -1.661 1.00 0.00 C ATOM 511 NE ARG A 32 -9.335 7.357 -2.740 1.00 0.00 N ATOM 512 CZ ARG A 32 -10.098 8.426 -2.543 1.00 0.00 C ATOM 513 NH1 ARG A 32 -10.308 8.877 -1.314 1.00 0.00 N ATOM 514 NH2 ARG A 32 -10.654 9.046 -3.576 1.00 0.00 N ATOM 0 H ARG A 32 -7.147 3.529 -4.307 1.00 0.00 H new ATOM 0 HA ARG A 32 -4.728 5.015 -3.459 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -6.080 6.498 -2.213 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -6.873 6.381 -3.771 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -8.546 4.853 -2.878 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -7.695 4.738 -1.351 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -9.439 6.289 -0.944 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -8.004 7.278 -1.127 1.00 0.00 H new ATOM 0 HE ARG A 32 -9.194 7.035 -3.698 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -9.883 8.403 -0.517 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -10.894 9.698 -1.165 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -10.496 8.702 -4.523 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -11.240 9.867 -3.423 1.00 0.00 H new ATOM 528 N VAL A 33 -4.885 4.061 -1.038 1.00 0.00 N ATOM 529 CA VAL A 33 -4.714 3.226 0.145 1.00 0.00 C ATOM 530 C VAL A 33 -4.921 4.033 1.422 1.00 0.00 C ATOM 531 O VAL A 33 -5.124 5.246 1.375 1.00 0.00 O ATOM 532 CB VAL A 33 -3.316 2.580 0.179 1.00 0.00 C ATOM 533 CG1 VAL A 33 -3.192 1.519 -0.904 1.00 0.00 C ATOM 534 CG2 VAL A 33 -2.236 3.640 0.026 1.00 0.00 C ATOM 0 H VAL A 33 -4.385 4.949 -1.003 1.00 0.00 H new ATOM 0 HA VAL A 33 -5.467 2.440 0.089 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.182 2.095 1.146 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.198 1.074 -0.865 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -3.943 0.745 -0.743 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -3.346 1.977 -1.881 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.255 3.166 0.052 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -2.365 4.156 -0.926 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.314 4.359 0.842 1.00 0.00 H new ATOM 544 N TYR A 34 -4.867 3.351 2.561 1.00 0.00 N ATOM 545 CA TYR A 34 -5.050 4.005 3.851 1.00 0.00 C ATOM 546 C TYR A 34 -3.933 3.623 4.818 1.00 0.00 C ATOM 547 O TYR A 34 -3.770 2.453 5.166 1.00 0.00 O ATOM 548 CB TYR A 34 -6.407 3.630 4.448 1.00 0.00 C ATOM 549 CG TYR A 34 -6.640 4.200 5.829 1.00 0.00 C ATOM 550 CD1 TYR A 34 -5.958 5.332 6.259 1.00 0.00 C ATOM 551 CD2 TYR A 34 -7.542 3.607 6.704 1.00 0.00 C ATOM 552 CE1 TYR A 34 -6.167 5.855 7.520 1.00 0.00 C ATOM 553 CE2 TYR A 34 -7.758 4.125 7.966 1.00 0.00 C ATOM 554 CZ TYR A 34 -7.068 5.249 8.370 1.00 0.00 C ATOM 555 OH TYR A 34 -7.280 5.769 9.626 1.00 0.00 O ATOM 0 H TYR A 34 -4.698 2.347 2.617 1.00 0.00 H new ATOM 0 HA TYR A 34 -5.016 5.083 3.692 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -7.196 3.979 3.782 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -6.486 2.544 4.494 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -5.253 5.811 5.596 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -8.083 2.726 6.392 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -5.627 6.734 7.839 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -8.464 3.652 8.633 1.00 0.00 H new ATOM 0 HH TYR A 34 -7.945 5.225 10.097 1.00 0.00 H new ATOM 565 N VAL A 35 -3.166 4.619 5.249 1.00 0.00 N ATOM 566 CA VAL A 35 -2.065 4.390 6.177 1.00 0.00 C ATOM 567 C VAL A 35 -2.552 4.410 7.622 1.00 0.00 C ATOM 568 O VAL A 35 -2.672 5.472 8.231 1.00 0.00 O ATOM 569 CB VAL A 35 -0.957 5.445 6.005 1.00 0.00 C ATOM 570 CG1 VAL A 35 0.215 5.145 6.928 1.00 0.00 C ATOM 571 CG2 VAL A 35 -0.502 5.508 4.555 1.00 0.00 C ATOM 0 H VAL A 35 -3.287 5.593 4.970 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.657 3.406 5.948 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.362 6.420 6.277 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.988 5.901 6.792 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.125 5.156 7.963 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.623 4.163 6.690 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.281 6.259 4.452 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.114 4.535 4.253 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.347 5.775 3.920 1.00 0.00 H new ATOM 581 N GLU A 36 -2.829 3.228 8.164 1.00 0.00 N ATOM 582 CA GLU A 36 -3.303 3.111 9.538 1.00 0.00 C ATOM 583 C GLU A 36 -2.289 3.700 10.515 1.00 0.00 C ATOM 584 O GLU A 36 -1.300 3.057 10.864 1.00 0.00 O ATOM 585 CB GLU A 36 -3.569 1.645 9.886 1.00 0.00 C ATOM 586 CG GLU A 36 -3.576 1.365 11.379 1.00 0.00 C ATOM 587 CD GLU A 36 -4.024 -0.046 11.706 1.00 0.00 C ATOM 588 OE1 GLU A 36 -3.218 -0.982 11.522 1.00 0.00 O ATOM 589 OE2 GLU A 36 -5.181 -0.215 12.147 1.00 0.00 O ATOM 0 H GLU A 36 -2.733 2.339 7.673 1.00 0.00 H new ATOM 0 HA GLU A 36 -4.233 3.672 9.623 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -4.530 1.349 9.465 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -2.809 1.024 9.412 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -2.575 1.526 11.780 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -4.237 2.076 11.875 1.00 0.00 H new ATOM 596 N GLY A 37 -2.544 4.930 10.953 1.00 0.00 N ATOM 597 CA GLY A 37 -1.646 5.587 11.884 1.00 0.00 C ATOM 598 C GLY A 37 -1.527 7.075 11.624 1.00 0.00 C ATOM 599 O GLY A 37 -1.564 7.881 12.555 1.00 0.00 O ATOM 0 H GLY A 37 -3.357 5.482 10.679 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -2.002 5.427 12.902 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.659 5.130 11.816 1.00 0.00 H new ATOM 603 N HIS