USER MOD reduce.3.24.130724 H: found=0, std=0, add=462, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 458 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 1 ASN : amide:sc= -0.12 K(o=-0.12,f=-1) USER MOD Single : A 1 ASN N :NH3+ -108:sc= 0.0112 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= -0.0157 K(o=-0.016,f=-1) USER MOD Single : A 13 LYS NZ :NH3+ 176:sc= 1.81 (180deg=1.79) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc=-0.000943 K(o=-0.00094,f=-0.97) USER MOD Single : A 46 LYS NZ :NH3+ -174:sc= 0.923 (180deg=0.899) USER MOD Single : A 51 LYS NZ :NH3+ -173:sc= 0.947 (180deg=0.903) USER MOD Single : A 53 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 -5.704 14.300 0.525 1.00 0.00 N ATOM 2 CA ASN A 1 -4.810 13.148 0.540 1.00 0.00 C ATOM 3 C ASN A 1 -3.496 13.461 -0.163 1.00 0.00 C ATOM 4 O ASN A 1 -3.473 14.168 -1.171 1.00 0.00 O ATOM 5 CB ASN A 1 -5.464 11.931 -0.088 1.00 0.00 C ATOM 6 CG ASN A 1 -6.619 11.388 0.706 1.00 0.00 C ATOM 7 OD1 ASN A 1 -6.717 11.596 1.921 1.00 0.00 O ATOM 8 ND2 ASN A 1 -7.451 10.624 0.043 1.00 0.00 N ATOM 0 H1 ASN A 1 -5.762 14.707 1.480 1.00 0.00 H new ATOM 0 H2 ASN A 1 -5.337 15.016 -0.134 1.00 0.00 H new ATOM 0 H3 ASN A 1 -6.651 14.000 0.218 1.00 0.00 H new ATOM 0 HA ASN A 1 -4.597 12.920 1.584 1.00 0.00 H new ATOM 0 HB2 ASN A 1 -5.812 12.192 -1.087 1.00 0.00 H new ATOM 0 HB3 ASN A 1 -4.715 11.148 -0.206 1.00 0.00 H new ATOM 0 HD21 ASN A 1 -8.223 10.169 0.529 1.00 0.00 H new ATOM 0 HD22 ASN A 1 -7.327 10.484 -0.960 1.00 0.00 H new ATOM 17 N GLY A 2 -2.402 12.930 0.374 1.00 0.00 N ATOM 18 CA GLY A 2 -1.084 13.133 -0.214 1.00 0.00 C ATOM 19 C GLY A 2 -0.406 14.367 0.365 1.00 0.00 C ATOM 20 O GLY A 2 0.543 14.897 -0.213 1.00 0.00 O ATOM 0 H GLY A 2 -2.403 12.355 1.217 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -0.463 12.255 -0.033 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -1.178 13.240 -1.295 1.00 0.00 H new ATOM 24 N ASP A 3 -0.897 14.822 1.513 1.00 0.00 N ATOM 25 CA ASP A 3 -0.341 15.997 2.174 1.00 0.00 C ATOM 26 C ASP A 3 1.091 15.746 2.630 1.00 0.00 C ATOM 27 O ASP A 3 1.349 14.846 3.430 1.00 0.00 O ATOM 28 CB ASP A 3 -1.209 16.404 3.366 1.00 0.00 C ATOM 29 CG ASP A 3 -0.874 17.770 3.950 1.00 0.00 C ATOM 30 OD1 ASP A 3 0.266 17.988 4.286 1.00 0.00 O ATOM 31 OD2 ASP A 3 -1.718 18.632 3.913 1.00 0.00 O ATOM 0 H ASP A 3 -1.681 14.394 2.006 1.00 0.00 H new ATOM 0 HA ASP A 3 -0.331 16.812 1.450 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -2.254 16.401 3.057 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -1.106 15.652 4.149 1.00 0.00 H new ATOM 36 N LYS A 4 2.019 16.546 2.118 1.00 0.00 N ATOM 37 CA LYS A 4 3.433 16.380 2.431 1.00 0.00 C ATOM 38 C LYS A 4 3.756 16.919 3.818 1.00 0.00 C ATOM 39 O LYS A 4 4.710 16.477 4.460 1.00 0.00 O ATOM 40 CB LYS A 4 4.301 17.075 1.381 1.00 0.00 C ATOM 41 CG LYS A 4 4.269 16.421 0.006 1.00 0.00 C ATOM 42 CD LYS A 4 5.169 17.156 -0.977 1.00 0.00 C ATOM 43 CE LYS A 4 5.149 16.495 -2.347 1.00 0.00 C ATOM 44 NZ LYS A 4 6.028 17.201 -3.319 1.00 0.00 N ATOM 0 H LYS A 4 1.817 17.318 1.483 1.00 0.00 H new ATOM 0 HA LYS A 4 3.653 15.313 2.420 1.00 0.00 H new ATOM 0 HB2 LYS A 4 3.975 18.111 1.285 1.00 0.00 H new ATOM 0 HB3 LYS A 4 5.331 17.097 1.736 1.00 0.00 H new ATOM 0 HG2 LYS A 4 4.588 15.382 0.088 1.00 0.00 H new ATOM 0 HG3 LYS A 4 3.246 16.412 -0.371 1.00 0.00 H new ATOM 0 HD2 LYS A 4 4.843 18.192 -1.066 1.00 0.00 H new ATOM 0 HD3 LYS A 4 6.190 17.174 -0.595 1.00 0.00 H new ATOM 0 HE2 LYS A 4 5.471 15.458 -2.254 1.00 0.00 H new ATOM 0 HE3 LYS A 4 4.128 16.479 -2.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 5.985 16.719 -4.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 5.706 18.184 -3.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 7.008 17.194 -2.970 1.00 0.00 H new ATOM 58 N GLY A 5 2.958 17.876 4.277 1.00 0.00 N ATOM 59 CA GLY A 5 3.181 18.505 5.573 1.00 0.00 C ATOM 60 C GLY A 5 2.768 17.581 6.712 1.00 0.00 C ATOM 61 O GLY A 5 3.456 17.488 7.729 1.00 0.00 O ATOM 0 H GLY A 5 2.149 18.234 3.769 1.00 0.00 H new ATOM 0 HA2 GLY A 5 4.234 18.766 5.677 1.00 0.00 H new ATOM 0 HA3 GLY A 5 2.615 19.434 5.631 1.00 0.00 H new ATOM 65 N TYR A 6 1.643 16.897 6.535 1.00 0.00 N ATOM 66 CA TYR A 6 1.146 15.965 7.539 1.00 0.00 C ATOM 67 C TYR A 6 1.874 14.629 7.459 1.00 0.00 C ATOM 68 O TYR A 6 2.472 14.298 6.435 1.00 0.00 O ATOM 69 CB TYR A 6 -0.361 15.752 7.375 1.00 0.00 C ATOM 70 CG TYR A 6 -1.191 16.975 7.696 1.00 0.00 C ATOM 71 CD1 TYR A 6 -0.658 18.027 8.427 1.00 0.00 C ATOM 72 CD2 TYR A 6 -2.506 17.074 7.265 1.00 0.00 C ATOM 73 CE1 TYR A 6 -1.412 19.145 8.723 1.00 0.00 C ATOM 74 CE2 TYR A 6 -3.269 18.188 7.555 1.00 0.00 C ATOM 75 CZ TYR A 6 -2.719 19.223 8.284 1.00 0.00 C ATOM 76 OH TYR A 6 -3.474 20.335 8.575 1.00 0.00 O ATOM 0 H TYR A 6 1.057 16.971 5.703 1.00 0.00 H new ATOM 0 HA TYR A 6 1.337 16.400 8.520 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -0.565 15.445 6.349 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -0.675 14.932 8.021 1.00 0.00 H new ATOM 0 HD1 TYR A 6 0.364 17.970 8.770 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -2.940 16.267 6.693 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -0.982 19.954 9.295 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -4.292 18.249 7.213 1.00 0.00 H new ATOM 0 HH TYR A 6 -4.370 20.231 8.192 1.00 0.00 H new ATOM 86 N ASN A 7 1.819 13.865 8.545 1.00 0.00 N ATOM 87 CA ASN A 7 2.431 12.542 8.582 1.00 0.00 C ATOM 88 C ASN A 7 1.408 11.454 8.280 1.00 0.00 C ATOM 89 O ASN A 7 1.713 10.264 8.355 1.00 0.00 O ATOM 90 CB ASN A 7 3.100 12.277 9.918 1.00 0.00 C ATOM 91 CG ASN A 7 4.331 13.107 10.154 1.00 0.00 C ATOM 92 OD1 ASN A 7 5.022 13.511 9.212 1.00 0.00 O ATOM 93 ND2 ASN A 7 4.653 13.296 11.409 1.00 0.00 N ATOM 0 H ASN A 7 1.357 14.140 9.412 1.00 0.00 H new ATOM 0 HA ASN A 7 3.198 12.520 7.808 1.00 0.00 H new ATOM 0 HB2 ASN A 7 2.384 12.470 10.717 1.00 0.00 H new ATOM 0 HB3 ASN A 7 3.367 11.222 9.977 1.00 0.00 H new ATOM 0 HD21 ASN A 7 5.509 13.797 11.646 1.00 0.00 H new ATOM 0 HD22 ASN A 7 4.048 12.942 12.150 1.00 0.00 H new ATOM 100 N GLY A 8 0.194 11.869 7.937 1.00 0.00 N ATOM 101 CA GLY A 8 -0.880 10.931 7.633 1.00 0.00 C ATOM 102 C GLY A 8 -0.531 10.068 6.427 1.00 0.00 C ATOM 103 O GLY A 8 -0.834 8.875 6.396 1.00 0.00 O ATOM 0 H GLY A 8 -0.071 12.851 7.862 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -1.066 10.294 8.498 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -1.801 11.480 7.437 1.00 0.00 H new ATOM 107 N LEU A 9 0.107 10.679 5.434 1.00 0.00 N ATOM 108 CA LEU A 9 0.537 9.958 4.242 1.00 0.00 C ATOM 109 C