USER MOD reduce.3.24.130724 H: found=0, std=0, add=558, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 559 hydrogens (19 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 NoAdj-H: B 9 M3L H2 : B 9 M3L N : B 8 ARG C :(H bumps) USER MOD NoAdj-H: B 9 M3L H : B 9 M3L N : B 8 ARG C :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 170:sc= -0.018 (180deg=-0.107) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= -0.104 X(o=-0.1,f=-0.18) USER MOD Single : A 17 LYS NZ :NH3+ 155:sc= 1.41 (180deg=0.717) USER MOD Single : A 20 TYR OH : rot 180:sc= -0.0832 USER MOD Single : A 23 LYS NZ :NH3+ -165:sc= 1.33 (180deg=1.01) USER MOD Single : A 25 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00811) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -4.45 X(o=-4.4,f=-4.1!) USER MOD Single : A 33 THR OG1 : rot 111:sc= 0.821 USER MOD Single : A 39 ASN : amide:sc= -2.44! C(o=-2.4!,f=-4.4!) USER MOD Single : A 42 CYS SG : rot 41:sc= -1.62 USER MOD Single : A 51 ASN :FLIP amide:sc= -0.0234 F(o=-1.5,f=-0.023) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.476 X(o=-0.48,f=-0.12) USER MOD Single : A 54 LYS NZ :NH3+ 155:sc= -0.637 (180deg=-1.66!) USER MOD Single : B 1 ALA N :NH3+ -110:sc= 0.0727 (180deg=0) USER MOD Single : B 3 THR OG1 : rot 180:sc= 0 USER MOD Single : B 4 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0305) USER MOD Single : B 5 GLN : amide:sc= -0.0648 K(o=-0.065,f=-9!) USER MOD Single : B 6 THR OG1 : rot 116:sc= 0.284 USER MOD Single : B 10 SER OG : rot 31:sc= 0.195 USER MOD Single : B 11 THR OG1 : rot -139:sc= 0.0193 USER MOD Single : B 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.264 0.597 1.628 1.00 0.00 N ATOM 2 CA GLY A 1 3.832 1.964 1.592 1.00 0.00 C ATOM 3 C GLY A 1 5.177 2.023 0.883 1.00 0.00 C ATOM 4 O GLY A 1 6.033 2.840 1.236 1.00 0.00 O ATOM 0 H1 GLY A 1 2.440 0.580 2.262 1.00 0.00 H new ATOM 0 H2 GLY A 1 2.970 0.318 0.670 1.00 0.00 H new ATOM 0 H3 GLY A 1 3.983 -0.069 1.977 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.131 2.631 1.089 1.00 0.00 H new ATOM 0 HA3 GLY A 1 3.947 2.332 2.611 1.00 0.00 H new ATOM 10 N GLU A 2 5.368 1.141 -0.116 1.00 0.00 N ATOM 11 CA GLU A 2 6.553 1.151 -0.982 1.00 0.00 C ATOM 12 C GLU A 2 6.284 2.056 -2.199 1.00 0.00 C ATOM 13 O GLU A 2 5.313 1.843 -2.931 1.00 0.00 O ATOM 14 CB GLU A 2 6.908 -0.288 -1.451 1.00 0.00 C ATOM 15 CG GLU A 2 8.224 -0.392 -2.259 1.00 0.00 C ATOM 16 CD GLU A 2 8.454 -1.790 -2.861 1.00 0.00 C ATOM 17 OE1 GLU A 2 9.002 -2.674 -2.171 1.00 0.00 O ATOM 18 OE2 GLU A 2 8.068 -2.019 -4.027 1.00 0.00 O ATOM 0 H GLU A 2 4.702 0.402 -0.342 1.00 0.00 H new ATOM 0 HA GLU A 2 7.401 1.539 -0.417 1.00 0.00 H new ATOM 0 HB2 GLU A 2 6.981 -0.934 -0.576 1.00 0.00 H new ATOM 0 HB3 GLU A 2 6.090 -0.670 -2.062 1.00 0.00 H new ATOM 0 HG2 GLU A 2 8.210 0.345 -3.062 1.00 0.00 H new ATOM 0 HG3 GLU A 2 9.063 -0.140 -1.610 1.00 0.00 H new ATOM 25 N PHE A 3 7.141 3.068 -2.393 1.00 0.00 N ATOM 26 CA PHE A 3 7.079 3.995 -3.536 1.00 0.00 C ATOM 27 C PHE A 3 8.498 4.197 -4.107 1.00 0.00 C ATOM 28 O PHE A 3 9.494 3.983 -3.410 1.00 0.00 O ATOM 29 CB PHE A 3 6.458 5.348 -3.081 1.00 0.00 C ATOM 30 CG PHE A 3 6.292 6.369 -4.204 1.00 0.00 C ATOM 31 CD1 PHE A 3 5.308 6.201 -5.177 1.00 0.00 C ATOM 32 CD2 PHE A 3 7.131 7.478 -4.307 1.00 0.00 C ATOM 33 CE1 PHE A 3 5.174 7.105 -6.210 1.00 0.00 C ATOM 34 CE2 PHE A 3 6.991 8.380 -5.339 1.00 0.00 C ATOM 35 CZ PHE A 3 6.015 8.192 -6.291 1.00 0.00 C ATOM 0 H PHE A 3 7.908 3.270 -1.752 1.00 0.00 H new ATOM 0 HA PHE A 3 6.447 3.579 -4.320 1.00 0.00 H new ATOM 0 HB2 PHE A 3 5.483 5.155 -2.633 1.00 0.00 H new ATOM 0 HB3 PHE A 3 7.087 5.780 -2.302 1.00 0.00 H new ATOM 0 HD1 PHE A 3 4.642 5.352 -5.121 1.00 0.00 H new ATOM 0 HD2 PHE A 3 7.902 7.632 -3.567 1.00 0.00 H new ATOM 0 HE1 PHE A 3 4.408 6.960 -6.957 1.00 0.00 H new ATOM 0 HE2 PHE A 3 7.648 9.235 -5.401 1.00 0.00 H new ATOM 0 HZ PHE A 3 5.909 8.897 -7.102 1.00 0.00 H new ATOM 45 N VAL A 4 8.573 4.597 -5.390 1.00 0.00 N ATOM 46 CA VAL A 4 9.844 4.910 -6.053 1.00 0.00 C ATOM 47 C VAL A 4 10.465 6.209 -5.487 1.00 0.00 C ATOM 48 O VAL A 4 9.944 7.315 -5.666 1.00 0.00 O ATOM 49 CB VAL A 4 9.693 4.978 -7.624 1.00 0.00 C ATOM 50 CG1 VAL A 4 8.549 5.932 -8.069 1.00 0.00 C ATOM 51 CG2 VAL A 4 11.044 5.341 -8.302 1.00 0.00 C ATOM 0 H VAL A 4 7.756 4.711 -5.990 1.00 0.00 H new ATOM 0 HA VAL A 4 10.530 4.091 -5.837 1.00 0.00 H new ATOM 0 HB VAL A 4 9.409 3.981 -7.961 1.00 0.00 H new ATOM 0 HG11 VAL A 4 8.487 5.943 -9.157 1.00 0.00 H new ATOM 0 HG12 VAL A 4 7.603 5.583 -7.655 1.00 0.00 H new ATOM 0 HG13 VAL A 4 8.754 6.940 -7.707 1.00 0.00 H new ATOM 0 HG21 VAL A 4 10.910 5.381 -9.383 1.00 0.00 H new ATOM 0 HG22 VAL A 4 11.382 6.313 -7.943 1.00 0.00 H new ATOM 0 HG23 VAL A 4 11.789 4.584 -8.057 1.00 0.00 H new ATOM 61 N VAL A 5 11.566 6.049 -4.754 1.00 0.00 N ATOM 62 CA VAL A 5 12.389 7.181 -4.302 1.00 0.00 C ATOM 63 C VAL A 5 13.241 7.691 -5.480 1.00 0.00 C ATOM 64 O VAL A 5 13.699 6.905 -6.299 1.00 0.00 O ATOM 65 CB VAL A 5 13.281 6.791 -3.057 1.00 0.00 C ATOM 66 CG1 VAL A 5 13.963 5.415 -3.229 1.00 0.00 C ATOM 67 CG2 VAL A 5 14.327 7.886 -2.726 1.00 0.00 C ATOM 0 H VAL A 5 11.915 5.138 -4.456 1.00 0.00 H new ATOM 0 HA VAL A 5 11.734 7.986 -3.968 1.00 0.00 H new ATOM 0 HB VAL A 5 12.599 6.713 -2.210 1.00 0.00 H new ATOM 0 HG11 VAL A 5 14.564 5.194 -2.347 1.00 0.00 H new ATOM 0 HG12 VAL A 5 13.202 4.645 -3.352 1.00 0.00 H new ATOM 0 HG13 VAL A 5 14.605 5.435 -4.110 1.00 0.00 H new ATOM 0 HG21 VAL A 5 14.918 7.576 -1.864 1.00 0.00 H new ATOM 0 HG22 VAL A 5 14.985 8.032 -3.583 1.00 0.00 H new ATOM 0 HG23 VAL A 5 13.815 8.821 -2.498 1.00 0.00 H new ATOM 77 N GLU A 6 13.387 9.017 -5.588 1.00 0.00 N ATOM 78 CA GLU A 6 14.234 9.661 -6.612 1.00 0.00 C ATOM 79 C GLU A 6 15.719 9.365 -6.335 1.00 0.00 C ATOM 80 O GLU A 6 16.412 8.772 -7.177 1.00 0.00 O ATOM 81 CB GLU A 6 13.981 11.190 -6.611 1.00 0.00 C ATOM 82 CG GLU A 6 14.736 11.991 -7.683 1.00 0.00 C ATOM 83 CD GLU A 6 14.451 13.499 -7.599 1.00 0.00 C ATOM 84 OE1 GLU A 6 13.337 13.926 -7.998 1.00 0.00 O ATOM 85 OE2 GLU A 6 15.312 14.264 -7.106 1.00 0.00 O ATOM 0 H GLU A 6 12.922 9.680 -4.968 1.00 0.00 H new ATOM 0 HA GLU A 6 13.978 9.259 -7.592 1.00 0.00 H new ATOM 0 HB2 GLU A 6 12.913 11.363 -6.740 1.00 0.00 H new ATOM 0 HB3 GLU A 6 14.252 11.584 -5.631 1.00 0.00 H new ATOM 0 HG2 GLU A 6 15.807 11.820 -7.573 1.00 0.00 H new ATOM 0 HG3 GLU A 6 14.455 11.626 -8.671 1.00 0.00 H new ATOM 92 N LYS A 7 16.191 9.784 -5.138 1.00 0.00 N ATOM 93 CA LYS A 7 17.607 9.653 -4.744 1.00 0.00 C ATOM 94 C LYS A 7 17.800 9.893 -3.236 1.00 0.00 C ATOM 95 O LYS A 7 16.912 10.418 -2.549 1.00 0.00 O ATOM 96 CB LYS A 7 18.497 10.638 -5.557 1.00 0.00 C ATOM 97 CG LYS A 7 18.160 12.136 -5.357 1.00 0.00 C ATOM 98 CD LYS A 7 19.099 13.074 -6.155 1.00 0.00 C ATOM 99 CE LYS A 7 20.586 12.931 -5.749 1.00 0.00 C ATOM 100 NZ LYS A 7 21.477 13.808 -6.546 1.00 0.00 N ATOM 0 H LYS A 7 15.604 10.218 -4.426 1.00 0.00 H new ATOM 0 HA LYS A 7 17.913 8.631 -4.966 1.00 0.00 H new ATOM 0 HB2 LYS A 7 19.539 10.475 -5.282 1.00 0.00 H new ATOM 0 HB3 LYS A 7 18.405 10.398 -6.616 1.00 0.00 H new ATOM 0 HG2 LYS A 7 17.129 12.316 -5.662 1.00 0.00 H new ATOM 0 HG3 LYS A 7 18.226 12.380 -4.297 1.00 0.00 H new ATOM 0 HD2 LYS A 7 18.997 12.861 -7.219 1.00 0.00 H new ATOM 0 HD3 LYS A 7 18.785 14.107 -6.005 1.00 0.00 H new ATOM 0 HE2 LYS A 7 20.696 13.171 -4.691 1.00 0.00 H new ATOM 0 HE3 LYS A 7 20.896 11.893 -5.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 22.461 13.676 -6.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 21.395 13.563 -7.