A 38 -1.383 7.443 10.354 1.00 0.00 N ATOM 604 CA HIS A 38 -1.257 8.845 9.974 1.00 0.00 C ATOM 605 C HIS A 38 -2.499 9.318 9.224 1.00 0.00 C ATOM 606 O HIS A 38 -3.362 9.987 9.792 1.00 0.00 O ATOM 607 CB HIS A 38 -0.015 9.051 9.107 1.00 0.00 C ATOM 608 CG HIS A 38 1.271 8.827 9.841 1.00 0.00 C ATOM 609 ND1 HIS A 38 2.505 9.143 9.312 1.00 0.00 N ATOM 610 CD2 HIS A 38 1.511 8.316 11.072 1.00 0.00 C ATOM 611 CE1 HIS A 38 3.448 8.834 10.184 1.00 0.00 C ATOM 612 NE2 HIS A 38 2.871 8.331 11.261 1.00 0.00 N ATOM 0 H HIS A 38 -1.351 6.789 9.572 1.00 0.00 H new ATOM 0 HA HIS A 38 -1.157 9.435 10.885 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -0.060 8.373 8.255 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -0.024 10.065 8.708 1.00 0.00 H new ATOM 0 HD2 HIS A 38 0.771 7.963 11.774 1.00 0.00 H new ATOM 0 HE1 HIS A 38 4.510 8.969 10.041 1.00 0.00 H new ATOM 0 HE2 HIS A 38 3.357 8.007 12.097 1.00 0.00 H new ATOM 620 N GLY A 39 -2.582 8.966 7.945 1.00 0.00 N ATOM 621 CA GLY A 39 -3.721 9.364 7.138 1.00 0.00 C ATOM 622 C GLY A 39 -3.867 8.523 5.886 1.00 0.00 C ATOM 623 O GLY A 39 -3.076 7.610 5.648 1.00 0.00 O ATOM 0 H GLY A 39 -1.881 8.412 7.453 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -4.630 9.284 7.734 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -3.615 10.412 6.858 1.00 0.00 H new ATOM 627 N TRP A 40 -4.881 8.829 5.084 1.00 0.00 N ATOM 628 CA TRP A 40 -5.128 8.093 3.850 1.00 0.00 C ATOM 629 C TRP A 40 -4.173 8.540 2.749 1.00 0.00 C ATOM 630 O TRP A 40 -4.107 9.723 2.414 1.00 0.00 O ATOM 631 CB TRP A 40 -6.576 8.289 3.397 1.00 0.00 C ATOM 632 CG TRP A 40 -7.529 7.313 4.018 1.00 0.00 C ATOM 633 CD1 TRP A 40 -8.012 7.339 5.295 1.00 0.00 C ATOM 634 CD2 TRP A 40 -8.114 6.168 3.388 1.00 0.00 C ATOM 635 NE1 TRP A 40 -8.861 6.278 5.498 1.00 0.00 N ATOM 636 CE2 TRP A 40 -8.941 5.545 4.343 1.00 0.00 C ATOM 637 CE3 TRP A 40 -8.021 5.609 2.111 1.00 0.00 C ATOM 638 CZ2 TRP A 40 -9.668 4.392 4.059 1.00 0.00 C ATOM 639 CZ3 TRP A 40 -8.742 4.464 1.831 1.00 0.00 C ATOM 640 CH2 TRP A 40 -9.558 3.866 2.801 1.00 0.00 C ATOM 0 H TRP A 40 -5.545 9.582 5.266 1.00 0.00 H new ATOM 0 HA TRP A 40 -4.956 7.035 4.046 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -6.893 9.302 3.644 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -6.626 8.195 2.312 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -7.763 8.084 6.036 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -9.352 6.070 6.367 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -7.397 6.064 1.356 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -10.297 3.929 4.805 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -8.676 4.022 0.848 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -10.111 2.973 2.550 1.00 0.00 H new ATOM 651 N ARG A 41 -3.435 7.588 2.188 1.00 0.00 N ATOM 652 CA ARG A 41 -2.483 7.885 1.125 1.00 0.00 C ATOM 653 C ARG A 41 -2.953 7.301 -0.205 1.00 0.00 C ATOM 654 O ARG A 41 -3.749 6.363 -0.235 1.00 0.00 O ATOM 655 CB ARG A 41 -1.102 7.329 1.478 1.00 0.00 C ATOM 656 CG ARG A 41 -0.321 8.207 2.442 1.00 0.00 C ATOM 657 CD ARG A 41 0.208 9.456 1.755 1.00 0.00 C ATOM 658 NE ARG A 41 0.673 10.453 2.715 1.00 0.00 N ATOM 659 CZ ARG A 41 0.858 11.734 2.413 1.00 0.00 C ATOM 660 NH1 ARG A 41 0.619 12.170 1.184 1.00 0.00 N ATOM 661 NH2 ARG A 41 1.284 12.581 3.342 1.00 0.00 N ATOM 0 H ARG A 41 -3.478 6.604 2.452 1.00 0.00 H new ATOM 0 HA ARG A 41 -2.416 8.968 1.024 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -1.220 6.338 1.916 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -0.524 7.206 0.562 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -0.962 8.493 3.276 1.00 0.00 H new ATOM 0 HG3 ARG A 41 0.511 7.640 2.859 1.00 0.00 H new ATOM 0 HD2 ARG A 41 1.027 9.184 1.089 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -0.577 9.889 1.135 1.00 0.00 H new ATOM 0 HE ARG A 41 0.866 10.150 3.670 1.00 0.00 H new ATOM 0 HH11 ARG A 41 0.292 11.522 0.467 1.00 0.00 H new ATOM 0 HH12 ARG A 41 0.762 13.154 0.955 1.00 0.00 H new ATOM 0 HH21 ARG A 41 1.470 12.249 4.288 1.00 0.00 H new ATOM 0 HH22 ARG A 41 1.426 13.564 3.109 1.00 0.00 H new ATOM 675 N ALA A 42 -2.455 7.863 -1.301 1.00 0.00 N ATOM 676 CA ALA A 42 -2.822 7.398 -2.633 1.00 0.00 C ATOM 677 C ALA A 42 -1.677 6.626 -3.280 1.00 0.00 C ATOM 678 O ALA A 42 -0.509 6.842 -2.956 1.00 0.00 O ATOM 679 CB ALA A 42 -3.230 8.574 -3.508 1.00 0.00 C ATOM 0 H ALA A 42 -1.796 8.641 -1.293 1.00 0.00 H new ATOM 0 HA ALA A 42 -3.671 6.721 -2.534 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -3.502 8.213 -4.500 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -4.084 9.081 -3.060 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -2.397 9.272 -3.592 1.00 0.00 H new ATOM 685 N ILE A 43 -2.020 5.725 -4.194 1.00 0.00 N ATOM 686 CA ILE A 43 -1.020 4.921 -4.886 1.00 0.00 C ATOM 687 C ILE A 43 -0.612 5.568 -6.205 1.00 0.00 C ATOM 688 O ILE A 43 -1.461 5.996 -6.986 1.00 0.00 O ATOM 689 CB ILE A 43 -1.537 3.497 -5.164 1.00 0.00 C ATOM 690 CG1 ILE A 43 -1.834 2.774 -3.849 1.00 0.00 C ATOM 691 CG2 ILE A 43 -0.522 2.717 -5.986 1.00 0.00 C ATOM 692 CD1 ILE A 43 -2.118 1.298 -4.022 1.00 0.00 C ATOM 0 H ILE A 43 -2.982 5.533 -4.473 1.00 0.00 H new ATOM 0 HA ILE A 43 -0.152 4.862 -4.229 1.00 0.00 H new ATOM 0 HB ILE A 43 -2.462 3.567 -5.736 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -0.985 2.896 -3.177 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -2.691 3.247 -3.369 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -0.901 1.713 -6.175 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -0.354 3.226 -6.935 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.418 