LEU A 9 1.590 8.911 4.581 1.00 0.00 C ATOM 110 O LEU A 9 1.524 7.775 4.113 1.00 0.00 O ATOM 111 CB LEU A 9 1.079 10.941 3.196 1.00 0.00 C ATOM 112 CG LEU A 9 1.578 10.298 1.895 1.00 0.00 C ATOM 113 CD1 LEU A 9 0.430 9.590 1.187 1.00 0.00 C ATOM 114 CD2 LEU A 9 2.185 11.369 1.000 1.00 0.00 C ATOM 0 H LEU A 9 0.338 11.673 5.432 1.00 0.00 H new ATOM 0 HA LEU A 9 -0.329 9.441 3.828 1.00 0.00 H new ATOM 0 HB2 LEU A 9 0.294 11.657 2.951 1.00 0.00 H new ATOM 0 HB3 LEU A 9 1.898 11.506 3.641 1.00 0.00 H new ATOM 0 HG LEU A 9 2.344 9.557 2.126 1.00 0.00 H new ATOM 0 HD11 LEU A 9 0.795 9.137 0.265 1.00 0.00 H new ATOM 0 HD12 LEU A 9 0.025 8.814 1.837 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -0.353 10.311 0.952 1.00 0.00 H new ATOM 0 HD21 LEU A 9 2.540 10.913 0.076 1.00 0.00 H new ATOM 0 HD22 LEU A 9 1.430 12.120 0.768 1.00 0.00 H new ATOM 0 HD23 LEU A 9 3.021 11.843 1.515 1.00 0.00 H new ATOM 126 N ALA A 10 2.563 9.301 5.400 1.00 0.00 N ATOM 127 CA ALA A 10 3.638 8.400 5.793 1.00 0.00 C ATOM 128 C ALA A 10 3.108 7.236 6.620 1.00 0.00 C ATOM 129 O ALA A 10 3.552 6.099 6.464 1.00 0.00 O ATOM 130 CB ALA A 10 4.708 9.159 6.566 1.00 0.00 C ATOM 0 H ALA A 10 2.628 10.236 5.804 1.00 0.00 H new ATOM 0 HA ALA A 10 4.083 7.990 4.886 1.00 0.00 H new ATOM 0 HB1 ALA A 10 5.505 8.473 6.853 1.00 0.00 H new ATOM 0 HB2 ALA A 10 5.119 9.950 5.938 1.00 0.00 H new ATOM 0 HB3 ALA A 10 4.268 9.598 7.461 1.00 0.00 H new ATOM 136 N GLU A 11 2.155 7.527 7.499 1.00 0.00 N ATOM 137 CA GLU A 11 1.539 6.500 8.331 1.00 0.00 C ATOM 138 C GLU A 11 0.662 5.571 7.500 1.00 0.00 C ATOM 139 O GLU A 11 0.589 4.371 7.763 1.00 0.00 O ATOM 140 CB GLU A 11 0.716 7.139 9.450 1.00 0.00 C ATOM 141 CG GLU A 11 1.545 7.802 10.541 1.00 0.00 C ATOM 142 CD GLU A 11 0.671 8.524 11.529 1.00 0.00 C ATOM 143 OE1 GLU A 11 -0.517 8.564 11.323 1.00 0.00 O ATOM 144 OE2 GLU A 11 1.176 8.937 12.546 1.00 0.00 O ATOM 0 H GLU A 11 1.792 8.468 7.654 1.00 0.00 H new ATOM 0 HA GLU A 11 2.339 5.907 8.775 1.00 0.00 H new ATOM 0 HB2 GLU A 11 0.049 7.883 9.014 1.00 0.00 H new ATOM 0 HB3 GLU A 11 0.086 6.374 9.904 1.00 0.00 H new ATOM 0 HG2 GLU A 11 2.137 7.048 11.059 1.00 0.00 H new ATOM 0 HG3 GLU A 11 2.246 8.505 10.091 1.00 0.00 H new ATOM 151 N ALA A 12 -0.001 6.134 6.496 1.00 0.00 N ATOM 152 CA ALA A 12 -0.805 5.345 5.572 1.00 0.00 C ATOM 153 C ALA A 12 0.059 4.371 4.782 1.00 0.00 C ATOM 154 O ALA A 12 -0.295 3.204 4.616 1.00 0.00 O ATOM 155 CB ALA A 12 -1.579 6.256 4.630 1.00 0.00 C ATOM 0 H ALA A 12 0.003 7.135 6.302 1.00 0.00 H new ATOM 0 HA ALA A 12 -1.516 4.762 6.158 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -2.174 5.651 3.946 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -2.238 6.903 5.209 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -0.880 6.867 4.059 1.00 0.00 H new ATOM 161 N LYS A 13 1.196 4.858 4.294 1.00 0.00 N ATOM 162 CA LYS A 13 2.128 4.025 3.545 1.00 0.00 C ATOM 163 C LYS A 13 2.756 2.961 4.438 1.00 0.00 C ATOM 164 O LYS A 13 2.981 1.830 4.007 1.00 0.00 O ATOM 165 CB LYS A 13 3.219 4.883 2.904 1.00 0.00 C ATOM 166 CG LYS A 13 2.743 5.732 1.732 1.00 0.00 C ATOM 167 CD LYS A 13 3.885 6.541 1.136 1.00 0.00 C ATOM 168 CE LYS A 13 3.440 7.292 -0.112 1.00 0.00 C ATOM 169 NZ LYS A 13 4.574 7.989 -0.776 1.00 0.00 N ATOM 0 H LYS A 13 1.494 5.827 4.405 1.00 0.00 H new ATOM 0 HA LYS A 13 1.566 3.522 2.758 1.00 0.00 H new ATOM 0 HB2 LYS A 13 3.642 5.539 3.664 1.00 0.00 H new ATOM 0 HB3 LYS A 13 4.023 4.231 2.562 1.00 0.00 H new ATOM 0 HG2 LYS A 13 2.312 5.088 0.965 1.00 0.00 H new ATOM 0 HG3 LYS A 13 1.953 6.405 2.065 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.256 7.250 1.876 1.00 0.00 H new ATOM 0 HD3 LYS A 13 4.713 5.877 0.887 1.00 0.00 H new ATOM 0 HE2 LYS A 13 2.984 6.593 -0.813 1.00 0.00 H new ATOM 0 HE3 LYS A 13 2.674 8.020 0.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 4.242 8.431 -1.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 4.951 8.722 -0.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 5.324 7.302 -0.995 1.00 0.00 H new ATOM 183 N GLU A 14 3.037 3.332 5.683 1.00 0.00 N ATOM 184 CA GLU A 14 3.637 2.410 6.639 1.00 0.00 C ATOM 185 C GLU A 14 2.717 1.228 6.917 1.00 0.00 C ATOM 186 O GLU A 14 3.137 0.072 6.851 1.00 0.00 O ATOM 187 CB GLU A 14 3.970 3.134 7.946 1.00 0.00 C ATOM 188 CG GLU A 14 4.613 2.253 9.007 1.00 0.00 C ATOM 189 CD GLU A 14 4.905 3.032 10.260 1.00 0.00 C ATOM 190 OE1 GLU A 14 4.627 4.206 10.285 1.00 0.00 O ATOM 191 OE2 GLU A 14 5.302 2.430 11.230 1.00 0.00 O ATOM 0 H GLU A 14 2.858 4.266 6.053 1.00 0.00 H new ATOM 0 HA GLU A 14 4.559 2.029 6.200 1.00 0.00 H new ATOM 0 HB2 GLU A 14 4.640 3.965 7.726 1.00 0.00 H new ATOM 0 HB3 GLU A 14 3.054 3.562 8.353 1.00 0.00 H new ATOM 0 HG2 GLU A 14 3.951 1.419 9.241 1.00 0.00 H new ATOM 0 HG3 GLU A 14 5.537 1.827 8.617 1.00 0.00 H new ATOM 198 N LYS A 15 1.459 1.524 7.227 1.00 0.00 N ATOM 199 CA LYS A 15 0.489 0.489 7.569 1.00 0.00 C ATOM 200 C LYS A 15 0.073 -0.305 6.337 1.00 0.00 C ATOM 201 O LYS A 15 -0.308 -1.471 6.438 1.00 0.00 O ATOM 202 CB LYS A 15 -0.740 1.107 8.237 1.00 0.00 C ATOM 203 CG LYS A 15 -0.482 1.672 9.628 1.00 0.00 C ATOM 204 CD LYS A 15 -1.749 2.263 10.228 1.00 0.00 C ATOM 205 CE LYS A 15 -1.490 2.839 11.613 1.00 0.00 C ATOM 206 NZ LYS A 15 -2.719 3.430 12.208 1.00 0.00 N ATOM 0 H LYS A 15 1.087 2.473 7.249 1.00 0.00 H new ATOM 0 HA LYS A 15 0.965 -0.196 8.270 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -1.123 1.904 7.600 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -1.521 0.350 8.305 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -0.102 0.884 10.278 1.00 0.00 H new ATOM 0 HG3 LYS A 15 0.290 2.440 9.574 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -2.133 3.045 9.573 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -2.518 1.493 10.290 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -1.111 2.054 12.267 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -0.715 3.602 11.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -2.500 3.811 13.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -3.066 4.196 11.