USER MOD reduce.3.24.130724 H: found=0, std=0, add=545, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 545 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 Single : A 19 THR OG1 : rot 180:sc= -0.0324 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 22:sc= 0.602 USER MOD Single : A 26 TYR OH : rot 180:sc=-0.000494 USER MOD Single : A 30 THR OG1 : rot -115:sc= 0.415 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 CYS SG : rot 37:sc= -3.03! USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 ASN :FLIP amide:sc= -0.203 F(o=-1.3,f=-0.2) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= 0.378 K(o=0.38,f=-7.5!) USER MOD Single : A 61 CYS SG : rot 43:sc= 0.162 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 HIS :FLIP no HE2:sc= -2.72 F(o=-3.8!,f=-2.7) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 68 N LEU A 8 11.009 -5.837 1.058 1.00 0.00 N ATOM 69 CA LEU A 8 10.558 -4.564 1.608 1.00 0.00 C ATOM 70 C LEU A 8 10.398 -4.651 3.122 1.00 0.00 C ATOM 71 O LEU A 8 10.329 -5.743 3.687 1.00 0.00 O ATOM 72 CB LEU A 8 9.231 -4.149 0.967 1.00 0.00 C ATOM 73 CG LEU A 8 9.291 -3.896 -0.540 1.00 0.00 C ATOM 74 CD1 LEU A 8 7.893 -3.698 -1.104 1.00 0.00 C ATOM 75 CD2 LEU A 8 10.167 -2.689 -0.841 1.00 0.00 C ATOM 0 HA LEU A 8 11.314 -3.812 1.383 1.00 0.00 H new ATOM 0 HB2 LEU A 8 8.493 -4.927 1.160 1.00 0.00 H new ATOM 0 HB3 LEU A 8 8.875 -3.243 1.458 1.00 0.00 H new ATOM 0 HG LEU A 8 9.732 -4.769 -1.020 1.00 0.00 H new ATOM 0 HD11 LEU A 8 7.956 -3.519 -2.177 1.00 0.00 H new ATOM 0 HD12 LEU A 8 7.296 -4.591 -0.919 1.00 0.00 H new ATOM 0 HD13 LEU A 8 7.423 -2.841 -0.620 1.00 0.00 H new ATOM 0 HD21 LEU A 8 10.199 -2.522 -1.918 1.00 0.00 H new ATOM 0 HD22 LEU A 8 9.754 -1.808 -0.350 1.00 0.00 H new ATOM 0 HD23 LEU A 8 11.176 -2.871 -0.472 1.00 0.00 H new ATOM 87 N ARG A 9 10.342 -3.494 3.774 1.00 0.00 N ATOM 88 CA ARG A 9 10.191 -3.440 5.224 1.00 0.00 C ATOM 89 C ARG A 9 8.923 -2.685 5.610 1.00 0.00 C ATOM 90 O ARG A 9 8.519 -1.741 4.931 1.00 0.00 O ATOM 91 CB ARG A 9 11.411 -2.769 5.859 1.00 0.00 C ATOM 92 CG ARG A 9 12.706 -3.537 5.646 1.00 0.00 C ATOM 93 CD ARG A 9 12.990 -4.486 6.799 1.00 0.00 C ATOM 94 NE ARG A 9 13.350 -5.823 6.332 1.00 0.00 N ATOM 95 CZ ARG A 9 14.544 -6.139 5.839 1.00 0.00 C ATOM 96 NH1 ARG A 9 15.497 -5.221 5.748 1.00 0.00 N ATOM 97 NH2 ARG A 9 14.788 -7.380 5.436 1.00 0.00 N ATOM 0 H ARG A 9 10.399 -2.582 3.322 1.00 0.00 H new ATOM 0 HA ARG A 9 10.112 -4.462 5.595 1.00 0.00 H new ATOM 0 HB2 ARG A 9 11.520 -1.766 5.446 1.00 0.00 H new ATOM 0 HB3 ARG A 9 11.237 -2.655 6.929 1.00 0.00 H new ATOM 0 HG2 ARG A 9 12.646 -4.102 4.716 1.00 0.00 H new ATOM 0 HG3 ARG A 9 13.533 -2.835 5.540 1.00 0.00 H new ATOM 0 HD2 ARG A 9 13.800 -4.084 7.408 1.00 0.00 H new ATOM 0 HD3 ARG A 9 12.111 -4.551 7.440 1.00 0.00 H new ATOM 0 HE ARG A 9 12.644 -6.557 6.387 1.00 0.00 H new ATOM 0 HH11 ARG A 9 15.316 -4.266 6.057 1.00 0.00 H new ATOM 0 HH12 ARG A 9 16.411 -5.470 5.369 1.00 0.00 H new ATOM 0 HH21 ARG A 9 14.060 -8.091 5.504 1.00 0.00 H new ATOM 0 HH22 ARG A 9 15.704 -7.623 5.058 1.00 0.00 H new ATOM 111 N LEU A 10 8.300 -3.107 6.706 1.00 0.00 N ATOM 112 CA LEU A 10 7.078 -2.470 7.183 1.00 0.00 C ATOM 113 C LEU A 10 7.350 -1.037 7.627 1.00 0.00 C ATOM 114 O LEU A 10 7.853 -0.801 8.725 1.00 0.00 O ATOM 115 CB LEU A 10 6.480 -3.271 8.342 1.00 0.00 C ATOM 116 CG LEU A 10 5.711 -4.528 7.930 1.00 0.00 C ATOM 117 CD1 LEU A 10 5.451 -5.413 9.139 1.00 0.00 C ATOM 118 CD2 LEU A 10 4.403 -4.152 7.250 1.00 0.00 C ATOM 0 H LEU A 10 8.621 -3.887 7.280 1.00 0.00 H new ATOM 0 HA LEU A 10 6.364 -2.447 6.360 1.00 0.00 H new ATOM 0 HB2 LEU A 10 7.285 -3.561 9.017 1.00 0.00 H new ATOM 0 HB3 LEU A 10 5.810 -2.622 8.905 1.00 0.00 H new ATOM 0 HG LEU A 10 6.319 -5.088 7.219 1.00 0.00 H new ATOM 0 HD11 LEU A 10 4.903 -6.302 8.828 1.00 0.00 H new ATOM 0 HD12 LEU A 10 6.401 -5.709 9.584 1.00 0.00 H new ATOM 0 HD13 LEU A 10 4.862 -4.863 9.873 1.00 0.00 H new ATOM 0 HD21 LEU A 10 3.868 -5.058 6.963 1.00 0.00 H new ATOM 0 HD22 LEU A 10 3.789 -3.571 7.938 1.00 0.00 H new ATOM 0 HD23 LEU A 10 4.613 -3.558 6.361 1.00 0.00 H new ATOM 130 N GLY A 11 7.015 -0.082 6.764 1.00 0.00 N ATOM 131 CA GLY A 11 7.231 1.317 7.084 1.00 0.00 C ATOM 132 C GLY A 11 8.323 1.942 6.238 1.00 0.00 C ATOM 133 O GLY A 11 9.339 2.397 6.763 1.00 0.00 O ATOM 0 H GLY A 11 6.598 -0.253 5.849 1.00 0.00 H new ATOM 0 HA2 GLY A 11 6.302 1.868 6.938 1.00 0.00 H new ATOM 0 HA3 GLY A 11 7.494 1.409 8.138 1.00 0.00 H new ATOM 137 N ASP A 12 8.112 1.965 4.926 1.00 0.00 N ATOM 138 CA ASP A 12 9.085 2.539 4.005 1.00 0.00 C ATOM 139 C ASP A 12 8.389 3.324 2.898 1.00 0.00 C ATOM 140 O ASP A 12 7.461 2.827 2.260 1.00 0.00 O ATOM 141 CB ASP A 12 9.955 1.436 3.397 1.00 0.00 C ATOM 142 CG ASP A 12 11.266 1.260 4.137 1.00 0.00 C ATOM 143 OD1 ASP A 12 11.281 0.536 5.155 1.00 0.00 O ATOM 144 OD2 ASP A 12 12.279 1.844 3.698 1.00 0.00 O ATOM 0 H ASP A 12 7.275 1.592 4.477 1.00 0.00 H new ATOM 0 HA ASP A 12 9.720 3.224 4.566 1.00 0.00 H new ATOM 0 HB2 ASP A 12 9.405 0.495 3.409 1.00 0.00 H new ATOM 0 HB3 ASP A 12 10.159 1.672 2.353 1.00 0.00 H new ATOM 149 N ARG A 13 8.843 4.553 2.676 1.00 0.00 N ATOM 150 CA ARG A 13 8.263 5.408 1.646 1.00 0.00 C ATOM 151 C ARG A 13 8.508 4.827 0.256 1.00 0.00 C ATOM 152 O ARG A 13 9.648 4.755 -0.204 1.00 0.00 O ATOM 153 CB ARG A 13 8.848 6.818 1.734 1.00 0.00 C ATOM 154 CG ARG A 13 7.851 7.913 1.392 1.00 0.00 C ATOM 155 CD ARG A 13 8.076 9.156 2.238 1.00 0.00 C ATOM 156 NE ARG A 13 7.348 9.098 3.502 1.00 0.00 N ATOM 157 CZ ARG A 13 7.086 10.162 4.258 1.00 0.00 C ATOM 158 NH1 ARG A 13 7.491 11.369 3.878 1.00 0.00 N ATOM 159 NH2 ARG A 13 6.418 10.022 5.394 1.00 0.00 N ATOM 0 H ARG A 13 9.611 4.979 3.195 1.00 0.00 H new ATOM 0 HA ARG A 13 7.187 5.459 1.814 1.00 0.00 H new ATOM 0 HB2 ARG A 13 9.225 6.984 2.743 1.00 0.00 H new ATOM 0 HB3 ARG A 13 9.701 6.891 1.059 1.00 0.00 H new ATOM 0 HG2 ARG A 13 7.939 8.169 0.336 1.00 0.00 H new ATOM 0 HG3 ARG A 13 6.837 7.545 1.547 1.00 0.00 H new ATOM 0 HD2 ARG A 13 9.141 9.270 2.438 1.00 0.00 H new ATOM 0 HD3 ARG A 13 7.761 10.037 1.679 1.00 0.00 H new ATOM 0 HE ARG A 13 7.020 8.188 3.825 1.00 0.00 H new ATOM 0 HH11 ARG A 13 8.005 11.483 3.004 1.00 0.00 H new ATOM 0 HH12 ARG A 13 7.288 12.182 4.460 1.00 0.00 H new ATOM 0 HH21 ARG A 13 6.104 9.098 5.690 1.00 0.00 H new ATOM 0 HH22 ARG A 13 6.218 10.838 5.972 1.00 0.00 H new ATOM 173 N VAL A 14 7.433 4.416 -0.405 1.00 0.00 N ATOM 174 CA VAL A 14 7.531 3.842 -1.743 1.00 0.00 C ATOM 175 C VAL A 14 6.658 4.604 -2.734 1.00 0.00 C ATOM 176 O VAL A 14 5.764 5.352 -2.341 1.00 0.00 O ATOM 177 CB VAL A 14 7.117 2.358 -1.748 1.00 0.00 C ATOM 178 CG1 VAL A 14 8.102 1.526 -0.942 1.00 0.00 C ATOM 179 CG2 VAL A 14 5.704 2.197 -1.210 1.00 0.00 C ATOM 0 H VAL A 14 6.483 4.469 -0.037 1.00 0.00 H new ATOM 0 HA VAL A 14 8.575 3.923 -2.046 1.00 0.00 H new ATOM 0 HB VAL A 14 7.132 1.998 -2.777 1.00 0.00 H new ATOM 0 HG11 VAL A 14 7.793 0.481 -0.957 1.00 0.00 H new ATOM 0 HG12 VAL A 14 9.097 1.617 -1.378 1.00 0.00 H new ATOM 0 HG13 VAL A 14 8.123 1.883 0.088 1.00 0.00 H new ATOM 0 HG21 VAL A 14 5.428 1.142 -1.221 1.00 0.00 H new ATOM 0 HG22 VAL A 14 5.659 2.573 -0.188 1.00 0.00 H new ATOM 0 HG23 VAL A 14 5.010 2.760 -1.835 1.00 0.00 H new ATOM 189 N LEU A 15 6.924 4.407 -4.021 1.00 0.00 N ATOM 190 CA LEU A 15 6.162 5.075 -5.070 1.00 0.00 C ATOM 191 C LEU A 15 5.120 4.134 -5.666 1.00 0.00 C ATOM 192 O LEU A 15 5.459 3.100 -6.242 1.00 0.00 O ATOM 193 CB LEU A 15 7.100 5.581 -6.168 1.00 0.00 C ATOM 194 CG LEU A 15 6.510 6.661 -7.076 1.00 0.00 C ATOM 195 CD1 LEU A 15 6.308 7.955 -6.304 1.00 0.00 C ATOM 196 CD2 LEU A 15 7.409 6.891 -8.282 1.00 0.00 C ATOM 0 H LEU A 15 7.661 3.790 -4.363 1.00 0.00 H new ATOM 0 HA LEU A 15 5.645 5.925 -4.625 1.00 0.00 H new ATOM 0 HB2 LEU A 15 8.003 5.974 -5.701 1.00 0.00 H new ATOM 0 HB3 LEU A 15 7.403 4.735 -6.785 1.00 0.00 H new ATOM 0 HG LEU A 15 5.538 6.320 -7.432 1.00 0.00 H new ATOM 0 HD11 LEU A 15 5.888 8.712 -6.966 1.00 0.00 H new ATOM 0 HD12 LEU A 15 5.625 7.780 -5.473 1.00 0.00 H new ATOM 0 HD13 LEU A 15 7.267 8.302 -5.919 1.00 0.00 H new ATOM 0 HD21 LEU A 15 6.975 7.662 -8.918 1.00 0.00 H new ATOM 0 HD22 LEU A 15 8.395 7.211 -7.945 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.502 5.964 -8.848 1.00 0.00 H new ATOM 208 N VAL A 16 3.850 4.500 -5.525 1.00 0.00 N ATOM 209 CA VAL A 16 2.758 3.688 -6.050 1.00 0.00 C ATOM 210 C VAL A 16 2.139 4.335 -7.284 1.00 0.00 C ATOM 211 O VAL A 16 1.488 5.376 -7.192 1.00 0.00 O ATOM 212 CB VAL A 16 1.659 3.470 -4.991 1.00 0.00 C ATOM 213 CG1 VAL A 16 0.607 2.499 -5.504 1.00 0.00 C ATOM 214 CG2 VAL A 16 2.263 2.973 -3.686 1.00 0.00 C ATOM 0 H VAL A 16 3.552 5.353 -5.052 1.00 0.00 H new ATOM 0 HA VAL A 16 3.184 2.722 -6.323 1.00 0.00 H new ATOM 0 HB VAL A 16 1.174 4.427 -4.798 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.160 2.358 -4.743 1.00 0.00 H new ATOM 0 HG12 VAL A 16 0.151 2.901 -6.409 1.00 0.00 H new ATOM 0 HG13 VAL A 16 1.075 1.541 -5.729 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.471 2.825 -2.952 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.778 2.028 -3.860 1.00 0.00 H new ATOM 0 HG23 VAL A 16 2.974 3.709 -3.310 1.00 0.00 H new ATOM 224 N GLY A 17 2.347 3.713 -8.439 1.00 0.00 N ATOM 225 CA GLY A 17 1.802 4.242 -9.676 1.00 0.00 C ATOM 226 C GLY A 17 2.808 5.078 -10.442 1.00 0.00 C ATOM 227 O GLY A 17 2.798 5.101 -11.672 1.00 0.00 O ATOM 0 H GLY A 17 2.883 2.852 -8.541 1.00 0.00 H new ATOM 0 HA2 GLY A 17 1.467 3.417 -10.304 1.00 0.00 H new ATOM 0 HA3 GLY A 17 0.925 4.849 -9.453 1.00 0.00 H new ATOM 231 N GLY A 18 3.681 5.766 -9.712 1.00 0.00 N ATOM 232 CA GLY A 18 4.686 6.598 -10.347 1.00 0.00 C ATOM 233 C GLY A 18 4.759 7.994 -9.754 1.00 0.00 C ATOM 234 O GLY A 18 5.657 8.767 -10.086 1.00 0.00 O ATOM 0 H GLY A 18 3.710 5.762 -8.692 1.00 0.00 H new ATOM 0 HA2 GLY A 18 5.660 6.118 -10.253 1.00 0.00 H new ATOM 0 HA3 GLY A 18 4.468 6.672 -11.412 1.00 0.00 H new ATOM 238 N THR A 19 3.812 8.321 -8.877 1.00 0.00 N ATOM 239 CA THR A 19 3.781 9.635 -8.246 1.00 0.00 C ATOM 240 C THR A 19 3.300 9.537 -6.801 1.00 0.00 C ATOM 241 O THR A 19 3.890 10.132 -5.900 1.00 0.00 O ATOM 242 CB THR A 19 2.875 10.581 -9.035 1.00 0.00 C ATOM 243 OG1 THR A 19 3.021 10.367 -10.428 1.00 0.00 O ATOM 244 CG2 THR A 19 3.153 12.043 -8.764 1.00 0.00 C ATOM 0 H THR A 19 3.059 7.696 -8.589 1.00 0.00 H new ATOM 0 HA THR A 19 4.796 10.032 -8.244 1.00 0.00 H new ATOM 0 HB THR A 19 1.862 10.354 -8.703 1.00 0.00 H new ATOM 0 HG1 THR A 19 2.433 10.980 -10.917 1.00 0.00 H new ATOM 0 HG21 THR A 19 2.475 12.658 -9.356 1.00 0.00 H new ATOM 0 HG22 THR A 19 3.001 12.252 -7.705 1.00 0.00 H new ATOM 0 HG23 THR A 19 4.183 12.274 -9.036 1.00 0.00 H new ATOM 252 N LYS A 20 2.224 8.786 -6.588 1.00 0.00 N ATOM 253 CA LYS A 20 1.663 8.613 -5.252 1.00 0.00 C ATOM 254 C LYS A 20 2.703 8.042 -4.293 1.00 0.00 C ATOM 255 O LYS A 20 2.955 6.837 -4.279 1.00 0.00 O ATOM 256 CB LYS A 20 0.442 7.694 -5.304 1.00 0.00 C ATOM 257 CG LYS A 20 -0.586 8.105 -6.348 1.00 0.00 C ATOM 258 CD LYS A 20 -1.116 6.903 -7.117 1.00 0.00 C ATOM 259 CE LYS A 20 -2.628 6.790 -7.004 1.00 0.00 C ATOM 260 NZ LYS A 20 -3.164 5.660 -7.812 1.00 0.00 N ATOM 0 H LYS A 20 1.723 8.287 -7.323 1.00 0.00 H new ATOM 0 HA LYS A 20 1.357 9.593 -4.885 1.00 0.00 H new ATOM 0 HB2 LYS A 20 0.772 6.676 -5.512 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -0.034 7.680 -4.323 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -1.414 8.620 -5.861 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.136 8.813 -7.044 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.834 6.988 -8.166 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.653 5.993 -6.736 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.904 6.652 -5.959 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -3.087 7.722 -7.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -4.198 5.618 -7.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -2.923 5.804 -8.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.746 4.767 -7.481 1.00 0.00 H new ATOM 274 N THR A 21 3.301 8.915 -3.490 1.00 0.00 N ATOM 275 CA THR A 21 4.312 8.499 -2.525 1.00 0.00 C ATOM 276 C THR A 21 3.672 8.143 -1.187 1.00 0.00 C ATOM 277 O THR A 21 2.989 8.966 -0.576 1.00 0.00 O ATOM 278 CB THR A 21 5.348 9.606 -2.329 1.00 0.00 C ATOM 279 OG1 THR A 21 4.778 10.713 -1.653 1.00 0.00 O ATOM 280 CG2 THR A 21 5.933 10.115 -3.629 1.00 0.00 C ATOM 0 H THR A 21 3.103 9.916 -3.488 1.00 0.00 H new ATOM 0 HA THR A 21 4.809 7.612 -2.918 1.00 0.00 H new ATOM 0 HB THR A 21 6.147 9.153 -1.742 1.00 0.00 H new ATOM 0 HG1 THR A 21 3.982 10.422 -1.162 1.00 0.00 H new ATOM 0 HG21 THR A 21 6.661 10.899 -3.418 1.00 0.00 H new ATOM 0 HG22 THR A 21 6.424 9.295 -4.153 1.00 0.00 H new ATOM 0 HG23 THR A 21 5.136 10.518 -4.253 1.00 0.00 H new ATOM 288 N GLY A 22 3.894 6.913 -0.737 1.00 0.00 N ATOM 289 CA GLY A 22 3.330 6.472 0.525 1.00 0.00 C ATOM 290 C GLY A 22 4.182 5.419 1.208 1.00 0.00 C ATOM 291 O GLY A 22 4.956 4.719 0.555 1.00 0.00 O ATOM 0 H GLY A 22 4.454 6.213 -1.224 1.00 0.00 H new ATOM 0 HA2 GLY A 22 3.218 7.330 1.188 1.00 0.00 H new ATOM 0 HA3 GLY A 22 2.332 6.070 0.352 1.00 0.00 H new ATOM 295 N VAL A 23 4.038 5.307 2.524 1.00 0.00 N ATOM 296 CA VAL A 23 4.798 4.332 3.296 1.00 0.00 C ATOM 297 C VAL A 23 4.052 3.006 3.393 1.00 0.00 C ATOM 298 O VAL A 23 2.828 2.978 3.519 1.00 0.00 O ATOM 299 CB VAL A 23 5.092 4.847 4.718 1.00 0.00 C ATOM 300 CG1 VAL A 23 6.050 3.912 5.438 1.00 0.00 C ATOM 301 CG2 VAL A 23 5.651 6.261 4.669 1.00 0.00 C ATOM 0 H VAL A 23 3.402 5.880 3.078 1.00 0.00 H new ATOM 0 HA VAL A 23 5.741 4.179 2.771 1.00 0.00 H new ATOM 0 HB VAL A 23 4.156 4.870 5.276 1.00 0.00 H new ATOM 0 HG11 VAL A 23 6.245 4.293 6.440 1.00 0.00 H new ATOM 0 HG12 VAL A 23 5.606 2.919 5.507 1.00 0.00 H new ATOM 0 HG13 VAL A 23 6.987 3.853 4.883 1.00 0.00 H new ATOM 0 HG21 VAL A 23 5.853 6.608 5.682 1.00 0.00 H new ATOM 0 HG22 VAL A 23 6.576 6.267 4.093 1.00 0.00 H new ATOM 0 HG23 VAL A 23 4.925 6.923 4.197 1.00 0.00 H new ATOM 311 N VAL A 24 4.798 1.907 3.332 1.00 0.00 N ATOM 312 CA VAL A 24 4.207 0.578 3.412 1.00 0.00 C ATOM 313 C VAL A 24 3.705 0.285 4.822 1.00 0.00 C ATOM 314 O VAL A 24 4.441 0.429 5.797 1.00 0.00 O ATOM 315 CB VAL A 24 5.216 -0.512 3.000 1.00 0.00 C ATOM 316 CG1 VAL A 24 4.538 -1.872 2.938 1.00 0.00 C ATOM 317 CG2 VAL A 24 5.861 -0.171 1.665 1.00 0.00 C ATOM 0 H VAL A 24 5.813 1.912 3.227 1.00 0.00 H new ATOM 0 HA VAL A 24 3.366 0.563 2.719 1.00 0.00 H new ATOM 0 HB VAL A 24 6.001 -0.555 3.755 1.00 0.00 H new ATOM 0 HG11 VAL A 24 5.266 -2.629 2.646 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.130 -2.120 3.918 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.731 -1.843 2.206 1.00 0.00 H new ATOM 0 HG21 VAL A 24 6.570 -0.953 1.393 1.00 0.00 H new ATOM 0 HG22 VAL A 24 5.091 -0.096 0.897 1.00 0.00 H new ATOM 0 HG23 VAL A 24 6.385 0.781 1.747 1.00 0.00 H new ATOM 327 N ARG A 25 2.445 -0.128 4.921 1.00 0.00 N ATOM 328 CA ARG A 25 1.843 -0.443 6.211 1.00 0.00 C ATOM 329 C ARG A 25 1.607 -1.944 6.350 1.00 0.00 C ATOM 330 O ARG A 25 1.669 -2.493 7.450 1.00 0.00 O ATOM 331 CB ARG A 25 0.523 0.313 6.377 1.00 0.00 C ATOM 332 CG ARG A 25 0.644 1.572 7.222 1.00 0.00 C ATOM 333 CD ARG A 25 0.827 1.238 8.694 1.00 0.00 C ATOM 334 NE ARG A 25 0.426 2.344 9.559 1.00 0.00 N ATOM 335 CZ ARG A 25 0.152 2.210 10.855 1.00 0.00 C ATOM 336 NH1 ARG A 25 0.234 1.021 11.438 1.00 0.00 N ATOM 337 NH2 ARG A 25 -0.207 3.268 11.570 1.00 0.00 N ATOM 0 H ARG A 25 1.822 -0.252 4.123 1.00 0.00 H new ATOM 0 HA ARG A 25 2.534 -0.130 6.994 1.00 0.00 H new ATOM 0 HB2 ARG A 25 0.142 0.582 5.392 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -0.211 -0.351 6.833 1.00 0.00 H new ATOM 0 HG2 ARG A 25 1.490 2.165 6.874 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -0.249 2.184 7.095 1.00 