2.653 -5.438 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -2.320 0.850 -3.049 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -2.986 1.168 -4.669 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -1.253 0.812 -4.473 1.00 0.00 H new ATOM 704 N GLU A 44 0.694 5.633 -6.447 1.00 0.00 N ATOM 705 CA GLU A 44 1.214 6.227 -7.673 1.00 0.00 C ATOM 706 C GLU A 44 1.817 5.159 -8.581 1.00 0.00 C ATOM 707 O GLU A 44 1.601 5.166 -9.793 1.00 0.00 O ATOM 708 CB GLU A 44 2.267 7.288 -7.345 1.00 0.00 C ATOM 709 CG GLU A 44 1.729 8.445 -6.519 1.00 0.00 C ATOM 710 CD GLU A 44 1.124 9.540 -7.375 1.00 0.00 C ATOM 711 OE1 GLU A 44 0.249 9.227 -8.209 1.00 0.00 O ATOM 712 OE2 GLU A 44 1.525 10.711 -7.210 1.00 0.00 O ATOM 0 H GLU A 44 1.410 5.282 -5.811 1.00 0.00 H new ATOM 0 HA GLU A 44 0.384 6.700 -8.198 1.00 0.00 H new ATOM 0 HB2 GLU A 44 3.088 6.818 -6.804 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.680 7.678 -8.275 1.00 0.00 H new ATOM 0 HG2 GLU A 44 0.975 8.072 -5.826 1.00 0.00 H new ATOM 0 HG3 GLU A 44 2.536 8.863 -5.917 1.00 0.00 H new ATOM 719 N ASP A 45 2.575 4.245 -7.986 1.00 0.00 N ATOM 720 CA ASP A 45 3.210 3.170 -8.740 1.00 0.00 C ATOM 721 C ASP A 45 3.540 1.990 -7.831 1.00 0.00 C ATOM 722 O ASP A 45 4.027 2.170 -6.714 1.00 0.00 O ATOM 723 CB ASP A 45 4.483 3.678 -9.420 1.00 0.00 C ATOM 724 CG ASP A 45 4.188 4.508 -10.654 1.00 0.00 C ATOM 725 OD1 ASP A 45 3.302 4.110 -11.440 1.00 0.00 O ATOM 726 OD2 ASP A 45 4.843 5.556 -10.834 1.00 0.00 O ATOM 0 H ASP A 45 2.765 4.227 -6.984 1.00 0.00 H new ATOM 0 HA ASP A 45 2.510 2.832 -9.504 1.00 0.00 H new ATOM 0 HB2 ASP A 45 5.056 4.276 -8.712 1.00 0.00 H new ATOM 0 HB3 ASP A 45 5.107 2.829 -9.698 1.00 0.00 H new ATOM 731 N LEU A 46 3.272 0.783 -8.317 1.00 0.00 N ATOM 732 CA LEU A 46 3.539 -0.427 -7.548 1.00 0.00 C ATOM 733 C LEU A 46 3.726 -1.628 -8.470 1.00 0.00 C ATOM 734 O LEU A 46 3.207 -1.653 -9.586 1.00 0.00 O ATOM 735 CB LEU A 46 2.396 -0.696 -6.568 1.00 0.00 C ATOM 736 CG LEU A 46 1.136 -1.325 -7.163 1.00 0.00 C ATOM 737 CD1 LEU A 46 1.334 -2.818 -7.376 1.00 0.00 C ATOM 738 CD2 LEU A 46 -0.065 -1.068 -6.264 1.00 0.00 C ATOM 0 H LEU A 46 2.870 0.616 -9.240 1.00 0.00 H new ATOM 0 HA LEU A 46 4.461 -0.275 -6.987 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.767 -1.350 -5.779 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.119 0.247 -6.096 1.00 0.00 H new ATOM 0 HG LEU A 46 0.945 -0.862 -8.131 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.427 -3.248 -7.800 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.167 -2.981 -8.060 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.550 -3.296 -6.421 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -0.953 -1.523 -6.704 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.117 -1.503 -5.281 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.220 0.006 -6.163 1.00 0.00 H new ATOM 750 N TYR A 47 4.470 -2.621 -7.996 1.00 0.00 N ATOM 751 CA TYR A 47 4.726 -3.825 -8.778 1.00 0.00 C ATOM 752 C TYR A 47 5.201 -4.965 -7.883 1.00 0.00 C ATOM 753 O TYR A 47 5.952 -4.751 -6.932 1.00 0.00 O ATOM 754 CB TYR A 47 5.769 -3.543 -9.861 1.00 0.00 C ATOM 755 CG TYR A 47 6.850 -2.581 -9.424 1.00 0.00 C ATOM 756 CD1 TYR A 47 7.810 -2.958 -8.493 1.00 0.00 C ATOM 757 CD2 TYR A 47 6.912 -1.293 -9.943 1.00 0.00 C ATOM 758 CE1 TYR A 47 8.799 -2.082 -8.091 1.00 0.00 C ATOM 759 CE2 TYR A 47 7.898 -0.410 -9.547 1.00 0.00 C ATOM 760 CZ TYR A 47 8.839 -0.809 -8.621 1.00 0.00 C ATOM 761 OH TYR A 47 9.823 0.067 -8.224 1.00 0.00 O ATOM 0 H TYR A 47 4.906 -2.616 -7.074 1.00 0.00 H new ATOM 0 HA TYR A 47 3.792 -4.125 -9.252 1.00 0.00 H new ATOM 0 HB2 TYR A 47 6.231 -4.483 -10.162 1.00 0.00 H new ATOM 0 HB3 TYR A 47 5.268 -3.138 -10.740 1.00 0.00 H new ATOM 0 HD1 TYR A 47 7.782 -3.954 -8.076 1.00 0.00 H new ATOM 0 HD2 TYR A 47 6.177 -0.977 -10.668 1.00 0.00 H new ATOM 0 HE1 TYR A 47 9.537 -2.392 -7.366 1.00 0.00 H new ATOM 0 HE2 TYR A 47 7.932 0.587 -9.960 1.00 0.00 H new ATOM 0 HH TYR A 47 9.471 0.662 -7.529 1.00 0.00 H new ATOM 771 N ARG A 48 4.757 -6.178 -8.195 1.00 0.00 N ATOM 772 CA ARG A 48 5.135 -7.354 -7.420 1.00 0.00 C ATOM 773 C ARG A 48 6.549 -7.807 -7.774 1.00 0.00 C ATOM 774 O ARG A 48 6.760 -8.495 -8.773 1.00 0.00 O ATOM 775 CB ARG A 48 4.146 -8.494 -7.667 1.00 0.00 C ATOM 776 CG ARG A 48 4.116 -8.973 -9.109 1.00 0.00 C ATOM 777 CD ARG A 48 2.741 -9.495 -9.494 1.00 0.00 C ATOM 778 NE ARG A 48 2.541 -9.495 -10.941 1.00 0.00 N ATOM 779 CZ ARG A 48 2.146 -8.429 -11.628 1.00 0.00 C ATOM 780 NH1 ARG A 48 1.910 -7.284 -11.004 1.00 0.00 N ATOM 781 NH2 ARG A 48 1.986 -8.508 -12.943 1.00 0.00 N ATOM 0 H ARG A 48 4.135 -6.372 -8.979 1.00 0.00 H new ATOM 0 HA ARG A 48 5.112 -7.085 -6.364 1.00 0.00 H new ATOM 0 HB2 ARG A 48 4.402 -9.333 -7.020 1.00 0.00 H new ATOM 0 HB3 ARG A 48 3.147 -8.165 -7.382 1.00 0.00 H new ATOM 0 HG2 ARG A 48 4.394 -8.153 -9.772 1.00 0.00 H new ATOM 0 HG3 ARG A 48 4.857 -9.760 -9.248 1.00 0.00 H new ATOM 0 HD2 ARG A 48 2.618 -10.508 -9.111 1.00 0.00 H new ATOM 0 HD3 ARG A 48 1.975 -8.880 -9.022 1.00 0.00 H new ATOM 0 HE ARG A 48 2.714 -10.361 -11.452 1.00 0.00 H new ATOM 0 HH11 ARG A 48 2.032 -7.219 -9.993 1.00 0.00 H new ATOM 0 HH12 ARG A 48 1.607 -6.467 -11.534 1.00 0.00 H new ATOM 0 HH21 ARG A 48 2.166 -9.388 -13.427 1.00 0.00 H new ATOM 0 HH22 ARG A 48 1.683 -7.689 -13.470 1.00 0.00 H new ATOM 795 N VAL A 49 7.514 -7.415 -6.949 1.00 0.00 N ATOM 796 CA VAL A 49 8.908 -7.780 -7.174 1.00 0.00 C ATOM 797 C VAL A 49 9.186 -9.203 -6.702 1.00 0.00 C ATOM 798 O VAL A 49 9.281 -9.464 -5.504 1.00 0.00 O ATOM 799 CB VAL A 49 9.865 -6.815 -6.450 1.00 0.00 C ATOM 