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -3.451 2.696 12.293 1.00 0.00 H new ATOM 220 N ALA A 16 0.148 0.335 5.175 1.00 0.00 N ATOM 221 CA ALA A 16 -0.165 -0.329 3.915 1.00 0.00 C ATOM 222 C ALA A 16 0.835 -1.438 3.613 1.00 0.00 C ATOM 223 O ALA A 16 0.451 -2.561 3.289 1.00 0.00 O ATOM 224 CB ALA A 16 -0.199 0.683 2.778 1.00 0.00 C ATOM 0 H ALA A 16 0.423 1.313 5.080 1.00 0.00 H new ATOM 0 HA ALA A 16 -1.151 -0.784 4.009 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -0.434 0.173 1.844 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -0.961 1.435 2.983 1.00 0.00 H new ATOM 0 HB3 ALA A 16 0.774 1.167 2.692 1.00 0.00 H new ATOM 230 N ILE A 17 2.119 -1.114 3.721 1.00 0.00 N ATOM 231 CA ILE A 17 3.178 -2.075 3.434 1.00 0.00 C ATOM 232 C ILE A 17 3.356 -3.059 4.582 1.00 0.00 C ATOM 233 O ILE A 17 3.916 -4.141 4.405 1.00 0.00 O ATOM 234 CB ILE A 17 4.519 -1.372 3.159 1.00 0.00 C ATOM 235 CG1 ILE A 17 5.013 -0.654 4.419 1.00 0.00 C ATOM 236 CG2 ILE A 17 4.380 -0.392 2.005 1.00 0.00 C ATOM 237 CD1 ILE A 17 6.395 -0.056 4.278 1.00 0.00 C ATOM 0 H ILE A 17 2.452 -0.193 4.005 1.00 0.00 H new ATOM 0 HA ILE A 17 2.874 -2.619 2.540 1.00 0.00 H new ATOM 0 HB ILE A 17 5.255 -2.126 2.881 1.00 0.00 H new ATOM 0 HG12 ILE A 17 4.309 0.138 4.674 1.00 0.00 H new ATOM 0 HG13 ILE A 17 5.015 -1.359 5.250 1.00 0.00 H new ATOM 0 HG21 ILE A 17 5.338 0.096 1.825 1.00 0.00 H new ATOM 0 HG22 ILE A 17 4.071 -0.928 1.108 1.00 0.00 H new ATOM 0 HG23 ILE A 17 3.631 0.360 2.254 1.00 0.00 H new ATOM 0 HD11 ILE A 17 6.676 0.435 5.210 1.00 0.00 H new ATOM 0 HD12 ILE A 17 7.112 -0.846 4.054 1.00 0.00 H new ATOM 0 HD13 ILE A 17 6.395 0.674 3.469 1.00 0.00 H new ATOM 249 N LYS A 18 2.875 -2.678 5.761 1.00 0.00 N ATOM 250 CA LYS A 18 2.741 -3.611 6.873 1.00 0.00 C ATOM 251 C LYS A 18 1.780 -4.742 6.528 1.00 0.00 C ATOM 252 O LYS A 18 2.097 -5.917 6.713 1.00 0.00 O ATOM 253 CB LYS A 18 2.266 -2.882 8.130 1.00 0.00 C ATOM 254 CG LYS A 18 2.125 -3.773 9.358 1.00 0.00 C ATOM 255 CD LYS A 18 1.709 -2.969 10.581 1.00 0.00 C ATOM 256 CE LYS A 18 1.519 -3.866 11.795 1.00 0.00 C ATOM 257 NZ LYS A 18 1.085 -3.095 12.993 1.00 0.00 N ATOM 0 H LYS A 18 2.571 -1.727 5.971 1.00 0.00 H new ATOM 0 HA LYS A 18 3.723 -4.044 7.066 1.00 0.00 H new ATOM 0 HB2 LYS A 18 2.968 -2.079 8.357 1.00 0.00 H new ATOM 0 HB3 LYS A 18 1.303 -2.415 7.923 1.00 0.00 H new ATOM 0 HG2 LYS A 18 1.386 -4.550 9.163 1.00 0.00 H new ATOM 0 HG3 LYS A 18 3.072 -4.276 9.556 1.00 0.00 H new ATOM 0 HD2 LYS A 18 2.466 -2.216 10.798 1.00 0.00 H new ATOM 0 HD3 LYS A 18 0.781 -2.437 10.371 1.00 0.00 H new ATOM 0 HE2 LYS A 18 0.777 -4.632 11.568 1.00 0.00 H new ATOM 0 HE3 LYS A 18 2.453 -4.382 12.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 0.967 -3.742 13.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 1.804 -2.381 13.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 0.180 -2.623 12.793 1.00 0.00 H new ATOM 271 N ASP A 19 0.604 -4.380 6.026 1.00 0.00 N ATOM 272 CA ASP A 19 -0.357 -5.363 5.542 1.00 0.00 C ATOM 273 C ASP A 19 0.247 -6.230 4.445 1.00 0.00 C ATOM 274 O ASP A 19 0.104 -7.453 4.458 1.00 0.00 O ATOM 275 CB ASP A 19 -1.620 -4.669 5.026 1.00 0.00 C ATOM 276 CG ASP A 19 -2.512 -4.093 6.118 1.00 0.00 C ATOM 277 OD1 ASP A 19 -2.296 -4.412 7.264 1.00 0.00 O ATOM 278 OD2 ASP A 19 -3.295 -3.222 5.820 1.00 0.00 O ATOM 0 H ASP A 19 0.294 -3.412 5.944 1.00 0.00 H new ATOM 0 HA ASP A 19 -0.624 -6.008 6.379 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -1.328 -3.865 4.351 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -2.199 -5.383 4.440 1.00 0.00 H new ATOM 283 N LEU A 20 0.924 -5.591 3.497 1.00 0.00 N ATOM 284 CA LEU A 20 1.517 -6.299 2.369 1.00 0.00 C ATOM 285 C LEU A 20 2.510 -7.354 2.841 1.00 0.00 C ATOM 286 O LEU A 20 2.504 -8.486 2.358 1.00 0.00 O ATOM 287 CB LEU A 20 2.204 -5.307 1.423 1.00 0.00 C ATOM 288 CG LEU A 20 1.261 -4.347 0.687 1.00 0.00 C ATOM 289 CD1 LEU A 20 2.065 -3.358 -0.145 1.00 0.00 C ATOM 290 CD2 LEU A 20 0.308 -5.143 -0.194 1.00 0.00 C ATOM 0 H LEU A 20 1.076 -4.582 3.488 1.00 0.00 H new ATOM 0 HA LEU A 20 0.717 -6.807 1.830 1.00 0.00 H new ATOM 0 HB2 LEU A 20 2.920 -4.719 1.997 1.00 0.00 H new ATOM 0 HB3 LEU A 20 2.774 -5.870 0.683 1.00 0.00 H new ATOM 0 HG LEU A 20 0.677 -3.784 1.415 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.385 -2.681 -0.663 1.00 0.00 H new ATOM 0 HD12 LEU A 20 2.722 -2.783 0.508 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.664 -3.900 -0.876 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.361 -4.459 -0.716 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.880 -5.718 -0.922 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.278 -5.822 0.425 1.00 0.00 H new ATOM 302 N LYS A 21 3.360 -6.976 3.790 1.00 0.00 N ATOM 303 CA LYS A 21 4.366 -7.888 4.324 1.00 0.00 C ATOM 304 C LYS A 21 3.717 -9.051 5.062 1.00 0.00 C ATOM 305 O LYS A 21 4.258 -10.157 5.094 1.00 0.00 O ATOM 306 CB LYS A 21 5.322 -7.142 5.255 1.00 0.00 C ATOM 307 CG LYS A 21 6.316 -6.234 4.541 1.00 0.00 C ATOM 308 CD LYS A 21 7.229 -5.527 5.531 1.00 0.00 C ATOM 309 CE LYS A 21 8.215 -4.611 4.819 1.00 0.00 C ATOM 310 NZ LYS A 21 9.119 -3.916 5.775 1.00 0.00 N ATOM 0 H LYS A 21 3.373 -6.044 4.205 1.00 0.00 H new ATOM 0 HA LYS A 21 4.932 -8.291 3.484 1.00 0.00 H new ATOM 0 HB2 LYS A 21 4.737 -6.542 5.952 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.875 -7.871 5.848 1.00 0.00 H new ATOM 0 HG2 LYS A 21 6.916 -6.823 3.847 1.00 0.00 H new ATOM 0 HG3 LYS A 21 5.776 -5.495 3.949 1.00 0.00 H new ATOM 0 HD2 LYS A 21 6.629 -4.945 6.230 1.00 0.00 H new ATOM 0 HD3 LYS A 21 7.775 -6.266 6.117 1.00 0.00 H new ATOM 0 HE2 LYS A 21 8.810 -5.195 4.116 1.00 0.00 H new ATOM 0 HE3 LYS A 21 7.667 -3.872 4.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 9.774 -3.303 5.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 8.554 -3.339 6.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 9.662 -4.620 6.314 1.00 0.00 H new ATOM 324 N ILE A 22 2.556 -8.797 5.655 1.00 0.00 N ATOM 325 CA ILE A 22 1.798 -9.839 6.337 1.00 0.00 C ATOM 326 C ILE A 22 1.311 -10.898 5.355 1.00 0.00 C ATOM 327 O ILE A 22 1.159 -12.066 5.711 1.00 0.00 O ATOM 328 CB ILE A 22 0.590 -9.258 7.092 1.00 0.00 C ATOM 329 CG1 ILE A 22 1.056 -8.461 8.313 1.00 0.00 C ATOM 330 CG2 ILE A 22 -0.362 -10.369 7.510 1.00 0.00 C ATOM 331 CD1 ILE A 22 -0.027 -7.612 8.938 1.00 0.00 C ATOM 0 H ILE A 22 2.118 -7.876 5.677 1.00 0.00 H new ATOM 0 HA ILE A 22 2.475 -10.299 7.056 1.00 0.00 H new ATOM 0 HB ILE A 22 0.056 -8.583 6.423 1.00 0.00 H new ATOM 0 HG12 ILE A 22 1.439 -9.154 9.062 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.885 -7.817 8.020 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -1.211 -9.940 8.043 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -0.718 -10.895 6.624 1.00 0.00 H new ATOM 0 HG23 ILE A 22 0.160 -11.069 8.163 1.00 0.00 H new ATOM 0 HD11 ILE A 22 0.380 -7.078 9.797 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -0.395 -6.894 8.205 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -0.848 -8.251 9.264 1.00 0.00 H new ATOM 343 N TYR A 23 1.068 -10.481 4.116 1.00 0.00 N ATOM 344 CA