USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 612 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 6 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0121) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -171:sc= -0.0157 (180deg=-0.162) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 TYR OH : rot -154:sc= 0.446 USER MOD Single : A 31 THR OG1 : rot 93:sc= 1.25 USER MOD Single : A 33 GLN : amide:sc= 0.00613 K(o=0.0061,f=-5.9!) USER MOD Single : A 34 SER OG : rot 63:sc= 1.29 USER MOD Single : A 35 GLN : amide:sc= -0.0886 X(o=-0.089,f=-0.049) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -0.513 K(o=-0.51,f=-4.1!) USER MOD Single : A 42 LYS NZ :NH3+ 153:sc= 1.13 (180deg=0.64) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -0.286 K(o=-0.29,f=-3!) USER MOD Single : A 53 THR OG1 : rot 68:sc= 0.919 USER MOD Single : A 58 TYR OH : rot 90:sc= -1.45 USER MOD Single : A 60 GLN : amide:sc= 0.736 K(o=0.74,f=-0.025) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 84:sc= 0.865 USER MOD Single : A 68 GLN : amide:sc= -0.223 X(o=-0.22,f=-0.047) USER MOD Single : A 71 SER OG : rot 60:sc= 1.2 USER MOD ----------------------------------------------------------------- ATOM 77 N LYS A 6 -7.661 -9.197 -2.084 1.00 0.00 N ATOM 78 CA LYS A 6 -6.318 -9.369 -1.578 1.00 0.00 C ATOM 79 C LYS A 6 -5.483 -8.166 -1.898 1.00 0.00 C ATOM 80 O LYS A 6 -5.482 -7.671 -3.027 1.00 0.00 O ATOM 81 CB LYS A 6 -5.653 -10.660 -2.094 1.00 0.00 C ATOM 82 CG LYS A 6 -6.384 -11.946 -1.699 1.00 0.00 C ATOM 83 CD LYS A 6 -5.550 -13.200 -1.987 1.00 0.00 C ATOM 84 CE LYS A 6 -5.255 -13.402 -3.472 1.00 0.00 C ATOM 85 NZ LYS A 6 -6.471 -13.697 -4.255 1.00 0.00 N ATOM 0 HA LYS A 6 -6.390 -9.470 -0.495 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -5.588 -10.612 -3.181 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -4.632 -10.705 -1.715 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -6.629 -11.911 -0.637 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -7.327 -12.007 -2.242 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -4.608 -13.134 -1.442 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -6.078 -14.074 -1.606 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -4.779 -12.506 -3.870 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -4.544 -14.219 -3.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -6.211 -13.876 -5.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -6.941 -14.538 -3.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -7.119 -12.885 -4.208 1.00 0.00 H new ATOM 99 N LEU A 7 -4.789 -7.692 -0.912 1.00 0.00 N ATOM 100 CA LEU A 7 -4.010 -6.508 -1.049 1.00 0.00 C ATOM 101 C LEU A 7 -2.627 -6.836 -1.516 1.00 0.00 C ATOM 102 O LEU A 7 -1.765 -7.260 -0.733 1.00 0.00 O ATOM 103 CB LEU A 7 -3.971 -5.692 0.250 1.00 0.00 C ATOM 104 CG LEU A 7 -5.300 -5.098 0.743 1.00 0.00 C ATOM 105 CD1 LEU A 7 -5.976 -4.289 -0.337 1.00 0.00 C ATOM 106 CD2 LEU A 7 -6.236 -6.145 1.313 1.00 0.00 C ATOM 0 H LEU A 7 -4.748 -8.119 0.013 1.00 0.00 H new ATOM 0 HA LEU A 7 -4.492 -5.887 -1.804 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -3.572 -6.330 1.039 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -3.264 -4.873 0.114 1.00 0.00 H new ATOM 0 HG LEU A 7 -5.051 -4.425 1.564 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -6.913 -3.883 0.045 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -5.323 -3.471 -0.641 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -6.181 -4.928 -1.196 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -7.158 -5.667 1.645 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -6.466 -6.884 0.545 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -5.758 -6.638 2.159 1.00 0.00 H new ATOM 118 N VAL A 8 -2.443 -6.709 -2.788 1.00 0.00 N ATOM 119 CA VAL A 8 -1.180 -6.935 -3.393 1.00 0.00 C ATOM 120 C VAL A 8 -0.571 -5.588 -3.713 1.00 0.00 C ATOM 121 O VAL A 8 -1.094 -4.836 -4.529 1.00 0.00 O ATOM 122 CB VAL A 8 -1.317 -7.776 -4.689 1.00 0.00 C ATOM 123 CG1 VAL A 8 0.046 -8.115 -5.265 1.00 0.00 C ATOM 124 CG2 VAL A 8 -2.116 -9.043 -4.428 1.00 0.00 C ATOM 0 H VAL A 8 -3.178 -6.441 -3.442 1.00 0.00 H new ATOM 0 HA VAL A 8 -0.544 -7.495 -2.708 1.00 0.00 H new ATOM 0 HB VAL A 8 -1.855 -7.175 -5.422 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -0.079 -8.705 -6.173 1.00 0.00 H new ATOM 0 HG12 VAL A 8 0.580 -7.195 -5.501 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.617 -8.689 -4.535 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -2.199 -9.617 -5.351 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -1.610 -9.643 -3.672 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -3.112 -8.778 -4.074 1.00 0.00 H new ATOM 134 N LEU A 9 0.484 -5.275 -3.035 1.00 0.00 N ATOM 135 CA LEU A 9 1.181 -4.046 -3.226 1.00 0.00 C ATOM 136 C LEU A 9 2.247 -4.282 -4.278 1.00 0.00 C ATOM 137 O LEU A 9 3.200 -5.027 -4.039 1.00 0.00 O ATOM 138 CB LEU A 9 1.819 -3.605 -1.896 1.00 0.00 C ATOM 139 CG LEU A 9 2.462 -2.214 -1.856 1.00 0.00 C ATOM 140 CD1 LEU A 9 1.407 -1.130 -2.022 1.00 0.00 C ATOM 141 CD2 LEU A 9 3.226 -2.017 -0.556 1.00 0.00 C ATOM 0 H LEU A 9 0.893 -5.877 -2.320 1.00 0.00 H new ATOM 0 HA LEU A 9 0.503 -3.258 -3.554 1.00 0.00 H new ATOM 0 HB2 LEU A 9 1.051 -3.645 -1.123 1.00 0.00 H new ATOM 0 HB3 LEU A 9 2.580 -4.337 -1.627 1.00 0.00 H new ATOM 0 HG LEU A 9 3.165 -2.139 -2.685 1.00 0.00 H new ATOM 0 HD11 LEU A 9 1.884 -0.150 -1.991 1.00 0.00 H new ATOM 0 HD12 LEU A 9 0.902 -1.257 -2.980 1.00 0.00 H new ATOM 0 HD13 LEU A 9 0.678 -1.205 -1.215 1.00 0.00 H new ATOM 0 HD21 LEU A 9 3.676 -1.024 -0.545 1.00 0.00 H new ATOM 0 HD22 LEU A 9 2.542 -2.115 0.287 1.00 0.00 H new ATOM 0 HD23 LEU A 9 4.009 -2.771 -0.476 1.00 0.00 H new ATOM 153 N ASP A 10 2.037 -3.734 -5.453 1.00 0.00 N ATOM 154 CA ASP A 10 2.992 -3.882 -6.553 1.00 0.00 C ATOM 155 C ASP A 10 4.215 -3.039 -6.249 1.00 0.00 C ATOM 156 O ASP A 10 4.166 -1.809 -6.336 1.00 0.00 O ATOM 157 CB ASP A 10 2.373 -3.437 -7.885 1.00 0.00 C ATOM 158 CG ASP A 10 3.198 -3.856 -9.088 1.00 0.00 C ATOM 159 OD1 ASP A 10 4.265 -3.275 -9.340 1.00 0.00 O ATOM 160 OD2 ASP A 10 2.774 -4.782 -9.808 1.00 0.00 O ATOM 0 H ASP A 10 1.213 -3.178 -5.682 1.00 0.00 H new ATOM 0 HA ASP A 10 3.268 -4.932 -6.646 1.00 0.00 H new ATOM 0 HB2 ASP A 10 1.371 -3.858 -7.973 1.00 0.00 H new ATOM 0 HB3 ASP A 10 2.264 -2.352 -7.885 1.00 0.00 H new ATOM 165 N LEU A 11 5.295 -3.688 -5.877 1.00 0.00 N ATOM 166 CA LEU A 11 6.494 -2.991 -5.450 1.00 0.00 C ATOM 167 C LEU A 11 7.247 -2.409 -6.630 1.00 0.00 C ATOM 168 O LEU A 11 7.943 -1.395 -6.494 1.00 0.00 O ATOM 169 CB LEU A 11 7.396 -3.905 -4.618 1.00 0.00 C ATOM 170 CG LEU A 11 6.795 -4.445 -3.310 1.00 0.00 C ATOM 171 CD1 LEU A 11 7.779 -5.366 -2.613 1.00 0.00 C ATOM 172 CD2 LEU A 11 6.393 -3.306 -2.384 1.00 0.00 C ATOM 0 H LEU A 11 5.371 -4.705 -5.861 1.00 0.00 H new ATOM 0 HA LEU A 11 6.183 -2.160 -4.817 1.00 0.00 H new ATOM 0 HB2 LEU A 11 7.688 -4.754 -5.237 1.00 0.00 H new ATOM 0 HB3 LEU A 11 8.308 -3.359 -4.376 1.00 0.00 H new ATOM 0 HG LEU A 11 5.900 -5.014 -3.561 1.00 0.00 H new ATOM 0 HD11 LEU A 11 7.337 -5.739 -1.689 1.00 0.00 H new ATOM 0 HD12 LEU A 11 8.017 -6.206 -3.266 1.00 0.00 H new ATOM 0 HD13 LEU A 11 8.691 -4.816 -2.382 1.00 0.00 H new ATOM 0 HD21 LEU A 11 5.971 -3.715 -1.466 1.00 0.00 H new ATOM 0 HD22 LEU A 11 7.270 -2.706 -2.144 1.00 0.00 H new ATOM 0 HD23 LEU A 11 5.650 -2.681 -2.878 1.00 0.00 H new ATOM 184 N GLU A 12 7.069 -3.013 -7.788 1.00 0.00 N ATOM 185 CA GLU A 12 7.714 -2.541 -8.995 1.00 0.00 C ATOM 186 C GLU A 12 7.147 -1.187 -9.389 1.00 0.00 C ATOM 187 O GLU A 12 7.899 -0.239 -9.685 1.00 0.00 O ATOM 188 CB GLU A 12 7.543 -3.533 -10.129 1.00 0.00 C ATOM 189 CG GLU A 12 8.131 -4.896 -9.848 1.00 0.00 C ATOM 190 CD GLU A 12 8.032 -5.792 -11.038 1.00 0.00 C ATOM 191 OE1 GLU A 12 8.868 -5.674 -11.947 1.00 0.00 O ATOM 192 OE2 GLU A 12 7.103 -6.608 -11.118 1.00 0.00 O ATOM 0 H GLU A 12 6.480 -3.836 -7.918 1.00 0.00 H new ATOM 0 HA GLU A 12 8.781 -2.439 -8.796 1.00 0.00 H new ATOM 0 HB2 GLU A 12 6.480 -3.644 -10.343 1.00 0.00 H new ATOM 0 HB3 GLU A 12 8.008 -3.126 -11.027 1.00 0.00 H new ATOM 0 HG2 GLU A 12 9.176 -4.789 -9.558 1.00 0.00 H new ATOM 0 HG3 GLU A 12 7.611 -5.351 -9.005 1.00 0.00 H new ATOM 199 N ARG A 13 5.830 -1.088 -9.367 1.00 0.00 N ATOM 200 CA ARG A 13 5.147 0.153 -9.661 1.00 0.00 C ATOM 201 C ARG A 13 5.370 1.154 -8.532 1.00 0.00 C ATOM 202 O ARG A 13 5.487 2.355 -8.771 1.00 0.00 O ATOM 203 CB ARG A 13 3.635 -0.082 -9.881 1.00 0.00 C ATOM 204 CG ARG A 13 2.832 1.189 -10.158 1.00 0.00 C ATOM 205 CD ARG A 13 3.316 1.890 -11.411 1.00 0.00 C ATOM 206 NE ARG A 13 2.673 3.193 -11.608 1.00 0.00 N ATOM 207 CZ ARG A 13 3.095 4.112 -12.475 1.00 0.00 C ATOM 208 NH1 ARG A 13 4.114 3.849 -13.273 1.00 0.00 N ATOM 209 NH2 ARG A 13 2.489 5.286 -12.548 1.00 0.00 N ATOM 0 H ARG A 13 