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 21.201 14.801 -6.408 1.00 0.00 H new ATOM 114 N VAL A 8 18.983 9.487 -2.740 1.00 0.00 N ATOM 115 CA VAL A 8 19.457 9.795 -1.382 1.00 0.00 C ATOM 116 C VAL A 8 20.106 11.192 -1.383 1.00 0.00 C ATOM 117 O VAL A 8 20.842 11.542 -2.314 1.00 0.00 O ATOM 118 CB VAL A 8 20.500 8.722 -0.878 1.00 0.00 C ATOM 119 CG1 VAL A 8 21.058 9.086 0.526 1.00 0.00 C ATOM 120 CG2 VAL A 8 19.885 7.292 -0.890 1.00 0.00 C ATOM 0 H VAL A 8 19.644 8.928 -3.280 1.00 0.00 H new ATOM 0 HA VAL A 8 18.604 9.775 -0.703 1.00 0.00 H new ATOM 0 HB VAL A 8 21.340 8.728 -1.573 1.00 0.00 H new ATOM 0 HG11 VAL A 8 21.773 8.326 0.842 1.00 0.00 H new ATOM 0 HG12 VAL A 8 21.555 10.055 0.480 1.00 0.00 H new ATOM 0 HG13 VAL A 8 20.238 9.133 1.243 1.00 0.00 H new ATOM 0 HG21 VAL A 8 20.626 6.574 -0.538 1.00 0.00 H new ATOM 0 HG22 VAL A 8 19.014 7.265 -0.235 1.00 0.00 H new ATOM 0 HG23 VAL A 8 19.584 7.034 -1.905 1.00 0.00 H new ATOM 130 N LEU A 9 19.808 11.986 -0.346 1.00 0.00 N ATOM 131 CA LEU A 9 20.371 13.339 -0.172 1.00 0.00 C ATOM 132 C LEU A 9 21.360 13.372 1.006 1.00 0.00 C ATOM 133 O LEU A 9 22.311 14.164 0.992 1.00 0.00 O ATOM 134 CB LEU A 9 19.238 14.376 0.053 1.00 0.00 C ATOM 135 CG LEU A 9 18.162 14.490 -1.081 1.00 0.00 C ATOM 136 CD1 LEU A 9 17.129 15.590 -0.760 1.00 0.00 C ATOM 137 CD2 LEU A 9 18.809 14.715 -2.473 1.00 0.00 C ATOM 0 H LEU A 9 19.169 11.711 0.400 1.00 0.00 H new ATOM 0 HA LEU A 9 20.909 13.600 -1.083 1.00 0.00 H new ATOM 0 HB2 LEU A 9 18.728 14.128 0.984 1.00 0.00 H new ATOM 0 HB3 LEU A 9 19.694 15.356 0.191 1.00 0.00 H new ATOM 0 HG LEU A 9 17.635 13.537 -1.123 1.00 0.00 H new ATOM 0 HD11 LEU A 9 16.395 15.646 -1.564 1.00 0.00 H new ATOM 0 HD12 LEU A 9 16.624 15.353 0.176 1.00 0.00 H new ATOM 0 HD13 LEU A 9 17.637 16.550 -0.665 1.00 0.00 H new ATOM 0 HD21 LEU A 9 18.028 14.788 -3.230 1.00 0.00 H new ATOM 0 HD22 LEU A 9 19.389 15.638 -2.460 1.00 0.00 H new ATOM 0 HD23 LEU A 9 19.465 13.877 -2.709 1.00 0.00 H new ATOM 149 N ASP A 10 21.138 12.504 2.018 1.00 0.00 N ATOM 150 CA ASP A 10 21.916 12.524 3.268 1.00 0.00 C ATOM 151 C ASP A 10 21.798 11.171 4.005 1.00 0.00 C ATOM 152 O ASP A 10 20.948 10.344 3.662 1.00 0.00 O ATOM 153 CB ASP A 10 21.444 13.706 4.167 1.00 0.00 C ATOM 154 CG ASP A 10 22.496 14.110 5.212 1.00 0.00 C ATOM 155 OD1 ASP A 10 23.359 14.957 4.898 1.00 0.00 O ATOM 156 OD2 ASP A 10 22.484 13.574 6.336 1.00 0.00 O ATOM 0 H ASP A 10 20.421 11.779 1.989 1.00 0.00 H new ATOM 0 HA ASP A 10 22.969 12.676 3.030 1.00 0.00 H new ATOM 0 HB2 ASP A 10 21.213 14.566 3.538 1.00 0.00 H new ATOM 0 HB3 ASP A 10 20.521 13.425 4.675 1.00 0.00 H new ATOM 161 N ARG A 11 22.688 10.949 4.985 1.00 0.00 N ATOM 162 CA ARG A 11 22.761 9.724 5.803 1.00 0.00 C ATOM 163 C ARG A 11 23.039 10.097 7.281 1.00 0.00 C ATOM 164 O ARG A 11 23.904 10.937 7.563 1.00 0.00 O ATOM 165 CB ARG A 11 23.888 8.816 5.242 1.00 0.00 C ATOM 166 CG ARG A 11 24.286 7.598 6.114 1.00 0.00 C ATOM 167 CD ARG A 11 25.484 6.825 5.521 1.00 0.00 C ATOM 168 NE ARG A 11 26.043 5.839 6.469 1.00 0.00 N ATOM 169 CZ ARG A 11 27.313 5.410 6.484 1.00 0.00 C ATOM 170 NH1 ARG A 11 28.205 5.856 5.600 1.00 0.00 N ATOM 171 NH2 ARG A 11 27.699 4.545 7.408 1.00 0.00 N ATOM 0 H ARG A 11 23.398 11.636 5.239 1.00 0.00 H new ATOM 0 HA ARG A 11 21.814 9.186 5.761 1.00 0.00 H new ATOM 0 HB2 ARG A 11 23.577 8.449 4.264 1.00 0.00 H new ATOM 0 HB3 ARG A 11 24.775 9.429 5.085 1.00 0.00 H new ATOM 0 HG2 ARG A 11 24.536 7.939 7.119 1.00 0.00 H new ATOM 0 HG3 ARG A 11 23.433 6.926 6.209 1.00 0.00 H new ATOM 0 HD2 ARG A 11 25.168 6.313 4.612 1.00 0.00 H new ATOM 0 HD3 ARG A 11 26.263 7.532 5.234 1.00 0.00 H new ATOM 0 HE ARG A 11 25.410 5.453 7.170 1.00 0.00 H new ATOM 0 HH11 ARG A 11 27.926 6.537 4.894 1.00 0.00 H new ATOM 0 HH12 ARG A 11 29.166 5.516 5.630 1.00 0.00 H new ATOM 0 HH21 ARG A 11 27.032 4.209 8.103 1.00 0.00 H new ATOM 0 HH22 ARG A 11 28.664 4.214 7.426 1.00 0.00 H new ATOM 185 N ARG A 12 22.295 9.464 8.209 1.00 0.00 N ATOM 186 CA ARG A 12 22.473 9.612 9.671 1.00 0.00 C ATOM 187 C ARG A 12 22.450 8.222 10.335 1.00 0.00 C ATOM 188 O ARG A 12 22.230 7.206 9.671 1.00 0.00 O ATOM 189 CB ARG A 12 21.369 10.525 10.287 1.00 0.00 C ATOM 190 CG ARG A 12 19.967 9.880 10.405 1.00 0.00 C ATOM 191 CD ARG A 12 18.919 10.851 10.975 1.00 0.00 C ATOM 192 NE ARG A 12 17.611 10.202 11.155 1.00 0.00 N ATOM 193 CZ ARG A 12 16.483 10.821 11.528 1.00 0.00 C ATOM 194 NH1 ARG A 12 16.436 12.139 11.686 1.00 0.00 N ATOM 195 NH2 ARG A 12 15.395 10.102 11.718 1.00 0.00 N ATOM 0 H ARG A 12 21.540 8.824 7.962 1.00 0.00 H new ATOM 0 HA ARG A 12 23.436 10.088 9.856 1.00 0.00 H new ATOM 0 HB2 ARG A 12 21.692 10.838 11.280 1.00 0.00 H new ATOM 0 HB3 ARG A 12 21.286 11.427 9.680 1.00 0.00 H new ATOM 0 HG2 ARG A 12 19.644 9.538 9.422 1.00 0.00 H new ATOM 0 HG3 ARG A 12 20.028 9.000 11.045 1.00 0.00 H new ATOM 0 HD2 ARG A 12 19.267 11.239 11.932 1.00 0.00 H new ATOM 0 HD3 ARG A 12 18.812 11.704 10.305 1.00 0.00 H new ATOM 0 HE ARG A 12 17.559 9.198 10.982 1.00 0.00 H new ATOM 0 HH11 ARG A 12 17.270 12.702 11.523 1.00 0.00 H new ATOM 0 HH12 ARG A 12 15.565 12.588 11.971 1.00 0.00 H new ATOM 0 HH21 ARG A 12 15.421 9.092 11.581 1.00 0.00 H new ATOM 0 HH22 ARG A 12 14.527 10.556 12.002 1.00 0.00 H new ATOM 209 N VAL A 13 22.692 8.201 11.659 1.00 0.00 N ATOM 210 CA VAL A 13 22.575 6.990 12.490 1.00 0.00 C ATOM 211 C VAL A 13 21.620 7.261 13.670 1.00 0.00 C ATOM 212 O VAL A 13 21.911 8.100 14.522 1.00 0.00 O ATOM 213 CB VAL A 13 23.975 6.518 13.040 1.00 0.00 C ATOM 214 CG1 VAL A 13 23.823 5.294 13.986 1.00 0.00 C ATOM 215 CG2 VAL A 13 24.963 6.214 11.882 1.00 0.00 C ATOM 0 H VAL A 13 22.976 9.028 12.184 1.00 0.00 H new ATOM 0 HA VAL A 13 22.177 6.193 11.862 1.00 0.00 H new ATOM 0 HB VAL A 13 24.394 7.338 13.623 1.00 0.00 H new ATOM 0 HG11 VAL A 13 24.805 4.991 14.350 1.00 0.00 H new ATOM 0 HG12 VAL A 13 23.190 5.564 14.832 1.00 0.00 H new ATOM 0 HG13 VAL A 13 23.367 4.467 13.441 1.00 0.00 H new ATOM 0 HG21 VAL A 13 25.919 5.891 12.295 1.00 0.00 H new ATOM 0 HG22 VAL A 13 24.554 5.424 11.253 1.00 0.00 H new ATOM 0 HG23 VAL A 13 25.111 7.114 11.284 1.00 0.00 H new ATOM 225 N VAL A 14 20.473 6.567 13.692 1.00 0.00 N ATOM 226 CA VAL A 14 19.510 6.600 14.814 1.00 0.00 C ATOM 227 C VAL A 14 19.228 5.155 15.254 1.00 0.00 C ATOM 228 O VAL A 14 18.989 4.287 14.402 1.00 0.00 O ATOM 229 CB VAL A 14 18.165 7.341 14.426 1.00 0.00 C ATOM 230 CG1 VAL A 14 17.097 7.243 15.553 1.00 0.00 C ATOM 231 CG2 VAL A 14 18.441 8.824 14.062 1.00 0.00 C ATOM 0 H VAL A 14 20.180 5.960 12.926 1.00 0.00 H new ATOM 0 HA VAL A 14 19.947 7.167 15.636 1.00 0.00 H new ATOM 0 HB VAL A 14 17.759 6.835 13.550 1.00 0.00 H new ATOM 0 HG11 VAL A 14 16.192 7.765 15.243 1.00 0.00 H new ATOM 0 HG12 VAL A 14 16.864 6.195 15.744 1.00 0.00 H new ATOM 0 HG13 VAL A 14 17.486 7.700 16.463 1.00 0.00 H new ATOM 0 HG21 VAL A 14 17.504 9.314 13.799 1.00 0.00 H new ATOM 0 HG22 VAL A 14 18.888 9.331 14.917 1.00 0.00 H new ATOM 0 HG23 VAL A 14 19.125 8.869 13.214 1.00 0.00 H new ATOM 241 N ASN A 15 19.304 4.927 16.588 1.00 0.00 N ATOM 242 CA ASN A 15 19.127 3.601 17.233 1.00 0.00 C ATOM 243 C ASN A 15 20.333 2.668 16.925 1.00 0.00 C ATOM 244 O ASN A 15 20.294 1.461 17.176 1.00 0.00 O ATOM 245 CB ASN A 15 17.743 2.970 16.831 1.00 0.00 C ATOM 246 CG ASN A 15 17.360 1.686 17.593 1.00 0.00 C ATOM 247 OD1 ASN A 15 17.582 0.569 17.116 1.00 0.00 O ATOM 248 ND2 ASN A 15 16.808 1.835 18.792 1.00 0.00 N ATOM 0 H ASN A 15 19.493 5.672 17.258 1.00 0.00 H new ATOM 0 HA ASN A 15 19.109 3.733 18.315 1.00 0.00 H new ATOM 0 HB2 ASN A 15 16.963 3.714 16.990 1.00 0.00 H new ATOM 0 HB3 ASN A 15 17.759 2.749 15.764 1.00 0.00 H new ATOM 0 HD21 ASN A 15 16.556 1.014 19.343 1.00 0.00 H new ATOM 0 HD22 ASN A 15 16.636 2.770 19.162 1.00 0.00 H new ATOM 255 N GLY A 16 21.435 3.265 16.421 1.00 0.00 N ATOM 256 CA GLY A 16 22.594 2.498 15.958 1.00 0.00 C ATOM 257 C GLY A 16 22.406 1.915 14.556 1.00 0.00 C ATOM 258 O GLY A 16 23.216 1.112 14.093 1.00 0.00 O ATOM 0 H GLY A 16 21.539 4.275 16.328 1.00 0.00 H new ATOM 0 HA2 GLY A 16 23.474 3.142 15.962 1.00 0.00 H new ATOM 0 HA3 GLY A 16 22.789 1.687 16.659 1.00 0.00 H new ATOM 262 N LYS A 17 21.327 2.333 13.881 1.00 0.00 N ATOM 263 CA LYS A 17 20.965 1.889 12.521 1.00 0.00 C ATOM 264 C LYS A 17 21.115 3.074 11.551 1.00 0.00 C ATOM 265 O LYS A 17 20.997 4.236 11.948 1.00 0.00 O ATOM 266 CB LYS A 17 19.514 1.286 12.522 1.00 0.00 C ATOM 267 CG LYS A 17 18.496 1.921 11.536 1.00 0.00 C ATOM 268 CD LYS A 17 17.061 1.402 11.755 1.00 0.00 C ATOM 269 CE LYS A 17 16.532 1.728 13.150 1.00 0.00 C ATOM 270 NZ LYS A 17 16.466 3.189 13.396 1.00 0.00 N ATOM 0 H LYS A 17 20.665 3.004 14.270 1.00 0.00 H new ATOM 0 HA LYS A 17 21.634 1.097 12.185 1.00 0.00 H new ATOM 0 HB2 LYS A 17 19.587 0.222 12.298 1.00 0.00 H new ATOM 0 HB3 LYS A 17 19.110 1.372 13.531 1.00 0.00 H new ATOM 0 HG2 LYS A 17 18.509 3.005 11.653 1.00 0.00 H new ATOM 0 HG3 LYS A 17 18.804 1.707 10.513 1.00 0.00 H new ATOM 0 HD2 LYS A 17 16.401 1.841 11.007 1.00 0.00 H new ATOM 0 HD3 LYS A 17 17.041 0.323 11.604 1.00 0.00 H new ATOM 0 HE2 LYS A 17 15.539 1.296 13.270 1.00 0.00 H new ATOM 0 HE3 LYS A 17 17.175 1.264 13.