TYR A 23 0.550 -11.381 3.093 1.00 0.00 C ATOM 345 C TYR A 23 1.668 -11.904 2.201 1.00 0.00 C ATOM 346 O TYR A 23 1.413 -12.507 1.159 1.00 0.00 O ATOM 347 CB TYR A 23 -0.511 -10.674 2.246 1.00 0.00 C ATOM 348 CG TYR A 23 -1.746 -10.271 3.020 1.00 0.00 C ATOM 349 CD1 TYR A 23 -2.600 -11.229 3.546 1.00 0.00 C ATOM 350 CD2 TYR A 23 -2.055 -8.934 3.223 1.00 0.00 C ATOM 351 CE1 TYR A 23 -3.730 -10.867 4.254 1.00 0.00 C ATOM 352 CE2 TYR A 23 -3.182 -8.560 3.930 1.00 0.00 C ATOM 353 CZ TYR A 23 -4.018 -9.531 4.445 1.00 0.00 C ATOM 354 OH TYR A 23 -5.141 -9.165 5.148 1.00 0.00 O ATOM 0 H TYR A 23 1.222 -9.525 3.797 1.00 0.00 H new ATOM 0 HA TYR A 23 0.092 -12.231 3.598 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -0.069 -9.784 1.797 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -0.806 -11.331 1.428 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -2.378 -12.276 3.400 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -1.403 -8.172 2.822 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -4.385 -11.626 4.656 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -3.408 -7.514 4.079 1.00 0.00 H new ATOM 0 HH TYR A 23 -5.195 -8.187 5.192 1.00 0.00 H new ATOM 364 N GLY A 24 2.908 -11.668 2.617 1.00 0.00 N ATOM 365 CA GLY A 24 4.065 -12.231 1.931 1.00 0.00 C ATOM 366 C GLY A 24 4.343 -11.497 0.626 1.00 0.00 C ATOM 367 O GLY A 24 4.924 -12.060 -0.302 1.00 0.00 O ATOM 0 H GLY A 24 3.137 -11.091 3.426 1.00 0.00 H new ATOM 0 HA2 GLY A 24 4.940 -12.171 2.579 1.00 0.00 H new ATOM 0 HA3 GLY A 24 3.891 -13.288 1.727 1.00 0.00 H new ATOM 371 N ILE A 25 3.927 -10.237 0.561 1.00 0.00 N ATOM 372 CA ILE A 25 4.138 -9.420 -0.628 1.00 0.00 C ATOM 373 C ILE A 25 5.595 -8.993 -0.752 1.00 0.00 C ATOM 374 O ILE A 25 6.214 -8.573 0.227 1.00 0.00 O ATOM 375 CB ILE A 25 3.245 -8.167 -0.618 1.00 0.00 C ATOM 376 CG1 ILE A 25 1.766 -8.565 -0.622 1.00 0.00 C ATOM 377 CG2 ILE A 25 3.563 -7.277 -1.810 1.00 0.00 C ATOM 378 CD1 ILE A 25 1.336 -9.300 -1.870 1.00 0.00 C ATOM 0 H ILE A 25 3.441 -9.759 1.319 1.00 0.00 H new ATOM 0 HA ILE A 25 3.870 -10.038 -1.485 1.00 0.00 H new ATOM 0 HB ILE A 25 3.448 -7.605 0.293 1.00 0.00 H new ATOM 0 HG12 ILE A 25 1.566 -9.194 0.246 1.00 0.00 H new ATOM 0 HG13 ILE A 25 1.157 -7.667 -0.512 1.00 0.00 H new ATOM 0 HG21 ILE A 25 2.922 -6.396 -1.787 1.00 0.00 H new ATOM 0 HG22 ILE A 25 4.607 -6.968 -1.765 1.00 0.00 H new ATOM 0 HG23 ILE A 25 3.388 -7.829 -2.733 1.00 0.00 H new ATOM 0 HD11 ILE A 25 0.277 -9.548 -1.799 1.00 0.00 H new ATOM 0 HD12 ILE A 25 1.503 -8.666 -2.741 1.00 0.00 H new ATOM 0 HD13 ILE A 25 1.918 -10.216 -1.971 1.00 0.00 H new ATOM 390 N GLY A 26 6.139 -9.104 -1.958 1.00 0.00 N ATOM 391 CA GLY A 26 7.551 -8.828 -2.191 1.00 0.00 C ATOM 392 C GLY A 26 7.808 -7.331 -2.310 1.00 0.00 C ATOM 393 O GLY A 26 6.872 -6.534 -2.368 1.00 0.00 O ATOM 0 H GLY A 26 5.622 -9.384 -2.792 1.00 0.00 H new ATOM 0 HA2 GLY A 26 8.144 -9.237 -1.373 1.00 0.00 H new ATOM 0 HA3 GLY A 26 7.876 -9.329 -3.103 1.00 0.00 H new ATOM 397 N GLU A 27 9.083 -6.956 -2.345 1.00 0.00 N ATOM 398 CA GLU A 27 9.467 -5.550 -2.361 1.00 0.00 C ATOM 399 C GLU A 27 9.003 -4.867 -3.641 1.00 0.00 C ATOM 400 O GLU A 27 8.723 -3.668 -3.651 1.00 0.00 O ATOM 401 CB GLU A 27 10.982 -5.407 -2.206 1.00 0.00 C ATOM 402 CG GLU A 27 11.507 -5.745 -0.819 1.00 0.00 C ATOM 403 CD GLU A 27 13.008 -5.658 -0.767 1.00 0.00 C ATOM 404 OE1 GLU A 27 13.606 -5.416 -1.787 1.00 0.00 O ATOM 405 OE2 GLU A 27 13.549 -5.721 0.313 1.00 0.00 O ATOM 0 H GLU A 27 9.868 -7.607 -2.363 1.00 0.00 H new ATOM 0 HA GLU A 27 8.978 -5.061 -1.518 1.00 0.00 H new ATOM 0 HB2 GLU A 27 11.472 -6.054 -2.934 1.00 0.00 H new ATOM 0 HB3 GLU A 27 11.265 -4.383 -2.448 1.00 0.00 H new ATOM 0 HG2 GLU A 27 11.075 -5.062 -0.088 1.00 0.00 H new ATOM 0 HG3 GLU A 27 11.189 -6.750 -0.542 1.00 0.00 H new ATOM 412 N HIS A 28 8.926 -5.637 -4.721 1.00 0.00 N ATOM 413 CA HIS A 28 8.493 -5.108 -6.009 1.00 0.00 C ATOM 414 C HIS A 28 7.191 -4.329 -5.876 1.00 0.00 C ATOM 415 O HIS A 28 7.016 -3.282 -6.500 1.00 0.00 O ATOM 416 CB HIS A 28 8.325 -6.237 -7.030 1.00 0.00 C ATOM 417 CG HIS A 28 7.851 -5.771 -8.371 1.00 0.00 C ATOM 418 ND1 HIS A 28 8.686 -5.158 -9.282 1.00 0.00 N ATOM 419 CD2 HIS A 28 6.632 -5.827 -8.956 1.00 0.00 C ATOM 420 CE1 HIS A 28 7.998 -4.857 -10.371 1.00 0.00 C ATOM 421 NE2 HIS A 28 6.751 -5.253 -10.197 1.00 0.00 N ATOM 0 H HIS A 28 9.158 -6.630 -4.730 1.00 0.00 H new ATOM 0 HA HIS A 28 9.267 -4.426 -6.361 1.00 0.00 H new ATOM 0 HB2 HIS A 28 9.279 -6.751 -7.150 1.00 0.00 H new ATOM 0 HB3 HIS A 28 7.617 -6.967 -6.638 1.00 0.00 H new ATOM 0 HD2 HIS A 28 5.734 -6.245 -8.527 1.00 0.00 H new ATOM 0 HE1 HIS A 28 8.390 -4.370 -11.252 1.00 0.00 H new ATOM 0 HE2 HIS A 28 5.997 -5.149 -10.876 1.00 0.00 H new ATOM 428 N TYR A 29 6.280 -4.845 -5.058 1.00 0.00 N ATOM 429 CA TYR A 29 4.963 -4.239 -4.898 1.00 0.00 C ATOM 430 C TYR A 29 4.935 -3.287 -3.709 1.00 0.00 C ATOM 431 O TYR A 29 4.194 -2.305 -3.705 1.00 0.00 O ATOM 432 CB TYR A 29 3.894 -5.321 -4.730 1.00 0.00 C ATOM 433 CG TYR A 29 3.758 -6.240 -5.923 1.00 0.00 C ATOM 434 CD1 TYR A 29 3.023 -5.860 -7.034 1.00 0.00 C ATOM 435 CD2 TYR A 29 4.365 -7.488 -5.933 1.00 0.00 C ATOM 436 CE1 TYR A 29 2.895 -6.695 -8.127 1.00 0.00 C ATOM 437 CE2 TYR A 29 4.245 -8.332 -7.021 1.00 0.00 C ATOM 438 CZ TYR A 29 3.509 -7.931 -8.117 1.00 0.00 C ATOM 439 OH TYR A 29 3.384 -8.767 -9.202 1.00 0.00 O ATOM 0 H TYR A 29 6.430 -5.682 -4.495 1.00 0.00 H new ATOM 0 HA TYR A 29 4.748 -3.665 -5.799 1.00 0.00 H new ATOM 0 HB2 TYR A 29 4.131 -5.918 -3.849 1.00 0.00 H new ATOM 0 HB3 TYR A 29 2.933 -4.842 -4.541 1.00 0.00 H new ATOM 0 HD1 TYR A 29 2.541 -4.893 -7.046 1.00 0.00 H new ATOM 0 HD2 TYR A 29 4.941 -7.805 -5.076 1.00 0.00 H new ATOM 0 HE1 TYR A 29 2.318 -6.382 -8.985 1.00 0.00 H new ATOM 0 HE2 TYR A 29 4.725 -9.300 -7.013 1.00 0.00 H new ATOM 0 HH TYR A 29 3.877 -9.597 -9.034 1.00 0.00 H new ATOM 449 N ILE A 30 5.748 -3.585 -2.700 1.00 0.00 N ATOM 450 CA ILE A 30 5.890 -2.705 -1.547 1.00 0.00 C ATOM 451 C ILE A 30 6.393 -1.328 -1.962 1.00 0.00 C ATOM 452 O ILE A 30 6.011 -0.314 -1.379 1.00 0.00 O ATOM 453 CB ILE A 30 6.852 -3.298 -0.500 1.00 0.00 C ATOM 454 CG1 ILE A 30 6.225 -4.526 0.165 1.00 0.00 C ATOM 455 CG2 ILE A 30 7.213 -2.251 0.542 1.00 0.00 C ATOM 456 CD1 ILE A 30 7.197 -5.334 0.995 1.00 0.00 C ATOM 0 H ILE A 30 6.318 -4.430 -2.658 1.00 0.00 H new ATOM 0 HA ILE A 30 4.899 -2.607 -1.103 1.00 0.00 H new ATOM 0 HB ILE A 30 7.766 -3.609 -1.005 1.00 0.00 H new ATOM 0 HG12 ILE A 30 5.401 -4.202 0.801 1.00 0.00 H new ATOM 0 HG13 ILE A 30 5.800 -5.168 -0.606 1.00 0.00 H new ATOM 0 HG21 ILE