5.208 -1.865 -9.145 1.00 0.00 H new ATOM 0 HA ARG A 13 5.561 0.560 -10.583 1.00 0.00 H new ATOM 0 HB2 ARG A 13 3.504 -0.769 -10.717 1.00 0.00 H new ATOM 0 HB3 ARG A 13 3.224 -0.572 -8.998 1.00 0.00 H new ATOM 0 HG2 ARG A 13 1.777 0.938 -10.265 1.00 0.00 H new ATOM 0 HG3 ARG A 13 2.914 1.865 -9.307 1.00 0.00 H new ATOM 0 HD2 ARG A 13 4.396 2.026 -11.353 1.00 0.00 H new ATOM 0 HD3 ARG A 13 3.120 1.257 -12.277 1.00 0.00 H new ATOM 0 HE ARG A 13 1.850 3.409 -11.045 1.00 0.00 H new ATOM 0 HH11 ARG A 13 4.578 2.942 -13.226 1.00 0.00 H new ATOM 0 HH12 ARG A 13 4.437 4.553 -13.937 1.00 0.00 H new ATOM 0 HH21 ARG A 13 1.696 5.489 -11.939 1.00 0.00 H new ATOM 0 HH22 ARG A 13 2.815 5.988 -13.213 1.00 0.00 H new ATOM 223 N LEU A 14 5.467 0.641 -7.313 1.00 0.00 N ATOM 224 CA LEU A 14 5.651 1.462 -6.115 1.00 0.00 C ATOM 225 C LEU A 14 6.978 2.238 -6.217 1.00 0.00 C ATOM 226 O LEU A 14 7.063 3.401 -5.841 1.00 0.00 O ATOM 227 CB LEU A 14 5.634 0.553 -4.866 1.00 0.00 C ATOM 228 CG LEU A 14 5.105 1.145 -3.541 1.00 0.00 C ATOM 229 CD1 LEU A 14 5.949 2.293 -3.040 1.00 0.00 C ATOM 230 CD2 LEU A 14 3.660 1.576 -3.706 1.00 0.00 C ATOM 0 H LEU A 14 5.421 -0.360 -7.122 1.00 0.00 H new ATOM 0 HA LEU A 14 4.840 2.185 -6.030 1.00 0.00 H new ATOM 0 HB2 LEU A 14 5.034 -0.326 -5.102 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.653 0.206 -4.693 1.00 0.00 H new ATOM 0 HG LEU A 14 5.166 0.360 -2.787 1.00 0.00 H new ATOM 0 HD11 LEU A 14 5.532 2.671 -2.107 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.968 1.947 -2.868 1.00 0.00 H new ATOM 0 HD13 LEU A 14 5.957 3.090 -3.783 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.295 1.992 -2.767 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.593 2.332 -4.488 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.052 0.714 -3.981 1.00 0.00 H new ATOM 242 N ALA A 15 7.983 1.599 -6.791 1.00 0.00 N ATOM 243 CA ALA A 15 9.291 2.217 -6.987 1.00 0.00 C ATOM 244 C ALA A 15 9.243 3.348 -8.038 1.00 0.00 C ATOM 245 O ALA A 15 10.207 4.086 -8.210 1.00 0.00 O ATOM 246 CB ALA A 15 10.313 1.163 -7.389 1.00 0.00 C ATOM 0 H ALA A 15 7.920 0.641 -7.134 1.00 0.00 H new ATOM 0 HA ALA A 15 9.590 2.666 -6.040 1.00 0.00 H new ATOM 0 HB1 ALA A 15 11.285 1.635 -7.533 1.00 0.00 H new ATOM 0 HB2 ALA A 15 10.387 0.410 -6.604 1.00 0.00 H new ATOM 0 HB3 ALA A 15 9.999 0.688 -8.319 1.00 0.00 H new ATOM 252 N THR A 16 8.128 3.467 -8.733 1.00 0.00 N ATOM 253 CA THR A 16 7.944 4.499 -9.732 1.00 0.00 C ATOM 254 C THR A 16 7.023 5.613 -9.162 1.00 0.00 C ATOM 255 O THR A 16 6.744 6.634 -9.812 1.00 0.00 O ATOM 256 CB THR A 16 7.334 3.863 -11.003 1.00 0.00 C ATOM 257 OG1 THR A 16 8.094 2.681 -11.302 1.00 0.00 O ATOM 258 CG2 THR A 16 7.418 4.804 -12.203 1.00 0.00 C ATOM 0 H THR A 16 7.324 2.850 -8.620 1.00 0.00 H new ATOM 0 HA THR A 16 8.901 4.952 -9.993 1.00 0.00 H new ATOM 0 HB THR A 16 6.283 3.643 -10.818 1.00 0.00 H new ATOM 0 HG1 THR A 16 7.730 2.252 -12.104 1.00 0.00 H new ATOM 0 HG21 THR A 16 6.979 4.321 -13.076 1.00 0.00 H new ATOM 0 HG22 THR A 16 6.873 5.722 -11.984 1.00 0.00 H new ATOM 0 HG23 THR A 16 8.462 5.042 -12.407 1.00 0.00 H new ATOM 266 N VAL A 17 6.584 5.417 -7.936 1.00 0.00 N ATOM 267 CA VAL A 17 5.735 6.371 -7.263 1.00 0.00 C ATOM 268 C VAL A 17 6.629 7.370 -6.538 1.00 0.00 C ATOM 269 O VAL A 17 7.668 6.972 -5.989 1.00 0.00 O ATOM 270 CB VAL A 17 4.782 5.658 -6.245 1.00 0.00 C ATOM 271 CG1 VAL A 17 3.927 6.654 -5.470 1.00 0.00 C ATOM 272 CG2 VAL A 17 3.888 4.664 -6.966 1.00 0.00 C ATOM 0 H VAL A 17 6.807 4.591 -7.380 1.00 0.00 H new ATOM 0 HA VAL A 17 5.108 6.881 -7.994 1.00 0.00 H new ATOM 0 HB VAL A 17 5.411 5.130 -5.528 1.00 0.00 H new ATOM 0 HG11 VAL A 17 3.281 6.116 -4.776 1.00 0.00 H new ATOM 0 HG12 VAL A 17 4.573 7.332 -4.913 1.00 0.00 H new ATOM 0 HG13 VAL A 17 3.314 7.226 -6.166 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.231 4.176 -6.246 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.286 5.188 -7.709 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.504 3.914 -7.462 1.00 0.00 H new ATOM 282 N PRO A 18 6.306 8.689 -6.615 1.00 0.00 N ATOM 283 CA PRO A 18 7.043 9.735 -5.905 1.00 0.00 C ATOM 284 C PRO A 18 7.316 9.368 -4.446 1.00 0.00 C ATOM 285 O PRO A 18 6.378 9.096 -3.662 1.00 0.00 O ATOM 286 CB PRO A 18 6.109 10.936 -5.983 1.00 0.00 C ATOM 287 CG PRO A 18 5.385 10.750 -7.266 1.00 0.00 C ATOM 288 CD PRO A 18 5.219 9.264 -7.446 1.00 0.00 C ATOM 0 HA PRO A 18 8.026 9.909 -6.343 1.00 0.00 H new ATOM 0 HB2 PRO A 18 5.421 10.962 -5.138 1.00 0.00 H new ATOM 0 HB3 PRO A 18 6.664 11.874 -5.971 1.00 0.00 H new ATOM 0 HG2 PRO A 18 4.416 11.249 -7.242 1.00 0.00 H new ATOM 0 HG3 PRO A 18 5.946 11.182 -8.095 1.00 0.00 H new ATOM 0 HD2 PRO A 18 4.238 8.927 -7.112 1.00 0.00 H new ATOM 0 HD3 PRO A 18 5.317 8.973 -8.492 1.00 0.00 H new ATOM 296 N ALA A 19 8.593 9.395 -4.080 1.00 0.00 N ATOM 297 CA ALA A 19 9.067 9.024 -2.747 1.00 0.00 C ATOM 298 C ALA A 19 8.470 9.922 -1.668 1.00 0.00 C ATOM 299 O ALA A 19 8.443 9.564 -0.497 1.00 0.00 O ATOM 300 CB ALA A 19 10.588 9.057 -2.698 1.00 0.00 C ATOM 0 H ALA A 19 9.342 9.680 -4.711 1.00 0.00 H new ATOM 0 HA ALA A 19 8.733 8.006 -2.545 1.00 0.00 H new ATOM 0 HB1 ALA A 19 10.926 8.779 -1.700 1.00 0.00 H new ATOM 0 HB2 ALA A 19 10.991 8.354 -3.427 1.00 0.00 H new ATOM 0 HB3 ALA A 19 10.938 10.062 -2.932 1.00 0.00 H new ATOM 306 N GLU A 20 7.960 11.075 -2.088 1.00 0.00 N ATOM 307 CA GLU A 20 7.294 12.011 -1.195 1.00 0.00 C ATOM 308 C GLU A 20 6.078 11.364 -0.520 1.00 0.00 C ATOM 309 O GLU A 20 5.685 11.768 0.567 1.00 0.00 O ATOM 310 CB GLU A 20 6.846 13.248 -1.953 1.00 0.00 C ATOM 311 CG GLU A 20 7.963 13.981 -2.655 1.00 0.00 C ATOM 312 CD GLU A 20 7.479 15.234 -3.319 1.00 0.00 C ATOM 313 OE1 GLU A 20 6.871 15.148 -4.406 1.00 0.00 O ATOM 314 OE2 GLU A 20 7.687 16.325 -2.761 1.00 0.00 O ATOM 0 H GLU A 20 7.998 11.385 -3.059 1.00 0.00 H new ATOM 0 HA GLU A 20 8.013 12.297 -0.427 1.00 0.00 H new ATOM 0 HB2 GLU A 20 6.097 12.958 -2.690 1.00 0.00 H new ATOM 0 HB3 GLU A 20 6.359 13.931 -1.257 1.00 0.00 H new ATOM 0 HG2 GLU A 20 8.743 14.230 -1.935 1.00 0.00 H new ATOM 0 HG3 GLU A 20 8.415 13.326 -3.400 1.00 0.00 H new ATOM 321 N LYS A 21 5.482 10.377 -1.179 1.00 0.00 N ATOM 322 CA LYS A 21 4.353 9.651 -0.605 1.00 0.00 C ATOM 323 C LYS A 21 4.706 8.177 -0.406 1.00 0.00 C ATOM 324 O LYS A 21 4.234 7.531 0.524 1.00 0.00 O ATOM 325 CB LYS A 21 3.095 9.771 -1.487 1.00 0.00 C ATOM 326 CG LYS A 21 2.593 11.194 -1.678 1.00 0.00 C ATOM 327 CD LYS A 21 1.283 11.231 -2.459 1.00 0.00 C ATOM 328 CE LYS A 21 0.797 12.663 -2.687 1.00 0.00 C ATOM 329 NZ LYS A 21 0.590 13.406 -1.420 1.00 0.00 N ATOM 0 H LYS A 21 5.760 10.061 -2.108 1.00 0.00 H new ATOM 0 HA LYS A 21 4.135 10.102 0.363 1.00 0.00 H new ATOM 0 HB2 LYS A 21 3.310 9.340 -2.465 1.00 0.00 H new ATOM 0 HB3 LYS A 21 2.298 9.174 -1.044 1.00 0.00 H new ATOM 0 HG2 LYS A 21 2.449 11.663 -0.705 1.00 0.00 H new ATOM 0 HG3 LYS A 21 3.347 11.778 -2.205 1.00 0.00 H new ATOM 0 HD2 LYS A 21 1.419 10.736 -3.421 1.00 0.00 H new ATOM 0 HD3 LYS A 21 0.521 10.671 -1.917 1.00 0.00 H new ATOM 0 HE2 LYS A 21 1.523 13.195 -3.301 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -0.138 12.640 -3.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 0.119 14.311 -1.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -0.004 12.842 -0.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 1.510 13.587 -0.969 1.00 0.00 H new ATOM 343 N ALA A 22 5.563 7.663 -1.277 1.00 0.00 N ATOM 344 CA ALA A 22 5.938 6.251 -1.264 1.00 0.00 C ATOM 345 C ALA A 22 6.989 5.921 -0.199 1.00 0.00 C ATOM 346 O ALA A 22 7.150 4.760 0.163 1.00 0.00 O ATOM 347 CB ALA A 22 6.445 5.842 -2.634 1.00 0.00 C ATOM 0 H ALA A 22 6.017 8.208 -2.010 1.00 0.00 H new ATOM 0 HA ALA A 22 5.042 5.686 -1.009 1.00 0.00 H new ATOM 0 HB1 ALA A 22 6.723 4.788 -2.619 1.00 0.00 H new ATOM 0 HB2 ALA A 22 5.661 6.000 -3.374 1.00 0.00 H new ATOM 0 HB3 ALA A 22 7.316 6.444 -2.894 1.00 0.00 H new ATOM 353 N GLY A 23 7.662 6.946 0.306 1.00 0.00 N ATOM 354 CA GLY A 23 8.759 6.788 1.274 1.00 0.00 C ATOM 355 C GLY A 23 8.454 5.868 2.463 1.00 0.00 C ATOM 356 O GLY A 23 9.058 4.789 2.575 1.00 0.00 O ATOM 0 H GLY A 23 7.468 7.917 0.060 1.00 0.00 H new ATOM 0 HA2 GLY A 23 9.632 6.400 0.749 1.00 0.00 H new ATOM 0 HA3 GLY A 23 9.029 7.772 1.657 1.00 0.00 H new ATOM 360 N PRO A 24 7.500 6.234 3.360 1.00 0.00 N ATOM 361 CA PRO A 24 7.187 5.424 4.538 1.00 0.00 C ATOM 362 C PRO A 24 6.527 4.102 4.155 1.00 0.00 C ATOM 363 O PRO A 24 6.575 3.128 4.909 1.00 0.00 O ATOM 364 CB PRO A 24 6.224 6.296 5.360 1.00 0.00 C ATOM 365 CG PRO A 24 6.287 7.654 4.739 1.00 0.00 C ATOM 366 CD PRO A 24 6.667 7.442 3.304 1.00 0.00 C ATOM 0 HA PRO A 24 8.086 5.153 5.092 1.00 0.00 H new ATOM 0 HB2 PRO A 24 5.210 5.897 5.329 1.00 0.00 H new ATOM 0 HB3 PRO A 24 6.522 6.329 6.408 1.00 0.00 H new ATOM 0 HG2 PRO A 24 5.326 8.162 