0.00 H new ATOM 0 HD2 ARG A 25 0.240 0.353 8.941 1.00 0.00 H new ATOM 0 HD3 ARG A 25 1.872 0.990 8.883 1.00 0.00 H new ATOM 0 HE ARG A 25 0.351 3.274 9.146 1.00 0.00 H new ATOM 0 HH11 ARG A 25 0.508 0.204 10.893 1.00 0.00 H new ATOM 0 HH12 ARG A 25 0.023 0.924 12.431 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -0.273 4.184 11.127 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -0.417 3.165 12.563 1.00 0.00 H new ATOM 351 N TYR A 26 1.334 -2.601 5.227 1.00 0.00 N ATOM 352 CA TYR A 26 1.088 -4.039 5.223 1.00 0.00 C ATOM 353 C TYR A 26 1.979 -4.740 4.203 1.00 0.00 C ATOM 354 O TYR A 26 2.276 -4.192 3.142 1.00 0.00 O ATOM 355 CB TYR A 26 -0.383 -4.324 4.914 1.00 0.00 C ATOM 356 CG TYR A 26 -0.932 -5.532 5.638 1.00 0.00 C ATOM 357 CD1 TYR A 26 -1.036 -5.549 7.023 1.00 0.00 C ATOM 358 CD2 TYR A 26 -1.347 -6.657 4.936 1.00 0.00 C ATOM 359 CE1 TYR A 26 -1.537 -6.651 7.689 1.00 0.00 C ATOM 360 CE2 TYR A 26 -1.851 -7.763 5.594 1.00 0.00 C ATOM 361 CZ TYR A 26 -1.943 -7.755 6.970 1.00 0.00 C ATOM 362 OH TYR A 26 -2.444 -8.854 7.628 1.00 0.00 O ATOM 0 H TYR A 26 1.278 -2.161 4.309 1.00 0.00 H new ATOM 0 HA TYR A 26 1.326 -4.427 6.214 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -0.977 -3.450 5.181 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -0.498 -4.472 3.840 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -0.720 -4.686 7.589 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -1.275 -6.667 3.858 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -1.610 -6.648 8.767 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -2.171 -8.629 5.034 1.00 0.00 H new ATOM 0 HH TYR A 26 -2.685 -9.544 6.975 1.00 0.00 H new ATOM 372 N VAL A 27 2.403 -5.956 4.532 1.00 0.00 N ATOM 373 CA VAL A 27 3.260 -6.733 3.645 1.00 0.00 C ATOM 374 C VAL A 27 3.057 -8.229 3.856 1.00 0.00 C ATOM 375 O VAL A 27 3.172 -8.729 4.976 1.00 0.00 O ATOM 376 CB VAL A 27 4.746 -6.392 3.858 1.00 0.00 C ATOM 377 CG1 VAL A 27 5.605 -7.062 2.796 1.00 0.00 C ATOM 378 CG2 VAL A 27 4.954 -4.885 3.850 1.00 0.00 C ATOM 0 H VAL A 27 2.167 -6.424 5.407 1.00 0.00 H new ATOM 0 HA VAL A 27 2.979 -6.472 2.625 1.00 0.00 H new ATOM 0 HB VAL A 27 5.052 -6.773 4.833 1.00 0.00 H new ATOM 0 HG11 VAL A 27 6.652 -6.810 2.963 1.00 0.00 H new ATOM 0 HG12 VAL A 27 5.479 -8.143 2.855 1.00 0.00 H new ATOM 0 HG13 VAL A 27 5.301 -6.714 1.809 1.00 0.00 H new ATOM 0 HG21 VAL A 27 6.010 -4.663 4.002 1.00 0.00 H new ATOM 0 HG22 VAL A 27 4.632 -4.478 2.891 1.00 0.00 H new ATOM 0 HG23 VAL A 27 4.369 -4.433 4.651 1.00 0.00 H new ATOM 388 N GLY A 28 2.756 -8.939 2.775 1.00 0.00 N ATOM 389 CA GLY A 28 2.543 -10.371 2.863 1.00 0.00 C ATOM 390 C GLY A 28 1.479 -10.860 1.900 1.00 0.00 C ATOM 391 O GLY A 28 1.005 -10.103 1.054 1.00 0.00 O ATOM 0 H GLY A 28 2.656 -8.548 1.838 1.00 0.00 H new ATOM 0 HA2 GLY A 28 3.480 -10.888 2.657 1.00 0.00 H new ATOM 0 HA3 GLY A 28 2.253 -10.630 3.881 1.00 0.00 H new ATOM 395 N GLU A 29 1.104 -12.128 2.029 1.00 0.00 N ATOM 396 CA GLU A 29 0.088 -12.716 1.162 1.00 0.00 C ATOM 397 C GLU A 29 -1.312 -12.382 1.664 1.00 0.00 C ATOM 398 O GLU A 29 -1.540 -12.267 2.868 1.00 0.00 O ATOM 399 CB GLU A 29 0.270 -14.233 1.086 1.00 0.00 C ATOM 400 CG GLU A 29 1.473 -14.661 0.262 1.00 0.00 C ATOM 401 CD GLU A 29 1.164 -15.820 -0.666 1.00 0.00 C ATOM 402 OE1 GLU A 29 1.170 -16.977 -0.192 1.00 0.00 O ATOM 403 OE2 GLU A 29 0.914 -15.572 -1.863 1.00 0.00 O ATOM 0 H GLU A 29 1.487 -12.768 2.724 1.00 0.00 H new ATOM 0 HA GLU A 29 0.206 -12.294 0.164 1.00 0.00 H new ATOM 0 HB2 GLU A 29 0.373 -14.629 2.096 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -0.629 -14.677 0.659 1.00 0.00 H new ATOM 0 HG2 GLU A 29 1.825 -13.814 -0.326 1.00 0.00 H new ATOM 0 HG3 GLU A 29 2.285 -14.944 0.932 1.00 0.00 H new ATOM 410 N THR A 30 -2.248 -12.228 0.732 1.00 0.00 N ATOM 411 CA THR A 30 -3.627 -11.906 1.080 1.00 0.00 C ATOM 412 C THR A 30 -4.514 -13.144 0.990 1.00 0.00 C ATOM 413 O THR A 30 -4.043 -14.238 0.683 1.00 0.00 O ATOM 414 CB THR A 30 -4.165 -10.811 0.158 1.00 0.00 C ATOM 415 OG1 THR A 30 -3.635 -10.949 -1.148 1.00 0.00 O ATOM 416 CG2 THR A 30 -3.841 -9.414 0.640 1.00 0.00 C ATOM 0 H THR A 30 -2.076 -12.321 -0.269 1.00 0.00 H new ATOM 0 HA THR A 30 -3.641 -11.545 2.108 1.00 0.00 H new ATOM 0 HB THR A 30 -5.248 -10.938 0.159 1.00 0.00 H new ATOM 0 HG1 THR A 30 -3.068 -10.177 -1.354 1.00 0.00 H new ATOM 0 HG21 THR A 30 -4.251 -8.684 -0.058 1.00 0.00 H new ATOM 0 HG22 THR A 30 -4.279 -9.259 1.626 1.00 0.00 H new ATOM 0 HG23 THR A 30 -2.760 -9.292 0.700 1.00 0.00 H new ATOM 424 N ASP A 31 -5.804 -12.962 1.261 1.00 0.00 N ATOM 425 CA ASP A 31 -6.758 -14.062 1.212 1.00 0.00 C ATOM 426 C ASP A 31 -7.681 -13.929 0.004 1.00 0.00 C ATOM 427 O ASP A 31 -8.135 -14.928 -0.555 1.00 0.00 O ATOM 428 CB ASP A 31 -7.584 -14.106 2.498 1.00 0.00 C ATOM 429 CG ASP A 31 -7.856 -15.523 2.964 1.00 0.00 C ATOM 430 OD1 ASP A 31 -8.676 -16.212 2.320 1.00 0.00 O ATOM 431 OD2 ASP A 31 -7.249 -15.945 3.971 1.00 0.00 O ATOM 0 H ASP A 31 -6.211 -12.062 1.517 1.00 0.00 H new ATOM 0 HA ASP A 31 -6.198 -14.992 1.117 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -7.058 -13.563 3.283 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -8.531 -13.592 2.336 1.00 0.00 H new ATOM 436 N PHE A 32 -7.955 -12.690 -0.391 1.00 0.00 N ATOM 437 CA PHE A 32 -8.824 -12.428 -1.531 1.00 0.00 C ATOM 438 C PHE A 32 -8.060 -12.575 -2.843 1.00 0.00 C ATOM 439 O PHE A 32 -8.563 -13.160 -3.803 1.00 0.00 O ATOM 440 CB PHE A 32 -9.422 -11.023 -1.430 1.00 0.00 C ATOM 441 CG PHE A 32 -8.401 -9.950 -1.181 1.00 0.00 C ATOM 442 CD1 PHE A 32 -7.692 -9.393 -2.234 1.00 0.00 C ATOM 443 CD2 PHE A 32 -8.150 -9.499 0.104 1.00 0.00 C ATOM 444 CE1 PHE A 32 -6.752 -8.406 -2.008 1.00 0.00 C ATOM 445 CE2 PHE A 32 -7.212 -8.512 0.336 1.00 0.00 C ATOM 446 CZ PHE A 32 -6.512 -7.964 -0.722 1.00 0.00 C ATOM 0 H PHE A 32 -7.588 -11.853 0.061 1.00 0.00 H new ATOM 0 HA PHE A 32 -9.631 -13.161 -1.518 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -9.956 -10.797 -2.353 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -10.157 -11.007 -0.625 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -7.876 -9.734 -3.242 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -8.694 -9.924 0.935 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -6.205 -7.980 -2.837 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -7.026 -8.169 1.343 1.00 0.00 H new ATOM 0 HZ PHE A 32 -5.779 -7.192 -0.543 1.00 0.00 H new ATOM 456 N ALA A 33 -6.844 -12.041 -2.876 1.00 0.00 N ATOM 457 CA ALA A 33 -6.009 -12.114 -4.070 1.00 0.00 C ATOM 458 C ALA A 33 -4.773 -12.971 -3.824 1.00 0.00 C ATOM 459 O ALA A 33 -3.996 -12.707 -2.906 1.00 0.00 O ATOM 460 CB ALA A 33 -5.605 -10.717 -4.516 1.00 0.00 C ATOM 0 H ALA A 33 -6.414 -11.553 -2.090 1.00 0.00 H new ATOM 0 HA ALA A 33 -6.591 -12.583 -4.863 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -4.982 -10.786 -5.408 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -6.498 -10.134 -4.741 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -5.045 -10.228 -3.719 1.00 0.00 H new ATOM 466 N LYS A 34 -4.597 -14.000 -4.647 1.00 0.00 N ATOM 467 CA LYS A 34 -3.454 -14.895 -4.517 1.00 0.00 C ATOM 468 C LYS A 34 -2.157 -14.179 -4.881 1.00 0.00 C ATOM 469 O LYS A 34 -1.965 -13.766 -6.025 1.00 0.00 O ATOM 470 CB LYS A 34 -3.642 -16.130 -5.403 1.00 0.00 C ATOM 471 CG LYS A 34 -3.801 -17.421 -4.619 1.00 0.00 C ATOM 472 CD LYS A 34 -5.121 -17.456 -3.864 1.00 0.00 C ATOM 473 CE LYS A 34 -5.432 -18.852 -3.350 1.00 0.00 C ATOM 474 NZ LYS A 34 -6.855 -18.987 -2.932 1.00 0.00 N ATOM 0 H LYS A 34 -5.231 -14.234 -5.411 1.00 0.00 H new ATOM 0 HA LYS A 34 -3.389 -15.213 -3.476 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.521 -15.986 -6.032 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -2.785 -16.223 -6.070 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -3.748 -18.270 -5.300 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -2.975 -17.524 -3.915 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.081 -16.759 -3.027 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -5.925 -17.121 -4.519 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -5.212 -19.583 -4.128 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -4.782 -19.081 -2.