A 30 7.893 -2.686 1.274 1.00 0.00 H new ATOM 0 HG22 ILE A 30 7.697 -1.405 0.055 1.00 0.00 H new ATOM 0 HG23 ILE A 30 6.308 -1.911 1.045 1.00 0.00 H new ATOM 0 HD11 ILE A 30 6.679 -6.187 1.434 1.00 0.00 H new ATOM 0 HD12 ILE A 30 8.009 -5.689 0.361 1.00 0.00 H new ATOM 0 HD13 ILE A 30 7.604 -4.709 1.790 1.00 0.00 H new ATOM 468 N LYS A 31 7.253 -1.300 -2.975 1.00 0.00 N ATOM 469 CA LYS A 31 7.817 -0.047 -3.466 1.00 0.00 C ATOM 470 C LYS A 31 6.744 0.826 -4.104 1.00 0.00 C ATOM 471 O LYS A 31 6.842 2.053 -4.094 1.00 0.00 O ATOM 472 CB LYS A 31 8.937 -0.322 -4.470 1.00 0.00 C ATOM 473 CG LYS A 31 10.222 -0.854 -3.850 1.00 0.00 C ATOM 474 CD LYS A 31 11.263 -1.168 -4.915 1.00 0.00 C ATOM 475 CE LYS A 31 12.541 -1.712 -4.296 1.00 0.00 C ATOM 476 NZ LYS A 31 13.565 -2.033 -5.327 1.00 0.00 N ATOM 0 H LYS A 31 7.575 -2.131 -3.472 1.00 0.00 H new ATOM 0 HA LYS A 31 8.231 0.490 -2.613 1.00 0.00 H new ATOM 0 HB2 LYS A 31 8.579 -1.041 -5.207 1.00 0.00 H new ATOM 0 HB3 LYS A 31 9.162 0.600 -5.007 1.00 0.00 H new ATOM 0 HG2 LYS A 31 10.623 -0.119 -3.153 1.00 0.00 H new ATOM 0 HG3 LYS A 31 10.005 -1.754 -3.275 1.00 0.00 H new ATOM 0 HD2 LYS A 31 10.859 -1.896 -5.618 1.00 0.00 H new ATOM 0 HD3 LYS A 31 11.488 -0.266 -5.484 1.00 0.00 H new ATOM 0 HE2 LYS A 31 12.946 -0.980 -3.598 1.00 0.00 H new ATOM 0 HE3 LYS A 31 12.312 -2.609 -3.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 14.420 -2.401 -4.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 13.188 -2.751 -5.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 13.803 -1.172 -5.860 1.00 0.00 H new ATOM 490 N LEU A 32 5.720 0.186 -4.659 1.00 0.00 N ATOM 491 CA LEU A 32 4.626 0.904 -5.303 1.00 0.00 C ATOM 492 C LEU A 32 3.893 1.796 -4.309 1.00 0.00 C ATOM 493 O LEU A 32 3.506 2.919 -4.635 1.00 0.00 O ATOM 494 CB LEU A 32 3.651 -0.086 -5.952 1.00 0.00 C ATOM 495 CG LEU A 32 4.228 -0.903 -7.114 1.00 0.00 C ATOM 496 CD1 LEU A 32 3.223 -1.956 -7.562 1.00 0.00 C ATOM 497 CD2 LEU A 32 4.584 0.027 -8.263 1.00 0.00 C ATOM 0 H LEU A 32 5.625 -0.829 -4.676 1.00 0.00 H new ATOM 0 HA LEU A 32 5.050 1.542 -6.078 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.294 -0.775 -5.186 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.783 0.467 -6.313 1.00 0.00 H new ATOM 0 HG LEU A 32 5.133 -1.414 -6.785 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.642 -2.531 -8.388 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.001 -2.624 -6.730 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.305 -1.467 -7.889 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.994 -0.555 -9.088 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.689 0.551 -8.598 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.325 0.753 -7.928 1.00 0.00 H new ATOM 509 N ILE A 33 3.704 1.291 -3.095 1.00 0.00 N ATOM 510 CA ILE A 33 3.113 2.079 -2.021 1.00 0.00 C ATOM 511 C ILE A 33 4.013 3.244 -1.630 1.00 0.00 C ATOM 512 O ILE A 33 3.542 4.360 -1.416 1.00 0.00 O ATOM 513 CB ILE A 33 2.835 1.218 -0.775 1.00 0.00 C ATOM 514 CG1 ILE A 33 1.785 0.148 -1.088 1.00 0.00 C ATOM 515 CG2 ILE A 33 2.381 2.090 0.385 1.00 0.00 C ATOM 516 CD1 ILE A 33 0.442 0.711 -1.493 1.00 0.00 C ATOM 0 H ILE A 33 3.952 0.338 -2.830 1.00 0.00 H new ATOM 0 HA ILE A 33 2.168 2.467 -2.402 1.00 0.00 H new ATOM 0 HB ILE A 33 3.760 0.719 -0.487 1.00 0.00 H new ATOM 0 HG12 ILE A 33 2.158 -0.490 -1.889 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.653 -0.486 -0.211 1.00 0.00 H new ATOM 0 HG21 ILE A 33 2.189 1.465 1.257 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.160 2.814 0.622 1.00 0.00 H new ATOM 0 HG23 ILE A 33 1.468 2.617 0.108 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.248 -0.107 -1.699 1.00 0.00 H new ATOM 0 HD12 ILE A 33 0.046 1.325 -0.684 1.00 0.00 H new ATOM 0 HD13 ILE A 33 0.558 1.321 -2.389 1.00 0.00 H new ATOM 528 N GLU A 34 5.312 2.976 -1.542 1.00 0.00 N ATOM 529 CA GLU A 34 6.282 4.001 -1.172 1.00 0.00 C ATOM 530 C GLU A 34 6.332 5.112 -2.212 1.00 0.00 C ATOM 531 O GLU A 34 6.615 6.266 -1.889 1.00 0.00 O ATOM 532 CB GLU A 34 7.670 3.384 -0.993 1.00 0.00 C ATOM 533 CG GLU A 34 7.803 2.474 0.220 1.00 0.00 C ATOM 534 CD GLU A 34 9.163 1.835 0.277 1.00 0.00 C ATOM 535 OE1 GLU A 34 9.933 2.039 -0.630 1.00 0.00 O ATOM 536 OE2 GLU A 34 9.473 1.234 1.279 1.00 0.00 O ATOM 0 H GLU A 34 5.717 2.057 -1.722 1.00 0.00 H new ATOM 0 HA GLU A 34 5.964 4.436 -0.225 1.00 0.00 H new ATOM 0 HB2 GLU A 34 7.919 2.814 -1.888 1.00 0.00 H new ATOM 0 HB3 GLU A 34 8.403 4.187 -0.912 1.00 0.00 H new ATOM 0 HG2 GLU A 34 7.631 3.049 1.130 1.00 0.00 H new ATOM 0 HG3 GLU A 34 7.036 1.700 0.182 1.00 0.00 H new ATOM 543 N LYS A 35 6.055 4.758 -3.463 1.00 0.00 N ATOM 544 CA LYS A 35 6.118 5.715 -4.562 1.00 0.00 C ATOM 545 C LYS A 35 4.748 6.313 -4.849 1.00 0.00 C ATOM 546 O LYS A 35 4.577 7.066 -5.809 1.00 0.00 O ATOM 547 CB LYS A 35 6.675 5.048 -5.820 1.00 0.00 C ATOM 548 CG LYS A 35 8.129 4.607 -5.707 1.00 0.00 C ATOM 549 CD LYS A 35 8.635 4.029 -7.021 1.00 0.00 C ATOM 550 CE LYS A 35 10.072 3.542 -6.894 1.00 0.00 C ATOM 551 NZ LYS A 35 10.593 3.011 -8.182 1.00 0.00 N ATOM 0 H LYS A 35 5.785 3.815 -3.741 1.00 0.00 H new ATOM 0 HA LYS A 35 6.787 6.523 -4.264 1.00 0.00 H new ATOM 0 HB2 LYS A 35 6.062 4.179 -6.058 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.582 5.742 -6.656 1.00 0.00 H new ATOM 0 HG2 LYS A 35 8.748 5.457 -5.419 1.00 0.00 H new ATOM 0 HG3 LYS A 35 8.225 3.861 -4.918 1.00 0.00 H new ATOM 0 HD2 LYS A 35 7.994 3.202 -7.328 1.00 0.00 H new ATOM 0 HD3 LYS A 35 8.573 4.787 -7.802 1.00 0.00 H new ATOM 0 HE2 LYS A 35 10.705 4.363 -6.557 1.00 0.00 H new ATOM 0 HE3 LYS A 35 10.126 2.764 -6.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 11.574 2.690 -8.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 10.004 2.211 -8.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 10.566 3.760 -8.903 1.00 0.00 H new ATOM 565 N ALA A 36 3.772 5.975 -4.013 1.00 0.00 N ATOM 566 CA ALA A 36 2.417 6.492 -4.168 1.00 0.00 C ATOM 567 C ALA A 36 2.375 8.000 -3.958 1.00 0.00 C ATOM 568 O ALA A 36 3.113 8.543 -3.136 1.00 0.00 O ATOM 569 CB ALA A 36 1.470 5.792 -3.203 1.00 0.00 C ATOM 0 H ALA A 36 3.894 5.345 -3.220 1.00 0.00 H new ATOM 0 HA ALA A 36 2.092 6.288 -5.188 1.00 0.00 H new ATOM 0 HB1 ALA A 36 0.463 6.188 -3.330 1.00 0.00 H new ATOM 0 HB2 ALA A 36 1.467 4.721 -3.408 1.00 0.00 H new ATOM 0 HB3 ALA A 36 1.801 5.964 -2.179 1.00 0.00 H new ATOM 575 N LYS A 37 1.506 8.672 -4.706 1.00 0.00 N ATOM 576 CA LYS A 37 1.446 10.128 -4.689 1.00 0.00 C ATOM 577 C LYS A 37 0.530 10.629 -3.579 1.00 0.00 C ATOM 578 O LYS A 37 0.691 11.744 -3.083 1.00 0.00 O ATOM 579 CB LYS A 37 0.972 10.662 -6.042 1.00 0.00 C ATOM 580 CG LYS A 37 1.934 10.399 -7.192 1.00 0.00 C ATOM 581 CD LYS A 37 1.407 10.982 -8.497 1.00 0.00 C ATOM 582 CE LYS A 37 2.370 10.723 -9.647 1.00 0.00 C ATOM 583 NZ LYS A 37 1.866 11.284 -10.930 1.00 0.00 N ATOM 0 H LYS A 37 0.833 8.230 -5.332 1.00 0.00 H new ATOM 0 HA LYS A 37 2.452 10.500 -4.495 1.00 0.00 H new ATOM 0 HB2 LYS A 37 0.008 10.211 -6.280 1.00 0.00 H new ATOM 0 HB3 LYS A 37 0.809 11.737 -5.958 1.00 0.00 H new ATOM 0 HG2 LYS A 37 2.906 10.835 -6.963 1.00 0.00 H new ATOM 0 HG3 LYS A 37 2.085 9.325 -7.305 1.00 0.00 H new ATOM 0 HD2 LYS A 37 0.436 10.544 -8.727 1.00 0.00 H new ATOM 0 HD3 LYS A 37 1.254 12.055 -8.383 1.00 0.00 H new ATOM 0 HE2 LYS A 37 3.340 11.163 -9.414 1.00 0.00 H new ATOM 0 HE3 LYS A 37 2.525 9.650 -9.