4.816 1.00 0.00 H new ATOM 0 HG3 PRO A 24 7.020 8.281 5.247 1.00 0.00 H new ATOM 0 HD2 PRO A 24 5.791 7.300 2.671 1.00 0.00 H new ATOM 0 HD3 PRO A 24 7.216 8.293 2.902 1.00 0.00 H new ATOM 374 N LEU A 25 5.966 4.063 2.964 1.00 0.00 N ATOM 375 CA LEU A 25 5.320 2.878 2.457 1.00 0.00 C ATOM 376 C LEU A 25 6.363 1.831 2.124 1.00 0.00 C ATOM 377 O LEU A 25 6.219 0.661 2.494 1.00 0.00 O ATOM 378 CB LEU A 25 4.461 3.222 1.238 1.00 0.00 C ATOM 379 CG LEU A 25 3.684 2.078 0.579 1.00 0.00 C ATOM 380 CD1 LEU A 25 2.895 1.290 1.613 1.00 0.00 C ATOM 381 CD2 LEU A 25 2.733 2.650 -0.448 1.00 0.00 C ATOM 0 H LEU A 25 5.947 4.855 2.322 1.00 0.00 H new ATOM 0 HA LEU A 25 4.659 2.469 3.221 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.745 3.988 1.536 1.00 0.00 H new ATOM 0 HB3 LEU A 25 5.109 3.667 0.484 1.00 0.00 H new ATOM 0 HG LEU A 25 4.395 1.404 0.101 1.00 0.00 H new ATOM 0 HD11 LEU A 25 2.352 0.484 1.120 1.00 0.00 H new ATOM 0 HD12 LEU A 25 3.579 0.869 2.350 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.187 1.952 2.112 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.177 1.840 -0.920 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.036 3.331 0.041 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.299 3.192 -1.206 1.00 0.00 H new ATOM 393 N GLN A 26 7.429 2.263 1.463 1.00 0.00 N ATOM 394 CA GLN A 26 8.538 1.386 1.135 1.00 0.00 C ATOM 395 C GLN A 26 9.221 0.922 2.411 1.00 0.00 C ATOM 396 O GLN A 26 9.611 -0.231 2.529 1.00 0.00 O ATOM 397 CB GLN A 26 9.542 2.084 0.217 1.00 0.00 C ATOM 398 CG GLN A 26 8.976 2.466 -1.135 1.00 0.00 C ATOM 399 CD GLN A 26 9.990 3.147 -2.029 1.00 0.00 C ATOM 400 OE1 GLN A 26 10.131 4.370 -2.020 1.00 0.00 O ATOM 401 NE2 GLN A 26 10.702 2.370 -2.806 1.00 0.00 N ATOM 0 H GLN A 26 7.546 3.224 1.143 1.00 0.00 H new ATOM 0 HA GLN A 26 8.146 0.520 0.602 1.00 0.00 H new ATOM 0 HB2 GLN A 26 9.909 2.982 0.713 1.00 0.00 H new ATOM 0 HB3 GLN A 26 10.400 1.429 0.069 1.00 0.00 H new ATOM 0 HG2 GLN A 26 8.604 1.571 -1.633 1.00 0.00 H new ATOM 0 HG3 GLN A 26 8.123 3.129 -0.992 1.00 0.00 H new ATOM 0 HE21 GLN A 26 10.558 1.360 -2.787 1.00 0.00 H new ATOM 0 HE22 GLN A 26 11.400 2.774 -3.430 1.00 0.00 H new ATOM 410 N ARG A 27 9.321 1.831 3.376 1.00 0.00 N ATOM 411 CA ARG A 27 9.902 1.526 4.684 1.00 0.00 C ATOM 412 C ARG A 27 9.101 0.430 5.384 1.00 0.00 C ATOM 413 O ARG A 27 9.676 -0.530 5.903 1.00 0.00 O ATOM 414 CB ARG A 27 9.938 2.775 5.558 1.00 0.00 C ATOM 415 CG ARG A 27 10.835 3.917 5.050 1.00 0.00 C ATOM 416 CD ARG A 27 12.333 3.603 5.153 1.00 0.00 C ATOM 417 NE ARG A 27 12.758 2.465 4.324 1.00 0.00 N ATOM 418 CZ ARG A 27 13.636 1.528 4.705 1.00 0.00 C ATOM 419 NH1 ARG A 27 14.296 1.653 5.854 1.00 0.00 N ATOM 420 NH2 ARG A 27 13.886 0.503 3.907 1.00 0.00 N ATOM 0 H ARG A 27 9.004 2.795 3.277 1.00 0.00 H new ATOM 0 HA ARG A 27 10.922 1.174 4.528 1.00 0.00 H new ATOM 0 HB2 ARG A 27 8.921 3.154 5.661 1.00 0.00 H new ATOM 0 HB3 ARG A 27 10.274 2.489 6.555 1.00 0.00 H new ATOM 0 HG2 ARG A 27 10.586 4.130 4.010 1.00 0.00 H new ATOM 0 HG3 ARG A 27 10.620 4.820 5.621 1.00 0.00 H new ATOM 0 HD2 ARG A 27 12.901 4.486 4.860 1.00 0.00 H new ATOM 0 HD3 ARG A 27 12.581 3.395 6.194 1.00 0.00 H new ATOM 0 HE ARG A 27 12.355 2.383 3.391 1.00 0.00 H new ATOM 0 HH11 ARG A 27 14.134 2.465 6.449 1.00 0.00 H new ATOM 0 HH12 ARG A 27 14.963 0.936 6.139 1.00 0.00 H new ATOM 0 HH21 ARG A 27 13.411 0.430 3.007 1.00 0.00 H new ATOM 0 HH22 ARG A 27 14.554 -0.214 4.191 1.00 0.00 H new ATOM 434 N TYR A 28 7.782 0.589 5.390 1.00 0.00 N ATOM 435 CA TYR A 28 6.856 -0.392 5.941 1.00 0.00 C ATOM 436 C TYR A 28 7.073 -1.725 5.292 1.00 0.00 C ATOM 437 O TYR A 28 7.502 -2.692 5.926 1.00 0.00 O ATOM 438 CB TYR A 28 5.434 0.081 5.681 1.00 0.00 C ATOM 439 CG TYR A 28 4.404 -0.798 6.292 1.00 0.00 C ATOM 440 CD1 TYR A 28 4.058 -0.605 7.547 1.00 0.00 C ATOM 441 CD2 TYR A 28 3.800 -1.767 5.583 1.00 0.00 C ATOM 442 CE1 TYR A 28 3.077 -1.367 8.170 1.00 0.00 C ATOM 443 CE2 TYR A 28 2.818 -2.574 6.134 1.00 0.00 C ATOM 444 CZ TYR A 28 2.450 -2.365 7.442 1.00 0.00 C ATOM 445 OH TYR A 28 1.454 -3.135 8.021 1.00 0.00 O ATOM 0 H TYR A 28 7.320 1.414 5.007 1.00 0.00 H new ATOM 0 HA TYR A 28 7.025 -0.495 7.013 1.00 0.00 H new ATOM 0 HB2 TYR A 28 5.317 1.092 6.071 1.00 0.00 H new ATOM 0 HB3 TYR A 28 5.266 0.133 4.605 1.00 0.00 H new ATOM 0 HD1 TYR A 28 4.553 0.171 8.111 1.00 0.00 H new ATOM 0 HD2 TYR A 28 4.089 -1.921 4.554 1.00 0.00 H new ATOM 0 HE1 TYR A 28 2.809 -1.185 9.200 1.00 0.00 H new ATOM 0 HE2 TYR A 28 2.351 -3.352 5.548 1.00 0.00 H new ATOM 0 HH TYR A 28 1.411 -4.005 7.572 1.00 0.00 H new ATOM 455 N ALA A 29 6.795 -1.730 4.043 1.00 0.00 N ATOM 456 CA ALA A 29 6.941 -2.884 3.150 1.00 0.00 C ATOM 457 C ALA A 29 8.286 -3.610 3.314 1.00 0.00 C ATOM 458 O ALA A 29 8.320 -4.840 3.413 1.00 0.00 O ATOM 459 CB ALA A 29 6.745 -2.460 1.700 1.00 0.00 C ATOM 0 H ALA A 29 6.440 -0.903 3.563 1.00 0.00 H new ATOM 0 HA ALA A 29 6.165 -3.595 3.433 1.00 0.00 H new ATOM 0 HB1 ALA A 29 6.856 -3.327 1.049 1.00 0.00 H new ATOM 0 HB2 ALA A 29 5.747 -2.039 1.576 1.00 0.00 H new ATOM 0 HB3 ALA A 29 7.491 -1.710 1.436 1.00 0.00 H new ATOM 465 N ALA A 30 9.382 -2.864 3.364 1.00 0.00 N ATOM 466 CA ALA A 30 10.701 -3.471 3.501 1.00 0.00 C ATOM 467 C ALA A 30 10.872 -4.092 4.875 1.00 0.00 C ATOM 468 O ALA A 30 11.305 -5.245 4.990 1.00 0.00 O ATOM 469 CB ALA A 30 11.803 -2.460 3.231 1.00 0.00 C ATOM 0 H ALA A 30 9.385 -1.845 3.312 1.00 0.00 H new ATOM 0 HA ALA A 30 10.779 -4.262 2.755 1.00 0.00 H new ATOM 0 HB1 ALA A 30 12.774 -2.942 3.341 1.00 0.00 H new ATOM 0 HB2 ALA A 30 11.702 -2.074 2.217 1.00 0.00 H new ATOM 0 HB3 ALA A 30 11.724 -1.637 3.942 1.00 0.00 H new ATOM 475 N THR A 31 10.492 -3.353 5.908 1.00 0.00 N ATOM 476 CA THR A 31 10.623 -3.815 7.275 1.00 0.00 C ATOM 477 C THR A 31 9.767 -5.068 7.509 1.00 0.00 C ATOM 478 O THR A 31 10.249 -6.051 8.083 1.00 0.00 O ATOM 479 CB THR A 31 10.250 -2.698 8.276 1.00 0.00 C ATOM 480 OG1 THR A 31 11.023 -1.528 7.962 1.00 0.00 O ATOM 481 CG2 THR A 31 10.557 -3.120 9.711 1.00 0.00 C ATOM 0 H THR A 31 10.087 -2.421 5.819 1.00 0.00 H new ATOM 0 HA THR A 31 11.667 -4.080 7.443 1.00 0.00 H new ATOM 0 HB THR A 31 9.182 -2.497 8.196 1.00 0.00 H new ATOM 0 HG1 THR A 31 10.510 -0.949 7.360 1.00 0.00 H new ATOM 0 HG21 THR A 31 10.285 -2.315 10.393 1.00 0.00 H new ATOM 0 HG22 THR A 31 9.984 -4.014 9.958 1.00 0.00 H new ATOM 0 HG23 THR A 31 11.622 -3.333 9.808 1.00 0.00 H new ATOM 489 N ILE A 32 8.534 -5.053 6.997 1.00 0.00 N ATOM 490 CA ILE A 32 7.634 -6.196 7.118 1.00 0.00 C ATOM 491 C ILE A 32 8.257 -7.432 6.476 1.00 0.00 C ATOM 492 O ILE A 32 8.338 -8.483 7.108 1.00 0.00 O ATOM 493 CB ILE A 32 6.226 -5.909 6.499 1.00 0.00 C ATOM 494 CG1 ILE A 32 5.515 -4.764 7.249 1.00 0.00 C ATOM 495 CG2 ILE A 32 5.347 -7.166 6.476 1.00 0.00 C ATOM 496 CD1 ILE A 32 5.282 -5.016 8.733 1.00 0.00 C ATOM 0 H ILE A 32 8.138 -4.259 6.494 1.00 0.00 H new ATOM 0 HA ILE A 32 7.486 -6.381 8.182 1.00 0.00 H new ATOM 0 HB ILE A 32 6.386 -5.599 5.466 1.00 0.00 H new ATOM 0 HG12 ILE A 32 6.106 -3.855 7.138 1.00 0.00 H new ATOM 0 HG13 ILE A 32 4.553 -4.579 6.771 1.00 0.00 H new ATOM 0 HG21 ILE A 32 4.378 -6.924 6.039 1.00 0.00 H new ATOM 0 HG22 ILE A 32 5.832 -7.938 5.879 1.00 0.00 H new ATOM 0 HG23 ILE A 32 5.205 -7.530 7.494 1.00 0.00 H new ATOM 0 HD11 ILE A 32 4.777 -4.156 9.173 1.00 0.00 H new ATOM 0 HD12 ILE A 32 4.662 -5.904 8.858 1.00 0.00 H new ATOM 0 HD13 ILE A 32 6.240 -5.169 9.231 1.00 0.00 H new ATOM 508 N GLN A 33 8.763 -7.281 5.255 1.00 0.00 N ATOM 509 CA GLN A 33 9.400 -8.389 4.547 1.00 0.00 C ATOM 510 C GLN A 33 10.655 -8.868 5.264 1.00 0.00 C ATOM 511 O GLN A 33 10.957 -10.044 5.264 1.00 0.00 O ATOM 512 CB GLN A 33 9.712 -8.021 3.112 1.00 0.00 C ATOM 513 CG GLN A 33 8.483 -7.796 2.264 1.00 0.00 C ATOM 514 CD GLN A 33 8.817 -7.498 0.829 1.00 0.00 C ATOM 515 OE1 GLN A 33 8.886 -8.383 -0.013 1.00 0.00 O ATOM 516 NE2 GLN A 33 9.070 -6.266 0.546 1.00 0.00 N ATOM 0 H GLN A 33 8.745 -6.404 4.735 1.00 0.00 H new ATOM 0 HA GLN A 33 8.687 -9.213 4.538 1.00 0.00 H new ATOM 0 HB2 GLN A 33 10.321 -7.117 3.102 1.00 0.00 H new ATOM 0 HB3 GLN A 33 10.312 -8.814 2.665 1.00 0.00 H new ATOM 0 HG2 GLN A 33 7.848 -8.681 2.309 1.00 0.00 H new ATOM 0 HG3 GLN A 33 7.907 -6.969 2.678 1.00 0.00 H new ATOM 0 HE21 GLN A 33 9.003 -5.552 1.271 1.00 0.00 H new ATOM 0 HE22 GLN A 33 9.337 -6.005 -0.403 1.00 0.00 H new ATOM 525 N SER A 34 11.352 -7.956 5.910 1.00 0.00 N ATOM 526 CA SER A 34 12.545 -8.307 6.660 1.00 0.00 C ATOM 527 C SER A 34 12.162 -9.127 7.913 1.00 0.00 C ATOM 528 O SER A 34 12.835 -10.099 8.267 1.00 0.00 O ATOM 529 CB SER A 34 13.315 -7.042 7.050 1.00 0.00 C ATOM 530 OG SER A 34 13.593 -6.239 5.900 1.00 0.00 O ATOM 0 H SER A 34 11.114 -6.964 5.932 1.00 0.00 H new ATOM 0 HA SER A 34 13.192 -8.921 6.033 1.00 0.00 H new ATOM 0 HB2 SER A 34 12.734 -6.465 7.770 