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 15.748 3.387 14.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 17.393 3.528 13.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 16.211 3.678 12.514 1.00 0.00 H new ATOM 284 N VAL A 18 21.325 2.749 10.269 1.00 0.00 N ATOM 285 CA VAL A 18 21.677 3.728 9.223 1.00 0.00 C ATOM 286 C VAL A 18 20.408 4.155 8.467 1.00 0.00 C ATOM 287 O VAL A 18 19.730 3.316 7.880 1.00 0.00 O ATOM 288 CB VAL A 18 22.732 3.128 8.221 1.00 0.00 C ATOM 289 CG1 VAL A 18 23.141 4.165 7.152 1.00 0.00 C ATOM 290 CG2 VAL A 18 23.970 2.586 8.976 1.00 0.00 C ATOM 0 H VAL A 18 21.256 1.792 9.922 1.00 0.00 H new ATOM 0 HA VAL A 18 22.124 4.600 9.700 1.00 0.00 H new ATOM 0 HB VAL A 18 22.262 2.290 7.706 1.00 0.00 H new ATOM 0 HG11 VAL A 18 23.871 3.721 6.475 1.00 0.00 H new ATOM 0 HG12 VAL A 18 22.261 4.472 6.587 1.00 0.00 H new ATOM 0 HG13 VAL A 18 23.581 5.035 7.639 1.00 0.00 H new ATOM 0 HG21 VAL A 18 24.683 2.177 8.260 1.00 0.00 H new ATOM 0 HG22 VAL A 18 24.440 3.396 9.533 1.00 0.00 H new ATOM 0 HG23 VAL A 18 23.660 1.802 9.667 1.00 0.00 H new ATOM 300 N GLU A 19 20.088 5.463 8.497 1.00 0.00 N ATOM 301 CA GLU A 19 18.883 6.020 7.852 1.00 0.00 C ATOM 302 C GLU A 19 19.284 7.049 6.793 1.00 0.00 C ATOM 303 O GLU A 19 20.189 7.843 7.009 1.00 0.00 O ATOM 304 CB GLU A 19 17.944 6.644 8.919 1.00 0.00 C ATOM 305 CG GLU A 19 17.619 5.685 10.087 1.00 0.00 C ATOM 306 CD GLU A 19 16.514 6.172 11.032 1.00 0.00 C ATOM 307 OE1 GLU A 19 16.448 7.388 11.316 1.00 0.00 O ATOM 308 OE2 GLU A 19 15.725 5.333 11.525 1.00 0.00 O ATOM 0 H GLU A 19 20.658 6.164 8.970 1.00 0.00 H new ATOM 0 HA GLU A 19 18.338 5.218 7.355 1.00 0.00 H new ATOM 0 HB2 GLU A 19 18.408 7.546 9.318 1.00 0.00 H new ATOM 0 HB3 GLU A 19 17.014 6.949 8.440 1.00 0.00 H new ATOM 0 HG2 GLU A 19 17.325 4.720 9.675 1.00 0.00 H new ATOM 0 HG3 GLU A 19 18.527 5.521 10.667 1.00 0.00 H new ATOM 315 N TYR A 20 18.601 7.013 5.645 1.00 0.00 N ATOM 316 CA TYR A 20 18.891 7.869 4.487 1.00 0.00 C ATOM 317 C TYR A 20 17.728 8.839 4.239 1.00 0.00 C ATOM 318 O TYR A 20 16.565 8.425 4.234 1.00 0.00 O ATOM 319 CB TYR A 20 19.134 6.991 3.231 1.00 0.00 C ATOM 320 CG TYR A 20 20.380 6.093 3.339 1.00 0.00 C ATOM 321 CD1 TYR A 20 21.639 6.565 2.957 1.00 0.00 C ATOM 322 CD2 TYR A 20 20.306 4.788 3.840 1.00 0.00 C ATOM 323 CE1 TYR A 20 22.763 5.780 3.066 1.00 0.00 C ATOM 324 CE2 TYR A 20 21.436 4.003 3.954 1.00 0.00 C ATOM 325 CZ TYR A 20 22.660 4.505 3.561 1.00 0.00 C ATOM 326 OH TYR A 20 23.791 3.728 3.680 1.00 0.00 O ATOM 0 H TYR A 20 17.818 6.378 5.490 1.00 0.00 H new ATOM 0 HA TYR A 20 19.790 8.450 4.693 1.00 0.00 H new ATOM 0 HB2 TYR A 20 18.258 6.364 3.061 1.00 0.00 H new ATOM 0 HB3 TYR A 20 19.237 7.638 2.360 1.00 0.00 H new ATOM 0 HD1 TYR A 20 21.731 7.568 2.568 1.00 0.00 H new ATOM 0 HD2 TYR A 20 19.349 4.389 4.142 1.00 0.00 H new ATOM 0 HE1 TYR A 20 23.725 6.167 2.762 1.00 0.00 H new ATOM 0 HE2 TYR A 20 21.362 3.001 4.349 1.00 0.00 H new ATOM 0 HH TYR A 20 23.549 2.852 4.047 1.00 0.00 H new ATOM 336 N PHE A 21 18.060 10.129 4.047 1.00 0.00 N ATOM 337 CA PHE A 21 17.091 11.190 3.740 1.00 0.00 C ATOM 338 C PHE A 21 16.723 11.084 2.265 1.00 0.00 C ATOM 339 O PHE A 21 17.545 11.367 1.390 1.00 0.00 O ATOM 340 CB PHE A 21 17.719 12.571 4.063 1.00 0.00 C ATOM 341 CG PHE A 21 16.762 13.757 4.029 1.00 0.00 C ATOM 342 CD1 PHE A 21 15.656 13.800 4.880 1.00 0.00 C ATOM 343 CD2 PHE A 21 16.966 14.834 3.164 1.00 0.00 C ATOM 344 CE1 PHE A 21 14.789 14.877 4.872 1.00 0.00 C ATOM 345 CE2 PHE A 21 16.102 15.912 3.159 1.00 0.00 C ATOM 346 CZ PHE A 21 15.013 15.933 4.012 1.00 0.00 C ATOM 0 H PHE A 21 19.022 10.465 4.102 1.00 0.00 H new ATOM 0 HA PHE A 21 16.190 11.082 4.343 1.00 0.00 H new ATOM 0 HB2 PHE A 21 18.171 12.521 5.053 1.00 0.00 H new ATOM 0 HB3 PHE A 21 18.525 12.758 3.354 1.00 0.00 H new ATOM 0 HD1 PHE A 21 15.475 12.978 5.556 1.00 0.00 H new ATOM 0 HD2 PHE A 21 17.810 14.824 2.490 1.00 0.00 H new ATOM 0 HE1 PHE A 21 13.938 14.892 5.537 1.00 0.00 H new ATOM 0 HE2 PHE A 21 16.277 16.740 2.488 1.00 0.00 H new ATOM 0 HZ PHE A 21 14.338 16.776 4.005 1.00 0.00 H new ATOM 356 N LEU A 22 15.506 10.627 2.002 1.00 0.00 N ATOM 357 CA LEU A 22 15.058 10.289 0.660 1.00 0.00 C ATOM 358 C LEU A 22 14.264 11.423 0.041 1.00 0.00 C ATOM 359 O LEU A 22 13.248 11.848 0.605 1.00 0.00 O ATOM 360 CB LEU A 22 14.169 9.036 0.691 1.00 0.00 C ATOM 361 CG LEU A 22 14.821 7.724 1.214 1.00 0.00 C ATOM 362 CD1 LEU A 22 13.870 6.551 0.963 1.00 0.00 C ATOM 363 CD2 LEU A 22 16.225 7.467 0.603 1.00 0.00 C ATOM 0 H LEU A 22 14.797 10.480 2.721 1.00 0.00 H new ATOM 0 HA LEU A 22 15.949 10.104 0.060 1.00 0.00 H new ATOM 0 HB2 LEU A 22 13.299 9.253 1.310 1.00 0.00 H new ATOM 0 HB3 LEU A 22 13.804 8.854 -0.320 1.00 0.00 H new ATOM 0 HG LEU A 22 14.984 7.830 2.286 1.00 0.00 H new ATOM 0 HD11 LEU A 22 14.324 5.630 1.328 1.00 0.00 H new ATOM 0 HD12 LEU A 22 12.931 6.726 1.488 1.00 0.00 H new ATOM 0 HD13 LEU A 22 13.677 6.461 -0.106 1.00 0.00 H new ATOM 0 HD21 LEU A 22 16.632 6.539 1.004 1.00 0.00 H new ATOM 0 HD22 LEU A 22 16.141 7.389 -0.481 1.00 0.00 H new ATOM 0 HD23 LEU A 22 16.889 8.293 0.857 1.00 0.00 H new ATOM 375 N LYS A 23 14.732 11.899 -1.115 1.00 0.00 N ATOM 376 CA LYS A 23 13.912 12.678 -2.026 1.00 0.00 C ATOM 377 C LYS A 23 13.068 11.653 -2.788 1.00 0.00 C ATOM 378 O LYS A 23 13.616 10.833 -3.500 1.00 0.00 O ATOM 379 CB LYS A 23 14.793 13.550 -2.989 1.00 0.00 C ATOM 380 CG LYS A 23 14.089 14.801 -3.591 1.00 0.00 C ATOM 381 CD LYS A 23 12.862 14.455 -4.457 1.00 0.00 C ATOM 382 CE LYS A 23 12.235 15.650 -5.175 1.00 0.00 C ATOM 383 NZ LYS A 23 11.227 15.187 -6.165 1.00 0.00 N ATOM 0 H LYS A 23 15.688 11.752 -1.439 1.00 0.00 H new ATOM 0 HA LYS A 23 13.282 13.391 -1.495 1.00 0.00 H new ATOM 0 HB2 LYS A 23 15.678 13.879 -2.445 1.00 0.00 H new ATOM 0 HB3 LYS A 23 15.138 12.919 -3.808 1.00 0.00 H new ATOM 0 HG2 LYS A 23 13.778 15.459 -2.780 1.00 0.00 H new ATOM 0 HG3 LYS A 23 14.806 15.357 -4.195 1.00 0.00 H new ATOM 0 HD2 LYS A 23 13.155 13.714 -5.200 1.00 0.00 H new ATOM 0 HD3 LYS A 23 12.106 13.990 -3.824 1.00 0.00 H new ATOM 0 HE2 LYS A 23 11.764 16.313 -4.449 1.00 0.00 H new ATOM 0 HE3 LYS A 23 13.010 16.228 -5.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 10.996 15.965 -6.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 11.614 14.387 -6.