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -7.026 -19.954 -2.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -7.059 -18.308 -2.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -7.475 -18.794 -3.744 1.00 0.00 H new ATOM 488 N GLY A 35 -1.273 -14.034 -3.900 1.00 0.00 N ATOM 489 CA GLY A 35 -0.007 -13.367 -4.136 1.00 0.00 C ATOM 490 C GLY A 35 0.422 -12.510 -2.961 1.00 0.00 C ATOM 491 O GLY A 35 -0.344 -12.308 -2.019 1.00 0.00 O ATOM 0 H GLY A 35 -1.411 -14.367 -2.946 1.00 0.00 H new ATOM 0 HA2 GLY A 35 0.762 -14.113 -4.338 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -0.088 -12.744 -5.027 1.00 0.00 H new ATOM 495 N GLU A 36 1.649 -12.003 -3.016 1.00 0.00 N ATOM 496 CA GLU A 36 2.177 -11.163 -1.948 1.00 0.00 C ATOM 497 C GLU A 36 1.874 -9.692 -2.212 1.00 0.00 C ATOM 498 O GLU A 36 2.629 -9.006 -2.900 1.00 0.00 O ATOM 499 CB GLU A 36 3.686 -11.371 -1.805 1.00 0.00 C ATOM 500 CG GLU A 36 4.064 -12.358 -0.712 1.00 0.00 C ATOM 501 CD GLU A 36 4.419 -13.726 -1.260 1.00 0.00 C ATOM 502 OE1 GLU A 36 4.972 -13.793 -2.378 1.00 0.00 O ATOM 503 OE2 GLU A 36 4.146 -14.731 -0.569 1.00 0.00 O ATOM 0 H GLU A 36 2.296 -12.159 -3.789 1.00 0.00 H new ATOM 0 HA GLU A 36 1.689 -11.452 -1.017 1.00 0.00 H new ATOM 0 HB2 GLU A 36 4.087 -11.723 -2.755 1.00 0.00 H new ATOM 0 HB3 GLU A 36 4.158 -10.411 -1.595 1.00 0.00 H new ATOM 0 HG2 GLU A 36 4.911 -11.965 -0.150 1.00 0.00 H new ATOM 0 HG3 GLU A 36 3.234 -12.455 -0.012 1.00 0.00 H new ATOM 510 N TRP A 37 0.763 -9.213 -1.660 1.00 0.00 N ATOM 511 CA TRP A 37 0.359 -7.824 -1.836 1.00 0.00 C ATOM 512 C TRP A 37 1.049 -6.923 -0.818 1.00 0.00 C ATOM 513 O TRP A 37 1.773 -7.399 0.058 1.00 0.00 O ATOM 514 CB TRP A 37 -1.159 -7.692 -1.704 1.00 0.00 C ATOM 515 CG TRP A 37 -1.909 -8.276 -2.864 1.00 0.00 C ATOM 516 CD1 TRP A 37 -2.105 -9.599 -3.130 1.00 0.00 C ATOM 517 CD2 TRP A 37 -2.562 -7.553 -3.914 1.00 0.00 C ATOM 518 NE1 TRP A 37 -2.840 -9.745 -4.282 1.00 0.00 N ATOM 519 CE2 TRP A 37 -3.133 -8.503 -4.781 1.00 0.00 C ATOM 520 CE3 TRP A 37 -2.721 -6.194 -4.204 1.00 0.00 C ATOM 521 CZ2 TRP A 37 -3.849 -8.138 -5.918 1.00 0.00 C ATOM 522 CZ3 TRP A 37 -3.432 -5.833 -5.333 1.00 0.00 C ATOM 523 CH2 TRP A 37 -3.989 -6.802 -6.177 1.00 0.00 C ATOM 0 H TRP A 37 0.127 -9.768 -1.087 1.00 0.00 H new ATOM 0 HA TRP A 37 0.659 -7.509 -2.835 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -1.481 -8.185 -0.787 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -1.418 -6.638 -1.607 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -1.736 -10.413 -2.524 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -3.121 -10.633 -4.698 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -2.296 -5.440 -3.558 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -4.278 -8.883 -6.572 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -3.560 -4.787 -5.568 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -4.541 -6.488 -7.051 1.00 0.00 H new ATOM 534 N CYS A 38 0.820 -5.619 -0.936 1.00 0.00 N ATOM 535 CA CYS A 38 1.419 -4.651 -0.025 1.00 0.00 C ATOM 536 C CYS A 38 0.567 -3.390 0.068 1.00 0.00 C ATOM 537 O CYS A 38 0.196 -2.802 -0.948 1.00 0.00 O ATOM 538 CB CYS A 38 2.833 -4.292 -0.488 1.00 0.00 C ATOM 539 SG CYS A 38 4.129 -5.332 0.222 1.00 0.00 S ATOM 0 H CYS A 38 0.223 -5.208 -1.654 1.00 0.00 H new ATOM 0 HA CYS A 38 1.471 -5.105 0.964 1.00 0.00 H new ATOM 0 HB2 CYS A 38 2.878 -4.366 -1.575 1.00 0.00 H new ATOM 0 HB3 CYS A 38 3.035 -3.252 -0.231 1.00 0.00 H new ATOM 0 HG CYS A 38 3.699 -6.555 0.319 1.00 0.00 H new ATOM 545 N GLY A 39 0.259 -2.979 1.294 1.00 0.00 N ATOM 546 CA GLY A 39 -0.546 -1.791 1.498 1.00 0.00 C ATOM 547 C GLY A 39 0.298 -0.552 1.729 1.00 0.00 C ATOM 548 O GLY A 39 1.120 -0.515 2.644 1.00 0.00 O ATOM 0 H GLY A 39 0.553 -3.449 2.150 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.185 -1.635 0.629 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -1.204 -1.944 2.354 1.00 0.00 H new ATOM 552 N VAL A 40 0.094 0.464 0.897 1.00 0.00 N ATOM 553 CA VAL A 40 0.844 1.709 1.013 1.00 0.00 C ATOM 554 C VAL A 40 -0.046 2.843 1.510 1.00 0.00 C ATOM 555 O VAL A 40 -1.141 3.060 0.990 1.00 0.00 O ATOM 556 CB VAL A 40 1.469 2.116 -0.334 1.00 0.00 C ATOM 557 CG1 VAL A 40 2.407 3.299 -0.152 1.00 0.00 C ATOM 558 CG2 VAL A 40 2.200 0.939 -0.961 1.00 0.00 C ATOM 0 H VAL A 40 -0.584 0.450 0.135 1.00 0.00 H new ATOM 0 HA VAL A 40 1.640 1.532 1.736 1.00 0.00 H new ATOM 0 HB VAL A 40 0.668 2.418 -1.009 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.839 3.572 -1.115 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.851 4.146 0.250 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.205 3.028 0.540 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.635 1.246 -1.912 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.992 0.604 -0.291 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.498 0.123 -1.130 1.00 0.00 H new ATOM 568 N GLU A 41 0.432 3.563 2.520 1.00 0.00 N ATOM 569 CA GLU A 41 -0.320 4.677 3.088 1.00 0.00 C ATOM 570 C GLU A 41 0.157 6.004 2.507 1.00 0.00 C ATOM 571 O GLU A 41 1.345 6.325 2.559 1.00 0.00 O ATOM 572 CB GLU A 41 -0.178 4.692 4.610 1.00 0.00 C ATOM 573 CG GLU A 41 -1.065 5.720 5.294 1.00 0.00 C ATOM 574 CD GLU A 41 -0.316 6.542 6.326 1.00 0.00 C ATOM 575 OE1 GLU A 41 0.122 5.962 7.342 1.00 0.00 O ATOM 576 OE2 GLU A 41 -0.171 7.765 6.118 1.00 0.00 O ATOM 0 H GLU A 41 1.336 3.395 2.962 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.371 4.544 2.831 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -0.417 3.702 4.999 1.00 0.00 H new ATOM 0 HB3 GLU A 41 0.862 4.893 4.868 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.489 6.386 4.543 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -1.900 5.211 5.776 1.00 0.00 H new ATOM 583 N LEU A 42 -0.775 6.773 1.954 1.00 0.00 N ATOM 584 CA LEU A 42 -0.448 8.065 1.363 1.00 0.00 C ATOM 585 C LEU A 42 -0.752 9.202 2.333 1.00 0.00 C ATOM 586 O LEU A 42 -1.659 9.100 3.159 1.00 0.00 O ATOM 587 CB LEU A 42 -1.227 8.264 0.062 1.00 0.00 C ATOM 588 CG LEU A 42 -0.959 7.218 -1.021 1.00 0.00 C ATOM 589 CD1 LEU A 42 -1.958 7.357 -2.157 1.00 0.00 C ATOM 590 CD2 LEU A 42 0.465 7.345 -1.541 1.00 0.00 C ATOM 0 H LEU A 42 -1.763 6.524 1.903 1.00 0.00 H new ATOM 0 HA LEU A 42 0.620 8.077 1.145 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.293 8.263 0.291 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -0.988 9.249 -0.339 1.00 0.00 H new ATOM 0 HG LEU A 42 -1.078 6.228 -0.581 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.751 6.604 -2.918 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -2.968 7.216 -1.772 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -1.873 8.351 -2.597 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.640 6.594 -2.311 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.610 8.339 -1.964 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.167 7.194 -0.721 1.00 0.00 H new ATOM 602 N ASP A 43 0.014 10.283 2.228 1.00 0.00 N ATOM 603 CA ASP A 43 -0.172 11.439 3.096 1.00 0.00 C ATOM 604 C ASP A 43 -1.397 12.246 2.677 1.00 0.00 C ATOM 605 O ASP A 43 -2.111 12.791 3.519 1.00 0.00 O ATOM 606 CB ASP A 43 1.073 12.329 3.068 1.00 0.00 C ATOM 607 CG ASP A 43 2.322 11.587 3.499 1.00 0.00 C ATOM 608 OD1 ASP A 43 2.223 10.730 4.402 1.00 0.00 O ATOM 609 OD2 ASP A 43 3.402 11.864 2.934 1.00 0.00 O ATOM 0 H ASP A 43 0.770 10.382 1.550 1.00 0.00 H new ATOM 0 HA ASP A 43 -0.330 11.076 4.112 1.00 0.00 H new ATOM 0 HB2 ASP A 43 1.215 12.719 2.060 1.00 0.00 H new ATOM 0 HB3 ASP A 43 0.918 13.186 3.723 1.00 0.00 H new ATOM 614 N GLU A 44 -1.634 12.318 1.371 1.00 0.00 N ATOM 615 