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 2.550 11.087 -11.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 0.953 10.846 -11.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 1.742 12.312 -10.835 1.00 0.00 H new ATOM 597 N GLN A 38 -0.430 9.796 -3.191 1.00 0.00 N ATOM 598 CA GLN A 38 -1.440 10.192 -2.218 1.00 0.00 C ATOM 599 C GLN A 38 -2.016 8.979 -1.496 1.00 0.00 C ATOM 600 O GLN A 38 -1.836 7.843 -1.933 1.00 0.00 O ATOM 601 CB GLN A 38 -2.569 10.968 -2.902 1.00 0.00 C ATOM 602 CG GLN A 38 -3.330 10.171 -3.945 1.00 0.00 C ATOM 603 CD GLN A 38 -4.342 11.015 -4.696 1.00 0.00 C ATOM 604 OE1 GLN A 38 -4.458 12.221 -4.463 1.00 0.00 O ATOM 605 NE2 GLN A 38 -5.083 10.385 -5.600 1.00 0.00 N ATOM 0 H GLN A 38 -0.529 8.841 -3.536 1.00 0.00 H new ATOM 0 HA GLN A 38 -0.956 10.835 -1.483 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -3.270 11.313 -2.142 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -2.150 11.856 -3.375 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -2.624 9.739 -4.654 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -3.843 9.340 -3.460 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -4.953 9.386 -5.760 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -5.782 10.900 -6.135 1.00 0.00 H new ATOM 614 N VAL A 39 -2.706 9.229 -0.389 1.00 0.00 N ATOM 615 CA VAL A 39 -3.256 8.154 0.429 1.00 0.00 C ATOM 616 C VAL A 39 -4.248 7.311 -0.362 1.00 0.00 C ATOM 617 O VAL A 39 -4.320 6.095 -0.190 1.00 0.00 O ATOM 618 CB VAL A 39 -3.953 8.703 1.688 1.00 0.00 C ATOM 619 CG1 VAL A 39 -4.676 7.586 2.427 1.00 0.00 C ATOM 620 CG2 VAL A 39 -2.944 9.378 2.604 1.00 0.00 C ATOM 0 H VAL A 39 -2.898 10.167 -0.037 1.00 0.00 H new ATOM 0 HA VAL A 39 -2.416 7.530 0.733 1.00 0.00 H new ATOM 0 HB VAL A 39 -4.689 9.445 1.378 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -5.163 7.992 3.314 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -5.426 7.143 1.772 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.958 6.822 2.725 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -3.454 9.760 3.488 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.186 8.655 2.906 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -2.468 10.203 2.075 1.00 0.00 H new ATOM 630 N ALA A 40 -5.013 7.966 -1.229 1.00 0.00 N ATOM 631 CA ALA A 40 -5.942 7.268 -2.111 1.00 0.00 C ATOM 632 C ALA A 40 -5.212 6.263 -2.993 1.00 0.00 C ATOM 633 O ALA A 40 -5.685 5.145 -3.198 1.00 0.00 O ATOM 634 CB ALA A 40 -6.713 8.265 -2.964 1.00 0.00 C ATOM 0 H ALA A 40 -5.008 8.980 -1.340 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.649 6.718 -1.490 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -7.402 7.729 -3.617 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -7.275 8.939 -2.317 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.014 8.842 -3.570 1.00 0.00 H new ATOM 640 N ALA A 41 -4.058 6.667 -3.514 1.00 0.00 N ATOM 641 CA ALA A 41 -3.220 5.773 -4.304 1.00 0.00 C ATOM 642 C ALA A 41 -2.676 4.634 -3.454 1.00 0.00 C ATOM 643 O ALA A 41 -2.568 3.498 -3.917 1.00 0.00 O ATOM 644 CB ALA A 41 -2.081 6.549 -4.950 1.00 0.00 C ATOM 0 H ALA A 41 -3.682 7.609 -3.403 1.00 0.00 H new ATOM 0 HA ALA A 41 -3.837 5.338 -5.090 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -1.464 5.868 -5.537 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -2.490 7.321 -5.602 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -1.472 7.014 -4.175 1.00 0.00 H new ATOM 650 N VAL A 42 -2.333 4.942 -2.208 1.00 0.00 N ATOM 651 CA VAL A 42 -1.854 3.932 -1.272 1.00 0.00 C ATOM 652 C VAL A 42 -2.891 2.836 -1.066 1.00 0.00 C ATOM 653 O VAL A 42 -2.567 1.648 -1.091 1.00 0.00 O ATOM 654 CB VAL A 42 -1.496 4.550 0.093 1.00 0.00 C ATOM 655 CG1 VAL A 42 -1.227 3.459 1.117 1.00 0.00 C ATOM 656 CG2 VAL A 42 -0.289 5.466 -0.037 1.00 0.00 C ATOM 0 H VAL A 42 -2.378 5.885 -1.822 1.00 0.00 H new ATOM 0 HA VAL A 42 -0.955 3.499 -1.711 1.00 0.00 H new ATOM 0 HB VAL A 42 -2.344 5.143 0.435 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -0.976 3.913 2.075 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -2.117 2.840 1.231 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -0.395 2.840 0.780 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.050 5.894 0.937 1.00 0.00 H new ATOM 0 HG22 VAL A 42 0.564 4.894 -0.401 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -0.515 6.268 -0.740 1.00 0.00 H new ATOM 666 N GLU A 43 -4.140 3.241 -0.862 1.00 0.00 N ATOM 667 CA GLU A 43 -5.224 2.295 -0.630 1.00 0.00 C ATOM 668 C GLU A 43 -5.524 1.483 -1.884 1.00 0.00 C ATOM 669 O GLU A 43 -5.707 0.268 -1.821 1.00 0.00 O ATOM 670 CB GLU A 43 -6.485 3.027 -0.165 1.00 0.00 C ATOM 671 CG GLU A 43 -6.386 3.621 1.233 1.00 0.00 C ATOM 672 CD GLU A 43 -7.608 4.430 1.571 1.00 0.00 C ATOM 673 OE1 GLU A 43 -8.456 4.571 0.723 1.00 0.00 O ATOM 674 OE2 GLU A 43 -7.747 4.812 2.709 1.00 0.00 O ATOM 0 H GLU A 43 -4.426 4.220 -0.853 1.00 0.00 H new ATOM 0 HA GLU A 43 -4.904 1.608 0.154 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -6.708 3.826 -0.872 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -7.325 2.333 -0.193 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -6.264 2.821 1.963 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -5.500 4.252 1.300 1.00 0.00 H new ATOM 681 N ASP A 44 -5.573 2.163 -3.025 1.00 0.00 N ATOM 682 CA ASP A 44 -5.878 1.511 -4.293 1.00 0.00 C ATOM 683 C ASP A 44 -4.785 0.524 -4.682 1.00 0.00 C ATOM 684 O ASP A 44 -5.069 -0.587 -5.131 1.00 0.00 O ATOM 685 CB ASP A 44 -6.065 2.552 -5.400 1.00 0.00 C ATOM 686 CG ASP A 44 -7.365 3.339 -5.311 1.00 0.00 C ATOM 687 OD1 ASP A 44 -8.226 2.942 -4.562 1.00 0.00 O ATOM 688 OD2 ASP A 44 -7.428 4.408 -5.868 1.00 0.00 O ATOM 0 H ASP A 44 -5.405 3.167 -3.097 1.00 0.00 H new ATOM 0 HA ASP A 44 -6.808 0.957 -4.167 