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 10.365 14.884 -5.667 1.00 0.00 H new ATOM 397 N TRP A 24 11.747 11.668 -2.579 1.00 0.00 N ATOM 398 CA TRP A 24 10.814 10.761 -3.266 1.00 0.00 C ATOM 399 C TRP A 24 10.464 11.320 -4.656 1.00 0.00 C ATOM 400 O TRP A 24 10.240 12.527 -4.795 1.00 0.00 O ATOM 401 CB TRP A 24 9.553 10.565 -2.406 1.00 0.00 C ATOM 402 CG TRP A 24 9.848 9.923 -1.070 1.00 0.00 C ATOM 403 CD1 TRP A 24 10.176 10.554 0.100 1.00 0.00 C ATOM 404 CD2 TRP A 24 9.845 8.521 -0.780 1.00 0.00 C ATOM 405 NE1 TRP A 24 10.360 9.631 1.093 1.00 0.00 N ATOM 406 CE2 TRP A 24 10.173 8.377 0.577 1.00 0.00 C ATOM 407 CE3 TRP A 24 9.611 7.374 -1.543 1.00 0.00 C ATOM 408 CZ2 TRP A 24 10.256 7.134 1.191 1.00 0.00 C ATOM 409 CZ3 TRP A 24 9.687 6.138 -0.930 1.00 0.00 C ATOM 410 CH2 TRP A 24 10.009 6.027 0.427 1.00 0.00 C ATOM 0 H TRP A 24 11.292 12.309 -1.929 1.00 0.00 H new ATOM 0 HA TRP A 24 11.285 9.788 -3.406 1.00 0.00 H new ATOM 0 HB2 TRP A 24 9.077 11.532 -2.242 1.00 0.00 H new ATOM 0 HB3 TRP A 24 8.840 9.947 -2.951 1.00 0.00 H new ATOM 0 HD1 TRP A 24 10.275 11.623 0.221 1.00 0.00 H new ATOM 0 HE1 TRP A 24 10.598 9.843 2.062 1.00 0.00 H new ATOM 0 HE3 TRP A 24 9.375 7.452 -2.594 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 10.507 7.045 2.238 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 9.495 5.245 -1.506 1.00 0.00 H new ATOM 0 HH2 TRP A 24 10.064 5.048 0.880 1.00 0.00 H new ATOM 421 N LYS A 25 10.400 10.429 -5.662 1.00 0.00 N ATOM 422 CA LYS A 25 10.359 10.810 -7.090 1.00 0.00 C ATOM 423 C LYS A 25 9.100 11.631 -7.433 1.00 0.00 C ATOM 424 O LYS A 25 9.201 12.788 -7.856 1.00 0.00 O ATOM 425 CB LYS A 25 10.466 9.529 -7.959 1.00 0.00 C ATOM 426 CG LYS A 25 10.706 9.772 -9.465 1.00 0.00 C ATOM 427 CD LYS A 25 10.755 8.451 -10.277 1.00 0.00 C ATOM 428 CE LYS A 25 10.960 8.673 -11.787 1.00 0.00 C ATOM 429 NZ LYS A 25 12.275 9.297 -12.087 1.00 0.00 N ATOM 0 H LYS A 25 10.375 9.421 -5.509 1.00 0.00 H new ATOM 0 HA LYS A 25 11.208 11.459 -7.306 1.00 0.00 H new ATOM 0 HB2 LYS A 25 11.279 8.915 -7.573 1.00 0.00 H new ATOM 0 HB3 LYS A 25 9.548 8.953 -7.842 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.913 10.408 -9.858 1.00 0.00 H new ATOM 0 HG3 LYS A 25 11.643 10.312 -9.598 1.00 0.00 H new ATOM 0 HD2 LYS A 25 11.563 7.827 -9.895 1.00 0.00 H new ATOM 0 HD3 LYS A 25 9.827 7.901 -10.120 1.00 0.00 H new ATOM 0 HE2 LYS A 25 10.886 7.718 -12.307 1.00 0.00 H new ATOM 0 HE3 LYS A 25 10.162 9.308 -12.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 12.392 9.382 -13.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 12.317 10.242 -11.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 13.037 8.705 -11.699 1.00 0.00 H new ATOM 443 N GLY A 26 7.923 11.034 -7.196 1.00 0.00 N ATOM 444 CA GLY A 26 6.631 11.693 -7.430 1.00 0.00 C ATOM 445 C GLY A 26 6.112 12.478 -6.218 1.00 0.00 C ATOM 446 O GLY A 26 4.896 12.610 -6.033 1.00 0.00 O ATOM 0 H GLY A 26 7.840 10.083 -6.837 1.00 0.00 H new ATOM 0 HA2 GLY A 26 6.727 12.372 -8.277 1.00 0.00 H new ATOM 0 HA3 GLY A 26 5.894 10.940 -7.707 1.00 0.00 H new ATOM 450 N PHE A 27 7.043 12.985 -5.385 1.00 0.00 N ATOM 451 CA PHE A 27 6.743 13.859 -4.226 1.00 0.00 C ATOM 452 C PHE A 27 7.735 15.037 -4.189 1.00 0.00 C ATOM 453 O PHE A 27 8.757 15.020 -4.886 1.00 0.00 O ATOM 454 CB PHE A 27 6.799 13.063 -2.890 1.00 0.00 C ATOM 455 CG PHE A 27 5.669 12.047 -2.706 1.00 0.00 C ATOM 456 CD1 PHE A 27 4.420 12.447 -2.229 1.00 0.00 C ATOM 457 CD2 PHE A 27 5.846 10.696 -2.996 1.00 0.00 C ATOM 458 CE1 PHE A 27 3.394 11.536 -2.057 1.00 0.00 C ATOM 459 CE2 PHE A 27 4.816 9.787 -2.822 1.00 0.00 C ATOM 460 CZ PHE A 27 3.594 10.208 -2.349 1.00 0.00 C ATOM 0 H PHE A 27 8.039 12.798 -5.497 1.00 0.00 H new ATOM 0 HA PHE A 27 5.730 14.245 -4.342 1.00 0.00 H new ATOM 0 HB2 PHE A 27 7.753 12.539 -2.834 1.00 0.00 H new ATOM 0 HB3 PHE A 27 6.774 13.769 -2.060 1.00 0.00 H new ATOM 0 HD1 PHE A 27 4.252 13.487 -1.990 1.00 0.00 H new ATOM 0 HD2 PHE A 27 6.802 10.352 -3.362 1.00 0.00 H new ATOM 0 HE1 PHE A 27 2.433 11.869 -1.692 1.00 0.00 H new ATOM 0 HE2 PHE A 27 4.972 8.745 -3.058 1.00 0.00 H new ATOM 0 HZ PHE A 27 2.794 9.496 -2.208 1.00 0.00 H new ATOM 470 N THR A 28 7.425 16.042 -3.358 1.00 0.00 N ATOM 471 CA THR A 28 8.204 17.288 -3.263 1.00 0.00 C ATOM 472 C THR A 28 9.434 17.129 -2.341 1.00 0.00 C ATOM 473 O THR A 28 9.588 16.099 -1.666 1.00 0.00 O ATOM 474 CB THR A 28 7.292 18.452 -2.745 1.00 0.00 C ATOM 475 OG1 THR A 28 6.804 18.146 -1.428 1.00 0.00 O ATOM 476 CG2 THR A 28 6.092 18.706 -3.686 1.00 0.00 C ATOM 0 H THR A 28 6.623 16.015 -2.729 1.00 0.00 H new ATOM 0 HA THR A 28 8.569 17.527 -4.262 1.00 0.00 H new ATOM 0 HB THR A 28 7.901 19.356 -2.719 1.00 0.00 H new ATOM 0 HG1 THR A 28 6.236 18.879 -1.111 1.00 0.00 H new ATOM 0 HG21 THR A 28 5.485 19.521 -3.290 1.00 0.00 H new ATOM 0 HG22 THR A 28 6.457 18.974 -4.677 1.00 0.00 H new ATOM 0 HG23 THR A 28 5.486 17.803 -3.755 1.00 0.00 H new ATOM 484 N ASP A 29 10.302 18.167 -2.329 1.00 0.00 N ATOM 485 CA ASP A 29 11.500 18.225 -1.457 1.00 0.00 C ATOM 486 C ASP A 29 11.100 18.413 0.017 1.00 0.00 C ATOM 487 O ASP A 29 11.801 17.959 0.920 1.00 0.00 O ATOM 488 CB ASP A 29 12.460 19.362 -1.892 1.00 0.00 C ATOM 489 CG ASP A 29 13.035 19.139 -3.297 1.00 0.00 C ATOM 490 OD1 ASP A 29 13.950 18.303 -3.450 1.00 0.00 O ATOM 491 OD2 ASP A 29 12.571 19.787 -4.263 1.00 0.00 O ATOM 0 H ASP A 29 10.192 18.989 -2.924 1.00 0.00 H new ATOM 0 HA ASP A 29 12.023 17.274 -1.561 1.00 0.00 H new ATOM 0 HB2 ASP A 29 11.927 20.313 -1.868 1.00 0.00 H new ATOM 0 HB3 ASP A 29 13.278 19.437 -1.176 1.00 0.00 H new ATOM 496 N ALA A 30 9.965 19.092 0.240 1.00 0.00 N ATOM 497 CA ALA A 30 9.404 19.324 1.586 1.00 0.00 C ATOM 498 C ALA A 30 8.793 18.023 2.168 1.00 0.00 C ATOM 499 O ALA A 30 8.697 17.864 3.390 1.00 0.00 O ATOM 500 CB ALA A 30 8.355 20.457 1.531 1.00 0.00 C ATOM 0 H ALA A 30 9.405 19.499 -0.509 1.00 0.00 H new ATOM 0 HA ALA A 30 10.211 19.630 2.252 1.00 0.00 H new ATOM 0 HB1 ALA A 30 7.946 20.622 2.528 1.00 0.00 H new ATOM 0 HB2 ALA A 30 8.827 21.373 1.176 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.551 20.176 0.851 1.00 0.00 H new ATOM 506 N ASP A 31 8.427 17.081 1.270 1.00 0.00 N ATOM 507 CA ASP A 31 7.780 15.803 1.646 1.00 0.00 C ATOM 508 C ASP A 31 8.827 14.660 1.801 1.00 0.00 C ATOM 509 O ASP A 31 8.473 13.478 1.917 1.00 0.00 O ATOM 510 CB ASP A 31 6.686 15.454 0.593 1.00 0.00 C ATOM 511 CG ASP A 31 5.674 14.408 1.098 1.00 0.00 C ATOM 512 OD1 ASP A 31 4.836 14.752 1.957 1.00 0.00 O ATOM 513 OD2 ASP A 31 5.702 13.256 0.645 1.00 0.00 O ATOM 0 H ASP A 31 8.571 17.185 0.266 1.00 0.00 H new ATOM 0 HA ASP A 31 7.303 15.914 2.620 1.00 0.00 H new ATOM 0 HB2 ASP A 31 6.152 16.363 0.317 1.00 0.00 H new ATOM 0 HB3 ASP A 31 7.166 15.079 -0.311 1.00 0.00 H new ATOM 518 N ASN A 32 10.123 15.032 1.804 1.00 0.00 N ATOM 519 CA ASN A 32 11.254 14.104 2.050 1.00 0.00 C ATOM 520 C ASN A 32 11.249 13.572 3.496 1.00 0.00 C ATOM 521 O ASN A 32 10.936 14.314 4.437 1.00 0.00 O ATOM 522 CB ASN A 32 12.591 14.830 1.757 1.00 0.00 C ATOM 523 CG ASN A 32 12.884 15.093 0.278 1.00 0.00 C ATOM 524 OD1 ASN A 32 14.033 15.279 -0.093 1.00 0.00 O ATOM 525 ND2 ASN A 32 11.875 15.082 -0.590 1.00 0.00 N ATOM 0 H ASN A 32 10.420 15.993 1.635 1.00 0.00 H new ATOM 0 HA ASN A 32 11.143 13.249 1.383 1.00 0.00 H new ATOM 0 HB2 ASN A 32 12.591 15.784 2.285 1.00 0.00 H new ATOM 0 HB3 ASN A 32 13.406 14.236 2.172 1.00 0.00 H new ATOM 0 HD21 ASN A 32 12.055 15.230 -1.583 1.00 0.00 H new ATOM 0 HD22 ASN A 32 10.922 14.925 -0.262 1.00 0.00 H new ATOM 532 N THR A 33 11.622 12.287 3.661 1.00 0.00 N ATOM 533 CA THR A 33 11.595 11.588 4.963 1.00 0.00 C ATOM 534 C THR A 33 12.821 10.656 5.117 1.00 0.00 C ATOM 535 O THR A 33 13.404 10.206 4.121 1.00 0.00 O ATOM 536 CB THR A 33 10.270 10.759 5.127 1.00 0.00 C ATOM 537 OG1 THR A 33 10.061 9.928 3.974 1.00 0.00 O ATOM 538 CG2 THR A 33 9.030 11.643 5.337 1.00 0.00 C ATOM 0 H THR A 33 11.952 11.702 2.893 1.00 0.00 H new ATOM 0 HA THR A 33 11.633 12.346 5.745 1.00 0.00 H new ATOM 0 HB THR A 33 10.397 10.150 6.022 1.00 0.00 H new ATOM 0 HG1 THR A 33 10.176 8.987 4.224 1.00 0.00 H new ATOM 0 HG21 THR A 33 8.147 11.012 5.444 1.00 0.00 H new ATOM 0 HG22 THR A 33 9.159 12.242 6.238 1.00 0.00 H new ATOM 0 HG23 THR A 33 8.903 12.302 4.478 1.00 0.00 H new ATOM 546 N TRP A 34 