CA GLU A 44 -2.773 13.059 0.843 1.00 0.00 C ATOM 616 C GLU A 44 -3.879 12.107 0.391 1.00 0.00 C ATOM 617 O GLU A 44 -3.605 10.995 -0.059 1.00 0.00 O ATOM 618 CB GLU A 44 -2.335 13.943 -0.327 1.00 0.00 C ATOM 619 CG GLU A 44 -1.956 15.355 0.086 1.00 0.00 C ATOM 620 CD GLU A 44 -1.083 16.049 -0.941 1.00 0.00 C ATOM 621 OE1 GLU A 44 0.099 15.664 -1.073 1.00 0.00 O ATOM 622 OE2 GLU A 44 -1.579 16.977 -1.613 1.00 0.00 O ATOM 0 H GLU A 44 -1.053 11.873 0.660 1.00 0.00 H new ATOM 0 HA GLU A 44 -3.165 13.691 1.640 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -1.484 13.478 -0.824 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -3.143 13.991 -1.057 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -2.863 15.940 0.241 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -1.431 15.322 1.041 1.00 0.00 H new ATOM 629 N PRO A 45 -5.150 12.533 0.505 1.00 0.00 N ATOM 630 CA PRO A 45 -6.298 11.711 0.106 1.00 0.00 C ATOM 631 C PRO A 45 -6.207 11.257 -1.348 1.00 0.00 C ATOM 632 O PRO A 45 -6.758 11.897 -2.243 1.00 0.00 O ATOM 633 CB PRO A 45 -7.498 12.646 0.298 1.00 0.00 C ATOM 634 CG PRO A 45 -7.037 13.662 1.285 1.00 0.00 C ATOM 635 CD PRO A 45 -5.567 13.846 1.034 1.00 0.00 C ATOM 0 HA PRO A 45 -6.361 10.793 0.691 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -7.790 13.113 -0.643 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -8.368 12.102 0.667 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -7.575 14.601 1.158 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -7.219 13.325 2.306 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -5.377 14.647 0.319 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -5.031 14.101 1.948 1.00 0.00 H new ATOM 643 N LEU A 46 -5.508 10.150 -1.573 1.00 0.00 N ATOM 644 CA LEU A 46 -5.344 9.610 -2.918 1.00 0.00 C ATOM 645 C LEU A 46 -5.541 8.098 -2.927 1.00 0.00 C ATOM 646 O LEU A 46 -4.960 7.391 -3.750 1.00 0.00 O ATOM 647 CB LEU A 46 -3.958 9.958 -3.465 1.00 0.00 C ATOM 648 CG LEU A 46 -3.561 11.430 -3.341 1.00 0.00 C ATOM 649 CD1 LEU A 46 -2.072 11.561 -3.062 1.00 0.00 C ATOM 650 CD2 LEU A 46 -3.938 12.190 -4.605 1.00 0.00 C ATOM 0 H LEU A 46 -5.046 9.609 -0.842 1.00 0.00 H new ATOM 0 HA LEU A 46 -6.104 10.061 -3.557 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.216 9.353 -2.943 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -3.918 9.675 -4.517 1.00 0.00 H new ATOM 0 HG LEU A 46 -4.105 11.864 -2.502 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -1.809 12.615 -2.977 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.830 11.051 -2.130 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -1.508 11.111 -3.879 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -3.649 13.236 -4.501 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.421 11.754 -5.460 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.015 12.125 -4.761 1.00 0.00 H new ATOM 662 N GLY A 47 -6.363 7.607 -2.004 1.00 0.00 N ATOM 663 CA GLY A 47 -6.622 6.181 -1.922 1.00 0.00 C ATOM 664 C GLY A 47 -8.093 5.848 -2.071 1.00 0.00 C ATOM 665 O GLY A 47 -8.931 6.744 -2.181 1.00 0.00 O ATOM 0 H GLY A 47 -6.854 8.172 -1.311 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -6.056 5.667 -2.699 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -6.263 5.804 -0.964 1.00 0.00 H new ATOM 669 N LYS A 48 -8.408 4.557 -2.074 1.00 0.00 N ATOM 670 CA LYS A 48 -9.788 4.107 -2.211 1.00 0.00 C ATOM 671 C LYS A 48 -10.315 3.562 -0.887 1.00 0.00 C ATOM 672 O LYS A 48 -11.491 3.726 -0.561 1.00 0.00 O ATOM 673 CB LYS A 48 -9.892 3.034 -3.296 1.00 0.00 C ATOM 674 CG LYS A 48 -10.211 3.592 -4.675 1.00 0.00 C ATOM 675 CD LYS A 48 -11.306 2.792 -5.362 1.00 0.00 C ATOM 676 CE LYS A 48 -12.244 3.693 -6.149 1.00 0.00 C ATOM 677 NZ LYS A 48 -11.934 3.680 -7.606 1.00 0.00 N ATOM 0 H LYS A 48 -7.726 3.804 -1.983 1.00 0.00 H new ATOM 0 HA LYS A 48 -10.397 4.964 -2.499 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.952 2.485 -3.344 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.665 2.318 -3.015 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -10.522 4.633 -4.584 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -9.311 3.581 -5.290 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -10.857 2.059 -6.032 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -11.874 2.236 -4.616 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -13.273 3.369 -5.994 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -12.170 4.713 -5.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -12.596 4.307 -8.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -10.960 4.013 -7.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -12.029 2.711 -7.973 1.00 0.00 H new ATOM 691 N ASN A 49 -9.438 2.913 -0.129 1.00 0.00 N ATOM 692 CA ASN A 49 -9.816 2.344 1.159 1.00 0.00 C ATOM 693 C ASN A 49 -8.856 2.794 2.256 1.00 0.00 C ATOM 694 O ASN A 49 -7.900 3.524 1.996 1.00 0.00 O ATOM 695 CB ASN A 49 -9.836 0.816 1.079 1.00 0.00 C ATOM 696 CG ASN A 49 -10.653 0.310 -0.093 1.00 0.00 C ATOM 697 OD1 ASN A 49 -10.128 0.484 -1.301 1.00 0.00 O flip ATOM 698 ND2 ASN A 49 -11.745 -0.232 0.083 1.00 0.00 N flip ATOM 0 H ASN A 49 -8.461 2.768 -0.384 1.00 0.00 H new ATOM 0 HA ASN A 49 -10.815 2.702 1.406 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -8.814 0.446 0.993 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -10.245 0.412 2.005 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -12.112 -0.346 1.028 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -12.283 -0.567 -0.716 1.00 0.00 H new ATOM 705 N ASP A 50 -9.117 2.353 3.483 1.00 0.00 N ATOM 706 CA ASP A 50 -8.276 2.711 4.619 1.00 0.00 C ATOM 707 C ASP A 50 -7.535 1.490 5.154 1.00 0.00 C ATOM 708 O ASP A 50 -7.288 1.379 6.354 1.00 0.00 O ATOM 709 CB ASP A 50 -9.123 3.336 5.729 1.00 0.00 C ATOM 710 CG ASP A 50 -10.188 2.390 6.245 1.00 0.00 C ATOM 711 OD1 ASP A 50 -10.864 1.746 5.414 1.00 0.00 O ATOM 712 OD2 ASP A 50 -10.350 2.293 7.480 1.00 0.00 O ATOM 0 H ASP A 50 -9.904 1.747 3.715 1.00 0.00 H new ATOM 0 HA ASP A 50 -7.540 3.439 4.279 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -8.475 3.633 6.553 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -9.597 4.243 5.354 1.00 0.00 H new ATOM 717 N GLY A 51 -7.183 0.577 4.255 1.00 0.00 N ATOM 718 CA GLY A 51 -6.473 -0.624 4.657 1.00 0.00 C ATOM 719 C GLY A 51 -7.407 -1.782 4.943 1.00 0.00 C ATOM 720 O GLY A 51 -7.121 -2.623 5.796 1.00 0.00 O ATOM 0 H GLY A 51 -7.376 0.647 3.256 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -5.775 -0.910 3.870 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -5.880 -0.411 5.547 1.00 0.00 H new ATOM 724 N ALA A 52 -8.529 -1.827 4.231 1.00 0.00 N ATOM 725 CA ALA A 52 -9.508 -2.890 4.415 1.00 0.00 C ATOM 726 C ALA A 52 -9.986 -3.434 3.073 1.00 0.00 C ATOM 727 O ALA A 52 -10.086 -2.697 2.092 1.00 0.00 O ATOM 728 CB ALA A 52 -10.688 -2.386 5.232 1.00 0.00 C ATOM 0 H ALA A 52 -8.782 -1.139 3.522 1.00 0.00 H new ATOM 0 HA ALA A 52 -9.026 -3.704 4.957 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -11.411 -3.191 5.361 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -10.338 -2.052 6.209 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -11.161 -1.553 4.712 1.00 0.00 H new ATOM 734 N VAL A 53 -10.282 -4.730 3.038 1.00 0.00 N ATOM 735 CA VAL A 53 -10.750 -5.373 1.816 1.00 0.00 C ATOM 736 C VAL A 53 -11.874 -6.361 2.111 1.00 0.00 C ATOM 737 O VAL A 53 -11.745 -7.220 2.984 1.00 0.00 O ATOM 738 CB VAL A 53 -9.608 -6.114 1.096 1.00 0.00 C ATOM 739 CG1 VAL A 53 -10.063 -6.603 -0.269 1.00 0.00 C ATOM 740 CG2 VAL A 53 -8.387 -5.216 0.969 1.00 0.00 C ATOM 0 H VAL A 53 -10.206 -5.354 3.841 1.00 0.00 H new ATOM 0 HA VAL A 53 -11.125 -4.581 1.167 1.00 0.00 H new ATOM 0 HB VAL A 53 -9.332 -6.984 1.692 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -9.242 -7.124 -0.761 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -10.905 -7.285 -0.149 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -10.369 -5.752 -0.877 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -7.590 -5.756 0.458 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -8.648 -4.326 0.396 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -8.047 -4.922 1.962 1.00 0.00 H new ATOM 750 N ALA A 54 -12.976 -6.233 1.380 1.00 0.00 N ATOM 751 CA ALA A 54 -14.122 -7.115 1.564 1.00 0.00 C ATOM 752 C ALA A 54 -14.684 -6.998 2.977 1.00 0.00 C ATOM 753 O ALA A 54 -15.219 -7.961 3.524 1.00 0.00 O ATOM 754 CB ALA A 54 -13.732 -8.555 1.266 1.00 0.00 C ATOM 0 H ALA A 54 -13.100 -5.527 0.654 1.00 0.00 H new ATOM 0 HA ALA A 54 -14.901 -6.809 0.866 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -14.597 -9.203 1.407 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -13.385 -8.632 0.236 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -12.934 -8.863 1.941 1.00 0.00 H new ATOM 760 N GLY A 55 -14.557 -5.812 3.561 1.00 0.00 N ATOM 761 CA GLY A 55 -15.057 -5.591 4.906 1.00 0.00 C ATOM 762 C GLY A 55 -14.130 -6.146 5.968 1.00 0.00 C ATOM 763 O GLY A 55 -14.575 -6.539 7.046 1.00 0.00 O ATOM 0 H GLY A 55 -14.117 -5.000 3.128 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -15.192 -4.522 5.069 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -16.038 -6.055 5.006 1.00 0.00 H new ATOM 767 N THR A 56 -12.836 -6.179 5.663 1.00 0.00 N ATOM 768 CA THR A 56 -11.842 -6.692 6.600 1.00 0.00 C ATOM 769 C THR A 56 -10.623 -5.777 6.653 1.00 0.00 C ATOM 770 O THR A 56 -9.824 -5.735 5.719 1.00 0.00 O ATOM 771 CB THR A 56 -11.417 -8.106 6.202 1.00 0.00 C ATOM 772 OG1 THR A 56 -12.550 -8.929 5.987 1.00 0.00 O ATOM 773 CG2 THR A 56 -10.548 -8.783 7.240 1.00 0.00 C ATOM 0 H THR A 56 -12.452 -5.857 4.775 1.00 0.00 H new ATOM 0 HA THR A 56 -12.294 -6.723 7.591 1.00 0.00 H new ATOM 0 HB THR A 56 -10.837 -7.987 5.287 1.00 0.00 H new ATOM 0 HG1 THR A 56 -12.257 -9.829 5.732 1.00 0.00 H new ATOM 0 HG21 THR A 56 -10.282 -9.782 6.896 1.00 0.00 H new ATOM 0 HG22 THR A 56 -9.641 -8.198 7.393 1.00 0.00 H new ATOM 0 HG23 THR A 56 -11.095 -8.857 8.180 1.00 0.00 H new ATOM 781 N ARG A 57 -10.487 -5.045 7.754 1.00 0.00 N ATOM 782 CA ARG A 57 -9.365 -4.130 7.931 1.00 0.00 C ATOM 783 C ARG A 57 -8.197 -4.829 8.620 1.00 0.00 C ATOM 784 O ARG A 57 -8.336 -5.343 9.730 1.00 0.00 O ATOM 785 CB ARG A 57 -9.799 -2.909 8.742 1.00 0.00 C ATOM 786 CG ARG A 57 -8.679 -1.911 8.991 1.00 0.00 C ATOM 787 CD ARG A 57 -9.214 -0.497 9.153 1.00 0.00 C ATOM 788 NE ARG A 57 -9.585 -0.207 10.537 1.00 0.00 N ATOM 789 CZ ARG A 57 -10.800 -0.413 11.043 1.00 0.00 C ATOM 790 NH1 ARG A 57 -11.769 -0.916 10.289 1.00 0.00 N ATOM 791 NH2 ARG A 57 -11.047 -0.114 12.311 1.00 0.00 N ATOM 0 H ARG A 57 -11.140 -5.068 8.537 1.00 0.00 H new ATOM 0 HA ARG A 57 -9.036 -3.802 6.945 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -10.612 -2.406 8.218 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -10.196 -3.243 9.701 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -8.129 -2.197 9.887 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.973 -1.941 8.161 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -8.459 0.216 8.823 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -10.083 -0.362 8.509 1.00 0.00 H new ATOM 0 HE ARG A 57 -8.869 0.177 11.154 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -11.587 -1.149 9.313 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -12.696 -1.070 10.686 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -10.307 0.273 12.897 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -11.977 -0.271 12.700 1.00 0.00 H new ATOM 805 N TYR A 58 -7.047 -4.844 7.954 1.00 0.00 N ATOM 806 CA TYR A 58 -5.855 -5.480 8.501 1.00 0.00 C ATOM 807 C TYR A 58 -5.043 -4.491 9.332 1.00 0.00 C ATOM 808 O TYR A 58 -4.751 -4.740 10.501 1.00 0.00 O ATOM 809 CB TYR A 58 -4.990 -6.046 7.374 1.00 0.00 C ATOM 810 CG TYR A 58 -5.722 -7.022 6.481 1.00 0.00 C ATOM 811 CD1 TYR A 58 -6.622 -6.575 5.522 1.00 0.00 C ATOM 812 CD2 TYR A 58 -5.514 -8.391 6.598 1.00 0.00 C ATOM 813 CE1 TYR A 58 -7.294 -7.465 4.704 1.00 0.00 C ATOM 814 CE2 TYR A 58 -6.181 -9.286 5.784 1.00 0.00 C ATOM 815 CZ TYR A 58 -7.070 -8.819 4.839 1.00 0.00 C ATOM 816 OH TYR A 58 -7.737 -9.707 4.027 1.00 0.00 O ATOM 0 H TYR A 58 -6.916 -4.423 7.034 1.00 0.00 H new ATOM 0 HA TYR A 58 -6.175 -6.296 9.149 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -4.614 -5.222 6.767 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -4.123 -6.544 7.808 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -6.800 -5.515 5.413 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -4.819 -8.761 7.337 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -7.991 -7.101 3.963 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -6.007 -10.347 5.887 1.00 0.00 H new ATOM 0 HH TYR A 58 -7.465 -10.622 4.250 1.00 0.00 H new ATOM 826 N PHE A 59 -4.682 -3.367 8.719 1.00 0.00 N ATOM 827 CA PHE A 59 -3.903 -2.340 9.403 1.00 0.00 C ATOM 828 C PHE A 59 -4.719 -1.063 9.573 1.00 0.00 C ATOM 829 O PHE A 59 -5.318 -0.565 8.620 1.00 0.00 O ATOM 830 CB PHE A 59 -2.621 -2.041 8.625 1.00 0.00 C ATOM 831 CG PHE A 59 -2.868 -1.478 7.254 1.00 0.00 C ATOM 832 CD1 PHE A 59 -3.176 -2.315 6.192 1.00 0.00 C ATOM 833 CD2 PHE A 59 -2.792 -0.114 7.027 1.00 0.00 C ATOM 834 CE1 PHE A 59 -3.403 -1.800 4.930 1.00 0.00 C ATOM 835 CE2 PHE A 59 -3.019 0.406 5.766 1.00 0.00 C ATOM 836 CZ PHE A 59 -3.325 -0.438 4.717 1.00 0.00 C ATOM 0 H PHE A 59 -4.916 -3.145 7.751 1.00 0.00 H new ATOM 0 HA PHE A 59 -3.640 -2.716 10.392 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -2.016 -1.336 9.195 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -2.039 -2.958 8.533 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -3.239 -3.381 6.353 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -2.553 0.551 7.844 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -3.641 -2.462 4.111 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -2.957 1.472 5.602 1.00 0.00 H new ATOM 0 HZ PHE A 59 -3.503 -0.034 3.732 1.00 0.00 H new ATOM 846 N GLN A 60 -4.737 -0.536 10.793 1.00 0.00 N ATOM 847 CA GLN A 60 -5.478 0.684 11.088 1.00 0.00 C ATOM 848 C GLN A 60 -4.881 1.876 10.346 1.00 0.00 C ATOM 849 O GLN A 60 -3.663 2.053 10.313 1.00 0.00 O ATOM 850 CB GLN A 60 -5.478 0.954 12.594 1.00 0.00 C ATOM 851 CG GLN A 60 -6.393 2.096 13.007 1.00 0.00 C ATOM 852 CD GLN A 60 -7.843 1.842 12.643 1.00 0.00 C ATOM 853 OE1 GLN A 60 -8.445 0.866 13.091 1.00 0.00 O ATOM 854 NE2 GLN A 60 -8.412 2.721 11.826 1.00 0.00 N ATOM 0 H GLN A 60 -4.247 -0.935 11.593 1.00 0.00 H new ATOM 0 HA GLN A 60 -6.505 0.546 10.751 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -5.783 0.048 13.117 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -4.461 1.180 12.914 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -6.314 2.249 14.083 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -6.058 3.016 12.529 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -7.875 3.516 11.478 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -9.386 2.601 11.546 1.00 0.00 H new ATOM 863 N CYS A 61 -5.747 2.692 9.753 1.00 0.00 N ATOM 864 CA CYS A 61 -5.305 3.866 9.012 1.00 0.00 C ATOM 865 C CYS A 61 -6.482 4.791 8.703 1.00 0.00 C ATOM 866 O CYS A 61 -7.605 4.329 8.497 1.00 0.00 O ATOM 867 CB CYS A 61 -4.618 3.445 7.711 1.00 0.00 C ATOM 868 SG CYS A 61 -2.817 3.346 7.827 1.00 0.00 S ATOM 0 H CYS A 61 -6.758 2.561 9.772 1.00 0.00 H new ATOM 0 HA CYS A 61 -4.592 4.409 9.633 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -5.006 2.473 7.406 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -4.883 4.154 6.927 1.00 0.00 H new ATOM 0 HG CYS A 61 -2.485 2.775 8.947 1.00 0.00 H new ATOM 874 N PRO A 62 -6.240 6.112 8.668 1.00 0.00 N ATOM 875 CA PRO A 62 -7.288 7.099 8.381 1.00 0.00 C ATOM 876 C PRO A 62 -8.014 6.805 7.072 1.00 0.00 C ATOM 877 O PRO A 62 -7.578 5.962 6.287 1.00 0.00 O ATOM 878 CB PRO A 62 -6.521 8.420 8.281 1.00 0.00 C ATOM 