800 CG1 VAL A 49 11.313 -7.199 -6.717 1.00 0.00 C ATOM 801 CG2 VAL A 49 9.598 -5.380 -6.876 1.00 0.00 C ATOM 0 H VAL A 49 7.356 -6.844 -6.118 1.00 0.00 H new ATOM 0 HA VAL A 49 9.083 -7.715 -8.248 1.00 0.00 H new ATOM 0 HB VAL A 49 9.686 -6.890 -5.377 1.00 0.00 H new ATOM 0 HG11 VAL A 49 11.975 -6.506 -6.197 1.00 0.00 H new ATOM 0 HG12 VAL A 49 11.493 -8.212 -6.357 1.00 0.00 H new ATOM 0 HG13 VAL A 49 11.510 -7.154 -7.788 1.00 0.00 H new ATOM 0 HG21 VAL A 49 10.283 -4.712 -6.354 1.00 0.00 H new ATOM 0 HG22 VAL A 49 9.748 -5.286 -7.952 1.00 0.00 H new ATOM 0 HG23 VAL A 49 8.571 -5.112 -6.628 1.00 0.00 H new ATOM 811 N GLY A 50 9.315 -10.122 -7.655 1.00 0.00 N ATOM 812 CA GLY A 50 9.582 -11.508 -7.318 1.00 0.00 C ATOM 813 C GLY A 50 8.501 -12.109 -6.441 1.00 0.00 C ATOM 814 O GLY A 50 7.421 -12.451 -6.924 1.00 0.00 O ATOM 0 H GLY A 50 9.239 -9.931 -8.654 1.00 0.00 H new ATOM 0 HA2 GLY A 50 9.668 -12.092 -8.235 1.00 0.00 H new ATOM 0 HA3 GLY A 50 10.541 -11.576 -6.805 1.00 0.00 H new ATOM 818 N GLU A 51 8.792 -12.240 -5.151 1.00 0.00 N ATOM 819 CA GLU A 51 7.836 -12.807 -4.207 1.00 0.00 C ATOM 820 C GLU A 51 7.366 -11.752 -3.209 1.00 0.00 C ATOM 821 O GLU A 51 7.016 -12.070 -2.073 1.00 0.00 O ATOM 822 CB GLU A 51 8.462 -13.987 -3.460 1.00 0.00 C ATOM 823 CG GLU A 51 8.826 -15.154 -4.363 1.00 0.00 C ATOM 824 CD GLU A 51 9.370 -16.341 -3.591 1.00 0.00 C ATOM 825 OE1 GLU A 51 10.433 -16.197 -2.953 1.00 0.00 O ATOM 826 OE2 GLU A 51 8.731 -17.413 -3.626 1.00 0.00 O ATOM 0 H GLU A 51 9.681 -11.962 -4.736 1.00 0.00 H new ATOM 0 HA GLU A 51 6.973 -13.160 -4.771 1.00 0.00 H new ATOM 0 HB2 GLU A 51 9.359 -13.645 -2.943 1.00 0.00 H new ATOM 0 HB3 GLU A 51 7.766 -14.333 -2.696 1.00 0.00 H new ATOM 0 HG2 GLU A 51 7.944 -15.463 -4.924 1.00 0.00 H new ATOM 0 HG3 GLU A 51 9.569 -14.827 -5.091 1.00 0.00 H new ATOM 833 N GLU A 52 7.361 -10.496 -3.644 1.00 0.00 N ATOM 834 CA GLU A 52 6.935 -9.394 -2.789 1.00 0.00 C ATOM 835 C GLU A 52 6.330 -8.265 -3.617 1.00 0.00 C ATOM 836 O GLU A 52 6.298 -8.330 -4.847 1.00 0.00 O ATOM 837 CB GLU A 52 8.117 -8.866 -1.973 1.00 0.00 C ATOM 838 CG GLU A 52 8.786 -9.926 -1.114 1.00 0.00 C ATOM 839 CD GLU A 52 9.698 -9.331 -0.058 1.00 0.00 C ATOM 840 OE1 GLU A 52 10.885 -9.095 -0.366 1.00 0.00 O ATOM 841 OE2 GLU A 52 9.225 -9.102 1.074 1.00 0.00 O ATOM 0 H GLU A 52 7.647 -10.216 -4.582 1.00 0.00 H new ATOM 0 HA GLU A 52 6.172 -9.771 -2.108 1.00 0.00 H new ATOM 0 HB2 GLU A 52 8.856 -8.442 -2.653 1.00 0.00 H new ATOM 0 HB3 GLU A 52 7.771 -8.055 -1.331 1.00 0.00 H new ATOM 0 HG2 GLU A 52 8.020 -10.531 -0.628 1.00 0.00 H new ATOM 0 HG3 GLU A 52 9.363 -10.595 -1.753 1.00 0.00 H new ATOM 848 N LEU A 53 5.849 -7.231 -2.935 1.00 0.00 N ATOM 849 CA LEU A 53 5.244 -6.086 -3.607 1.00 0.00 C ATOM 850 C LEU A 53 5.782 -4.776 -3.042 1.00 0.00 C ATOM 851 O LEU A 53 5.990 -4.646 -1.835 1.00 0.00 O ATOM 852 CB LEU A 53 3.722 -6.131 -3.461 1.00 0.00 C ATOM 853 CG LEU A 53 2.959 -6.824 -4.591 1.00 0.00 C ATOM 854 CD1 LEU A 53 1.699 -7.487 -4.056 1.00 0.00 C ATOM 855 CD2 LEU A 53 2.616 -5.831 -5.691 1.00 0.00 C ATOM 0 H LEU A 53 5.866 -7.162 -1.917 1.00 0.00 H new ATOM 0 HA LEU A 53 5.504 -6.137 -4.664 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.482 -6.635 -2.525 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.355 -5.108 -3.376 1.00 0.00 H new ATOM 0 HG LEU A 53 3.600 -7.597 -5.015 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.169 -7.975 -4.874 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.969 -8.229 -3.305 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.054 -6.733 -3.605 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.073 -6.342 -6.486 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.995 -5.035 -5.281 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.534 -5.404 -6.095 1.00 0.00 H new ATOM 867 N VAL A 54 6.004 -3.804 -3.922 1.00 0.00 N ATOM 868 CA VAL A 54 6.515 -2.502 -3.511 1.00 0.00 C ATOM 869 C VAL A 54 5.595 -1.379 -3.977 1.00 0.00 C ATOM 870 O VAL A 54 5.599 -1.006 -5.150 1.00 0.00 O ATOM 871 CB VAL A 54 7.931 -2.254 -4.064 1.00 0.00 C ATOM 872 CG1 VAL A 54 8.440 -0.886 -3.636 1.00 0.00 C ATOM 873 CG2 VAL A 54 8.880 -3.352 -3.608 1.00 0.00 C ATOM 0 H VAL A 54 5.838 -3.894 -4.924 1.00 0.00 H new ATOM 0 HA VAL A 54 6.555 -2.507 -2.422 1.00 0.00 H new ATOM 0 HB VAL A 54 7.886 -2.273 -5.153 1.00 0.00 H new ATOM 0 HG11 VAL A 54 9.442 -0.729 -4.036 1.00 0.00 H new ATOM 0 HG12 VAL A 54 7.772 -0.114 -4.017 1.00 0.00 H new ATOM 0 HG13 VAL A 54 8.472 -0.834 -2.548 1.00 0.00 H new ATOM 0 HG21 VAL A 54 9.876 -3.161 -4.008 1.00 0.00 H new ATOM 0 HG22 VAL A 54 8.923 -3.367 -2.519 1.00 0.00 H new ATOM 0 HG23 VAL A 54 8.522 -4.316 -3.970 1.00 0.00 H new ATOM 883 N VAL A 55 4.808 -0.843 -3.050 1.00 0.00 N ATOM 884 CA VAL A 55 3.884 0.240 -3.364 1.00 0.00 C ATOM 885 C VAL A 55 4.512 1.599 -3.081 1.00 0.00 C ATOM 886 O VAL A 55 5.108 1.812 -2.024 1.00 0.00 O ATOM 887 CB VAL A 55 2.576 0.113 -2.560 1.00 0.00 C ATOM 888 CG1 VAL A 55 1.728 1.365 -2.719 1.00 0.00 C ATOM 889 CG2 VAL A 55 1.803 -1.123 -2.993 1.00 0.00 C ATOM 0 H VAL A 55 4.792 -1.141 -2.075 1.00 0.00 H new ATOM 0 HA VAL A 55 3.657 0.163 -4.427 1.00 0.00 H new ATOM 0 HB VAL A 55 2.827 0.005 -1.505 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.808 1.257 -2.144 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.284 2.229 -2.356 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.483 1.507 -3.772 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.882 -1.197 -2.415 1.00 0.00 H new ATOM 0 HG22 VAL A 55 1.561 -1.048 -4.053 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.411 -2.011 -2.822 1.00 0.00 H new ATOM 899 N HIS A 56 4.375 2.518 -4.031 1.00 0.00 N ATOM 900 CA HIS A 56 4.929 3.860 -3.883 1.00 0.00 C ATOM 901 C HIS A 56 3.828 4.872 -3.581 1.00 0.00 C ATOM 902 O HIS A 56 3.085 5.282 -4.473 1.00 0.00 O ATOM 903 CB HIS A 56 5.678 4.268 -5.152 1.00 0.00 C ATOM 904 CG HIS A 56 6.974 3.541 -5.342 1.00 0.00 C ATOM 905 ND1 HIS A 56 8.204 4.125 -5.120 1.00 0.00 N ATOM 906 CD2 HIS A 56 7.228 2.271 -5.734 1.00 0.00 C ATOM 907 CE1 HIS A 56 9.158 3.245 -5.369 1.00 0.00 C ATOM 908 NE2 HIS A 56 8.592 2.112 -5.743 1.00 0.00 N ATOM 0 H HIS A 56 3.885 2.359 -4.912 1.00 0.00 H new ATOM 0 HA HIS A 56 5.627 3.848 -3.046 1.00 0.00 H new ATOM 0 HB2 HIS A 56 5.039 4.086 -6.016 1.00 0.00 H new ATOM 0 HB3 HIS A 56 5.873 5.340 -5.120 1.00 0.00 H new ATOM 0 HD1 HIS A 56 8.354 5.086 -4.812 1.00 0.00 H new ATOM 0 HD2 HIS A 56 6.494 1.522 -5.992 1.00 0.00 H new ATOM 0 HE1 HIS A 56 10.220 3.422 -5.282 1.00 0.00 H new ATOM 916 N LEU A 57 3.729 5.270 -2.317 1.00 0.00 N ATOM 917 CA LEU A 57 2.718 6.234 -1.896 1.00 0.00 C ATOM 918 C LEU A 57 3.038 7.627 -2.430 1.00 0.00 C ATOM 919 O LEU A 57 4.202 7.976 -2.624 1.00 0.00 O ATOM 920 CB LEU A 57 2.623 6.270 -0.370 1.00 0.00 C ATOM 921 CG LEU A 57 2.258 4.950 0.311 1.00 0.00 C ATOM 922 CD1 LEU A 57 2.364 5.082 1.822 1.00 0.00 C ATOM 923 CD2 LEU A 57 0.857 4.513 -0.091 1.00 0.00 C ATOM 0 H LEU A 57 4.336 4.940 -1.566 1.00 0.00 H new ATOM 0 HA LEU A 57 1.758 5.919 -2.306 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.581 6.607 0.026 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.881 7.018 -0.090 1.00 0.00 H new ATOM 0 HG LEU A 57 2.964 4.186 -0.017 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.101 4.133 2.289 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.385 5.349 2.093 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.682 5.859 2.168 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.614 3.572 0.403 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.138 5.276 0.208 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.814 4.377 -1.172 1.00 0.00 H new ATOM 935 N ALA A 58 1.996 8.419 -2.664 1.00 0.00 N ATOM 936 CA ALA A 58 2.167 9.775 -3.171 1.00 0.00 C ATOM 937 C ALA A 58 2.857 10.663 -2.142 1.00 0.00 C ATOM 938 O ALA A 58 2.439 10.733 -0.987 1.00 0.00 O ATOM 939 CB ALA A 58 0.820 10.365 -3.561 1.00 0.00 C ATOM 0 H ALA A 58 1.026 8.145 -2.511 1.00 0.00 H new ATOM 0 HA ALA A 58 2.802 9.729 -4.056 1.00 0.00 H new ATOM 0 HB1 ALA A 58 0.962 11.378 -3.938 1.00 0.00 H new ATOM 0 HB2 ALA A 58 0.364 9.750 -4.337 1.00 0.00 H new ATOM 0 HB3 ALA A 58 0.168 10.391 -2.688 1.00 0.00 H new ATOM 945 N GLY A 59 3.919 11.340 -2.569 1.00 0.00 N ATOM 946 CA GLY A 59 4.651 12.215 -1.671 1.00 0.00 C ATOM 947 C GLY A 59 5.938 11.588 -1.173 1.00 0.00 C ATOM 948 O GLY A 59 6.954 12.268 -1.031 1.00 0.00 O ATOM 0 H GLY A 59 4.285 11.298 -3.520 1.00 0.00 H new ATOM 0 HA2 GLY A 59 4.880 13.149 -2.185 1.00 0.00 H new ATOM 0 HA3 GLY A 59 4.020 12.467 -0.819 1.00 0.00 H new ATOM 952 N VAL A 60 5.896 10.286 -0.906 1.00 0.00 N ATOM 953 CA VAL A 60 7.068 9.567 -0.420 1.00 0.00 C ATOM 954 C VAL A 60 8.065 9.317 -1.546 1.00 0.00 C ATOM 955 O VAL A 60 7.883 8.412 -2.361 1.00 0.00 O ATOM 956 CB VAL A 60 6.676 8.219 0.214 1.00 0.00 C ATOM 957 CG1 VAL A 60 7.913 7.478 0.700 1.00 0.00 C ATOM 958 CG2 VAL A 60 5.691 8.433 1.353 1.00 0.00 C ATOM 0 H VAL A 60 5.063 9.708 -1.018 1.00 0.00 H new ATOM 0 HA VAL A 60 7.533 10.195 0.340 1.00 0.00 H new ATOM 0 HB VAL A 60 6.190 7.607 -0.546 1.00 0.00 H new ATOM 0 HG11 VAL A 60 7.617 6.528 1.145 1.00 0.00 H new ATOM 0 HG12 VAL A 60 8.580 7.292 -0.142 1.00 0.00 H new ATOM 0 HG13 VAL A 60 8.430 8.082 1.446 1.00 0.00 H new ATOM 0 HG21 VAL A 60 5.425 7.470 1.789 1.00 0.00 H new ATOM 0 HG22 VAL A 60 6.148 9.063 2.116 1.00 0.00 H new ATOM 0 HG23 VAL A 60 4.793 8.919 0.971 1.00 0.00 H new ATOM 968 N THR A 61 9.120 10.124 -1.585 1.00 0.00 N ATOM 969 CA THR A 61 10.146 9.991 -2.611 1.00 0.00 C ATOM 970 C THR A 61 11.530 9.847 -1.989 1.00 0.00 C ATOM 971 O THR A 61 12.543 9.878 -2.690 1.00 0.00 O ATOM 972 CB THR A 61 10.148 11.201 -3.565 1.00 0.00 C ATOM 973 OG1 THR A 61 10.367 12.407 -2.825 1.00 0.00 O ATOM 974 CG2 THR A 61 8.831 11.295 -4.321 1.00 0.00 C ATOM 0 H THR A 61 9.286 10.877 -0.917 1.00 0.00 H new ATOM 0 HA THR A 61 9.910 9.091 -3.179 1.00 0.00 H new ATOM 0 HB THR A 61 10.954 11.067 -4.286 1.00 0.00 H new ATOM 0 HG1 THR A 61 10.369 13.171 -3.438 1.00 0.00 H new ATOM 0 HG21 THR A 61 8.855 12.156 -4.988 1.00 0.00 H new ATOM 0 HG22 THR A 61 8.681 10.387 -4.906 1.00 0.00 H new ATOM 0 HG23 THR A 61 8.011 11.409 -3.611 1.00 0.00 H new ATOM 982 N ASP A 62 11.568 9.688 -0.671 1.00 0.00 N ATOM 983 CA ASP A 62 12.829 9.537 0.046 1.00 0.00 C ATOM 984 C ASP A 62 12.726 8.441 1.102 1.00 0.00 C ATOM 985 O ASP A 62 11.644 8.163 1.619 1.00 0.00 O ATOM 986 CB ASP A 62 13.228 10.859 0.702 1.00 0.00 C ATOM 987 CG ASP A 62 12.043 11.588 1.304 1.00 0.00 C ATOM 988 OD1 ASP A 62 11.426 11.044 2.244 1.00 0.00 O ATOM 989 OD2 ASP A 62 11.732 12.703 0.835 1.00 0.00 O ATOM 0 H ASP A 62 10.739 9.660 -0.077 1.00 0.00 H new ATOM 0 HA ASP A 62 13.596 9.251 -0.674 1.00 0.00 H new ATOM 0 HB2 ASP A 62 13.966 10.667 1.481 1.00 0.00 H new ATOM 0 HB3 ASP A 62 13.706 11.499 -0.039 1.00 0.00 H new ATOM 994 N ARG A 63 13.859 7.821 1.416 1.00 0.00 N ATOM 995 CA ARG A 63 13.895 6.754 2.409 1.00 0.00 C ATOM 996 C ARG A 63 13.284 7.217 3.728 1.00 0.00 C ATOM 997 O ARG A 63 12.628 6.443 4.427 1.00 0.00 O ATOM 998 CB ARG A 63 15.335 6.290 2.637 1.00 0.00 C ATOM 999 CG ARG A 63 15.442 4.859 3.139 1.00 0.00 C ATOM 1000 CD ARG A 63 16.857 4.530 3.586 1.00 0.00 C ATOM 