13.190 10.372 6.383 1.00 0.00 N ATOM 547 CA TRP A 34 14.322 9.490 6.730 1.00 0.00 C ATOM 548 C TRP A 34 13.875 8.028 6.796 1.00 0.00 C ATOM 549 O TRP A 34 13.129 7.646 7.707 1.00 0.00 O ATOM 550 CB TRP A 34 14.932 9.883 8.094 1.00 0.00 C ATOM 551 CG TRP A 34 15.638 11.215 8.102 1.00 0.00 C ATOM 552 CD1 TRP A 34 15.115 12.436 8.431 1.00 0.00 C ATOM 553 CD2 TRP A 34 17.007 11.440 7.771 1.00 0.00 C ATOM 554 NE1 TRP A 34 16.088 13.396 8.349 1.00 0.00 N ATOM 555 CE2 TRP A 34 17.255 12.811 7.936 1.00 0.00 C ATOM 556 CE3 TRP A 34 18.039 10.606 7.351 1.00 0.00 C ATOM 557 CZ2 TRP A 34 18.510 13.370 7.695 1.00 0.00 C ATOM 558 CZ3 TRP A 34 19.279 11.152 7.110 1.00 0.00 C ATOM 559 CH2 TRP A 34 19.507 12.525 7.283 1.00 0.00 C ATOM 0 H TRP A 34 12.707 10.751 7.198 1.00 0.00 H new ATOM 0 HA TRP A 34 15.073 9.607 5.949 1.00 0.00 H new ATOM 0 HB2 TRP A 34 14.138 9.902 8.841 1.00 0.00 H new ATOM 0 HB3 TRP A 34 15.638 9.110 8.399 1.00 0.00 H new ATOM 0 HD1 TRP A 34 14.088 12.616 8.713 1.00 0.00 H new ATOM 0 HE1 TRP A 34 15.964 14.386 8.561 1.00 0.00 H new ATOM 0 HE3 TRP A 34 17.870 9.548 7.216 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 18.689 14.427 7.828 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 20.087 10.515 6.783 1.00 0.00 H new ATOM 0 HH2 TRP A 34 20.491 12.925 7.087 1.00 0.00 H new ATOM 570 N GLU A 35 14.338 7.211 5.845 1.00 0.00 N ATOM 571 CA GLU A 35 14.029 5.772 5.812 1.00 0.00 C ATOM 572 C GLU A 35 15.331 4.964 5.952 1.00 0.00 C ATOM 573 O GLU A 35 16.276 5.199 5.187 1.00 0.00 O ATOM 574 CB GLU A 35 13.314 5.385 4.495 1.00 0.00 C ATOM 575 CG GLU A 35 12.048 6.195 4.151 1.00 0.00 C ATOM 576 CD GLU A 35 11.058 6.355 5.324 1.00 0.00 C ATOM 577 OE1 GLU A 35 10.695 5.345 5.955 1.00 0.00 O ATOM 578 OE2 GLU A 35 10.631 7.489 5.613 1.00 0.00 O ATOM 0 H GLU A 35 14.935 7.523 5.079 1.00 0.00 H new ATOM 0 HA GLU A 35 13.360 5.544 6.642 1.00 0.00 H new ATOM 0 HB2 GLU A 35 14.024 5.491 3.675 1.00 0.00 H new ATOM 0 HB3 GLU A 35 13.044 4.330 4.548 1.00 0.00 H new ATOM 0 HG2 GLU A 35 12.347 7.185 3.806 1.00 0.00 H new ATOM 0 HG3 GLU A 35 11.534 5.709 3.321 1.00 0.00 H new ATOM 585 N PRO A 36 15.411 4.005 6.923 1.00 0.00 N ATOM 586 CA PRO A 36 16.612 3.163 7.111 1.00 0.00 C ATOM 587 C PRO A 36 16.858 2.202 5.937 1.00 0.00 C ATOM 588 O PRO A 36 15.934 1.865 5.201 1.00 0.00 O ATOM 589 CB PRO A 36 16.326 2.403 8.426 1.00 0.00 C ATOM 590 CG PRO A 36 14.833 2.397 8.562 1.00 0.00 C ATOM 591 CD PRO A 36 14.349 3.676 7.912 1.00 0.00 C ATOM 0 HA PRO A 36 17.523 3.759 7.155 1.00 0.00 H new ATOM 0 HB2 PRO A 36 16.722 1.388 8.388 1.00 0.00 H new ATOM 0 HB3 PRO A 36 16.797 2.897 9.276 1.00 0.00 H new ATOM 0 HG2 PRO A 36 14.400 1.524 8.074 1.00 0.00 H new ATOM 0 HG3 PRO A 36 14.537 2.356 9.610 1.00 0.00 H new ATOM 0 HD2 PRO A 36 13.383 3.536 7.428 1.00 0.00 H new ATOM 0 HD3 PRO A 36 14.226 4.474 8.645 1.00 0.00 H new ATOM 599 N GLU A 37 18.125 1.770 5.797 1.00 0.00 N ATOM 600 CA GLU A 37 18.580 0.822 4.752 1.00 0.00 C ATOM 601 C GLU A 37 17.791 -0.506 4.761 1.00 0.00 C ATOM 602 O GLU A 37 17.603 -1.126 3.707 1.00 0.00 O ATOM 603 CB GLU A 37 20.125 0.569 4.855 1.00 0.00 C ATOM 604 CG GLU A 37 20.752 0.587 6.279 1.00 0.00 C ATOM 605 CD GLU A 37 20.067 -0.304 7.325 1.00 0.00 C ATOM 606 OE1 GLU A 37 20.370 -1.512 7.391 1.00 0.00 O ATOM 607 OE2 GLU A 37 19.213 0.202 8.089 1.00 0.00 O ATOM 0 H GLU A 37 18.877 2.073 6.415 1.00 0.00 H new ATOM 0 HA GLU A 37 18.373 1.294 3.791 1.00 0.00 H new ATOM 0 HB2 GLU A 37 20.340 -0.399 4.403 1.00 0.00 H new ATOM 0 HB3 GLU A 37 20.632 1.322 4.252 1.00 0.00 H new ATOM 0 HG2 GLU A 37 21.796 0.283 6.199 1.00 0.00 H new ATOM 0 HG3 GLU A 37 20.746 1.614 6.645 1.00 0.00 H new ATOM 614 N GLU A 38 17.321 -0.918 5.956 1.00 0.00 N ATOM 615 CA GLU A 38 16.505 -2.130 6.131 1.00 0.00 C ATOM 616 C GLU A 38 15.125 -1.950 5.460 1.00 0.00 C ATOM 617 O GLU A 38 14.542 -2.892 4.915 1.00 0.00 O ATOM 618 CB GLU A 38 16.328 -2.454 7.643 1.00 0.00 C ATOM 619 CG GLU A 38 15.613 -1.359 8.477 1.00 0.00 C ATOM 620 CD GLU A 38 15.189 -1.828 9.880 1.00 0.00 C ATOM 621 OE1 GLU A 38 14.077 -2.371 10.024 1.00 0.00 O ATOM 622 OE2 GLU A 38 15.970 -1.683 10.840 1.00 0.00 O ATOM 0 H GLU A 38 17.499 -0.417 6.826 1.00 0.00 H new ATOM 0 HA GLU A 38 17.020 -2.964 5.655 1.00 0.00 H new ATOM 0 HB2 GLU A 38 15.765 -3.383 7.735 1.00 0.00 H new ATOM 0 HB3 GLU A 38 17.312 -2.633 8.077 1.00 0.00 H new ATOM 0 HG2 GLU A 38 16.276 -0.499 8.576 1.00 0.00 H new ATOM 0 HG3 GLU A 38 14.730 -1.020 7.935 1.00 0.00 H new ATOM 629 N ASN A 39 14.642 -0.706 5.506 1.00 0.00 N ATOM 630 CA ASN A 39 13.320 -0.306 5.032 1.00 0.00 C ATOM 631 C ASN A 39 13.369 0.095 3.537 1.00 0.00 C ATOM 632 O ASN A 39 12.337 0.108 2.858 1.00 0.00 O ATOM 633 CB ASN A 39 12.836 0.861 5.926 1.00 0.00 C ATOM 634 CG ASN A 39 11.406 1.312 5.678 1.00 0.00 C ATOM 635 OD1 ASN A 39 10.551 0.523 5.284 1.00 0.00 O ATOM 636 ND2 ASN A 39 11.139 2.582 5.909 1.00 0.00 N ATOM 0 H ASN A 39 15.179 0.073 5.887 1.00 0.00 H new ATOM 0 HA ASN A 39 12.618 -1.137 5.103 1.00 0.00 H new ATOM 0 HB2 ASN A 39 12.931 0.562 6.970 1.00 0.00 H new ATOM 0 HB3 ASN A 39 13.500 1.712 5.777 1.00 0.00 H new ATOM 0 HD21 ASN A 39 10.195 2.940 5.761 1.00 0.00 H new ATOM 0 HD22 ASN A 39 11.876 3.207 6.236 1.00 0.00 H new ATOM 643 N LEU A 40 14.582 0.403 3.019 1.00 0.00 N ATOM 644 CA LEU A 40 14.785 0.723 1.586 1.00 0.00 C ATOM 645 C LEU A 40 14.612 -0.533 0.721 1.00 0.00 C ATOM 646 O LEU A 40 14.669 -1.658 1.226 1.00 0.00 O ATOM 647 CB LEU A 40 16.190 1.361 1.331 1.00 0.00 C ATOM 648 CG LEU A 40 16.532 2.645 2.153 1.00 0.00 C ATOM 649 CD1 LEU A 40 17.794 3.353 1.631 1.00 0.00 C ATOM 650 CD2 LEU A 40 15.342 3.601 2.217 1.00 0.00 C ATOM 0 H LEU A 40 15.437 0.437 3.574 1.00 0.00 H new ATOM 0 HA LEU A 40 14.027 1.455 1.305 1.00 0.00 H new ATOM 0 HB2 LEU A 40 16.950 0.608 1.542 1.00 0.00 H new ATOM 0 HB3 LEU A 40 16.267 1.604 0.271 1.00 0.00 H new ATOM 0 HG LEU A 40 16.751 2.319 3.170 1.00 0.00 H new ATOM 0 HD11 LEU A 40 17.990 4.239 2.235 1.00 0.00 H new ATOM 0 HD12 LEU A 40 18.645 2.675 1.695 1.00 0.00 H new ATOM 0 HD13 LEU A 40 17.643 3.648 0.593 1.00 0.00 H new ATOM 0 HD21 LEU A 40 15.615 4.483 2.796 1.00 0.00 H new ATOM 0 HD22 LEU A 40 15.062 3.902 1.207 1.00 0.00 H new ATOM 0 HD23 LEU A 40 14.499 3.101 2.693 1.00 0.00 H new ATOM 662 N ASP A 41 14.415 -0.326 -0.581 1.00 0.00 N ATOM 663 CA ASP A 41 14.315 -1.414 -1.568 1.00 0.00 C ATOM 664 C ASP A 41 15.129 -1.004 -2.813 1.00 0.00 C ATOM 665 O ASP A 41 14.786 -1.323 -3.955 1.00 0.00 O ATOM 666 CB ASP A 41 12.810 -1.691 -1.872 1.00 0.00 C ATOM 667 CG ASP A 41 12.572 -2.993 -2.658 1.00 0.00 C ATOM 668 OD1 ASP A 41 12.952 -4.076 -2.157 1.00 0.00 O ATOM 669 OD2 ASP A 41 11.982 -2.953 -3.755 1.00 0.00 O ATOM 0 H ASP A 41 14.319 0.604 -0.988 1.00 0.00 H new ATOM 0 HA ASP A 41 14.732 -2.349 -1.193 1.00 0.00 H new ATOM 0 HB2 ASP A 41 12.260 -1.738 -0.932 1.00 0.00 H new ATOM 0 HB3 ASP A 41 12.402 -0.854 -2.439 1.00 0.00 H new ATOM 674 N CYS A 42 16.239 -0.272 -2.553 1.00 0.00 N ATOM 675 CA CYS A 42 17.134 0.253 -3.593 1.00 0.00 C ATOM 676 C CYS A 42 18.591 0.302 -3.079 1.00 0.00 C ATOM 677 O CYS A 42 18.985 1.264 -2.407 1.00 0.00 O ATOM 678 CB CYS A 42 16.670 1.661 -4.039 1.00 0.00 C ATOM 679 SG CYS A 42 16.551 2.875 -2.700 1.00 0.00 S ATOM 0 H CYS A 42 16.534 -0.032 -1.607 1.00 0.00 H new ATOM 0 HA CYS A 42 17.096 -0.415 -4.454 1.00 0.00 H new ATOM 0 HB2 CYS A 42 17.364 2.036 -4.791 1.00 0.00 H new ATOM 0 HB3 CYS A 42 15.696 1.573 -4.519 1.00 0.00 H new ATOM 0 HG CYS A 42 17.565 2.738 -1.899 1.00 0.00 H new ATOM 685 N PRO A 43 19.414 -0.757 -3.365 1.00 0.00 N ATOM 686 CA PRO A 43 20.876 -0.714 -3.113 1.00 0.00 C ATOM 687 C PRO A 43 21.604 0.136 -4.176 1.00 0.00 C ATOM 688 O PRO A 43 22.741 0.553 -3.979 1.00 0.00 O ATOM 689 CB PRO A 43 21.285 -2.205 -3.187 1.00 0.00 C ATOM 690 CG PRO A 43 20.310 -2.803 -4.161 1.00 0.00 C ATOM 691 CD