1.00 0.00 H new ATOM 0 HB3 SER A 34 14.249 -7.317 7.541 1.00 0.00 H new ATOM 0 HG SER A 34 12.751 -5.931 5.504 1.00 0.00 H new ATOM 536 N GLN A 35 11.063 -8.744 8.560 1.00 0.00 N ATOM 537 CA GLN A 35 10.576 -9.451 9.747 1.00 0.00 C ATOM 538 C GLN A 35 9.993 -10.800 9.343 1.00 0.00 C ATOM 539 O GLN A 35 10.121 -11.789 10.063 1.00 0.00 O ATOM 540 CB GLN A 35 9.520 -8.614 10.489 1.00 0.00 C ATOM 541 CG GLN A 35 10.023 -7.259 10.987 1.00 0.00 C ATOM 542 CD GLN A 35 11.144 -7.371 12.006 1.00 0.00 C ATOM 543 OE1 GLN A 35 10.900 -7.430 13.208 1.00 0.00 O ATOM 544 NE2 GLN A 35 12.362 -7.405 11.550 1.00 0.00 N ATOM 0 H GLN A 35 10.491 -7.947 8.283 1.00 0.00 H new ATOM 0 HA GLN A 35 11.416 -9.612 10.423 1.00 0.00 H new ATOM 0 HB2 GLN A 35 8.671 -8.451 9.825 1.00 0.00 H new ATOM 0 HB3 GLN A 35 9.153 -9.187 11.341 1.00 0.00 H new ATOM 0 HG2 GLN A 35 10.372 -6.674 10.136 1.00 0.00 H new ATOM 0 HG3 GLN A 35 9.192 -6.711 11.431 1.00 0.00 H new ATOM 0 HE21 GLN A 35 12.532 -7.354 10.546 1.00 0.00 H new ATOM 0 HE22 GLN A 35 13.147 -7.483 12.197 1.00 0.00 H new ATOM 553 N ARG A 36 9.365 -10.822 8.188 1.00 0.00 N ATOM 554 CA ARG A 36 8.789 -12.031 7.604 1.00 0.00 C ATOM 555 C ARG A 36 9.860 -12.965 7.076 1.00 0.00 C ATOM 556 O ARG A 36 9.664 -14.171 7.013 1.00 0.00 O ATOM 557 CB ARG A 36 7.881 -11.634 6.443 1.00 0.00 C ATOM 558 CG ARG A 36 6.454 -11.295 6.817 1.00 0.00 C ATOM 559 CD ARG A 36 5.638 -12.563 7.003 1.00 0.00 C ATOM 560 NE ARG A 36 5.592 -13.346 5.754 1.00 0.00 N ATOM 561 CZ ARG A 36 4.532 -13.981 5.272 1.00 0.00 C ATOM 562 NH1 ARG A 36 3.428 -14.096 5.996 1.00 0.00 N ATOM 563 NH2 ARG A 36 4.593 -14.522 4.062 1.00 0.00 N ATOM 0 H ARG A 36 9.234 -9.990 7.612 1.00 0.00 H new ATOM 0 HA ARG A 36 8.232 -12.550 8.384 1.00 0.00 H new ATOM 0 HB2 ARG A 36 8.320 -10.773 5.939 1.00 0.00 H new ATOM 0 HB3 ARG A 36 7.865 -12.451 5.722 1.00 0.00 H new ATOM 0 HG2 ARG A 36 6.442 -10.709 7.736 1.00 0.00 H new ATOM 0 HG3 ARG A 36 6.005 -10.677 6.039 1.00 0.00 H new ATOM 0 HD2 ARG A 36 6.073 -13.167 7.800 1.00 0.00 H new ATOM 0 HD3 ARG A 36 4.625 -12.306 7.314 1.00 0.00 H new ATOM 0 HE ARG A 36 6.454 -13.404 5.212 1.00 0.00 H new ATOM 0 HH11 ARG A 36 3.388 -13.694 6.933 1.00 0.00 H new ATOM 0 HH12 ARG A 36 2.618 -14.586 5.617 1.00 0.00 H new ATOM 0 HH21 ARG A 36 5.449 -14.447 3.512 1.00 0.00 H new ATOM 0 HH22 ARG A 36 3.784 -15.013 3.681 1.00 0.00 H new ATOM 577 N GLY A 37 10.978 -12.408 6.691 1.00 0.00 N ATOM 578 CA GLY A 37 12.050 -13.187 6.125 1.00 0.00 C ATOM 579 C GLY A 37 11.904 -13.288 4.617 1.00 0.00 C ATOM 580 O GLY A 37 12.882 -13.162 3.875 1.00 0.00 O ATOM 0 H GLY A 37 11.172 -11.409 6.760 1.00 0.00 H new ATOM 0 HA2 GLY A 37 13.008 -12.730 6.372 1.00 0.00 H new ATOM 0 HA3 GLY A 37 12.051 -14.185 6.563 1.00 0.00 H new ATOM 584 N ASP A 38 10.683 -13.490 4.168 1.00 0.00 N ATOM 585 CA ASP A 38 10.381 -13.623 2.759 1.00 0.00 C ATOM 586 C ASP A 38 10.169 -12.271 2.083 1.00 0.00 C ATOM 587 O ASP A 38 9.115 -11.633 2.196 1.00 0.00 O ATOM 588 CB ASP A 38 9.195 -14.594 2.499 1.00 0.00 C ATOM 589 CG ASP A 38 7.868 -14.184 3.122 1.00 0.00 C ATOM 590 OD1 ASP A 38 7.781 -14.090 4.356 1.00 0.00 O ATOM 591 OD2 ASP A 38 6.865 -13.992 2.376 1.00 0.00 O ATOM 0 H ASP A 38 9.867 -13.567 4.775 1.00 0.00 H new ATOM 0 HA ASP A 38 11.261 -14.071 2.297 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.057 -14.692 1.422 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.465 -15.580 2.877 1.00 0.00 H new ATOM 596 N TYR A 39 11.204 -11.815 1.431 1.00 0.00 N ATOM 597 CA TYR A 39 11.165 -10.620 0.655 1.00 0.00 C ATOM 598 C TYR A 39 10.850 -11.030 -0.767 1.00 0.00 C ATOM 599 O TYR A 39 11.682 -11.631 -1.443 1.00 0.00 O ATOM 600 CB TYR A 39 12.530 -9.901 0.736 1.00 0.00 C ATOM 601 CG TYR A 39 12.612 -8.547 0.051 1.00 0.00 C ATOM 602 CD1 TYR A 39 12.917 -8.437 -1.301 1.00 0.00 C ATOM 603 CD2 TYR A 39 12.392 -7.378 0.766 1.00 0.00 C ATOM 604 CE1 TYR A 39 12.994 -7.204 -1.916 1.00 0.00 C ATOM 605 CE2 TYR A 39 12.467 -6.142 0.157 1.00 0.00 C ATOM 606 CZ TYR A 39 12.768 -6.061 -1.183 1.00 0.00 C ATOM 607 OH TYR A 39 12.834 -4.831 -1.795 1.00 0.00 O ATOM 0 H TYR A 39 12.113 -12.278 1.429 1.00 0.00 H new ATOM 0 HA TYR A 39 10.409 -9.927 1.024 1.00 0.00 H new ATOM 0 HB2 TYR A 39 12.787 -9.770 1.787 1.00 0.00 H new ATOM 0 HB3 TYR A 39 13.288 -10.553 0.301 1.00 0.00 H new ATOM 0 HD1 TYR A 39 13.097 -9.331 -1.879 1.00 0.00 H new ATOM 0 HD2 TYR A 39 12.158 -7.437 1.819 1.00 0.00 H new ATOM 0 HE1 TYR A 39 13.230 -7.136 -2.968 1.00 0.00 H new ATOM 0 HE2 TYR A 39 12.290 -5.243 0.729 1.00 0.00 H new ATOM 0 HH TYR A 39 12.648 -4.128 -1.138 1.00 0.00 H new ATOM 617 N ASN A 40 9.646 -10.753 -1.196 1.00 0.00 N ATOM 618 CA ASN A 40 9.198 -11.111 -2.531 1.00 0.00 C ATOM 619 C ASN A 40 9.873 -10.196 -3.527 1.00 0.00 C ATOM 620 O ASN A 40 10.474 -10.650 -4.497 1.00 0.00 O ATOM 621 CB ASN A 40 7.657 -11.006 -2.627 1.00 0.00 C ATOM 622 CG ASN A 40 7.059 -11.385 -4.000 1.00 0.00 C ATOM 623 OD1 ASN A 40 7.667 -11.210 -5.053 1.00 0.00 O ATOM 624 ND2 ASN A 40 5.861 -11.896 -3.991 1.00 0.00 N ATOM 0 H ASN A 40 8.943 -10.273 -0.635 1.00 0.00 H new ATOM 0 HA ASN A 40 9.468 -12.143 -2.753 1.00 0.00 H new ATOM 0 HB2 ASN A 40 7.216 -11.650 -1.866 1.00 0.00 H new ATOM 0 HB3 ASN A 40 7.362 -9.984 -2.389 1.00 0.00 H new ATOM 0 HD21 ASN A 40 5.412 -12.158 -4.868 1.00 0.00 H new ATOM 0 HD22 ASN A 40 5.372 -12.034 -3.107 1.00 0.00 H new ATOM 631 N GLY A 41 9.775 -8.915 -3.287 1.00 0.00 N ATOM 632 CA GLY A 41 10.438 -7.958 -4.132 1.00 0.00 C ATOM 633 C GLY A 41 9.563 -7.452 -5.245 1.00 0.00 C ATOM 634 O GLY A 41 9.495 -6.252 -5.483 1.00 0.00 O ATOM 0 H GLY A 41 9.244 -8.511 -2.515 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.770 -7.115 -3.526 1.00 0.00 H new ATOM 0 HA3 GLY A 41 11.331 -8.415 -4.558 1.00 0.00 H new ATOM 638 N LYS A 42 8.892 -8.354 -5.913 1.00 0.00 N ATOM 639 CA LYS A 42 8.034 -7.998 -7.021 1.00 0.00 C ATOM 640 C LYS A 42 6.751 -7.354 -6.500 1.00 0.00 C ATOM 641 O LYS A 42 6.379 -6.238 -6.888 1.00 0.00 O ATOM 642 CB LYS A 42 7.710 -9.250 -7.840 1.00 0.00 C ATOM 643 CG LYS A 42 6.908 -8.970 -9.085 1.00 0.00 C ATOM 644 CD LYS A 42 6.570 -10.237 -9.838 1.00 0.00 C ATOM 645 CE LYS A 42 5.864 -9.916 -11.146 1.00 0.00 C ATOM 646 NZ LYS A 42 6.718 -9.104 -12.044 1.00 0.00 N ATOM 0 H LYS A 42 8.922 -9.353 -5.708 1.00 0.00 H new ATOM 0 HA LYS A 42 8.546 -7.280 -7.661 1.00 0.00 H new ATOM 0 HB2 LYS A 42 8.642 -9.740 -8.122 1.00 0.00 H new ATOM 0 HB3 LYS A 42 7.158 -9.950 -7.213 1.00 0.00 H new ATOM 0 HG2 LYS A 42 5.988 -8.453 -8.815 1.00 0.00 H new ATOM 0 HG3 LYS A 42 7.471 -8.301 -9.736 1.00 0.00 H new ATOM 0 HD2 LYS A 42 7.482 -10.799 -10.040 1.00 0.00 H new ATOM 0 HD3 LYS A 42 5.933 -10.872 -9.222 1.00 0.00 H new ATOM 0 HE2 LYS A 42 5.587 -10.843 -11.647 1.00 0.00 H new ATOM 0 HE3 LYS A 42 4.939 -9.378 -10.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 6.446 -9.278 -13.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 6.594 -8.095 -11.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 7.715 -9.368 -11.908 1.00 0.00 H new ATOM 660 N VAL A 43 6.097 -8.055 -5.611 1.00 0.00 N ATOM 661 CA VAL A 43 4.869 -7.603 -5.003 1.00 0.00 C ATOM 662 C VAL A 43 4.917 -7.934 -3.526 1.00 0.00 C ATOM 663 O VAL A 43 5.867 -8.552 -3.068 1.00 0.00 O ATOM 664 CB VAL A 43 3.600 -8.273 -5.635 1.00 0.00 C ATOM 665 CG1 VAL A 43 3.425 -7.889 -7.096 1.00 0.00 C ATOM 666 CG2 VAL A 43 3.643 -9.792 -5.498 1.00 0.00 C ATOM 0 H VAL A 43 6.406 -8.970 -5.283 1.00 0.00 H new ATOM 0 HA VAL A 43 4.787 -6.529 -5.172 1.00 0.00 H new ATOM 0 HB VAL A 43 2.741 -7.898 -5.079 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.535 -8.374 -7.496 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.316 -6.807 -7.177 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.299 -8.210 -7.664 1.00 0.00 H new ATOM 0 HG21 VAL A 43 2.748 -10.223 -5.947 1.00 0.00 H new ATOM 0 HG22 VAL A 43 4.526 -10.178 -6.007 1.00 0.00 H new ATOM 0 HG23 VAL A 43 3.685 -10.061 -4.443 1.00 0.00 H new ATOM 676 N LEU A 44 3.939 -7.499 -2.793 1.00 0.00 N ATOM 677 CA LEU A 44 3.813 -7.832 -1.396 1.00 0.00 C ATOM 678 C LEU A 44 2.343 -7.993 -1.080 1.00 0.00 C ATOM 679 O LEU A 44 1.555 -7.094 -1.353 1.00 0.00 O ATOM 680 CB LEU A 44 4.437 -6.733 -0.513 1.00 0.00 C ATOM 681 CG LEU A 44 4.341 -6.946 1.003 1.00 0.00 C ATOM 682 CD1 LEU A 44 5.041 -8.223 1.421 1.00 0.00 C ATOM 683 CD2 LEU A 44 4.914 -5.756 1.748 1.00 0.00 C ATOM 0 H LEU A 44 3.195 -6.896 -3.145 1.00 0.00 H new ATOM 0 HA LEU A 44 4.345 -8.760 -1.188 1.00 0.00 H new ATOM 0 HB2 LEU A 44 5.490 -6.636 -0.779 1.00 0.00 H new ATOM 0 HB3 LEU A 44 3.958 -5.785 -0.757 1.00 0.00 H new ATOM 0 HG LEU A 44 3.286 -7.040 1.261 1.00 0.00 H new ATOM 0 HD11 LEU A 44 4.957 -8.348 2.501 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.577 -9.073 0.920 1.00 0.00 H new ATOM 0 HD13 LEU A 44 6.094 -8.169 1.143 