1001 NE ARG A 63 16.885 3.441 4.559 1.00 0.00 N ATOM 1002 CZ ARG A 63 16.760 2.160 4.231 1.00 0.00 C ATOM 1003 NH1 ARG A 63 16.601 1.808 2.963 1.00 0.00 N ATOM 1004 NH2 ARG A 63 16.795 1.226 5.174 1.00 0.00 N ATOM 0 H ARG A 63 14.763 8.039 0.998 1.00 0.00 H new ATOM 0 HA ARG A 63 13.306 5.919 2.030 1.00 0.00 H new ATOM 0 HB2 ARG A 63 15.889 6.381 1.703 1.00 0.00 H new ATOM 0 HB3 ARG A 63 15.812 6.955 3.357 1.00 0.00 H new ATOM 0 HG2 ARG A 63 14.753 4.712 3.971 1.00 0.00 H new ATOM 0 HG3 ARG A 63 15.140 4.172 2.349 1.00 0.00 H new ATOM 0 HD2 ARG A 63 17.457 4.256 2.718 1.00 0.00 H new ATOM 0 HD3 ARG A 63 17.315 5.418 4.022 1.00 0.00 H new ATOM 0 HE ARG A 63 17.007 3.677 5.544 1.00 0.00 H new ATOM 0 HH11 ARG A 63 16.574 2.522 2.235 1.00 0.00 H new ATOM 0 HH12 ARG A 63 16.505 0.823 2.715 1.00 0.00 H new ATOM 0 HH21 ARG A 63 16.918 1.492 6.151 1.00 0.00 H new ATOM 0 HH22 ARG A 63 16.699 0.242 4.921 1.00 0.00 H new ATOM 1018 N THR A 64 13.503 8.484 4.064 1.00 0.00 N ATOM 1019 CA THR A 64 12.976 9.050 5.299 1.00 0.00 C ATOM 1020 C THR A 64 11.456 8.951 5.344 1.00 0.00 C ATOM 1021 O THR A 64 10.896 8.195 6.138 1.00 0.00 O ATOM 1022 CB THR A 64 13.388 10.525 5.462 1.00 0.00 C ATOM 1023 OG1 THR A 64 14.816 10.637 5.473 1.00 0.00 O ATOM 1024 CG2 THR A 64 12.819 11.108 6.747 1.00 0.00 C ATOM 0 H THR A 64 14.042 9.138 3.497 1.00 0.00 H new ATOM 0 HA THR A 64 13.400 8.470 6.119 1.00 0.00 H new ATOM 0 HB THR A 64 12.986 11.086 4.618 1.00 0.00 H new ATOM 0 HG1 THR A 64 15.070 11.578 5.575 1.00 0.00 H new ATOM 0 HG21 THR A 64 13.124 12.150 6.840 1.00 0.00 H new ATOM 0 HG22 THR A 64 11.731 11.049 6.723 1.00 0.00 H new ATOM 0 HG23 THR A 64 13.194 10.543 7.600 1.00 0.00 H new ATOM 1032 N LEU A 65 10.792 9.719 4.486 1.00 0.00 N ATOM 1033 CA LEU A 65 9.334 9.717 4.428 1.00 0.00 C ATOM 1034 C LEU A 65 8.790 8.292 4.453 1.00 0.00 C ATOM 1035 O LEU A 65 7.780 8.015 5.099 1.00 0.00 O ATOM 1036 CB LEU A 65 8.854 10.435 3.166 1.00 0.00 C ATOM 1037 CG LEU A 65 8.944 11.962 3.187 1.00 0.00 C ATOM 1038 CD1 LEU A 65 8.644 12.533 1.810 1.00 0.00 C ATOM 1039 CD2 LEU A 65 7.992 12.538 4.225 1.00 0.00 C ATOM 0 H LEU A 65 11.240 10.350 3.822 1.00 0.00 H new ATOM 0 HA LEU A 65 8.959 10.245 5.305 1.00 0.00 H new ATOM 0 HB2 LEU A 65 9.435 10.068 2.320 1.00 0.00 H new ATOM 0 HB3 LEU A 65 7.816 10.155 2.985 1.00 0.00 H new ATOM 0 HG LEU A 65 9.961 12.244 3.461 1.00 0.00 H new ATOM 0 HD11 LEU A 65 8.713 13.620 1.844 1.00 0.00 H new ATOM 0 HD12 LEU A 65 9.366 12.146 1.091 1.00 0.00 H new ATOM 0 HD13 LEU A 65 7.638 12.242 1.507 1.00 0.00 H new ATOM 0 HD21 LEU A 65 8.069 13.625 4.226 1.00 0.00 H new ATOM 0 HD22 LEU A 65 6.970 12.247 3.982 1.00 0.00 H new ATOM 0 HD23 LEU A 65 8.254 12.155 5.211 1.00 0.00 H new ATOM 1051 N ALA A 66 9.469 7.392 3.749 1.00 0.00 N ATOM 1052 CA ALA A 66 9.056 5.995 3.695 1.00 0.00 C ATOM 1053 C ALA A 66 9.171 5.335 5.064 1.00 0.00 C ATOM 1054 O ALA A 66 8.188 4.827 5.602 1.00 0.00 O ATOM 1055 CB ALA A 66 9.889 5.238 2.670 1.00 0.00 C ATOM 0 H ALA A 66 10.307 7.605 3.208 1.00 0.00 H new ATOM 0 HA ALA A 66 8.009 5.963 3.392 1.00 0.00 H new ATOM 0 HB1 ALA A 66 9.570 4.196 2.640 1.00 0.00 H new ATOM 0 HB2 ALA A 66 9.753 5.688 1.687 1.00 0.00 H new ATOM 0 HB3 ALA A 66 10.942 5.287 2.949 1.00 0.00 H new ATOM 1061 N GLU A 67 10.377 5.346 5.622 1.00 0.00 N ATOM 1062 CA GLU A 67 10.619 4.746 6.929 1.00 0.00 C ATOM 1063 C GLU A 67 9.535 5.152 7.923 1.00 0.00 C ATOM 1064 O GLU A 67 9.150 4.369 8.791 1.00 0.00 O ATOM 1065 CB GLU A 67 11.993 5.162 7.459 1.00 0.00 C ATOM 1066 CG GLU A 67 13.136 4.322 6.912 1.00 0.00 C ATOM 1067 CD GLU A 67 14.466 4.657 7.558 1.00 0.00 C ATOM 1068 OE1 GLU A 67 14.733 5.857 7.778 1.00 0.00 O ATOM 1069 OE2 GLU A 67 15.240 3.719 7.843 1.00 0.00 O ATOM 0 H GLU A 67 11.201 5.763 5.190 1.00 0.00 H new ATOM 0 HA GLU A 67 10.595 3.662 6.813 1.00 0.00 H new ATOM 0 HB2 GLU A 67 12.169 6.208 7.207 1.00 0.00 H new ATOM 0 HB3 GLU A 67 11.990 5.092 8.547 1.00 0.00 H new ATOM 0 HG2 GLU A 67 12.915 3.267 7.071 1.00 0.00 H new ATOM 0 HG3 GLU A 67 13.211 4.474 5.835 1.00 0.00 H new ATOM 1076 N ALA A 68 9.047 6.381 7.789 1.00 0.00 N ATOM 1077 CA ALA A 68 8.007 6.890 8.673 1.00 0.00 C ATOM 1078 C ALA A 68 6.727 6.071 8.545 1.00 0.00 C ATOM 1079 O ALA A 68 6.026 5.837 9.530 1.00 0.00 O ATOM 1080 CB ALA A 68 7.729 8.356 8.372 1.00 0.00 C ATOM 0 H ALA A 68 9.356 7.042 7.076 1.00 0.00 H new ATOM 0 HA ALA A 68 8.363 6.801 9.699 1.00 0.00 H new ATOM 0 HB1 ALA A 68 6.950 8.723 9.040 1.00 0.00 H new ATOM 0 HB2 ALA A 68 8.639 8.937 8.522 1.00 0.00 H new ATOM 0 HB3 ALA A 68 7.399 8.459 7.338 1.00 0.00 H new ATOM 1086 N LEU A 69 6.427 5.638 7.325 1.00 0.00 N ATOM 1087 CA LEU A 69 5.231 4.844 7.067 1.00 0.00 C ATOM 1088 C LEU A 69 5.560 3.355 7.038 1.00 0.00 C ATOM 1089 O LEU A 69 4.869 2.568 6.391 1.00 0.00 O ATOM 1090 CB LEU A 69 4.593 5.264 5.742 1.00 0.00 C ATOM 1091 CG LEU A 69 4.050 6.692 5.680 1.00 0.00 C ATOM 1092 CD1 LEU A 69 3.601 7.031 4.267 1.00 0.00 C ATOM 1093 CD2 LEU A 69 2.903 6.870 6.664 1.00 0.00 C ATOM 0 H LEU A 69 6.996 5.824 6.499 1.00 0.00 H new ATOM 0 HA LEU A 69 4.524 5.024 7.877 1.00 0.00 H new ATOM 0 HB2 LEU A 69 5.334 5.144 4.951 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.776 4.577 5.521 1.00 0.00 H new ATOM 0 HG LEU A 69 4.850 7.377 5.959 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.218 8.051 4.242 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.447 6.945 3.586 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.816 6.341 3.959 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.529 7.892 6.606 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.100 6.175 