879 CG PRO A 62 -5.276 8.202 9.070 1.00 0.00 C ATOM 880 CD PRO A 62 -4.930 6.749 8.901 1.00 0.00 C ATOM 0 HA PRO A 62 -8.065 7.101 9.146 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -6.293 8.667 7.244 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -7.105 9.247 8.685 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -4.469 8.840 8.710 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -5.432 8.447 10.121 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -4.252 6.592 8.062 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -4.439 6.347 9.787 1.00 0.00 H new ATOM 888 N PRO A 63 -9.136 7.500 6.816 1.00 0.00 N ATOM 889 CA PRO A 63 -9.921 7.307 5.592 1.00 0.00 C ATOM 890 C PRO A 63 -9.178 7.787 4.350 1.00 0.00 C ATOM 891 O PRO A 63 -8.581 8.864 4.348 1.00 0.00 O ATOM 892 CB PRO A 63 -11.171 8.158 5.829 1.00 0.00 C ATOM 893 CG PRO A 63 -10.749 9.189 6.818 1.00 0.00 C ATOM 894 CD PRO A 63 -9.726 8.524 7.696 1.00 0.00 C ATOM 0 HA PRO A 63 -10.137 6.255 5.409 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -11.518 8.617 4.903 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -11.993 7.554 6.213 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -10.327 10.060 6.318 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -11.599 9.539 7.404 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -8.976 9.233 8.047 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -10.183 8.079 8.580 1.00 0.00 H new ATOM 902 N LYS A 64 -9.216 6.980 3.295 1.00 0.00 N ATOM 903 CA LYS A 64 -8.544 7.322 2.046 1.00 0.00 C ATOM 904 C LYS A 64 -7.039 7.451 2.256 1.00 0.00 C ATOM 905 O LYS A 64 -6.365 8.203 1.550 1.00 0.00 O ATOM 906 CB LYS A 64 -9.107 8.629 1.481 1.00 0.00 C ATOM 907 CG LYS A 64 -10.213 8.423 0.458 1.00 0.00 C ATOM 908 CD LYS A 64 -11.589 8.490 1.104 1.00 0.00 C ATOM 909 CE LYS A 64 -12.241 7.118 1.172 1.00 0.00 C ATOM 910 NZ LYS A 64 -12.940 6.772 -0.097 1.00 0.00 N ATOM 0 H LYS A 64 -9.705 6.085 3.280 1.00 0.00 H new ATOM 0 HA LYS A 64 -8.725 6.518 1.332 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -9.491 9.234 2.302 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -8.297 9.194 1.020 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -10.137 9.183 -0.319 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -10.085 7.456 -0.028 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -11.500 8.902 2.109 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -12.226 9.169 0.536 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -11.482 6.365 1.385 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -12.953 7.095 1.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -13.371 5.830 -0.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -13.682 7.476 -0.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -12.256 6.769 -0.880 1.00 0.00 H new ATOM 924 N PHE A 65 -6.516 6.714 3.231 1.00 0.00 N ATOM 925 CA PHE A 65 -5.089 6.746 3.533 1.00 0.00 C ATOM 926 C PHE A 65 -4.487 5.345 3.474 1.00 0.00 C ATOM 927 O PHE A 65 -3.526 5.042 4.180 1.00 0.00 O ATOM 928 CB PHE A 65 -4.854 7.356 4.917 1.00 0.00 C ATOM 929 CG PHE A 65 -4.623 8.840 4.888 1.00 0.00 C ATOM 930 CD1 PHE A 65 -5.543 9.686 4.290 1.00 0.00 C ATOM 931 CD2 PHE A 65 -3.485 9.389 5.459 1.00 0.00 C ATOM 932 CE1 PHE A 65 -5.334 11.053 4.262 1.00 0.00 C ATOM 933 CE2 PHE A 65 -3.270 10.754 5.433 1.00 0.00 C ATOM 934 CZ PHE A 65 -4.196 11.586 4.834 1.00 0.00 C ATOM 0 H PHE A 65 -7.059 6.087 3.825 1.00 0.00 H new ATOM 0 HA PHE A 65 -4.598 7.364 2.781 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -5.715 7.143 5.550 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -3.993 6.871 5.377 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -6.434 9.273 3.840 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -2.759 8.743 5.929 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -6.059 11.702 3.794 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -2.379 11.170 5.880 1.00 0.00 H new ATOM 0 HZ PHE A 65 -4.030 12.653 4.813 1.00 0.00 H new ATOM 944 N GLY A 66 -5.060 4.495 2.628 1.00 0.00 N ATOM 945 CA GLY A 66 -4.566 3.138 2.494 1.00 0.00 C ATOM 946 C GLY A 66 -4.822 2.560 1.115 1.00 0.00 C ATOM 947 O GLY A 66 -5.970 2.353 0.725 1.00 0.00 O ATOM 0 H GLY A 66 -5.857 4.722 2.033 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -3.495 3.123 2.698 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -5.042 2.506 3.244 1.00 0.00 H new ATOM 951 N LEU A 67 -3.748 2.301 0.377 1.00 0.00 N ATOM 952 CA LEU A 67 -3.861 1.745 -0.967 1.00 0.00 C ATOM 953 C LEU A 67 -3.306 0.324 -1.015 1.00 0.00 C ATOM 954 O LEU A 67 -2.295 0.020 -0.384 1.00 0.00 O ATOM 955 CB LEU A 67 -3.118 2.628 -1.972 1.00 0.00 C ATOM 956 CG LEU A 67 -3.398 2.312 -3.441 1.00 0.00 C ATOM 957 CD1 LEU A 67 -4.876 2.490 -3.754 1.00 0.00 C ATOM 958 CD2 LEU A 67 -2.550 3.194 -4.346 1.00 0.00 C ATOM 0 H LEU A 67 -2.790 2.467 0.686 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.918 1.714 -1.233 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -3.382 3.669 -1.783 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.047 2.533 -1.793 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.132 1.271 -3.626 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.056 2.261 -4.804 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -5.464 1.817 -3.130 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -5.169 3.520 -3.552 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.762 2.956 -5.388 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.786 4.241 -4.158 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.494 3.017 -4.141 1.00 0.00 H new ATOM 970 N PHE A 68 -3.977 -0.543 -1.769 1.00 0.00 N ATOM 971 CA PHE A 68 -3.551 -1.931 -1.899 1.00 0.00 C ATOM 972 C PHE A 68 -3.015 -2.206 -3.300 1.00 0.00 C ATOM 973 O PHE A 68 -3.732 -2.056 -4.291 1.00 0.00 O ATOM 974 CB PHE A 68 -4.717 -2.874 -1.593 1.00 0.00 C ATOM 975 CG PHE A 68 -4.976 -3.050 -0.124 1.00 0.00 C ATOM 976 CD1 PHE A 68 -4.005 -3.593 0.704 1.00 0.00 C ATOM 977 CD2 PHE A 68 -6.190 -2.675 0.428 1.00 0.00 C ATOM 978 CE1 PHE A 68 -4.241 -3.756 2.056 1.00 0.00 C ATOM 979 CE2 PHE A 68 -6.432 -2.836 1.780 1.00 0.00 C ATOM 980 CZ PHE A 68 -5.455 -3.378 2.594 1.00 0.00 C ATOM 0 H PHE A 68 -4.817 -0.308 -2.298 1.00 0.00 H new ATOM 0 HA PHE A 68 -2.750 -2.109 -1.181 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -5.619 -2.490 -2.069 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -4.512 -3.848 -2.037 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -3.054 -3.892 0.288 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -6.956 -2.252 -0.205 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -3.476 -4.179 2.691 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -7.382 -2.539 2.199 1.00 0.00 H new ATOM 0 HZ PHE A 68 -5.641 -3.506 3.650 1.00 0.00 H new ATOM 990 N ALA A 69 -1.752 -2.611 -3.376 1.00 0.00 N ATOM 991 CA ALA A 69 -1.119 -2.907 -4.656 1.00 0.00 C ATOM 992 C ALA A 69 -0.089 -4.024 -4.511 1.00 0.00 C ATOM 993 O ALA A 69 0.536 -4.171 -3.462 1.00 0.00 O ATOM 994 CB ALA A 69 -0.469 -1.655 -5.225 1.00 0.00 C ATOM 0 H ALA A 69 -1.146 -2.742 -2.566 1.00 0.00 H new ATOM 0 HA ALA A 69 -1.890 -3.247 -5.347 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.000 -1.891 -6.180 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -1.227 -0.886 -5.373 1.00 0.00 H new ATOM 0 HB3 ALA A 69 0.287 -1.290 -4.530 1.00 0.00 H new ATOM 1000 N PRO A 70 0.104 -4.829 -5.571 1.00 0.00 N ATOM 1001 CA PRO A 70 1.066 -5.935 -5.556 1.00 0.00 C ATOM 1002 C PRO A 70 2.462 -5.483 -5.140 1.00 0.00 C ATOM 1003 O PRO A 70 2.846 -4.335 -5.368 1.00 0.00 O ATOM 1004 CB PRO A 70 1.072 -6.425 -7.006 1.00 0.00 C ATOM 1005 CG PRO A 70 -0.250 -6.012 -7.553 1.00 0.00 C ATOM 1006 CD PRO A 70 -0.599 -4.723 -6.864 1.00 0.00 C ATOM 0 HA PRO A 70 0.789 -6.704 -4.835 1.00 0.00 H new ATOM 0 HB2 PRO A 70 1.891 -5.979 -7.571 1.00 0.00 H new ATOM 0 HB3 PRO A 70 1.201 -7.506 -7.058 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -0.200 -5.876 -8.633 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -1.006 -6.773 -7.362 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -0.263 -3.858 -7.435 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -1.675 -4.617 -6.729 1.00 0.00 H new ATOM 1014 N ILE A 71 3.216 -6.392 -4.529 1.00 0.00 N ATOM 1015 CA ILE A 71 4.569 -6.085 -4.080 1.00 0.00 C ATOM 1016 C ILE A 71 5.462 -5.688 -5.253 1.00 0.00 C ATOM 1017 O ILE A 71 6.203 -4.707 -5.176 1.00 0.00 O ATOM 1018 CB ILE A 71 5.201 -7.283 -3.341 1.00 0.00 C ATOM 1019 CG1 ILE A 71 6.577 -6.906 -2.788 1.00 0.00 C ATOM 1020 CG2 ILE A 71 5.306 -8.486 -4.267 1.00 0.00 C ATOM 1021 CD1 ILE A 71 6.847 -7.466 -1.408 1.00 0.00 C ATOM 0 H ILE A 71 2.913 -7.346 -4.334 1.00 0.00 H new ATOM 0 HA ILE A 71 4.492 -5.245 -3.390 1.00 0.00 H new ATOM 0 HB ILE A 71 4.557 -7.551 -2.504 1.00 0.00 H new ATOM 0 HG12 ILE A 71 7.346 -7.263 -3.473 1.00 0.00 H new ATOM 0 HG13 ILE A 71 6.661 -5.820 -2.753 1.00 0.00 H new ATOM 0 HG21 ILE A 71 5.754 -9.321 -3.729 1.00 0.00 H new ATOM 0 HG22 ILE A 71 4.311 -8.768 -4.611 1.00 0.00 H new ATOM 0 HG23 ILE A 71 5.928 -8.232 -5.125 1.00 0.00 H new ATOM 0 HD11 ILE A 71 7.840 -7.159 -1.079 1.00 0.00 H new ATOM 0 HD12 ILE A 71 6.100 -7.088 -0.710 1.00 0.00 H new ATOM 0 HD13 ILE A 71 6.796 -8.554 -1.441 1.00 0.00 H new ATOM 1033 N HIS A 72 5.386 -6.454 -6.336 1.00 0.00 N ATOM 1034 CA HIS A 72 6.189 -6.178 -7.522 1.00 0.00 C ATOM 1035 C HIS A 72 5.818 -4.831 -8.141 1.00 0.00 C ATOM 1036 O HIS A 72 6.572 -4.279 -8.941 1.00 0.00 O ATOM 1037 CB HIS A 72 6.016 -7.294 -8.555 1.00 0.00 C ATOM 1038 CG HIS A 72 4.596 -7.509 -8.977 1.00 0.00 C ATOM 1039 ND1 HIS A 72 3.911 -7.001 -10.034 1.00 0.00 N flip ATOM 1040 CD2 HIS A 72 3.708 -8.318 -8.303 1.00 0.00 C flip ATOM 1041 CE1 HIS A 72 2.609 -7.495 -10.013 1.00 0.00 C flip ATOM 1042 NE2 HIS A 72 2.540 -8.280 -8.957 1.00 0.00 N flip ATOM 0 H HIS A 72 4.778 -7.269 -6.417 1.00 0.00 H new ATOM 0 HA HIS A 72 7.234 -6.135 -7.214 1.00 0.00 H new ATOM 0 HB2 HIS A 72 6.615 -7.059 -9.435 1.00 0.00 H new ATOM 0 HB3 HIS A 72 6.408 -8.223 -8.142 1.00 0.00 H new ATOM 0 HD1 HIS A 72 4.290 -6.360 -10.732 1.00 0.00 H new ATOM 0 HD2 HIS A 72 3.917 -8.883 -7.406 1.00 0.00 H new ATOM 0 HE1 HIS A 72 1.819 -7.279 -10.717 1.00 0.00 H new ATOM 1050 N LYS A 73 4.653 -4.305 -7.766 1.00 0.00 N ATOM 1051 CA LYS A 73 4.193 -3.023 -8.286 1.00 0.00 C ATOM 1052 C LYS A 73 4.563 -1.881 -7.342 1.00 0.00 C ATOM 1053 O LYS A 73 3.944 -0.818 -7.370 1.00 0.00 O ATOM 1054 CB LYS A 73 2.678 -3.050 -8.500 1.00 0.00 C ATOM 1055 CG LYS A 73 2.239 -3.957 -9.636 1.00 0.00 C ATOM 1056 CD LYS A 73 2.750 -3.458 -10.978 1.00 0.00 C ATOM 1057 CE LYS A 73 2.313 -4.368 -12.114 1.00 0.00 C ATOM 1058 NZ LYS A 73 2.318 -3.662 -13.425 1.00 0.00 N ATOM 0 H LYS A 73 4.014 -4.747 -7.106 1.00 0.00 H new ATOM 0 HA LYS A 73 4.688 -2.852 -9.242 1.00 0.00 H new ATOM 0 HB2 LYS A 73 2.195 -3.376 -7.579 1.00 0.00 H new ATOM 0 HB3 LYS A 73 2.330 -2.037 -8.700 1.00 0.00 H new ATOM 0 HG2 LYS A 73 2.607 -4.968 -9.459 1.00 0.00 H new ATOM 0 HG3 LYS A 73 1.151 -4.013 -9.658 1.00 0.00 H new ATOM 0 HD2 LYS A 73 2.380 -2.448 -11.157 1.00 0.00 H new ATOM 0 HD3 LYS A 73 3.838 -3.400 -10.955 1.00 0.00 H new ATOM 0 HE2 LYS A 73 2.977 -5.231 -12.164 1.00 0.00 H new ATOM 0 HE3 LYS A 73 1.312 -4.748 -11.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 2.014 -4.317 -14.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 1.665 -2.853 -13.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 3.279 -3.322 -13.632 1.00 0.00 H new ATOM 1072 N VAL A 74 5.574 -2.106 -6.507 1.00 0.00 N ATOM 1073 CA VAL A 74 6.021 -1.092 -5.559 1.00 0.00 C ATOM 1074 C VAL A 74 7.454 -0.659 -5.853 1.00 0.00 C ATOM 1075 O VAL A 74 8.325 -1.492 -6.108 1.00 0.00 O ATOM 1076 CB VAL A 74 5.940 -1.604 -4.107 1.00 0.00 C ATOM 1077 CG1 VAL A 74 6.259 -0.487 -3.125 1.00 0.00 C ATOM 1078 CG2 VAL A 74 4.566 -2.195 -3.824 1.00 0.00 C ATOM 0 H VAL A 74 6.098 -2.980 -6.468 1.00 0.00 H new ATOM 0 HA VAL A 74 5.354 -0.237 -5.673 1.00 0.00 H new ATOM 0 HB VAL A 74 6.683 -2.391 -3.979 1.00 0.00 H new ATOM 0 HG11 VAL A 74 6.196 -0.869 -2.106 1.00 0.00 H new ATOM 0 HG12 VAL A 74 7.266 -0.115 -3.312 1.00 0.00 H new ATOM 0 HG13 VAL A 74 5.543 0.325 -3.253 1.00 0.00 H new ATOM 0 HG21 VAL A 74 4.528 -2.551 -2.794 1.00 0.00 H new ATOM 0 HG22 VAL A 74 3.804 -1.430 -3.972 1.00 0.00 H new ATOM 0 HG23 VAL A 74 4.381 -3.028 -4.503 1.00 0.00 H new ATOM 1088 N ILE A 75 7.690 0.648 -5.818 1.00 0.00 N ATOM 1089 CA ILE A 75 9.017 1.192 -6.081 1.00 0.00 C ATOM 1090 C ILE A 75 9.576 1.894 -4.849 1.00 0.00 C ATOM 1091 O ILE A 75 8.846 2.561 -4.116 1.00 0.00 O ATOM 1092 CB ILE A 75 8.994 2.187 -7.257 1.00 0.00 C ATOM 1093 CG1 ILE A 75 8.252 1.582 -8.451 1.00 0.00 C ATOM 1094 CG2 ILE A 75 10.411 2.578 -7.649 1.00 0.00 C ATOM 1095 CD1 ILE A 75 7.855 2.603 -9.495 1.00 0.00 C ATOM 0 H ILE A 75 6.980 1.350 -5.610 1.00 0.00 H new ATOM 0 HA ILE A 75 9.658 0.350 -6.340 1.00 0.00 H new ATOM 0 HB ILE A 75 8.465 3.086 -6.942 1.00 0.00 H new ATOM 0 HG12 ILE A 75 8.884 0.825 -8.916 1.00 0.00 H new ATOM 0 HG13 ILE A 75 7.357 1.073 -8.093 1.00 0.00 H new ATOM 0 HG21 ILE A 75 10.377 3.281 -8.481 1.00 0.00 H new ATOM 0 HG22 ILE A 75 10.908 3.045 -6.799 1.00 0.00 H new ATOM 0 HG23 ILE A 75 10.964 1.688 -7.948 1.00 0.00 H new ATOM 0 HD11 ILE A 75 7.334 2.104 -10.312 1.00 0.00 H new ATOM 0 HD12 ILE A 75 7.197 3.347 -9.045 1.00 0.00 H new ATOM 0 HD13 ILE A 75 8.748 3.095 -9.881 1.00 0.00 H new ATOM 1107 N ARG A 76 10.878 1.740 -4.627 1.00 0.00 N ATOM 1108 CA ARG A 76 11.537 2.360 -3.482 1.00 0.00 C ATOM 1109 C ARG A 76 12.265 3.635 -3.900 1.00 0.00 C ATOM 1110 O ARG A 76 13.145 3.605 -4.759 1.00 0.00 O ATOM 1111 CB ARG A 76 12.521 1.378 -2.842 1.00 0.00 C ATOM 1112 CG ARG A 76 12.411 1.310 -1.328 1.00 0.00 C ATOM 1113 CD ARG A 76 12.552 -0.117 -0.821 1.00 0.00 C ATOM 1114 NE ARG A 76 12.673 -0.173 0.633 1.00 0.00 N ATOM 1115 CZ ARG A 76 13.058 -1.255 1.304 1.00 0.00 C ATOM 1116 NH1 ARG A 76 13.359 -2.374 0.656 1.00 0.00 N ATOM 1117 NH2 ARG A 76 13.142 -1.220 2.627 1.00 0.00 N ATOM 0 H ARG A 76 11.497 1.192 -5.224 1.00 0.00 H new ATOM 0 HA ARG A 76 10.773 2.624 -2.750 1.00 0.00 H new ATOM 0 HB2 ARG A 76 12.351 0.384 -3.256 1.00 0.00 H new ATOM 0 HB3 ARG A 76 13.537 1.666 -3.112 1.00 0.00 H new ATOM 0 HG2 ARG A 76 13.183 1.935 -0.878 1.00 0.00 H new ATOM 0 HG3 ARG A 76 11.449 1.715 -1.014 1.00 0.00 H new ATOM 0 HD2 ARG A 76 11.686 -0.700 -1.135 1.00 0.00 H new ATOM 0 HD3 ARG A 76 13.429 -0.578 -1.276 1.00 0.00 H new ATOM 0 HE ARG A 76 12.449 0.667 1.166 1.00 0.00 H new ATOM 0 HH11 ARG A 76 13.296 -2.407 -0.361 1.00 0.00 H new ATOM 0 HH12 ARG A 76 13.654 -3.201 1.176 1.00 0.00 H new ATOM 0 HH21 ARG A 76 12.911 -0.363 3.130 1.00 0.00 H new ATOM 0 HH22 ARG A 76 13.437 -2.050 3.141 1.00 0.00 H new ATOM 1131 N ILE A 77 11.890 4.752 -3.285 1.00 0.00 N ATOM 1132 CA ILE A 77 12.507 6.037 -3.592 1.00 0.00 C ATOM 1133 C ILE A 77 12.698 6.872 -2.331 1.00 0.00 C ATOM 1134 O ILE A 77 11.741 7.424 -1.789 1.00 0.00 O ATOM 1135 CB ILE A 77 11.665 6.840 -4.603 1.00 0.00 C ATOM 1136 CG1 ILE A 77 10.184 6.797 -4.219 1.00 0.00 C ATOM 1137 CG2 ILE A 77 11.870 6.300 -6.010 1.00 0.00 C ATOM 1138 CD1 ILE A 77 9.402 8.002 -4.693 1.00 0.00 C ATOM 0 H ILE A 77 11.162 4.793 -2.572 1.00 0.00 H new ATOM 0 HA ILE A 77 13.480 5.821 -4.032 1.00 0.00 H new ATOM 0 HB ILE A 77 11.994 7.879 -4.582 1.00 0.00 H new ATOM 0 HG12 ILE A 77 9.735 5.896 -4.636 1.00 0.00 H new ATOM 0 HG13 ILE A 77 10.100 6.723 -3.135 1.00 0.00 H new ATOM 0 HG21 ILE A 77 11.269 6.877 -6.712 1.00 0.00 H new ATOM 0 HG22 ILE A 77 12.923 6.381 -6.281 1.00 0.00 H new ATOM 0 HG23 ILE A 77 11.566 5.254 -6.046 1.00 0.00 H new ATOM 0 HD11 ILE A 77 8.361 7.904 -4.386 1.00 0.00 H new ATOM 0 HD12 ILE A 77 9.826 8.906 -4.256 1.00 0.00 H new ATOM 0 HD13 ILE A 77 9.455 8.066 -5.780 1.00 0.00 H new