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.836 -5.927 2.822 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.962 -5.627 1.476 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.357 -4.858 1.482 1.00 0.00 H new ATOM 695 N SER A 45 1.964 -9.118 -0.548 1.00 0.00 N ATOM 696 CA SER A 45 0.588 -9.346 -0.246 1.00 0.00 C ATOM 697 C SER A 45 0.371 -9.136 1.252 1.00 0.00 C ATOM 698 O SER A 45 0.878 -9.895 2.089 1.00 0.00 O ATOM 699 CB SER A 45 0.159 -10.754 -0.703 1.00 0.00 C ATOM 700 OG SER A 45 -1.264 -10.923 -0.674 1.00 0.00 O ATOM 0 H SER A 45 2.590 -9.889 -0.316 1.00 0.00 H new ATOM 0 HA SER A 45 -0.037 -8.637 -0.789 1.00 0.00 H new ATOM 0 HB2 SER A 45 0.524 -10.933 -1.715 1.00 0.00 H new ATOM 0 HB3 SER A 45 0.625 -11.500 -0.060 1.00 0.00 H new ATOM 0 HG SER A 45 -1.492 -11.828 -0.973 1.00 0.00 H new ATOM 706 N ILE A 46 -0.344 -8.093 1.577 1.00 0.00 N ATOM 707 CA ILE A 46 -0.610 -7.724 2.951 1.00 0.00 C ATOM 708 C ILE A 46 -2.085 -7.955 3.257 1.00 0.00 C ATOM 709 O ILE A 46 -2.888 -8.110 2.328 1.00 0.00 O ATOM 710 CB ILE A 46 -0.230 -6.237 3.216 1.00 0.00 C ATOM 711 CG1 ILE A 46 -1.014 -5.290 2.281 1.00 0.00 C ATOM 712 CG2 ILE A 46 1.273 -6.034 3.069 1.00 0.00 C ATOM 713 CD1 ILE A 46 -0.743 -3.813 2.505 1.00 0.00 C ATOM 0 H ILE A 46 -0.765 -7.466 0.892 1.00 0.00 H new ATOM 0 HA ILE A 46 0.001 -8.345 3.606 1.00 0.00 H new ATOM 0 HB ILE A 46 -0.506 -5.992 4.242 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.771 -5.538 1.248 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -2.081 -5.474 2.411 1.00 0.00 H new ATOM 0 HG21 ILE A 46 1.519 -4.989 3.258 1.00 0.00 H new ATOM 0 HG22 ILE A 46 1.797 -6.666 3.786 1.00 0.00 H new ATOM 0 HG23 ILE A 46 1.579 -6.302 2.058 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -1.336 -3.224 1.805 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -1.014 -3.544 3.526 1.00 0.00 H new ATOM 0 HD13 ILE A 46 0.316 -3.609 2.345 1.00 0.00 H new ATOM 725 N ARG A 47 -2.454 -7.978 4.527 1.00 0.00 N ATOM 726 CA ARG A 47 -3.839 -8.229 4.899 1.00 0.00 C ATOM 727 C ARG A 47 -4.676 -6.971 4.706 1.00 0.00 C ATOM 728 O ARG A 47 -4.141 -5.885 4.442 1.00 0.00 O ATOM 729 CB ARG A 47 -3.959 -8.616 6.364 1.00 0.00 C ATOM 730 CG ARG A 47 -3.171 -9.815 6.825 1.00 0.00 C ATOM 731 CD ARG A 47 -3.588 -10.130 8.240 1.00 0.00 C ATOM 732 NE ARG A 47 -2.773 -11.149 8.898 1.00 0.00 N ATOM 733 CZ ARG A 47 -3.014 -11.604 10.139 1.00 0.00 C ATOM 734 NH1 ARG A 47 -4.171 -11.322 10.744 1.00 0.00 N ATOM 735 NH2 ARG A 47 -2.129 -12.374 10.751 1.00 0.00 N ATOM 0 H ARG A 47 -1.821 -7.828 5.313 1.00 0.00 H new ATOM 0 HA ARG A 47 -4.192 -9.041 4.264 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -3.655 -7.760 6.966 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -5.011 -8.800 6.580 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -3.359 -10.668 6.173 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -2.102 -9.609 6.780 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -3.548 -9.214 8.830 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -4.627 -10.461 8.234 1.00 0.00 H new ATOM 0 HE ARG A 47 -1.979 -11.535 8.388 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -4.874 -10.760 10.264 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -4.352 -11.669 11.686 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -1.259 -12.625 10.281 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -2.316 -12.717 11.693 1.00 0.00 H new ATOM 749 N GLN A 48 -5.980 -7.101 4.900 1.00 0.00 N ATOM 750 CA GLN A 48 -6.887 -5.956 4.867 1.00 0.00 C ATOM 751 C GLN A 48 -6.575 -5.095 6.086 1.00 0.00 C ATOM 752 O GLN A 48 -6.672 -3.867 6.067 1.00 0.00 O ATOM 753 CB GLN A 48 -8.374 -6.399 4.897 1.00 0.00 C ATOM 754 CG GLN A 48 -8.857 -7.229 3.693 1.00 0.00 C ATOM 755 CD GLN A 48 -8.234 -8.614 3.581 1.00 0.00 C ATOM 756 OE1 GLN A 48 -7.895 -9.248 4.579 1.00 0.00 O ATOM 757 NE2 GLN A 48 -8.055 -9.078 2.378 1.00 0.00 N ATOM 0 H GLN A 48 -6.439 -7.993 5.083 1.00 0.00 H new ATOM 0 HA GLN A 48 -6.741 -5.401 3.941 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -8.541 -6.980 5.804 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -8.996 -5.507 4.971 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -9.940 -7.337 3.755 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -8.644 -6.675 2.779 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -8.347 -8.528 1.570 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -7.623 -9.992 2.243 1.00 0.00 H new ATOM 766 N ASP A 49 -6.159 -5.779 7.130 1.00 0.00 N ATOM 767 CA ASP A 49 -5.713 -5.176 8.373 1.00 0.00 C ATOM 768 C ASP A 49 -4.440 -4.344 8.148 1.00 0.00 C ATOM 769 O ASP A 49 -4.275 -3.259 8.717 1.00 0.00 O ATOM 770 CB ASP A 49 -5.467 -6.287 9.388 1.00 0.00 C ATOM 771 CG ASP A 49 -4.897 -5.802 10.684 1.00 0.00 C ATOM 772 OD1 ASP A 49 -5.630 -5.161 11.468 1.00 0.00 O ATOM 773 OD2 ASP A 49 -3.721 -6.094 10.965 1.00 0.00 O ATOM 0 H ASP A 49 -6.120 -6.798 7.140 1.00 0.00 H new ATOM 0 HA ASP A 49 -6.479 -4.499 8.751 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -6.407 -6.802 9.585 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -4.787 -7.020 8.954 1.00 0.00 H new ATOM 778 N ASP A 50 -3.563 -4.832 7.285 1.00 0.00 N ATOM 779 CA ASP A 50 -2.333 -4.108 6.946 1.00 0.00 C ATOM 780 C ASP A 50 -2.662 -2.876 6.149 1.00 0.00 C ATOM 781 O ASP A 50 -2.074 -1.834 6.353 1.00 0.00 O ATOM 782 CB ASP A 50 -1.351 -4.960 6.154 1.00 0.00 C ATOM 783 CG ASP A 50 -0.671 -6.036 6.955 1.00 0.00 C ATOM 784 OD1 ASP A 50 0.369 -5.757 7.592 1.00 0.00 O ATOM 785 OD2 ASP A 50 -1.154 -7.189 6.950 1.00 0.00 O ATOM 0 H ASP A 50 -3.673 -5.724 6.804 1.00 0.00 H new ATOM 0 HA ASP A 50 -1.858 -3.839 7.889 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -1.881 -5.424 5.322 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -0.590 -4.309 5.724 1.00 0.00 H new ATOM 790 N LEU A 51 -3.637 -3.004 5.259 1.00 0.00 N ATOM 791 CA LEU A 51 -4.119 -1.885 4.440 1.00 0.00 C ATOM 792 C LEU A 51 -4.555 -0.729 5.343 1.00 0.00 C ATOM 793 O LEU A 51 -4.239 0.437 5.095 1.00 0.00 O ATOM 794 CB LEU A 51 -5.311 -2.347 3.610 1.00 0.00 C ATOM 795 CG LEU A 51 -5.926 -1.322 2.658 1.00 0.00 C ATOM 796 CD1 LEU A 51 -4.978 -0.995 1.512 1.00 0.00 C ATOM 797 CD2 LEU A 51 -7.265 -1.817 2.143 1.00 0.00 C ATOM 0 H LEU A 51 -4.120 -3.884 5.080 1.00 0.00 H new ATOM 0 HA LEU A 51 -3.316 -1.548 3.784 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -5.002 -3.212 3.024 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -6.090 -2.686 4.293 1.00 0.00 H new ATOM 0 HG LEU A 51 -6.094 -0.398 3.212 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -5.444 -0.263 0.852 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -4.051 -0.584 1.912 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -4.760 -1.903 0.950 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -7.691 -1.076 1.466 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -7.125 -2.757 1.610 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -7.942 -1.973 2.982 1.00 0.00 H new ATOM 809 N ARG A 52 -5.259 -1.078 6.406 1.00 0.00 N ATOM 810 CA ARG A 52 -5.716 -0.110 7.386 1.00 0.00 C ATOM 811 C ARG A 52 -4.534 0.509 8.121 1.00 0.00 C ATOM 812 O ARG A 52 -4.540 1.695 8.421 1.00 0.00 O ATOM 813 CB ARG A 52 -6.684 -0.766 8.358 1.00 0.00 C ATOM 814 CG ARG A 52 -7.996 -1.172 7.713 1.00 0.00 C ATOM 815 CD ARG A 52 -8.844 -2.007 8.648 1.00 0.00 C ATOM 816 NE ARG A 52 -9.158 -1.329 9.913 1.00 0.00 N ATOM 817 CZ ARG A 52 -9.693 -1.952 10.979 1.00 0.00 C ATOM 818 NH1 ARG A 52 -10.008 -3.253 10.903 1.00 0.00 N ATOM 819 NH2 ARG A 52 -9.913 -1.280 12.109 1.00 0.00 N ATOM 0 H ARG A 52 -5.529 -2.039 6.613 1.00 0.00 H new ATOM 0 HA ARG A 52 -6.242 0.692 6.869 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -6.212 -1.648 8.792 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -6.888 -0.078 9.178 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -8.549 -0.280 7.419 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -7.795 -1.736 6.802 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -9.774 -2.271 8.145 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -8.323 -2.940 8.864 1.00 0.00 H new ATOM 0 HE ARG A 52 -8.960 -0.331 9.987 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -9.842 -3.768 10.039 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -10.414 -3.727 11.710 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -9.676 -0.290 12.168 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -10.319 -1.756 12.915 1.00 0.00 H new ATOM 833 N THR A 53 -3.511 -0.293 8.344 1.00 0.00 N ATOM 834 CA THR A 53 -2.291 0.142 8.997 1.00 0.00 C ATOM 835 C THR A 53 -1.595 1.248 8.170 1.00 0.00 C ATOM 836 O THR A 53 -1.133 2.248 8.730 1.00 0.00 O ATOM 837 CB THR A 53 -1.349 -1.065 9.203 1.00 0.00 C ATOM 838 OG1 THR A 53 -2.028 -2.069 9.990 1.00 0.00 O ATOM 839 CG2 THR