6.417 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.257 6.670 7.675 1.00 0.00 H new ATOM 1105 N VAL A 70 6.621 2.975 7.744 1.00 0.00 N ATOM 1106 CA VAL A 70 7.041 1.580 7.801 1.00 0.00 C ATOM 1107 C VAL A 70 6.596 0.926 9.105 1.00 0.00 C ATOM 1108 O VAL A 70 6.883 1.426 10.192 1.00 0.00 O ATOM 1109 CB VAL A 70 8.569 1.448 7.668 1.00 0.00 C ATOM 1110 CG1 VAL A 70 9.032 0.084 8.156 1.00 0.00 C ATOM 1111 CG2 VAL A 70 9.001 1.683 6.228 1.00 0.00 C ATOM 0 H VAL A 70 7.205 3.614 8.284 1.00 0.00 H new ATOM 0 HA VAL A 70 6.566 1.071 6.962 1.00 0.00 H new ATOM 0 HB VAL A 70 9.037 2.209 8.293 1.00 0.00 H new ATOM 0 HG11 VAL A 70 10.115 0.009 8.054 1.00 0.00 H new ATOM 0 HG12 VAL A 70 8.757 -0.041 9.203 1.00 0.00 H new ATOM 0 HG13 VAL A 70 8.557 -0.696 7.561 1.00 0.00 H new ATOM 0 HG21 VAL A 70 10.084 1.586 6.153 1.00 0.00 H new ATOM 0 HG22 VAL A 70 8.525 0.947 5.580 1.00 0.00 H new ATOM 0 HG23 VAL A 70 8.704 2.685 5.918 1.00 0.00 H new ATOM 1121 N GLY A 71 5.894 -0.197 8.988 1.00 0.00 N ATOM 1122 CA GLY A 71 5.421 -0.902 10.165 1.00 0.00 C ATOM 1123 C GLY A 71 3.910 -0.886 10.282 1.00 0.00 C ATOM 1124 O GLY A 71 3.312 -1.820 10.818 1.00 0.00 O ATOM 0 H GLY A 71 5.644 -0.631 8.099 1.00 0.00 H new ATOM 0 HA2 GLY A 71 5.769 -1.934 10.131 1.00 0.00 H new ATOM 0 HA3 GLY A 71 5.856 -0.449 11.056 1.00 0.00 H new ATOM 1128 N LEU A 72 3.291 0.177 9.782 1.00 0.00 N ATOM 1129 CA LEU A 72 1.839 0.312 9.835 1.00 0.00 C ATOM 1130 C LEU A 72 1.170 -0.593 8.805 1.00 0.00 C ATOM 1131 O LEU A 72 1.824 -1.105 7.897 1.00 0.00 O ATOM 1132 CB LEU A 72 1.433 1.767 9.592 1.00 0.00 C ATOM 1133 CG LEU A 72 1.952 2.787 10.607 1.00 0.00 C ATOM 1134 CD1 LEU A 72 1.606 4.201 10.167 1.00 0.00 C ATOM 1135 CD2 LEU A 72 1.381 2.501 11.988 1.00 0.00 C ATOM 0 H LEU A 72 3.771 0.958 9.335 1.00 0.00 H new ATOM 0 HA LEU A 72 1.507 0.009 10.828 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.782 2.060 8.602 1.00 0.00 H new ATOM 0 HB3 LEU A 72 0.344 1.822 9.576 1.00 0.00 H new ATOM 0 HG LEU A 72 3.037 2.701 10.659 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.983 4.913 10.901 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.063 4.403 9.198 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.524 4.302 10.086 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.760 3.236 12.698 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.293 2.560 11.951 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.680 1.502 12.305 1.00 0.00 H new ATOM 1147 N ARG A 73 -0.137 -0.783 8.953 1.00 0.00 N ATOM 1148 CA ARG A 73 -0.894 -1.626 8.035 1.00 0.00 C ATOM 1149 C ARG A 73 -1.705 -0.776 7.061 1.00 0.00 C ATOM 1150 O ARG A 73 -2.071 0.359 7.366 1.00 0.00 O ATOM 1151 CB ARG A 73 -1.826 -2.556 8.814 1.00 0.00 C ATOM 1152 CG ARG A 73 -1.117 -3.750 9.433 1.00 0.00 C ATOM 1153 CD ARG A 73 -1.803 -4.205 10.711 1.00 0.00 C ATOM 1154 NE ARG A 73 -1.552 -5.615 10.995 1.00 0.00 N ATOM 1155 CZ ARG A 73 -2.245 -6.321 11.882 1.00 0.00 C ATOM 1156 NH1 ARG A 73 -3.227 -5.751 12.567 1.00 0.00 N ATOM 1157 NH2 ARG A 73 -1.957 -7.600 12.084 1.00 0.00 N ATOM 0 H ARG A 73 -0.693 -0.365 9.699 1.00 0.00 H new ATOM 0 HA ARG A 73 -0.186 -2.227 7.465 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -2.317 -1.987 9.603 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -2.609 -2.915 8.146 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -1.095 -4.572 8.718 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -0.081 -3.488 9.648 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -1.452 -3.599 11.546 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -2.877 -4.038 10.625 1.00 0.00 H new ATOM 0 HE ARG A 73 -0.804 -6.084 10.484 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -3.452 -4.768 12.414 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -3.757 -6.296 13.247 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -1.203 -8.042 11.558 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -2.489 -8.141 12.765 1.00 0.00 H new ATOM 1171 N VAL A 74 -1.983 -1.333 5.887 1.00 0.00 N ATOM 1172 CA VAL A 74 -2.750 -0.628 4.868 1.00 0.00 C ATOM 1173 C VAL A 74 -4.157 -1.203 4.743 1.00 0.00 C ATOM 1174 O VAL A 74 -4.335 -2.416 4.635 1.00 0.00 O ATOM 1175 CB VAL A 74 -2.056 -0.696 3.494 1.00 0.00 C ATOM 1176 CG1 VAL A 74 -2.811 0.139 2.472 1.00 0.00 C ATOM 1177 CG2 VAL A 74 -0.610 -0.237 3.606 1.00 0.00 C ATOM 0 H VAL A 74 -1.688 -2.272 5.618 1.00 0.00 H new ATOM 0 HA VAL A 74 -2.812 0.413 5.184 1.00 0.00 H new ATOM 0 HB VAL A 74 -2.060 -1.732 3.155 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -2.306 0.079 1.508 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -3.828 -0.240 2.373 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -2.841 1.178 2.801 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -0.134 -0.291 2.627 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -0.582 0.791 3.967 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -0.077 -0.882 4.305 1.00 0.00 H new ATOM 1187 N TYR A 75 -5.152 -0.324 4.758 1.00 0.00 N ATOM 1188 CA TYR A 75 -6.544 -0.744 4.648 1.00 0.00 C ATOM 1189 C TYR A 75 -7.098 -0.436 3.260 1.00 0.00 C ATOM 1190 O TYR A 75 -6.612 0.459 2.570 1.00 0.00 O ATOM 1191 CB TYR A 75 -7.394 -0.049 5.714 1.00 0.00 C ATOM 1192 CG TYR A 75 -7.206 -0.617 7.103 1.00 0.00 C ATOM 1193 CD1 TYR A 75 -6.051 -0.359 7.830 1.00 0.00 C ATOM 1194 CD2 TYR A 75 -8.185 -1.412 7.687 1.00 0.00 C ATOM 1195 CE1 TYR A 75 -5.875 -0.877 9.099 1.00 0.00 C ATOM 1196 CE2 TYR A 75 -8.018 -1.933 8.956 1.00 0.00 C ATOM 1197 CZ TYR A 75 -6.861 -1.663 9.658 1.00 0.00 C ATOM 1198 OH TYR A 75 -6.690 -2.179 10.922 1.00 0.00 O ATOM 0 H TYR A 75 -5.021 0.684 4.845 1.00 0.00 H new ATOM 0 HA TYR A 75 -6.585 -1.822 4.805 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -7.147 1.013 5.728 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -8.445 -0.128 5.437 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -5.277 0.257 7.396 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -9.091 -1.626 7.140 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -4.970 -0.667 9.650 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -8.789 -2.548 9.396 1.00 0.00 H new ATOM 0 HH TYR A 75 -6.144 -1.564 11.455 1.00 0.00 H new ATOM 1208 N ALA A 76 -8.120 -1.185 2.859 1.00 0.00 N ATOM 1209 CA ALA A 76 -8.744 -0.992 1.556 1.00 0.00 C ATOM 1210 C ALA A 76 -10.203 -0.573 1.701 1.00 0.00 C ATOM 1211 O ALA A 76 -10.814 -0.776 2.750 1.00 0.00 O ATOM 1212 CB ALA A 76 -8.638 -2.264 0.727 1.00 0.00 C ATOM 0 H ALA A 76 -8.533 -1.931 3.418 1.00 0.00 H new ATOM 0 HA ALA A 76 -8.213 -0.190 1.042 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -9.108 -2.106 -0.244 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -7.588 -2.519 0.584 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -9.142 -3.079 1.246 1.00 0.00 H new ATOM 1218 N GLU A 77 -10.754 0.013 0.643 1.00 0.00 N ATOM 1219 CA GLU A 77 -12.141 0.461 0.655 1.00 0.00 C ATOM 1220 C GLU A 77 -12.958 -0.267 -0.408 1.00 0.00 C ATOM 1221 O GLU A 77 -12.617 -0.247 -1.591 1.00 0.00 O ATOM 1222 CB GLU A 77 -12.214 1.972 0.424 1.00 0.00 C ATOM 1223 CG GLU A 77 -13.441 2.624 1.041 1.00 0.00 C ATOM 1224 CD GLU A 77 -13.680 4.027 0.518 1.00 0.00 C ATOM 1225 OE1 GLU A 77 -13.329 4.294 -0.650 1.00 0.00 O ATOM 1226 OE2 GLU A 77 -14.220 4.858 1.278 1.00 0.00 O ATOM 0 H GLU A 77 -10.261 0.188 -0.233 1.00 0.00 H new ATOM 0 HA GLU A 77 -12.562 0.229 1.633 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -11.319 2.438 0.837 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -12.209 2.168 -0.648 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -14.317 2.009 0.835 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -13.324 2.659 2.124 1.00 0.00 H new ATOM 1233 N VAL A 78 -14.040 -0.909 0.022 1.00 0.00 N ATOM 1234 CA VAL A 78 -14.906 -1.644 -0.892 1.00 0.00 C ATOM 1235 C VAL A 78 -15.467 -0.727 -1.974 1.00 0.00 C ATOM 1236 O VAL A 78 -15.810 -1.178 -3.067 1.00 0.00 O ATOM 1237 CB VAL A 78 -16.075 -2.311 -0.143 1.00 0.00 C ATOM 1238 CG1 VAL A 78 -16.822 -3.267 -1.061 1.00 0.00 C ATOM 1239 CG2 VAL A 78 -15.570 -3.034 1.096 1.00 0.00 C ATOM 0 H VAL A 78 -14.337 -0.935 0.997 1.00 0.00 H new ATOM 0 HA VAL A 78 -14.293 -2.417 -1.356 1.00 0.00 H new ATOM 0 HB VAL A 78 -16.770 -1.534 0.176 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -17.644 -3.729 -0.514 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -17.218 -2.717 -1.915 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -16.140 -4.041 -1.413 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -16.409 -3.499 1.613 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -14.854 -3.801 0.803 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -15.085 -2.320 1.761 1.00 0.00 H new ATOM 1249 N ALA A 79 -15.556 0.561 -1.662 1.00 0.00 N ATOM 1250 CA ALA A 79 -16.072 1.543 -2.608 1.00 0.00 C ATOM 1251 C ALA A 79 -15.291 1.507 -3.917 1.00 0.00 C ATOM 1252 O ALA A 79 -15.835 1.791 -4.984 1.00 0.00 O ATOM 1253 CB ALA A 79 -16.025 2.937 -2.001 1.00 0.00 C ATOM 0 H ALA A 79 -15.277 0.949 -0.761 1.00 0.00 H new ATOM 0 HA ALA A 79 -17.109 1.290 -2.827 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -16.413 3.660 -2.719 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -16.633 2.961 -1.097 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -14.995 3.191 -1.752 1.00 0.00 H new ATOM 1259 N ASP A 80 -14.012 1.158 -3.828 1.00 0.00 N ATOM 1260 CA ASP A 80 -13.155 1.085 -5.006 1.00 0.00 C ATOM 1261 C ASP A 80 -13.120 -0.333 -5.566 1.00 0.00 C ATOM 1262 O ASP A 80 -13.145 -0.534 -6.781 1.00 0.00 O ATOM 1263 CB ASP A 80 -11.738 1.546 -4.661 1.00 0.00 C ATOM 1264 CG ASP A 80 -11.554 3.039 -4.846 1.00 0.00 C ATOM 1265 OD1 ASP A 80 -11.257 3.464 -5.982 1.00 0.00 O ATOM 1266 OD2 ASP A 80 -11.706 3.784 -3.854 1.00 0.00 O ATOM 0 H ASP A 80 -13.546 0.921 -2.952 1.00 0.00 H new ATOM 0 HA ASP A 80 -13.569 1.746 -5.767 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -11.514 1.281 -3.628 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -11.023 1.014 -5.289 1.00 0.00 H new ATOM 1271 N LEU A 81 -13.062 -1.315 -4.672 1.00 0.00 N ATOM 1272 CA LEU A 81 -13.022 -2.716 -5.077 1.00 0.00 C ATOM 1273 C LEU A 81 -14.194 -3.051 -5.994 1.00 0.00 C ATOM 1274 O LEU A 81 -15.297 -2.525 -5.850 1.00 0.00 O ATOM 1275 CB LEU A 81 -13.048 -3.623 -3.846 1.00 0.00 C ATOM 1276 CG LEU A 81 -11.824 -3.548 -2.931 1.00 0.00 C ATOM 1277 CD1 LEU A 81 -11.978 -4.500 -1.755 1.00 0.00 C ATOM 1278 CD2 LEU A 81 -10.556 -3.862 -3.710 1.00 0.00 C ATOM 0 H LEU A 81 -13.042 -1.167 -3.663 1.00 0.00 H new ATOM 0 HA LEU A 81 -12.095 -2.884 -5.626 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -13.932 -3.378 -3.258 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -13.164 -4.654 -4.181 1.00 0.00 H new ATOM 0 HG LEU A 81 -11.746 -2.532 -2.543 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -11.098 -4.433 -1.115 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -12.865 -4.230 -1.182 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -12.081 -5.520 -2.124 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -9.696 -3.804 -3.043 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -10.625 -4.867 -4.127 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -10.438 -3.141 -4.519 1.00 0.00 H new