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -5.229 3.251 -5.370 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -6.025 2.048 -6.366 1.00 0.00 H new ATOM 693 N LEU A 45 -3.534 0.935 -4.507 1.00 0.00 N ATOM 694 CA LEU A 45 -2.395 0.091 -4.848 1.00 0.00 C ATOM 695 C LEU A 45 -2.365 -1.167 -3.988 1.00 0.00 C ATOM 696 O LEU A 45 -2.208 -2.276 -4.498 1.00 0.00 O ATOM 697 CB LEU A 45 -1.087 0.876 -4.691 1.00 0.00 C ATOM 698 CG LEU A 45 -0.810 1.909 -5.790 1.00 0.00 C ATOM 699 CD1 LEU A 45 0.369 2.788 -5.396 1.00 0.00 C ATOM 700 CD2 LEU A 45 -0.534 1.193 -7.104 1.00 0.00 C ATOM 0 H LEU A 45 -3.283 1.849 -4.130 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.501 -0.216 -5.889 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.102 1.388 -3.729 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.258 0.168 -4.662 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.684 2.548 -5.916 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.558 3.518 -6.183 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.140 3.308 -4.466 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.255 2.168 -5.257 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.337 1.928 -7.885 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.334 0.544 -6.989 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -1.401 0.593 -7.381 1.00 0.00 H new ATOM 712 N LYS A 46 -2.516 -0.986 -2.680 1.00 0.00 N ATOM 713 CA LYS A 46 -2.505 -2.106 -1.746 1.00 0.00 C ATOM 714 C LYS A 46 -3.509 -3.176 -2.156 1.00 0.00 C ATOM 715 O LYS A 46 -3.184 -4.361 -2.199 1.00 0.00 O ATOM 716 CB LYS A 46 -2.803 -1.621 -0.326 1.00 0.00 C ATOM 717 CG LYS A 46 -2.635 -2.687 0.750 1.00 0.00 C ATOM 718 CD LYS A 46 -2.920 -2.124 2.134 1.00 0.00 C ATOM 719 CE LYS A 46 -4.413 -2.102 2.428 1.00 0.00 C ATOM 720 NZ LYS A 46 -4.700 -1.658 3.819 1.00 0.00 N ATOM 0 H LYS A 46 -2.647 -0.074 -2.243 1.00 0.00 H new ATOM 0 HA LYS A 46 -1.509 -2.548 -1.768 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.146 -0.783 -0.096 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -3.825 -1.244 -0.291 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -3.308 -3.520 0.548 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -1.620 -3.083 0.718 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -2.409 -2.725 2.885 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.518 -1.113 2.207 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -4.911 -1.435 1.724 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -4.828 -3.098 2.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -5.718 -1.754 4.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -4.164 -2.246 4.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -4.419 -0.663 3.931 1.00 0.00 H new ATOM 734 N ASP A 47 -4.731 -2.748 -2.457 1.00 0.00 N ATOM 735 CA ASP A 47 -5.784 -3.668 -2.869 1.00 0.00 C ATOM 736 C ASP A 47 -5.399 -4.413 -4.141 1.00 0.00 C ATOM 737 O ASP A 47 -5.503 -5.637 -4.210 1.00 0.00 O ATOM 738 CB ASP A 47 -7.102 -2.918 -3.078 1.00 0.00 C ATOM 739 CG ASP A 47 -7.774 -2.457 -1.792 1.00 0.00 C ATOM 740 OD1 ASP A 47 -7.373 -2.903 -0.742 1.00 0.00 O ATOM 741 OD2 ASP A 47 -8.571 -1.552 -1.853 1.00 0.00 O ATOM 0 H ASP A 47 -5.016 -1.769 -2.423 1.00 0.00 H new ATOM 0 HA ASP A 47 -5.916 -4.400 -2.072 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -6.915 -2.048 -3.708 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -7.791 -3.564 -3.622 1.00 0.00 H new ATOM 746 N GLU A 48 -4.954 -3.667 -5.146 1.00 0.00 N ATOM 747 CA GLU A 48 -4.610 -4.248 -6.438 1.00 0.00 C ATOM 748 C GLU A 48 -3.419 -5.191 -6.319 1.00 0.00 C ATOM 749 O GLU A 48 -3.332 -6.188 -7.035 1.00 0.00 O ATOM 750 CB GLU A 48 -4.309 -3.147 -7.458 1.00 0.00 C ATOM 751 CG GLU A 48 -5.517 -2.306 -7.850 1.00 0.00 C ATOM 752 CD GLU A 48 -6.621 -3.163 -8.401 1.00 0.00 C ATOM 753 OE1 GLU A 48 -6.355 -3.957 -9.270 1.00 0.00 O ATOM 754 OE2 GLU A 48 -7.710 -3.104 -7.877 1.00 0.00 O ATOM 0 H GLU A 48 -4.823 -2.657 -5.090 1.00 0.00 H new ATOM 0 HA GLU A 48 -5.468 -4.825 -6.783 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -3.541 -2.490 -7.049 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.893 -3.604 -8.356 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -5.879 -1.757 -6.980 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -5.222 -1.566 -8.594 1.00 0.00 H new ATOM 761 N ILE A 49 -2.505 -4.868 -5.411 1.00 0.00 N ATOM 762 CA ILE A 49 -1.354 -5.723 -5.146 1.00 0.00 C ATOM 763 C ILE A 49 -1.785 -7.061 -4.561 1.00 0.00 C ATOM 764 O ILE A 49 -1.284 -8.114 -4.958 1.00 0.00 O ATOM 765 CB ILE A 49 -0.359 -5.049 -4.185 1.00 0.00 C ATOM 766 CG1 ILE A 49 0.330 -3.866 -4.871 1.00 0.00 C ATOM 767 CG2 ILE A 49 0.670 -6.055 -3.692 1.00 0.00 C ATOM 768 CD1 ILE A 49 1.036 -2.932 -3.915 1.00 0.00 C ATOM 0 H ILE A 49 -2.539 -4.020 -4.846 1.00 0.00 H new ATOM 0 HA ILE A 49 -0.861 -5.892 -6.103 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.911 -4.673 -3.324 1.00 0.00 H new ATOM 0 HG12 ILE A 49 1.053 -4.247 -5.592 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -0.413 -3.301 -5.433 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.366 -5.561 -3.014 1.00 0.00 H new ATOM 0 HG22 ILE A 49 0.164 -6.865 -3.167 1.00 0.00 H new ATOM 0 HG23 ILE A 49 1.219 -6.461 -4.542 1.00 0.00 H new ATOM 0 HD11 ILE A 49 1.499 -2.120 -4.475 1.00 0.00 H new ATOM 0 HD12 ILE A 49 0.315 -2.520 -3.209 1.00 0.00 H new ATOM 0 HD13 ILE A 49 1.804 -3.481 -3.370 1.00 0.00 H new ATOM 780 N LEU A 50 -2.716 -7.015 -3.614 1.00 0.00 N ATOM 781 CA LEU A 50 -3.198 -8.222 -2.954 1.00 0.00 C ATOM 782 C LEU A 50 -4.091 -9.038 -3.880 1.00 0.00 C ATOM 783 O LEU A 50 -4.219 -10.253 -3.724 1.00 0.00 O ATOM 784 CB LEU A 50 -3.952 -7.859 -1.668 1.00 0.00 C ATOM 785 CG LEU A 50 -3.094 -7.229 -0.564 1.00 0.00 C ATOM 786 CD1 LEU A 50 -3.971 -6.833 0.616 1.00 0.00 C ATOM 787 CD2 LEU A 50 -2.020 -8.215 -0.130 1.00 0.00 C ATOM 0 H LEU A 50 -3.152 -6.153 -3.286 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.334 -8.834 -2.697 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.756 -7.168 -1.920 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.419 -8.761 -1.273 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.611 -6.330 -0.947 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.353 -6.387 1.395 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.719 -6.111 0.288 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.470 -7.718 1.011 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.410 -7.767 0.655 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.491 -9.122 0.250 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.388 -8.464 -0.983 1.00 0.00 H new ATOM 799 N LYS A 51 -4.708 -8.363 -4.844 1.00 0.00 N ATOM 800 CA LYS A 51 -5.450 -9.041 -5.900 1.00 0.00 C ATOM 801 C LYS A 51 -4.519 -9.834 -6.807 1.00 0.00 C ATOM 802 O LYS A 51 -4.815 -10.969 -7.177 1.00 0.00 O ATOM 803 CB LYS A 51 -6.253 -8.032 -6.723 1.00 0.00 C ATOM 804 CG LYS A 51 -7.456 -7.444 -5.997 1.00 0.00 C ATOM 805 CD LYS A 51 -8.169 -6.409 -6.855 1.00 0.00 C ATOM 806 CE LYS A 51 -9.258 -5.694 -6.071 1.00 0.00 C ATOM 807 NZ LYS A 51 -9.940 -4.652 -6.887 1.00 0.00 N ATOM 0 H LYS A 51 -4.709 -7.346 -4.916 1.00 0.00 H new ATOM 0 HA LYS A 51 -6.139 -9.740 -5.426 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -5.592 -7.219 -7.024 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -6.597 -8.518 -7.636 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -8.150 -8.242 -5.734 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -7.131 -6.984 -5.064 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -7.447 -5.681 -7.225 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -8.606 -6.896 -7.727 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -9.992 -6.421 -5.725 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -8.823 -5.233 -5.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -10.591 -4.110 -6.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -9.230 -4.011 -7.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -10.476 -5.107 -7.653 1.00 0.00 H new ATOM 821 N ALA A 52 -3.391 -9.227 -7.163 1.00 0.00 N ATOM 822 CA ALA A 52 -2.373 -9.907 -7.954 1.00 0.00 C ATOM 823 C ALA A 52 -1.771 -11.080 -7.188 1.00 0.00 C ATOM 824 O ALA A 52 -1.428 -12.105 -7.775 1.00 0.00 O ATOM 825 CB ALA A 52 -1.285 -8.929 -8.371 1.00 0.00 C ATOM 0 H ALA A 52 -3.159 -8.265 -6.916 1.00 0.00 H new ATOM 0 HA ALA A 52 -2.851 -10.302 -8.850 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -0.532 -9.452 -8.961 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -1.724 -8.130 -8.969 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -0.818 -8.503 -7.483 1.00 0.00 H new ATOM 831 N HIS A 53 -1.647 -10.920 -5.875 1.00 0.00 N ATOM 832 CA HIS A 53 -1.182 -12.000 -5.013 1.00 0.00 C ATOM 833 C HIS A 53 -2.165 -13.164 -5.008 1.00 0.00 C ATOM 834 O HIS A 53 -1.772 -14.321 -5.158 1.00 0.00 O ATOM 835 CB HIS A 53 -0.961 -11.494 -3.583 1.00 0.00 C ATOM 836 CG HIS A 53 -0.510 -12.560 -2.633 1.00 0.00 C ATOM 837 ND1 HIS A 53 0.761 -13.092 -2.661 1.00 0.00 N ATOM 838 CD2 HIS A 53 -1.161 -13.190 -1.627 1.00 0.00 C ATOM 839 CE1 HIS A 53 0.874 -14.006 -1.712 1.00 0.00 C ATOM 840 NE2 HIS A 53 -0.278 -14.085 -1.072 1.00 0.00 N ATOM 0 H HIS A 53 -1.862 -10.052 -5.384 1.00 0.00 H new ATOM 0 HA HIS A 53 -0.232 -12.355 -5.413 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -0.219 -10.696 -3.600 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -1.889 -11.058 -3.213 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -2.182 -13.021 -1.319 1.00 0.00 H new ATOM 0 HE1 HIS A 53 1.758 -14.588 -1.497 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -0.480 -14.710 -0.291 1.00 0.00 H new ATOM 847 N ASP A 54 -3.444 -12.850 -4.835 1.00 0.00 N ATOM 848 CA ASP A 54 -4.483 -13.872 -4.779 1.00 0.00 C ATOM 849 C ASP A 54 -4.782 -14.431 -6.163 1.00 0.00 C ATOM 850 O ASP A 54 -5.410 -15.481 -6.298 1.00 0.00 O ATOM 851 CB ASP A 54 -5.760 -13.305 -4.153 1.00 0.00 C ATOM 852 CG ASP A 54 -5.669 -13.058 -2.653 1.00 0.00 C ATOM 853 OD1 ASP A 54 -4.741 -13.539 -2.047 1.00 0.00 O ATOM 854 OD2 ASP A 54 -6.434 -12.267 -2.155 1.00 0.00 O ATOM 0 H ASP A 54 -3.787 -11.895 -4.731 1.00 0.00 H new ATOM 0 HA ASP A 54 -4.115 -14.687 -4.155 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -6.008 -12.367 -4.649 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -6.582 -13.994 -4.346 1.00 0.00 H new ATOM 859 N ARG A 55 -4.330 -13.721 -7.192 1.00 0.00 N ATOM 860 CA ARG A 55 -4.483 -14.183 -8.567 1.00 0.00 C ATOM 861 C ARG A 55 -3.430 -15.226 -8.918 1.00 0.00 C ATOM 862 O ARG A 55 -2.237 -14.927 -8.966 1.00 0.00 O ATOM 863 CB ARG A 55 -4.479 -13.032 -9.562 1.00 0.00 C ATOM 864 CG ARG A 55 -4.695 -13.439 -11.011 1.00 0.00 C ATOM 865 CD ARG A 55 -4.728 -12.303 -11.968 1.00 0.00 C ATOM 866 NE ARG A 55 -4.901 -12.691 -13.358 1.00 0.00 N ATOM 867 CZ ARG A 55 -4.728 -11.867 -14.410 1.00 0.00 C ATOM 868 NH1 ARG A 55 -4.415 -10.603 -14.235 1.00 0.00 N ATOM 869 NH2 ARG A 55 -4.906 -12.358 -15.625 1.00 0.00 N ATOM 0 H ARG A 55 -3.855 -12.823 -7.100 1.00 0.00 H new ATOM 0 HA ARG A 55 -5.461 -14.659 -8.638 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -5.257 -12.323 -9.279 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -3.527 -12.507 -9.485 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -3.900 -14.124 -11.306 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -5.633 -13.989 -11.086 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -5.540 -11.632 -11.688 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -3.800 -11.738 -11.874 1.00 0.00 H new ATOM 0 HE ARG A 55 -5.173 -13.655 -13.551 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -4.299 -10.232 -13.292 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -4.288 -9.993 -15.042 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -5.167 -13.336 -15.746 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -4.782 -11.758 -16.441 1.00 0.00 H new ATOM 883 N PHE A 56 -3.879 -16.453 -9.163 1.00 0.00 N ATOM 884 CA PHE A 56 -2.979 -17.539 -9.533 1.00 0.00 C ATOM 885 C PHE A 56 -3.318 -18.088 -10.913 1.00 0.00 C ATOM 886 O PHE A 56 -2.948 -17.511 -11.897 1.00 0.00 O ATOM 887 CB PHE A 56 -3.034 -18.658 -8.492 1.00 0.00 C ATOM 888 CG PHE A 56 -2.565 -18.240 -7.128 1.00 0.00 C ATOM 889 CD1 PHE A 56 -1.213 -18.227 -6.816 1.00 0.00 C ATOM 890 CD2 PHE A 56 -3.474 -17.856 -6.153 1.00 0.00 C ATOM 891 CE1 PHE A 56 -0.781 -17.844 -5.562 1.00 0.00 C ATOM 892 CE2 PHE A 56 -3.044 -17.472 -4.897 1.00 0.00 C ATOM 893 CZ PHE A 56 -1.698 -17.465 -4.601 1.00 0.00 C ATOM 894 OXT PHE A 56 -3.956 -19.100 -11.015 1.00 0.00 O ATOM 0 H PHE A 56 -4.862 -16.720 -9.112 1.00 0.00 H new ATOM 0 HA PHE A 56 -1.966 -17.137 -9.566 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -4.059 -19.023 -8.418 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -2.423 -19.492 -8.836 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -0.490 -18.520 -7.563 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -4.530 -17.857 -6.378 1.00 0.00 H new ATOM 0 HE1 PHE A 56 0.274 -17.841 -5.332 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -3.763 -17.177 -4.147 1.00 0.00 H new ATOM 0 HZ PHE A 56 -1.361 -17.164 -3.620 1.00 0.00 H new TER 904 PHE A 56