A 53 -0.049 -0.659 9.893 1.00 0.00 C ATOM 0 H THR A 53 -3.503 -1.277 8.074 1.00 0.00 H new ATOM 0 HA THR A 53 -2.541 0.561 9.972 1.00 0.00 H new ATOM 0 HB THR A 53 -1.090 -1.465 8.223 1.00 0.00 H new ATOM 0 HG1 THR A 53 -2.767 -2.448 9.470 1.00 0.00 H new ATOM 0 HG21 THR A 53 0.585 -1.536 10.019 1.00 0.00 H new ATOM 0 HG22 THR A 53 0.471 0.080 9.284 1.00 0.00 H new ATOM 0 HG23 THR A 53 -0.274 -0.231 10.870 1.00 0.00 H new ATOM 847 N LEU A 54 -1.573 1.078 6.839 1.00 0.00 N ATOM 848 CA LEU A 54 -1.008 2.081 5.917 1.00 0.00 C ATOM 849 C LEU A 54 -1.665 3.435 6.132 1.00 0.00 C ATOM 850 O LEU A 54 -0.990 4.460 6.253 1.00 0.00 O ATOM 851 CB LEU A 54 -1.188 1.657 4.442 1.00 0.00 C ATOM 852 CG LEU A 54 -0.122 0.739 3.806 1.00 0.00 C ATOM 853 CD1 LEU A 54 0.098 -0.535 4.595 1.00 0.00 C ATOM 854 CD2 LEU A 54 -0.523 0.405 2.378 1.00 0.00 C ATOM 0 H LEU A 54 -1.942 0.250 6.373 1.00 0.00 H new ATOM 0 HA LEU A 54 0.058 2.154 6.132 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.152 1.155 4.356 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.246 2.564 3.841 1.00 0.00 H new ATOM 0 HG LEU A 54 0.822 1.283 3.813 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.857 -1.142 4.102 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.430 -0.286 5.603 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.835 -1.095 4.649 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.231 -0.243 1.931 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.486 -0.106 2.381 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.602 1.324 1.798 1.00 0.00 H new ATOM 866 N ALA A 55 -2.980 3.417 6.238 1.00 0.00 N ATOM 867 CA ALA A 55 -3.765 4.624 6.434 1.00 0.00 C ATOM 868 C ALA A 55 -3.411 5.310 7.752 1.00 0.00 C ATOM 869 O ALA A 55 -3.394 6.525 7.831 1.00 0.00 O ATOM 870 CB ALA A 55 -5.248 4.296 6.385 1.00 0.00 C ATOM 0 H ALA A 55 -3.537 2.564 6.191 1.00 0.00 H new ATOM 0 HA ALA A 55 -3.528 5.317 5.627 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -5.827 5.207 6.533 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -5.493 3.864 5.415 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -5.489 3.581 7.172 1.00 0.00 H new ATOM 876 N VAL A 56 -3.081 4.526 8.753 1.00 0.00 N ATOM 877 CA VAL A 56 -2.751 5.050 10.073 1.00 0.00 C ATOM 878 C VAL A 56 -1.393 5.771 10.038 1.00 0.00 C ATOM 879 O VAL A 56 -1.212 6.808 10.689 1.00 0.00 O ATOM 880 CB VAL A 56 -2.732 3.917 11.152 1.00 0.00 C ATOM 881 CG1 VAL A 56 -2.410 4.469 12.533 1.00 0.00 C ATOM 882 CG2 VAL A 56 -4.065 3.185 11.187 1.00 0.00 C ATOM 0 H VAL A 56 -3.032 3.510 8.683 1.00 0.00 H new ATOM 0 HA VAL A 56 -3.527 5.763 10.350 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.947 3.214 10.872 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -2.405 3.655 13.258 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -1.430 4.945 12.515 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -3.164 5.203 12.816 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -4.030 2.401 11.944 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -4.861 3.889 11.430 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -4.261 2.739 10.212 1.00 0.00 H new ATOM 892 N ILE A 57 -0.471 5.251 9.220 1.00 0.00 N ATOM 893 CA ILE A 57 0.885 5.810 9.101 1.00 0.00 C ATOM 894 C ILE A 57 0.829 7.252 8.601 1.00 0.00 C ATOM 895 O ILE A 57 1.492 8.138 9.140 1.00 0.00 O ATOM 896 CB ILE A 57 1.774 5.006 8.096 1.00 0.00 C ATOM 897 CG1 ILE A 57 1.770 3.512 8.422 1.00 0.00 C ATOM 898 CG2 ILE A 57 3.213 5.543 8.105 1.00 0.00 C ATOM 899 CD1 ILE A 57 2.564 2.664 7.447 1.00 0.00 C ATOM 0 H ILE A 57 -0.639 4.439 8.626 1.00 0.00 H new ATOM 0 HA ILE A 57 1.322 5.754 10.098 1.00 0.00 H new ATOM 0 HB ILE A 57 1.351 5.137 7.100 1.00 0.00 H new ATOM 0 HG12 ILE A 57 2.174 3.369 9.424 1.00 0.00 H new ATOM 0 HG13 ILE A 57 0.739 3.158 8.440 1.00 0.00 H new ATOM 0 HG21 ILE A 57 3.819 4.973 7.400 1.00 0.00 H new ATOM 0 HG22 ILE A 57 3.211 6.594 7.815 1.00 0.00 H new ATOM 0 HG23 ILE A 57 3.632 5.444 9.106 1.00 0.00 H new ATOM 0 HD11 ILE A 57 2.511 1.618 7.748 1.00 0.00 H new ATOM 0 HD12 ILE A 57 2.148 2.775 6.446 1.00 0.00 H new ATOM 0 HD13 ILE A 57 3.604 2.989 7.446 1.00 0.00 H new ATOM 911 N TYR A 58 0.004 7.484 7.600 1.00 0.00 N ATOM 912 CA TYR A 58 -0.043 8.798 6.942 1.00 0.00 C ATOM 913 C TYR A 58 -1.163 9.636 7.525 1.00 0.00 C ATOM 914 O TYR A 58 -1.337 10.803 7.162 1.00 0.00 O ATOM 915 CB TYR A 58 -0.307 8.627 5.436 1.00 0.00 C ATOM 916 CG TYR A 58 0.414 7.476 4.793 1.00 0.00 C ATOM 917 CD1 TYR A 58 1.777 7.282 4.957 1.00 0.00 C ATOM 918 CD2 TYR A 58 -0.293 6.550 4.047 1.00 0.00 C ATOM 919 CE1 TYR A 58 2.404 6.200 4.392 1.00 0.00 C ATOM 920 CE2 TYR A 58 0.329 5.466 3.488 1.00 0.00 C ATOM 921 CZ TYR A 58 1.672 5.297 3.664 1.00 0.00 C ATOM 922 OH TYR A 58 2.282 4.215 3.122 1.00 0.00 O ATOM 0 H TYR A 58 -0.643 6.794 7.218 1.00 0.00 H new ATOM 0 HA TYR A 58 0.916 9.291 7.102 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -1.378 8.497 5.282 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -0.021 9.547 4.925 1.00 0.00 H new ATOM 0 HD1 TYR A 58 2.351 7.990 5.536 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -1.355 6.685 3.903 1.00 0.00 H new ATOM 0 HE1 TYR A 58 3.467 6.060 4.520 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -0.239 4.750 2.912 1.00 0.00 H new ATOM 0 HH TYR A 58 2.259 3.472 3.761 1.00 0.00 H new ATOM 932 N ASP A 59 -1.900 9.024 8.430 1.00 0.00 N ATOM 933 CA ASP A 59 -3.123 9.574 9.012 1.00 0.00 C ATOM 934 C ASP A 59 -4.108 9.923 7.911 1.00 0.00 C ATOM 935 O ASP A 59 -4.382 11.087 7.599 1.00 0.00 O ATOM 936 CB ASP A 59 -2.895 10.744 9.982 1.00 0.00 C ATOM 937 CG ASP A 59 -4.183 11.147 10.674 1.00 0.00 C ATOM 938 OD1 ASP A 59 -4.700 10.347 11.498 1.00 0.00 O ATOM 939 OD2 ASP A 59 -4.716 12.229 10.401 1.00 0.00 O ATOM 0 H ASP A 59 -1.663 8.102 8.796 1.00 0.00 H new ATOM 0 HA ASP A 59 -3.551 8.791 9.639 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -2.152 10.461 10.728 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -2.490 11.597 9.437 1.00 0.00 H new ATOM 944 N GLN A 60 -4.530 8.897 7.247 1.00 0.00 N ATOM 945 CA GLN A 60 -5.448 8.977 6.153 1.00 0.00 C ATOM 946 C GLN A 60 -6.613 8.087 6.451 1.00 0.00 C ATOM 947 O GLN A 60 -6.499 7.156 7.254 1.00 0.00 O ATOM 948 CB GLN A 60 -4.775 8.509 4.849 1.00 0.00 C ATOM 949 CG GLN A 60 -3.634 9.392 4.375 1.00 0.00 C ATOM 950 CD GLN A 60 -4.085 10.769 3.941 1.00 0.00 C ATOM 951 OE1 GLN A 60 -4.401 10.998 2.766 1.00 0.00 O ATOM 952 NE2 GLN A 60 -4.137 11.688 4.865 1.00 0.00 N ATOM 0 H GLN A 60 -4.235 7.944 7.458 1.00 0.00 H new ATOM 0 HA GLN A 60 -5.773 10.010 6.026 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -4.398 7.497 4.993 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -5.529 8.459 4.064 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -2.904 9.493 5.178 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -3.127 8.904 3.542 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -3.869 11.464 5.823 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -4.446 12.631 4.629 1.00 0.00 H new ATOM 961 N SER A 61 -7.708 8.358 5.847 1.00 0.00 N ATOM 962 CA SER A 61 -8.847 7.532 6.000 1.00 0.00 C ATOM 963 C SER A 61 -8.746 6.418 4.950 1.00 0.00 C ATOM 964 O SER A 61 -8.444 6.706 3.785 1.00 0.00 O ATOM 965 CB SER A 61 -10.100 8.381 5.835 1.00 0.00 C ATOM 966 OG SER A 61 -10.063 9.470 6.762 1.00 0.00 O ATOM 0 H SER A 61 -7.842 9.160 5.231 1.00 0.00 H new ATOM 0 HA SER A 61 -8.899 7.076 6.989 1.00 0.00 H new ATOM 0 HB2 SER A 61 -10.164 8.760 4.815 1.00 0.00 H new ATOM 0 HB3 SER A 61 -10.989 7.774 6.006 1.00 0.00 H new ATOM 0 HG SER A 61 -10.868 10.018 6.655 1.00 0.00 H new ATOM 972 N PRO A 62 -8.942 5.133 5.358 1.00 0.00 N ATOM 973 CA PRO A 62 -8.802 3.951 4.471 1.00 0.00 C ATOM 974 C PRO A 62 -9.489 4.094 3.111 1.00 0.00 C ATOM 975 O PRO A 62 -8.992 3.573 2.117 1.00 0.00 O ATOM 976 CB PRO A 62 -9.434 2.830 5.281 1.00 0.00 C ATOM 977 CG PRO A 62 -9.158 3.213 6.685 1.00 0.00 C ATOM 978 CD PRO A 62 -9.292 4.717 6.734 1.00 0.00 C ATOM 0 HA PRO A 62 -7.757 3.785 4.208 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -10.504 2.752 5.090 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -8.995 1.863 5.036 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -9.862 2.735 7.366 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -8.159 2.899 6.987 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -10.303 5.023 7.002 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -8.620 5.157 7.471 1.00 0.00 H new ATOM 986 N SER A 63 -10.610 4.807 3.081 1.00 0.00 N ATOM 987 CA SER A 63 -11.329 5.071 1.851 1.00 0.00 C ATOM 988 C SER A 63 -10.425 5.790 0.835 1.00 0.00 C ATOM 989 O SER A 63 -10.282 5.348 -0.276 1.00 0.00 O ATOM 990 CB SER A 63 -12.556 5.916 2.157 1.00 0.00 C ATOM 991 OG SER A 63 -13.366 5.288 3.144 1.00 0.00 O ATOM 0 H SER A 63 -11.041 5.215 