PRO A 43 18.995 -2.079 -3.922 1.00 0.00 C ATOM 0 HA PRO A 43 21.138 -0.251 -2.162 1.00 0.00 H new ATOM 0 HB2 PRO A 43 22.313 -2.320 -3.530 1.00 0.00 H new ATOM 0 HB3 PRO A 43 21.219 -2.686 -2.211 1.00 0.00 H new ATOM 0 HG2 PRO A 43 20.650 -2.669 -5.188 1.00 0.00 H new ATOM 0 HG3 PRO A 43 20.202 -3.875 -3.999 1.00 0.00 H new ATOM 0 HD2 PRO A 43 18.428 -1.963 -4.846 1.00 0.00 H new ATOM 0 HD3 PRO A 43 18.359 -2.624 -3.224 1.00 0.00 H new ATOM 699 N GLU A 44 20.902 0.396 -5.292 1.00 0.00 N ATOM 700 CA GLU A 44 21.394 1.207 -6.413 1.00 0.00 C ATOM 701 C GLU A 44 21.721 2.647 -5.960 1.00 0.00 C ATOM 702 O GLU A 44 22.774 3.188 -6.312 1.00 0.00 O ATOM 703 CB GLU A 44 20.319 1.191 -7.527 1.00 0.00 C ATOM 704 CG GLU A 44 20.651 1.999 -8.798 1.00 0.00 C ATOM 705 CD GLU A 44 19.634 1.759 -9.936 1.00 0.00 C ATOM 706 OE1 GLU A 44 18.408 1.891 -9.695 1.00 0.00 O ATOM 707 OE2 GLU A 44 20.051 1.443 -11.077 1.00 0.00 O ATOM 0 H GLU A 44 19.958 0.040 -5.441 1.00 0.00 H new ATOM 0 HA GLU A 44 22.324 0.787 -6.796 1.00 0.00 H new ATOM 0 HB2 GLU A 44 20.138 0.155 -7.815 1.00 0.00 H new ATOM 0 HB3 GLU A 44 19.387 1.573 -7.111 1.00 0.00 H new ATOM 0 HG2 GLU A 44 20.673 3.061 -8.554 1.00 0.00 H new ATOM 0 HG3 GLU A 44 21.649 1.730 -9.145 1.00 0.00 H new ATOM 714 N LEU A 45 20.820 3.237 -5.145 1.00 0.00 N ATOM 715 CA LEU A 45 21.004 4.599 -4.597 1.00 0.00 C ATOM 716 C LEU A 45 22.077 4.632 -3.504 1.00 0.00 C ATOM 717 O LEU A 45 22.908 5.536 -3.492 1.00 0.00 O ATOM 718 CB LEU A 45 19.686 5.150 -4.013 1.00 0.00 C ATOM 719 CG LEU A 45 18.559 5.451 -5.029 1.00 0.00 C ATOM 720 CD1 LEU A 45 17.323 6.025 -4.306 1.00 0.00 C ATOM 721 CD2 LEU A 45 19.058 6.389 -6.159 1.00 0.00 C ATOM 0 H LEU A 45 19.953 2.788 -4.851 1.00 0.00 H new ATOM 0 HA LEU A 45 21.325 5.225 -5.430 1.00 0.00 H new ATOM 0 HB2 LEU A 45 19.308 4.432 -3.285 1.00 0.00 H new ATOM 0 HB3 LEU A 45 19.910 6.067 -3.469 1.00 0.00 H new ATOM 0 HG LEU A 45 18.261 4.516 -5.503 1.00 0.00 H new ATOM 0 HD11 LEU A 45 16.539 6.232 -5.034 1.00 0.00 H new ATOM 0 HD12 LEU A 45 16.959 5.301 -3.577 1.00 0.00 H new ATOM 0 HD13 LEU A 45 17.596 6.948 -3.795 1.00 0.00 H new ATOM 0 HD21 LEU A 45 18.244 6.582 -6.857 1.00 0.00 H new ATOM 0 HD22 LEU A 45 19.397 7.331 -5.727 1.00 0.00 H new ATOM 0 HD23 LEU A 45 19.884 5.914 -6.688 1.00 0.00 H new ATOM 733 N ILE A 46 22.030 3.646 -2.590 1.00 0.00 N ATOM 734 CA ILE A 46 22.951 3.575 -1.433 1.00 0.00 C ATOM 735 C ILE A 46 24.412 3.463 -1.911 1.00 0.00 C ATOM 736 O ILE A 46 25.305 4.161 -1.411 1.00 0.00 O ATOM 737 CB ILE A 46 22.599 2.350 -0.505 1.00 0.00 C ATOM 738 CG1 ILE A 46 21.106 2.414 -0.044 1.00 0.00 C ATOM 739 CG2 ILE A 46 23.549 2.276 0.715 1.00 0.00 C ATOM 740 CD1 ILE A 46 20.643 1.218 0.777 1.00 0.00 C ATOM 0 H ILE A 46 21.359 2.879 -2.629 1.00 0.00 H new ATOM 0 HA ILE A 46 22.834 4.493 -0.857 1.00 0.00 H new ATOM 0 HB ILE A 46 22.738 1.440 -1.089 1.00 0.00 H new ATOM 0 HG12 ILE A 46 20.960 3.320 0.544 1.00 0.00 H new ATOM 0 HG13 ILE A 46 20.471 2.500 -0.926 1.00 0.00 H new ATOM 0 HG21 ILE A 46 23.280 1.421 1.335 1.00 0.00 H new ATOM 0 HG22 ILE A 46 24.577 2.164 0.370 1.00 0.00 H new ATOM 0 HG23 ILE A 46 23.461 3.191 1.301 1.00 0.00 H new ATOM 0 HD11 ILE A 46 19.596 1.349 1.052 1.00 0.00 H new ATOM 0 HD12 ILE A 46 20.752 0.308 0.187 1.00 0.00 H new ATOM 0 HD13 ILE A 46 21.249 1.140 1.680 1.00 0.00 H new ATOM 752 N GLU A 47 24.623 2.584 -2.902 1.00 0.00 N ATOM 753 CA GLU A 47 25.931 2.380 -3.536 1.00 0.00 C ATOM 754 C GLU A 47 26.384 3.661 -4.248 1.00 0.00 C ATOM 755 O GLU A 47 27.465 4.154 -3.973 1.00 0.00 O ATOM 756 CB GLU A 47 25.877 1.196 -4.541 1.00 0.00 C ATOM 757 CG GLU A 47 27.192 0.943 -5.307 1.00 0.00 C ATOM 758 CD GLU A 47 27.144 -0.290 -6.229 1.00 0.00 C ATOM 759 OE1 GLU A 47 26.501 -0.214 -7.296 1.00 0.00 O ATOM 760 OE2 GLU A 47 27.770 -1.330 -5.905 1.00 0.00 O ATOM 0 H GLU A 47 23.886 1.993 -3.287 1.00 0.00 H new ATOM 0 HA GLU A 47 26.654 2.137 -2.757 1.00 0.00 H new ATOM 0 HB2 GLU A 47 25.607 0.289 -4.000 1.00 0.00 H new ATOM 0 HB3 GLU A 47 25.082 1.385 -5.263 1.00 0.00 H new ATOM 0 HG2 GLU A 47 27.429 1.823 -5.904 1.00 0.00 H new ATOM 0 HG3 GLU A 47 28.002 0.817 -4.589 1.00 0.00 H new ATOM 767 N ALA A 48 25.514 4.208 -5.129 1.00 0.00 N ATOM 768 CA ALA A 48 25.797 5.445 -5.911 1.00 0.00 C ATOM 769 C ALA A 48 26.128 6.651 -4.999 1.00 0.00 C ATOM 770 O ALA A 48 26.923 7.517 -5.365 1.00 0.00 O ATOM 771 CB ALA A 48 24.605 5.790 -6.820 1.00 0.00 C ATOM 0 H ALA A 48 24.595 3.808 -5.321 1.00 0.00 H new ATOM 0 HA ALA A 48 26.676 5.242 -6.523 1.00 0.00 H new ATOM 0 HB1 ALA A 48 24.828 6.696 -7.384 1.00 0.00 H new ATOM 0 HB2 ALA A 48 24.425 4.967 -7.512 1.00 0.00 H new ATOM 0 HB3 ALA A 48 23.717 5.952 -6.209 1.00 0.00 H new ATOM 777 N PHE A 49 25.500 6.668 -3.813 1.00 0.00 N ATOM 778 CA PHE A 49 25.705 7.691 -2.770 1.00 0.00 C ATOM 779 C PHE A 49 27.131 7.593 -2.182 1.00 0.00 C ATOM 780 O PHE A 49 27.797 8.617 -1.981 1.00 0.00 O ATOM 781 CB PHE A 49 24.613 7.517 -1.669 1.00 0.00 C ATOM 782 CG PHE A 49 24.840 8.306 -0.387 1.00 0.00 C ATOM 783 CD1 PHE A 49 24.684 9.693 -0.354 1.00 0.00 C ATOM 784 CD2 PHE A 49 25.218 7.659 0.792 1.00 0.00 C ATOM 785 CE1 PHE A 49 24.905 10.399 0.809 1.00 0.00 C ATOM 786 CE2 PHE A 49 25.441 8.370 1.950 1.00 0.00 C ATOM 787 CZ PHE A 49 25.282 9.737 1.958 1.00 0.00 C ATOM 0 H PHE A 49 24.820 5.956 -3.544 1.00 0.00 H new ATOM 0 HA PHE A 49 25.609 8.686 -3.204 1.00 0.00 H new ATOM 0 HB2 PHE A 49 23.650 7.809 -2.088 1.00 0.00 H new ATOM 0 HB3 PHE A 49 24.543 6.459 -1.416 1.00 0.00 H new ATOM 0 HD1 PHE A 49 24.387 10.219 -1.250 1.00 0.00 H new ATOM 0 HD2 PHE A 49 25.337 6.586 0.795 1.00 0.00 H new ATOM 0 HE1 PHE A 49 24.783 11.472 0.820 1.00 0.00 H new ATOM 0 HE2 PHE A 49 25.740 7.855 2.851 1.00 0.00 H new ATOM 0 HZ PHE A 49 25.453 10.293 2.868 1.00 0.00 H new ATOM 797 N LEU A 50 27.588 6.351 -1.925 1.00 0.00 N ATOM 798 CA LEU A 50 28.940 6.081 -1.379 1.00 0.00 C ATOM 799 C LEU A 50 30.018 6.247 -2.479 1.00 0.00 C ATOM 800 O LEU A 50 31.137 6.677 -2.207 1.00 0.00 O ATOM 801 CB LEU A 50 29.005 4.652 -0.776 1.00 0.00 C ATOM 802 CG LEU A 50 28.015 4.346 0.400 1.00 0.00 C ATOM 803 CD1 LEU A 50 28.159 2.886 0.879 1.00 0.00 C ATOM 804 CD2 LEU A 50 28.189 5.350 1.569 1.00 0.00 C ATOM 0 H LEU A 50 27.036 5.509 -2.088 1.00 0.00 H new ATOM 0 HA LEU A 50 29.139 6.804 -0.588 1.00 0.00 H new ATOM 0 HB2 LEU A 50 28.818 3.935 -1.575 1.00 0.00 H new ATOM 0 HB3 LEU A 50 30.021 4.477 -0.422 1.00 0.00 H new ATOM 0 HG LEU A 50 27.001 4.471 0.020 1.00 0.00 H new ATOM 0 HD11 LEU A 50 27.461 2.700 1.695 1.00 0.00 H new ATOM 0 HD12 LEU A 50 27.940 2.209 0.053 1.00 0.00 H new ATOM 0 HD13 LEU A 50 29.178 2.716 1.227 1.00 0.00 H new ATOM 0 HD21 LEU A 50 27.486 5.106 2.366 1.00 0.00 H new ATOM 0 HD22 LEU A 50 29.207 5.289 1.952 1.00 0.00 H new ATOM 0 HD23 LEU A 50 27.996 6.361 1.212 1.00 0.00 H new ATOM 816 N ASN A 51 29.638 5.925 -3.730 1.00 0.00 N ATOM 817 CA ASN A 51 30.528 5.998 -4.922 1.00 0.00 C ATOM 818 C ASN A 51 30.738 7.462 -5.341 1.00 0.00 C ATOM 819 O ASN A 51 31.765 7.806 -5.939 1.00 0.00 O ATOM 820 CB ASN A 51 29.938 5.169 -6.107 1.00 0.00 C ATOM 821 CG ASN A 51 30.001 3.630 -5.932 1.00 0.00 C ATOM 822 OD1 ASN A 51 29.910 3.123 -4.706 1.00 0.00 O flip ATOM 823 ND2 ASN A 51 30.124 2.895 -6.910 1.00 0.00 N flip ATOM 0 H ASN A 51 28.696 5.603 -3.952 1.00 0.00 H new ATOM 0 HA ASN A 51 31.494 5.569 -4.656 1.00 0.00 H new ATOM 0 HB2 ASN A 51 28.897 5.460 -6.250 1.00 0.00 H new ATOM 0 HB3 ASN A 51 30.472 5.437 -7.018 1.00 0.00 H new ATOM 0 HD21 ASN A 51 30.193 3.297 -7.845 1.00 0.00 H new ATOM 0 HD22 ASN A 51 30.157 1.883 -6.786 1.00 0.00 H new ATOM 830 N SER A 52 29.744 8.305 -5.008 1.00 0.00 N ATOM 831 CA SER A 52 29.811 9.763 -5.190 1.00 0.00 C ATOM 832 C SER A 52 30.908 10.366 -4.285 1.00 0.00 C ATOM 833 O SER A 52 31.565 11.334 -4.652 1.00 0.00 O ATOM 834 CB SER A 52 28.436 10.401 -4.858 1.00 0.00 C ATOM 835 OG SER A 52 28.435 11.802 -5.074 1.00 0.00 O ATOM 0 H SER A 52 28.864 7.988 -4.601 1.00 0.00 H new ATOM 0 HA SER A 52 30.060 9.977 -6.229 1.00 0.00 H new ATOM 0 HB2 SER A 52 27.664 9.939 -5.473 1.00 0.00 H new ATOM 0 HB3 SER A 52 28.182 10.194 -3.818 1.00 0.00 H new ATOM 0 HG SER A 52 27.552 12.166 -4.855 1.00 0.00 H new ATOM 841 N GLN A 53 31.096 9.748 -3.099 1.00 0.00 N ATOM 842 CA GLN A 53 32.063 10.198 -2.078 1.00 0.00 C ATOM 843 C GLN A 53 33.510 9.833 -2.478 1.00 0.00 C ATOM 844 O GLN A 53 34.452 10.535 -2.096 1.00 0.00 O ATOM 845 CB GLN A 53 31.681 9.584 -0.708 1.00 0.00 C ATOM 846 CG GLN A 53 30.237 9.926 -0.260 1.00 0.00 C ATOM 847 CD GLN A 53 29.758 9.145 0.964 1.00 0.00 C ATOM 848 OE1 GLN A 53 30.537 8.792 1.841 1.00 0.00 O ATOM 849 NE2 GLN A 53 28.473 8.846 1.013 1.00 0.00 N ATOM 0 H GLN A 53 30.576 8.916 -2.822 1.00 0.00 H new ATOM 0 HA GLN A 53 32.022 11.285 -2.001 1.00 0.00 H new ATOM 0 HB2 GLN A 53 31.790 8.501 -0.761 1.00 0.00 H new ATOM 0 HB3 GLN A 53 32.381 9.938 0.048 1.00 0.00 H new ATOM 0 HG2 GLN A 53 30.179 10.992 -0.042 1.00 0.00 H new ATOM 0 HG3 GLN A 53 29.556 9.733 -1.089 1.00 0.00 H new ATOM 0 HE21 GLN A 53 27.849 9.154 0.267 1.00 0.00 H new ATOM 0 HE22 GLN A 53 28.104 8.307 1.796 1.00 0.00 H new ATOM 858 N LYS A 54 33.678 8.734 -3.244 1.00 0.00 N ATOM 859 CA LYS A 54 34.991 8.337 -3.798 1.00 0.00 C ATOM 860 C LYS A 54 35.341 9.260 -4.993 1.00 0.00 C ATOM 861 O LYS A 54 36.313 10.043 -4.903 1.00 0.00 O ATOM 862 CB LYS A 54 34.994 6.836 -4.230 1.00 0.00 C ATOM 863 CG LYS A 54 36.325 6.358 -4.879 1.00 0.00 C ATOM 864 CD LYS A 54 36.317 4.857 -5.310 1.00 0.00 C ATOM 865 CE LYS A 54 36.601 3.864 -4.156 1.00 0.00 C ATOM 866 NZ LYS A 54 35.602 3.922 -3.057 1.00 0.00 N ATOM 867 OXT LYS A 54 34.614 9.230 -6.008 1.00 0.00 O ATOM 0 H LYS A 54 32.917 8.103 -3.494 1.00 0.00 H new ATOM 0 HA LYS A 54 35.750 8.449 -3.024 1.00 0.00 H new ATOM 0 HB2 LYS A 54 34.787 6.218 -3.356 1.00 0.00 H new ATOM 0 HB3 LYS A 54 34.180 6.672 -4.936 1.00 0.00 H new ATOM 0 HG2 LYS A 54 36.534 6.975 -5.753 1.00 0.00 H new ATOM 0 HG3 LYS A 54 37.140 6.519 -4.173 1.00 0.00 H new ATOM 0 HD2 LYS A 54 35.347 4.621 -5.747 1.00 0.00 H new ATOM 0 HD3 LYS A 54 37.062 4.711 -6.092 1.00 0.00 H new ATOM 0 HE2 LYS A 54 36.627 2.851 -4.558 1.00 0.00 H new ATOM 0 HE3 LYS A 54 37.590 4.070 -3.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 35.582 3.010 -2.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 35.863 4.676 -2.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 34.661 4.121 -3.453 1.00 0.00 H new TER 881 LYS A 54 ATOM 882 N ALA B 1 17.376 -3.027 -13.442 1.00 0.00 N ATOM 883 CA ALA B 1 17.476 -2.522 -14.833 1.00 0.00 C ATOM 884 C ALA B 1 16.575 -1.290 -15.013 1.00 0.00 C ATOM 885 O ALA B 1 15.577 -1.145 -14.302 1.00 0.00 O ATOM 886 CB ALA B 1 17.115 -3.626 -15.850 1.00 0.00 C ATOM 0 H1 ALA B 1 18.268 -2.843 -12.941 1.00 0.00 H new ATOM 0 H2 ALA B 1 16.597 -2.543 -12.952 1.00 0.00 H new ATOM 0 H3 ALA B 1 17.192 -4.051 -13.457 1.00 0.00 H new ATOM 0 HA ALA B 1 18.508 -2.227 -15.021 1.00 0.00 H new ATOM 0 HB1 ALA B 1 17.196 -3.229 -16.862 1.00 0.00 H new ATOM 0 HB2 ALA B 1 17.800 -4.466 -15.733 1.00 0.00 H new ATOM 0 HB3 ALA B 1 16.094 -3.963 -15.674 1.00 0.00 H new ATOM 894 N ARG B 2 16.969 -0.398 -15.962 1.00 0.00 N ATOM 895 CA ARG B 2 16.234 0.851 -16.327 1.00 0.00 C ATOM 896 C ARG B 2 16.176 1.879 -15.164 1.00 0.00 C ATOM 897 O ARG B 2 15.398 2.846 -15.231 1.00 0.00 O ATOM 898 CB ARG B 2 14.797 0.522 -16.854 1.00 0.00 C ATOM 899 CG ARG B 2 14.753 -0.350 -18.134 1.00 0.00 C ATOM 900 CD ARG B 2 15.362 0.347 -19.364 1.00 0.00 C ATOM 901 NE ARG B 2 15.274 -0.488 -20.574 1.00 0.00 N ATOM 902 CZ ARG B 2 15.956 -0.275 -21.706 1.00 0.00 C ATOM 903 NH1 ARG B 2 16.855 0.698 -21.797 1.00 0.00 N ATOM 904 NH2 ARG B 2 15.751 -1.059 -22.742 1.00 0.00 N ATOM 0 H ARG B 2 17.822 -0.527 -16.507 1.00 0.00 H new ATOM 0 HA ARG B 2 16.801 1.321 -17.130 1.00 0.00 H new ATOM 0 HB2 ARG B 2 14.245 0.011 -16.065 1.00 0.00 H new ATOM 0 HB3 ARG B 2 14.276 1.459 -17.052 1.00 0.00 H new ATOM 0 HG2 ARG B 2 15.289 -1.281 -17.950 1.00 0.00 H new ATOM 0 HG3 ARG B 2 13.718 -0.615 -18.350 1.00 0.00 H new ATOM 0 HD2 ARG B 2 14.846 1.291 -19.537 1.00 0.00 H new ATOM 0 HD3 ARG B 2 16.406 0.586 -19.164 1.00 0.00 H new ATOM 0 HE ARG B 2 14.645 -1.290 -20.547 1.00 0.00 H new ATOM 0 HH11 ARG B 2 17.037 1.301 -20.995 1.00 0.00 H new ATOM 0 HH12 ARG B 2 17.363 0.843 -22.669 1.00 0.00 H new ATOM 0 HH21 ARG B 2 15.077 -1.822 -22.679 1.00 0.00 H new ATOM 0 HH22 ARG B 2 16.266 -0.904 -23.609 1.00 0.00 H new ATOM 918 N THR B 3 17.040 1.667 -14.141 1.00 0.00 N ATOM 919 CA THR B 3 17.085 2.467 -12.903 1.00 0.00 C ATOM 920 C THR B 3 15.699 2.477 -12.205 1.00 0.00 C ATOM 921 O THR B 3 14.920 3.424 -12.348 1.00 0.00 O ATOM 922 CB THR B 3 17.633 3.920 -13.148 1.00 0.00 C ATOM 923 OG1 THR B 3 18.843 3.851 -13.916 1.00 0.00 O ATOM 924 CG2 THR B 3 17.925 4.664 -11.829 1.00 0.00 C ATOM 0 H THR B 3 17.735 0.921 -14.159 1.00 0.00 H new ATOM 0 HA THR B 3 17.795 1.988 -12.229 1.00 0.00 H new ATOM 0 HB THR B 3 16.862 4.472 -13.685 1.00 0.00 H new ATOM 0 HG1 THR B 3 19.184 4.757 -14.071 1.00 0.00 H new ATOM 0 HG21 THR B 3 18.301 5.663 -12.050 1.00 0.00 H new ATOM 0 HG22 THR B 3 17.008 4.743 -11.245 1.00 0.00 H new ATOM 0 HG23 THR B 3 18.672 4.113 -11.258 1.00 0.00 H new ATOM 932 N LYS B 4 15.365 1.350 -11.545 1.00 0.00 N ATOM 933 CA LYS B 4 14.128 1.198 -10.758 1.00 0.00 C ATOM 934 C LYS B 4 14.499 1.161 -9.270 1.00 0.00 C ATOM 935 O LYS B 4 14.771 0.092 -8.705 1.00 0.00 O ATOM 936 CB LYS B 4 13.352 -0.087 -11.179 1.00 0.00 C ATOM 937 CG LYS B 4 12.955 -0.153 -12.671 1.00 0.00 C ATOM 938 CD LYS B 4 12.182 1.102 -13.138 1.00 0.00 C ATOM 939 CE LYS B 4 11.731 1.025 -14.602 1.00 0.00 C ATOM 940 NZ LYS B 4 10.705 -0.025 -14.806 1.00 0.00 N ATOM 0 H LYS B 4 15.951 0.515 -11.544 1.00 0.00 H new ATOM 0 HA LYS B 4 13.466 2.043 -10.946 1.00 0.00 H new ATOM 0 HB2 LYS B 4 13.965 -0.957 -10.943 1.00 0.00 H new ATOM 0 HB3 LYS B 4 12.448 -0.161 -10.575 1.00 0.00 H new ATOM 0 HG2 LYS B 4 13.854 -0.268 -13.277 1.00 0.00 H new ATOM 0 HG3 LYS B 4 12.341 -1.037 -12.841 1.00 0.00 H new ATOM 0 HD2 LYS B 4 11.307 1.239 -12.502 1.00 0.00 H new ATOM 0 HD3 LYS B 4 12.814 1.980 -13.005 1.00 0.00 H new ATOM 0 HE2 LYS B 4 11.330 1.990 -14.910 1.00 0.00 H new ATOM 0 HE3 LYS B 4 12.592 0.820 -15.238 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 10.351 0.020 -15.783 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 11.126 -0.960 -14.633 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 9.917 0.127 -14.145 1.00 0.00 H new ATOM 954 N GLN B 5 14.533 2.346 -8.653 1.00 0.00 N ATOM 955 CA GLN B 5 15.008 2.528 -7.285 1.00 0.00 C ATOM 956 C GLN B 5 13.810 2.888 -6.368 1.00 0.00 C ATOM 957 O GLN B 5 13.262 3.984 -6.418 1.00 0.00 O ATOM 958 CB GLN B 5 16.177 3.578 -7.231 1.00 0.00 C ATOM 959 CG GLN B 5 15.854 5.069 -7.539 1.00 0.00 C ATOM 960 CD GLN B 5 15.688 5.481 -9.007 1.00 0.00 C ATOM 961 OE1 GLN B 5 15.217 4.730 -9.849 1.00 0.00 O ATOM 962 NE2 GLN B 5 16.085 6.714 -9.320 1.00 0.00 N ATOM 0 H GLN B 5 14.228 3.212 -9.097 1.00 0.00 H new ATOM 0 HA GLN B 5 15.434 1.597 -6.911 1.00 0.00 H new ATOM 0 HB2 GLN B 5 16.616 3.534 -6.234 1.00 0.00 H new ATOM 0 HB3 GLN B 5 16.946 3.254 -7.933 1.00 0.00 H new ATOM 0 HG2 GLN B 5 14.934 5.327 -7.014 1.00 0.00 H new ATOM 0 HG3 GLN B 5 16.649 5.679 -7.109 1.00 0.00 H new ATOM 0 HE21 GLN B 5 16.475 7.322 -8.600 1.00 0.00 H new ATOM 0 HE22 GLN B 5 15.999 7.049 -10.279 1.00 0.00 H new ATOM 971 N THR B 6 13.370 1.899 -5.575 1.00 0.00 N ATOM 972 CA THR B 6 12.193 2.006 -4.693 1.00 0.00 C ATOM 973 C THR B 6 12.603 1.952 -3.213 1.00 0.00 C ATOM 974 O THR B 6 13.748 1.658 -2.885 1.00 0.00 O ATOM 975 CB THR B 6 11.176 0.864 -5.027 1.00 0.00 C ATOM 976 OG1 THR B 6 11.881 -0.384 -5.147 1.00 0.00 O ATOM 977 CG2 