3.910 1.00 0.00 H new ATOM 0 HA SER A 63 -11.641 4.123 1.412 1.00 0.00 H new ATOM 0 HB2 SER A 63 -12.247 6.901 2.506 1.00 0.00 H new ATOM 0 HB3 SER A 63 -13.136 6.068 1.246 1.00 0.00 H new ATOM 0 HG SER A 63 -14.149 5.847 3.329 1.00 0.00 H new ATOM 997 N VAL A 64 -9.769 6.856 1.268 1.00 0.00 N ATOM 998 CA VAL A 64 -8.909 7.645 0.387 1.00 0.00 C ATOM 999 C VAL A 64 -7.608 6.888 0.125 1.00 0.00 C ATOM 1000 O VAL A 64 -7.008 6.995 -0.949 1.00 0.00 O ATOM 1001 CB VAL A 64 -8.584 9.036 1.014 1.00 0.00 C ATOM 1002 CG1 VAL A 64 -7.739 9.901 0.079 1.00 0.00 C ATOM 1003 CG2 VAL A 64 -9.861 9.769 1.399 1.00 0.00 C ATOM 0 H VAL A 64 -9.814 7.199 2.228 1.00 0.00 H new ATOM 0 HA VAL A 64 -9.440 7.806 -0.551 1.00 0.00 H new ATOM 0 HB VAL A 64 -7.998 8.851 1.915 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -7.536 10.860 0.555 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -6.797 9.395 -0.133 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -8.280 10.066 -0.853 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -9.608 10.736 1.834 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -10.476 9.920 0.512 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -10.415 9.177 2.128 1.00 0.00 H new ATOM 1013 N LEU A 65 -7.218 6.087 1.100 1.00 0.00 N ATOM 1014 CA LEU A 65 -5.985 5.319 1.052 1.00 0.00 C ATOM 1015 C LEU A 65 -5.985 4.362 -0.149 1.00 0.00 C ATOM 1016 O LEU A 65 -4.987 4.288 -0.889 1.00 0.00 O ATOM 1017 CB LEU A 65 -5.775 4.579 2.411 1.00 0.00 C ATOM 1018 CG LEU A 65 -4.411 3.881 2.695 1.00 0.00 C ATOM 1019 CD1 LEU A 65 -4.222 2.602 1.897 1.00 0.00 C ATOM 1020 CD2 LEU A 65 -3.255 4.837 2.448 1.00 0.00 C ATOM 0 H LEU A 65 -7.754 5.949 1.957 1.00 0.00 H new ATOM 0 HA LEU A 65 -5.140 5.992 0.908 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -5.945 5.303 3.208 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -6.555 3.822 2.496 1.00 0.00 H new ATOM 0 HG LEU A 65 -4.422 3.597 3.747 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -3.254 2.162 2.138 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -5.014 1.896 2.148 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -4.262 2.829 0.832 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.313 4.329 2.652 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -3.271 5.167 1.409 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -3.351 5.701 3.105 1.00 0.00 H new ATOM 1032 N THR A 66 -7.096 3.665 -0.376 1.00 0.00 N ATOM 1033 CA THR A 66 -7.185 2.775 -1.463 1.00 0.00 C ATOM 1034 C THR A 66 -7.158 3.528 -2.773 1.00 0.00 C ATOM 1035 O THR A 66 -6.441 3.140 -3.700 1.00 0.00 O ATOM 1036 CB THR A 66 -8.456 1.940 -1.358 1.00 0.00 C ATOM 1037 OG1 THR A 66 -9.582 2.770 -1.029 1.00 0.00 O ATOM 1038 CG2 THR A 66 -8.303 0.825 -0.347 1.00 0.00 C ATOM 0 H THR A 66 -7.936 3.721 0.199 1.00 0.00 H new ATOM 0 HA THR A 66 -6.323 2.108 -1.434 1.00 0.00 H new ATOM 0 HB THR A 66 -8.634 1.484 -2.332 1.00 0.00 H new ATOM 0 HG1 THR A 66 -9.941 3.173 -1.847 1.00 0.00 H new ATOM 0 HG21 THR A 66 -9.227 0.250 -0.297 1.00 0.00 H new ATOM 0 HG22 THR A 66 -7.484 0.171 -0.647 1.00 0.00 H new ATOM 0 HG23 THR A 66 -8.087 1.250 0.633 1.00 0.00 H new ATOM 1046 N GLU A 67 -7.882 4.646 -2.811 1.00 0.00 N ATOM 1047 CA GLU A 67 -8.014 5.451 -4.012 1.00 0.00 C ATOM 1048 C GLU A 67 -6.648 5.924 -4.468 1.00 0.00 C ATOM 1049 O GLU A 67 -6.347 5.892 -5.653 1.00 0.00 O ATOM 1050 CB GLU A 67 -8.912 6.659 -3.772 1.00 0.00 C ATOM 1051 CG GLU A 67 -10.204 6.368 -3.047 1.00 0.00 C ATOM 1052 CD GLU A 67 -11.019 5.256 -3.638 1.00 0.00 C ATOM 1053 OE1 GLU A 67 -10.836 4.077 -3.248 1.00 0.00 O ATOM 1054 OE2 GLU A 67 -11.892 5.535 -4.476 1.00 0.00 O ATOM 0 H GLU A 67 -8.391 5.014 -2.007 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.469 4.830 -4.784 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.352 7.399 -3.200 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -9.149 7.112 -4.735 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -9.975 6.121 -2.010 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -10.809 7.275 -3.032 1.00 0.00 H new ATOM 1061 N GLN A 68 -5.822 6.337 -3.513 1.00 0.00 N ATOM 1062 CA GLN A 68 -4.455 6.757 -3.774 1.00 0.00 C ATOM 1063 C GLN A 68 -3.681 5.663 -4.492 1.00 0.00 C ATOM 1064 O GLN A 68 -3.197 5.863 -5.601 1.00 0.00 O ATOM 1065 CB GLN A 68 -3.768 7.116 -2.459 1.00 0.00 C ATOM 1066 CG GLN A 68 -4.201 8.447 -1.870 1.00 0.00 C ATOM 1067 CD GLN A 68 -3.645 9.623 -2.650 1.00 0.00 C ATOM 1068 OE1 GLN A 68 -2.559 10.116 -2.341 1.00 0.00 O ATOM 1069 NE2 GLN A 68 -4.362 10.091 -3.635 1.00 0.00 N ATOM 0 H GLN A 68 -6.087 6.389 -2.529 1.00 0.00 H new ATOM 0 HA GLN A 68 -4.476 7.635 -4.420 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -3.967 6.329 -1.732 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -2.690 7.137 -2.620 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -5.290 8.501 -1.859 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -3.869 8.510 -0.834 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -5.257 9.659 -3.864 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -4.027 10.889 -4.175 1.00 0.00 H new ATOM 1078 N LEU A 69 -3.654 4.492 -3.895 1.00 0.00 N ATOM 1079 CA LEU A 69 -2.907 3.361 -4.428 1.00 0.00 C ATOM 1080 C LEU A 69 -3.420 2.940 -5.811 1.00 0.00 C ATOM 1081 O LEU A 69 -2.632 2.545 -6.689 1.00 0.00 O ATOM 1082 CB LEU A 69 -2.954 2.193 -3.452 1.00 0.00 C ATOM 1083 CG LEU A 69 -2.373 2.457 -2.060 1.00 0.00 C ATOM 1084 CD1 LEU A 69 -2.538 1.260 -1.190 1.00 0.00 C ATOM 1085 CD2 LEU A 69 -0.914 2.793 -2.143 1.00 0.00 C ATOM 0 H LEU A 69 -4.148 4.291 -3.025 1.00 0.00 H new ATOM 0 HA LEU A 69 -1.870 3.674 -4.552 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.993 1.883 -3.337 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.418 1.354 -3.895 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.915 3.301 -1.633 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -2.119 1.466 -0.205 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -3.598 1.025 -1.092 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -2.018 0.412 -1.635 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.525 2.976 -1.141 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.374 1.961 -2.595 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.781 3.686 -2.753 1.00 0.00 H new ATOM 1097 N ILE A 70 -4.722 3.031 -6.009 1.00 0.00 N ATOM 1098 CA ILE A 70 -5.330 2.719 -7.298 1.00 0.00 C ATOM 1099 C ILE A 70 -4.908 3.764 -8.333 1.00 0.00 C ATOM 1100 O ILE A 70 -4.505 3.428 -9.444 1.00 0.00 O ATOM 1101 CB ILE A 70 -6.874 2.689 -7.200 1.00 0.00 C ATOM 1102 CG1 ILE A 70 -7.311 1.650 -6.179 1.00 0.00 C ATOM 1103 CG2 ILE A 70 -7.497 2.368 -8.564 1.00 0.00 C ATOM 1104 CD1 ILE A 70 -8.772 1.718 -5.849 1.00 0.00 C ATOM 0 H ILE A 70 -5.386 3.320 -5.291 1.00 0.00 H new ATOM 0 HA ILE A 70 -4.986 1.731 -7.603 1.00 0.00 H new ATOM 0 HB ILE A 70 -7.217 3.674 -6.883 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -7.078 0.656 -6.561 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -6.733 1.784 -5.265 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -8.583 2.352 -8.473 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -7.205 3.130 -9.286 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -7.147 1.393 -8.904 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -9.015 0.950 -5.115 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -9.007 2.700 -5.438 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -9.357 1.554 -6.754 1.00 0.00 H new ATOM 1116 N SER A 71 -4.935 5.020 -7.928 1.00 0.00 N ATOM 1117 CA SER A 71 -4.606 6.134 -8.800 1.00 0.00 C ATOM 1118 C SER A 71 -3.130 6.128 -9.219 1.00 0.00 C ATOM 1119 O SER A 71 -2.783 6.638 -10.293 1.00 0.00 O ATOM 1120 CB SER A 71 -4.964 7.455 -8.123 1.00 0.00 C ATOM 1121 OG SER A 71 -6.340 7.471 -7.741 1.00 0.00 O ATOM 0 H SER A 71 -5.187 5.298 -6.980 1.00 0.00 H new ATOM 0 HA SER A 71 -5.197 6.023 -9.709 1.00 0.00 H new ATOM 0 HB2 SER A 71 -4.336 7.601 -7.244 1.00 0.00 H new ATOM 0 HB3 SER A 71 -4.760 8.284 -8.801 1.00 0.00 H new ATOM 0 HG SER A 71 -6.516 6.733 -7.120 1.00 0.00 H new ATOM 1127 N TRP A 72 -2.264 5.567 -8.376 1.00 0.00 N ATOM 1128 CA TRP A 72 -0.836 5.471 -8.705 1.00 0.00 C ATOM 1129 C TRP A 72 -0.602 4.284 -9.637 1.00 0.00 C ATOM 1130 O TRP A 72 0.452 4.156 -10.272 1.00 0.00 O ATOM 1131 CB TRP A 72 0.018 5.272 -7.449 1.00 0.00 C ATOM 1132 CG TRP A 72 -0.143 6.300 -6.365 1.00 0.00 C ATOM 1133 CD1 TRP A 72 -0.636 7.577 -6.467 1.00 0.00 C ATOM 1134 CD2 TRP A 72 0.237 6.128 -5.003 1.00 0.00 C ATOM 1135 NE1 TRP A 72 -0.615 8.185 -5.232 1.00 0.00 N ATOM 1136 CE2 TRP A 72 -0.073 7.316 -4.319 1.00 0.00 C ATOM 1137 CE3 TRP A 72 0.802 5.073 -4.294 1.00 0.00 C ATOM 1138 CZ2 TRP A 72 0.170 7.471 -2.955 1.00 0.00 C ATOM 1139 CZ3 TRP A 72 1.049 5.236 -2.948 1.00 0.00 C ATOM 1140 CH2 TRP A 72 0.731 6.422 -2.292 