THR B 6 10.406 1.139 -6.328 1.00 0.00 C ATOM 0 H THR B 6 13.827 0.988 -5.526 1.00 0.00 H new ATOM 0 HA THR B 6 11.715 2.970 -4.868 1.00 0.00 H new ATOM 0 HB THR B 6 10.451 0.818 -4.214 1.00 0.00 H new ATOM 0 HG1 THR B 6 11.581 -0.998 -4.445 1.00 0.00 H new ATOM 0 HG21 THR B 6 9.712 0.321 -6.520 1.00 0.00 H new ATOM 0 HG22 THR B 6 9.850 2.071 -6.231 1.00 0.00 H new ATOM 0 HG23 THR B 6 11.109 1.220 -7.157 1.00 0.00 H new ATOM 985 N ALA B 7 11.653 2.258 -2.332 1.00 0.00 N ATOM 986 CA ALA B 7 11.850 2.235 -0.880 1.00 0.00 C ATOM 987 C ALA B 7 10.499 2.256 -0.194 1.00 0.00 C ATOM 988 O ALA B 7 9.506 2.677 -0.783 1.00 0.00 O ATOM 989 CB ALA B 7 12.715 3.419 -0.415 1.00 0.00 C ATOM 0 H ALA B 7 10.710 2.533 -2.608 1.00 0.00 H new ATOM 0 HA ALA B 7 12.380 1.321 -0.610 1.00 0.00 H new ATOM 0 HB1 ALA B 7 12.843 3.374 0.667 1.00 0.00 H new ATOM 0 HB2 ALA B 7 13.691 3.369 -0.898 1.00 0.00 H new ATOM 0 HB3 ALA B 7 12.225 4.355 -0.684 1.00 0.00 H new ATOM 995 N ARG B 8 10.473 1.819 1.058 1.00 0.00 N ATOM 996 CA ARG B 8 9.243 1.687 1.847 1.00 0.00 C ATOM 997 C ARG B 8 9.261 2.736 2.971 1.00 0.00 C ATOM 998 O ARG B 8 10.315 3.310 3.267 1.00 0.00 O ATOM 999 CB ARG B 8 9.179 0.236 2.392 1.00 0.00 C ATOM 1000 CG ARG B 8 7.775 -0.296 2.747 1.00 0.00 C ATOM 1001 CD ARG B 8 7.811 -1.770 3.217 1.00 0.00 C ATOM 1002 NE ARG B 8 8.705 -2.603 2.387 1.00 0.00 N ATOM 1003 CZ ARG B 8 8.431 -3.097 1.173 1.00 0.00 C ATOM 1004 NH1 ARG B 8 7.236 -2.952 0.623 1.00 0.00 N ATOM 1005 NH2 ARG B 8 9.377 -3.746 0.519 1.00 0.00 N ATOM 0 H ARG B 8 11.313 1.541 1.566 1.00 0.00 H new ATOM 0 HA ARG B 8 8.351 1.867 1.247 1.00 0.00 H new ATOM 0 HB2 ARG B 8 9.620 -0.429 1.649 1.00 0.00 H new ATOM 0 HB3 ARG B 8 9.804 0.177 3.283 1.00 0.00 H new ATOM 0 HG2 ARG B 8 7.341 0.324 3.532 1.00 0.00 H new ATOM 0 HG3 ARG B 8 7.125 -0.210 1.877 1.00 0.00 H new ATOM 0 HD2 ARG B 8 8.141 -1.810 4.255 1.00 0.00 H new ATOM 0 HD3 ARG B 8 6.803 -2.183 3.187 1.00 0.00 H new ATOM 0 HE ARG B 8 9.621 -2.824 2.777 1.00 0.00 H new ATOM 0 HH11 ARG B 8 6.500 -2.455 1.125 1.00 0.00 H new ATOM 0 HH12 ARG B 8 7.051 -3.337 -0.303 1.00 0.00 H new ATOM 0 HH21 ARG B 8 10.299 -3.864 0.940 1.00 0.00 H new ATOM 0 HH22 ARG B 8 9.186 -4.129 -0.407 1.00 0.00 H new HETATM 1019 N M3L B 9 8.088 3.011 3.581 1.00 0.00 N HETATM 1020 CA M3L B 9 7.968 3.992 4.696 1.00 0.00 C HETATM 1021 CB M3L B 9 6.883 5.054 4.384 1.00 0.00 C HETATM 1022 CG M3L B 9 7.218 5.918 3.147 1.00 0.00 C HETATM 1023 CD M3L B 9 6.317 7.167 3.009 1.00 0.00 C HETATM 1024 CE M3L B 9 6.719 8.034 1.794 1.00 0.00 C HETATM 1025 NZ M3L B 9 6.065 9.433 1.762 1.00 0.00 N HETATM 1026 C M3L B 9 7.731 3.326 6.059 1.00 0.00 C HETATM 1027 O M3L B 9 7.493 4.019 7.055 1.00 0.00 O HETATM 1028 CM1 M3L B 9 6.511 10.260 2.985 1.00 0.00 C HETATM 1029 CM2 M3L B 9 6.514 10.149 0.485 1.00 0.00 C HETATM 1030 CM3 M3L B 9 4.537 9.303 1.761 1.00 0.00 C HETATM 0 HM33 M3L B 9 4.220 8.741 0.882 1.00 0.00 H new HETATM 0 HM32 M3L B 9 4.216 8.780 2.662 1.00 0.00 H new HETATM 0 HM31 M3L B 9 4.087 10.296 1.738 1.00 0.00 H new HETATM 0 HM23 M3L B 9 7.600 10.246 0.485 1.00 0.00 H new HETATM 0 HM22 M3L B 9 6.201 9.572 -0.385 1.00 0.00 H new HETATM 0 HM21 M3L B 9 6.061 11.140 0.445 1.00 0.00 H new HETATM 0 HM13 M3L B 9 6.211 9.748 3.899 1.00 0.00 H new HETATM 0 HM12 M3L B 9 7.595 10.374 2.972 1.00 0.00 H new HETATM 0 HM11 M3L B 9 6.043 11.244 2.950 1.00 0.00 H new HETATM 0 HG3 M3L B 9 8.259 6.235 3.205 1.00 0.00 H new HETATM 0 HG2 M3L B 9 7.120 5.308 2.249 1.00 0.00 H new HETATM 0 HE3 M3L B 9 7.802 8.153 1.791 1.00 0.00 H new HETATM 0 HE2 M3L B 9 6.454 7.502 0.880 1.00 0.00 H new HETATM 0 HD3 M3L B 9 5.278 6.856 2.905 1.00 0.00 H new HETATM 0 HD2 M3L B 9 6.382 7.764 3.919 1.00 0.00 H new HETATM 0 HB3 M3L B 9 5.929 4.553 4.222 1.00 0.00 H new HETATM 0 HB2 M3L B 9 6.759 5.703 5.251 1.00 0.00 H new HETATM 0 HA M3L B 9 8.930 4.498 4.773 1.00 0.00 H new ATOM 1050 N SER B 10 7.853 1.994 6.093 1.00 0.00 N ATOM 1051 CA SER B 10 7.751 1.190 7.326 1.00 0.00 C ATOM 1052 C SER B 10 8.095 -0.271 7.005 1.00 0.00 C ATOM 1053 O SER B 10 7.419 -0.893 6.180 1.00 0.00 O ATOM 1054 CB SER B 10 6.342 1.282 7.959 1.00 0.00 C ATOM 1055 OG SER B 10 5.330 0.951 7.021 1.00 0.00 O ATOM 0 H SER B 10 8.027 1.434 5.259 1.00 0.00 H new ATOM 0 HA SER B 10 8.458 1.588 8.054 1.00 0.00 H new ATOM 0 HB2 SER B 10 6.281 0.609 8.814 1.00 0.00 H new ATOM 0 HB3 SER B 10 6.176 2.292 8.335 1.00 0.00 H new ATOM 0 HG SER B 10 5.681 0.302 6.376 1.00 0.00 H new ATOM 1061 N THR B 11 9.167 -0.792 7.647 1.00 0.00 N ATOM 1062 CA THR B 11 9.622 -2.195 7.498 1.00 0.00 C ATOM 1063 C THR B 11 8.471 -3.174 7.826 1.00 0.00 C ATOM 1064 O THR B 11 8.173 -4.097 7.049 1.00 0.00 O ATOM 1065 CB THR B 11 10.854 -2.473 8.422 1.00 0.00 C ATOM 1066 OG1 THR B 11 11.876 -1.496 8.159 1.00 0.00 O ATOM 1067 CG2 THR B 11 11.430 -3.888 8.214 1.00 0.00 C ATOM 0 H THR B 11 9.744 -0.247 8.287 1.00 0.00 H new ATOM 0 HA THR B 11 9.925 -2.350 6.462 1.00 0.00 H new ATOM 0 HB THR B 11 10.516 -2.404 9.456 1.00 0.00 H new ATOM 0 HG1 THR B 11 12.753 -1.933 8.157 1.00 0.00 H new ATOM 0 HG21 THR B 11 12.283 -4.035 8.877 1.00 0.00 H new ATOM 0 HG22 THR B 11 10.664 -4.630 8.440 1.00 0.00 H new ATOM 0 HG23 THR B 11 11.751 -4.002 7.179 1.00 0.00 H new ATOM 1075 N GLY B 12 7.820 -2.931 8.974 1.00 0.00 N ATOM 1076 CA GLY B 12 6.557 -3.574 9.308 1.00 0.00 C ATOM 1077 C GLY B 12 5.401 -2.826 8.642 1.00 0.00 C ATOM 1078 O GLY B 12 4.725 -2.021 9.289 1.00 0.00 O ATOM 0 H GLY B 12 8.159 -2.286 9.688 1.00 0.00 H new ATOM 0 HA2 GLY B 12 6.569 -4.612 8.977 1.00 0.00 H new ATOM 0 HA3 GLY B 12 6.419 -3.586 10.389 1.00 0.00 H new ATOM 1082 N GLY B 13 5.233 -3.061 7.318 1.00 0.00 N ATOM 1083 CA GLY B 13 4.232 -2.376 6.483 1.00 0.00 C ATOM 1084 C GLY B 13 2.818 -2.887 6.732 1.00 0.00 C ATOM 1085 O GLY B 13 2.286 -3.678 5.946 1.00 0.00 O ATOM 0 H GLY B 13 5.795 -3.737 6.801 1.00 0.00 H new ATOM 0 HA2 GLY B 13 4.268 -1.305 6.682 1.00 0.00 H new ATOM 0 HA3 GLY B 13 4.485 -2.513 5.432 1.00 0.00 H new ATOM 1089 N LYS B 14 2.230 -2.438 7.852 1.00 0.00 N ATOM 1090 CA LYS B 14 0.883 -2.839 8.305 1.00 0.00 C ATOM 1091 C LYS B 14 0.267 -1.715 9.167 1.00 0.00 C ATOM 1092 O LYS B 14 0.991 -0.954 9.815 1.00 0.00 O ATOM 1093 CB LYS B 14 0.967 -4.163 9.118 1.00 0.00 C ATOM 1094 CG LYS B 14 1.894 -4.096 10.360 1.00 0.00 C ATOM 1095 CD LYS B 14 1.905 -5.396 11.192 1.00 0.00 C ATOM 1096 CE LYS B 14 2.445 -6.617 10.424 1.00 0.00 C ATOM 1097 NZ LYS B 14 2.442 -7.836 11.274 1.00 0.00 N ATOM 0 H LYS B 14 2.683 -1.775 8.481 1.00 0.00 H new ATOM 0 HA LYS B 14 0.246 -3.006 7.436 1.00 0.00 H new ATOM 0 HB2 LYS B 14 -0.036 -4.439 9.443 1.00 0.00 H new ATOM 0 HB3 LYS B 14 1.319 -4.957 8.460 1.00 0.00 H new ATOM 0 HG2 LYS B 14 2.910 -3.875 10.033 1.00 0.00 H new ATOM 0 HG3 LYS B 14 1.577 -3.270 10.996 1.00 0.00 H new ATOM 0 HD2 LYS B 14 2.512 -5.241 12.084 1.00 0.00 H new ATOM 0 HD3 LYS B 14 0.891 -5.610 11.530 1.00 0.00 H new ATOM 0 HE2 LYS B 14 1.836 -6.789 9.536 1.00 0.00 H new ATOM 0 HE3 LYS B 14 3.459 -6.413 10.080 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 2.811 -8.641 10.728 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 3.043 -7.679 12.108 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 1.470 -8.043 11.581 1.00 0.00 H new ATOM 1111 N ALA B 15 -1.070 -1.618 9.171 1.00 0.00 N ATOM 1112 CA ALA B 15 -1.802 -0.615 9.960 1.00 0.00 C ATOM 1113 C ALA B 15 -2.203 -1.234 11.323 1.00 0.00 C ATOM 1114 O ALA B 15 -3.242 -1.929 11.395 1.00 0.00 O ATOM 1115 CB ALA B 15 -3.020 -0.115 9.161 1.00 0.00 C ATOM 1116 OXT ALA B 15 -1.449 -1.071 12.305 1.00 0.00 O ATOM 0 H ALA B 15 -1.675 -2.233 8.627 1.00 0.00 H new ATOM 0 HA ALA B 15 -1.171 0.250 10.161 1.00 0.00 H new ATOM 0 HB1 ALA B 15 -3.560 0.628 9.748 1.00 0.00 H new ATOM 0 HB2 ALA B 15 -2.683 0.335 8.227 1.00 0.00 H new ATOM 0 HB3 ALA B 15 -3.680 -0.954 8.941 1.00 0.00 H new TER 1122 ALA B 15