1.00 0.00 C ATOM 0 H TRP A 72 -2.519 5.175 -7.469 1.00 0.00 H new ATOM 0 HA TRP A 72 -0.546 6.405 -9.186 1.00 0.00 H new ATOM 0 HB2 TRP A 72 -0.214 4.293 -7.029 1.00 0.00 H new ATOM 0 HB3 TRP A 72 1.066 5.251 -7.748 1.00 0.00 H new ATOM 0 HD1 TRP A 72 -0.988 8.036 -7.379 1.00 0.00 H new ATOM 0 HE1 TRP A 72 -0.948 9.127 -5.029 1.00 0.00 H new ATOM 0 HE3 TRP A 72 1.043 4.144 -4.789 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 -0.078 8.389 -2.443 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 1.498 4.427 -2.391 1.00 0.00 H new ATOM 0 HH2 TRP A 72 0.933 6.512 -1.235 1.00 0.00 H new ATOM 1151 N GLY A 73 -1.582 3.409 -9.687 1.00 0.00 N ATOM 1152 CA GLY A 73 -1.514 2.244 -10.536 1.00 0.00 C ATOM 1153 C GLY A 73 -0.902 1.070 -9.823 1.00 0.00 C ATOM 1154 O GLY A 73 -0.364 0.158 -10.447 1.00 0.00 O ATOM 0 H GLY A 73 -2.442 3.485 -9.144 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -2.516 1.982 -10.875 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -0.928 2.476 -11.425 1.00 0.00 H new ATOM 1158 N VAL A 74 -0.979 1.094 -8.515 1.00 0.00 N ATOM 1159 CA VAL A 74 -0.394 0.057 -7.697 1.00 0.00 C ATOM 1160 C VAL A 74 -1.451 -0.951 -7.274 1.00 0.00 C ATOM 1161 O VAL A 74 -1.261 -2.162 -7.392 1.00 0.00 O ATOM 1162 CB VAL A 74 0.271 0.659 -6.426 1.00 0.00 C ATOM 1163 CG1 VAL A 74 0.894 -0.428 -5.569 1.00 0.00 C ATOM 1164 CG2 VAL A 74 1.318 1.695 -6.799 1.00 0.00 C ATOM 0 H VAL A 74 -1.448 1.830 -7.987 1.00 0.00 H new ATOM 0 HA VAL A 74 0.367 -0.443 -8.296 1.00 0.00 H new ATOM 0 HB VAL A 74 -0.511 1.149 -5.846 1.00 0.00 H new ATOM 0 HG11 VAL A 74 1.352 0.021 -4.688 1.00 0.00 H new ATOM 0 HG12 VAL A 74 0.123 -1.133 -5.258 1.00 0.00 H new ATOM 0 HG13 VAL A 74 1.656 -0.954 -6.145 1.00 0.00 H new ATOM 0 HG21 VAL A 74 1.768 2.100 -5.893 1.00 0.00 H new ATOM 0 HG22 VAL A 74 2.091 1.228 -7.410 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.848 2.501 -7.363 1.00 0.00 H new ATOM 1174 N LEU A 75 -2.563 -0.450 -6.807 1.00 0.00 N ATOM 1175 CA LEU A 75 -3.612 -1.292 -6.284 1.00 0.00 C ATOM 1176 C LEU A 75 -4.798 -1.280 -7.237 1.00 0.00 C ATOM 1177 O LEU A 75 -4.937 -0.358 -8.050 1.00 0.00 O ATOM 1178 CB LEU A 75 -4.018 -0.778 -4.896 1.00 0.00 C ATOM 1179 CG LEU A 75 -4.991 -1.628 -4.083 1.00 0.00 C ATOM 1180 CD1 LEU A 75 -4.376 -2.986 -3.748 1.00 0.00 C ATOM 1181 CD2 LEU A 75 -5.392 -0.891 -2.815 1.00 0.00 C ATOM 0 H LEU A 75 -2.770 0.548 -6.777 1.00 0.00 H new ATOM 0 HA LEU A 75 -3.260 -2.319 -6.190 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -3.110 -0.651 -4.306 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -4.459 0.211 -5.020 1.00 0.00 H new ATOM 0 HG LEU A 75 -5.884 -1.804 -4.682 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -5.087 -3.574 -3.168 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -4.135 -3.514 -4.671 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -3.466 -2.840 -3.166 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -6.086 -1.505 -2.241 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -4.505 -0.690 -2.215 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -5.873 0.051 -3.078 1.00 0.00 H new ATOM 1193 N ASP A 76 -5.636 -2.287 -7.143 1.00 0.00 N ATOM 1194 CA ASP A 76 -6.802 -2.410 -8.005 1.00 0.00 C ATOM 1195 C ASP A 76 -8.041 -1.956 -7.241 1.00 0.00 C ATOM 1196 O ASP A 76 -8.059 -1.995 -6.002 1.00 0.00 O ATOM 1197 CB ASP A 76 -6.973 -3.871 -8.456 1.00 0.00 C ATOM 1198 CG ASP A 76 -8.017 -4.047 -9.546 1.00 0.00 C ATOM 1199 OD1 ASP A 76 -9.217 -4.107 -9.249 1.00 0.00 O ATOM 1200 OD2 ASP A 76 -7.639 -4.109 -10.735 1.00 0.00 O ATOM 0 H ASP A 76 -5.534 -3.046 -6.469 1.00 0.00 H new ATOM 0 HA ASP A 76 -6.667 -1.784 -8.887 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -6.015 -4.247 -8.816 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -7.251 -4.479 -7.595 1.00 0.00 H new ATOM 1205 N ALA A 77 -9.069 -1.544 -7.965 1.00 0.00 N ATOM 1206 CA ALA A 77 -10.329 -1.082 -7.383 1.00 0.00 C ATOM 1207 C ALA A 77 -11.054 -2.202 -6.615 1.00 0.00 C ATOM 1208 O ALA A 77 -11.894 -1.940 -5.762 1.00 0.00 O ATOM 1209 CB ALA A 77 -11.231 -0.501 -8.462 1.00 0.00 C ATOM 0 H ALA A 77 -9.057 -1.519 -8.985 1.00 0.00 H new ATOM 0 HA ALA A 77 -10.090 -0.299 -6.663 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -12.164 -0.162 -8.012 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -10.731 0.342 -8.939 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -11.445 -1.266 -9.208 1.00 0.00 H new ATOM 1215 N ASP A 78 -10.703 -3.430 -6.918 1.00 0.00 N ATOM 1216 CA ASP A 78 -11.254 -4.632 -6.242 1.00 0.00 C ATOM 1217 C ASP A 78 -11.013 -4.560 -4.735 1.00 0.00 C ATOM 1218 O ASP A 78 -11.854 -4.948 -3.932 1.00 0.00 O ATOM 1219 CB ASP A 78 -10.577 -5.891 -6.793 1.00 0.00 C ATOM 1220 CG ASP A 78 -11.175 -7.187 -6.269 1.00 0.00 C ATOM 1221 OD1 ASP A 78 -12.143 -7.691 -6.891 1.00 0.00 O ATOM 1222 OD2 ASP A 78 -10.666 -7.756 -5.284 1.00 0.00 O ATOM 0 H ASP A 78 -10.022 -3.649 -7.645 1.00 0.00 H new ATOM 0 HA ASP A 78 -12.327 -4.670 -6.432 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -10.646 -5.883 -7.881 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -9.517 -5.862 -6.541 1.00 0.00 H new ATOM 1227 N ALA A 79 -9.883 -3.983 -4.376 1.00 0.00 N ATOM 1228 CA ALA A 79 -9.439 -3.863 -2.997 1.00 0.00 C ATOM 1229 C ALA A 79 -10.369 -3.000 -2.142 1.00 0.00 C ATOM 1230 O ALA A 79 -10.433 -3.163 -0.926 1.00 0.00 O ATOM 1231 CB ALA A 79 -8.049 -3.303 -2.969 1.00 0.00 C ATOM 0 H ALA A 79 -9.233 -3.575 -5.048 1.00 0.00 H new ATOM 0 HA ALA A 79 -9.455 -4.863 -2.563 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -7.714 -3.212 -1.936 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -7.377 -3.969 -3.511 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -8.043 -2.320 -3.440 1.00 0.00 H new ATOM 1237 N ARG A 80 -11.103 -2.099 -2.784 1.00 0.00 N ATOM 1238 CA ARG A 80 -11.991 -1.150 -2.083 1.00 0.00 C ATOM 1239 C ARG A 80 -13.107 -1.904 -1.357 1.00 0.00 C ATOM 1240 O ARG A 80 -13.640 -1.437 -0.348 1.00 0.00 O ATOM 1241 CB ARG A 80 -12.593 -0.175 -3.084 1.00 0.00 C ATOM 1242 CG ARG A 80 -11.556 0.493 -3.967 1.00 0.00 C ATOM 1243 CD ARG A 80 -12.199 1.313 -5.068 1.00 0.00 C ATOM 1244 NE ARG A 80 -12.707 2.594 -4.584 1.00 0.00 N ATOM 1245 CZ ARG A 80 -13.980 2.976 -4.483 1.00 0.00 C ATOM 1246 NH1 ARG A 80 -14.977 2.111 -4.630 1.00 0.00 N ATOM 1247 NH2 ARG A 80 -14.238 4.230 -4.197 1.00 0.00 N ATOM 0 H ARG A 80 -11.107 -1.997 -3.799 1.00 0.00 H new ATOM 0 HA ARG A 80 -11.406 -0.597 -1.348 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -13.308 -0.705 -3.713 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -13.149 0.592 -2.545 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -10.920 1.136 -3.358 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -10.911 -0.267 -4.409 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -11.470 1.490 -5.859 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -13.017 0.744 -5.510 1.00 0.00 H new ATOM 0 HE ARG A 80 -12.007 3.275 -4.289 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -14.777 1.130 -4.825 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -15.943 2.428 -4.548 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -13.472 4.889 -4.057 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -15.204 4.546 -4.115 1.00 0.00 H new ATOM 1261 N ARG A 81 -13.391 -3.110 -1.843 1.00 0.00 N ATOM 1262 CA ARG A 81 -14.419 -3.985 -1.285 1.00 0.00 C ATOM 1263 C ARG A 81 -14.026 -4.468 0.123 1.00 0.00 C ATOM 1264 O ARG A 81 -14.834 -5.028 0.832 1.00 0.00 O ATOM 1265 CB ARG A 81 -14.649 -5.191 -2.208 1.00 0.00 C ATOM 1266 CG ARG A 81 -15.067 -4.836 -3.632 1.00 0.00 C ATOM 1267 CD ARG A 81 -16.441 -4.202 -3.683 1.00 0.00 C ATOM 1268 NE ARG A 81 -17.485 -5.134 -3.251 1.00 0.00 N ATOM 1269 CZ ARG A 81 -18.787 -4.857 -3.206 1.00 0.00 C ATOM 1270 NH1 ARG A 81 -19.230 -3.642 -3.555 1.00 0.00 N ATOM 1271 NH2 ARG A 81 -19.644 -5.794 -2.811 1.00 0.00 N ATOM 0 H ARG A 81 -12.907 -3.512 -2.646 1.00 0.00 H new ATOM 0 HA ARG A 81 -15.344 -3.414 -1.207 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -13.732 -5.779 -2.249 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -15.416 -5.827 -1.767 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -14.337 -4.152 -4.063 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -15.061 -5.737 -4.246 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -16.457 -3.317 -3.047 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -16.650 -3.868 -4.699 1.00 0.00 H new ATOM 0 HE ARG A 81 -17.192 -6.067 -2.962 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -18.570 -2.926 -3.856 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -20.228 -3.433 -3.519 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -19.303 -6.718 -2.545 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -20.642 -5.589 -2.774 1.00 0.00 H new