USER MOD reduce.3.24.130724 H: found=0, std=0, add=465, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 465 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 1 THR N :NH3+ -153:sc= 0.846 (180deg=0.339) USER MOD Set 1.2: A 3 TYR OH : rot 39:sc= 0.496 USER MOD Single : A 1 THR OG1 : rot 180:sc= 0 USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 154:sc= -0.262 (180deg=-0.891) USER MOD Single : A 8 ASN : amide:sc= -0.595 K(o=-0.6,f=-3.1!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -114:sc= -2.41! (180deg=-6.95!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -156:sc= -0.128 (180deg=-0.505) USER MOD Single : A 35 ASN : amide:sc= -0.659 X(o=-0.66,f=-0.18) USER MOD Single : A 37 LYS NZ :NH3+ 150:sc= -0.202 (180deg=-0.803) USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.0851 USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.282 USER MOD Single : A 45 TYR OH : rot -24:sc= 0.0399 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 28:sc= 0.0689 USER MOD Single : A 53 THR OG1 : rot -160:sc= -1.39 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 3.296 -13.211 3.996 1.00 0.00 N ATOM 2 CA THR A 1 4.770 -13.253 3.810 1.00 0.00 C ATOM 3 C THR A 1 5.281 -11.973 3.158 1.00 0.00 C ATOM 4 O THR A 1 6.012 -11.200 3.775 1.00 0.00 O ATOM 5 CB THR A 1 5.116 -14.463 2.941 1.00 0.00 C ATOM 6 OG1 THR A 1 4.546 -15.644 3.475 1.00 0.00 O ATOM 7 CG2 THR A 1 6.606 -14.695 2.805 1.00 0.00 C ATOM 0 H1 THR A 1 3.030 -13.815 4.800 1.00 0.00 H new ATOM 0 H2 THR A 1 2.998 -12.233 4.184 1.00 0.00 H new ATOM 0 H3 THR A 1 2.827 -13.556 3.134 1.00 0.00 H new ATOM 0 HA THR A 1 5.251 -13.339 4.784 1.00 0.00 H new ATOM 0 HB THR A 1 4.707 -14.237 1.956 1.00 0.00 H new ATOM 0 HG1 THR A 1 4.777 -16.406 2.904 1.00 0.00 H new ATOM 0 HG21 THR A 1 6.782 -15.568 2.177 1.00 0.00 H new ATOM 0 HG22 THR A 1 7.070 -13.820 2.350 1.00 0.00 H new ATOM 0 HG23 THR A 1 7.039 -14.864 3.791 1.00 0.00 H new ATOM 17 N THR A 2 4.886 -11.754 1.908 1.00 0.00 N ATOM 18 CA THR A 2 5.303 -10.566 1.172 1.00 0.00 C ATOM 19 C THR A 2 4.095 -9.731 0.760 1.00 0.00 C ATOM 20 O THR A 2 3.167 -10.235 0.127 1.00 0.00 O ATOM 21 CB THR A 2 6.107 -10.965 -0.068 1.00 0.00 C ATOM 22 OG1 THR A 2 6.988 -12.034 0.228 1.00 0.00 O ATOM 23 CG2 THR A 2 6.933 -9.831 -0.633 1.00 0.00 C ATOM 0 H THR A 2 4.278 -12.383 1.384 1.00 0.00 H new ATOM 0 HA THR A 2 5.933 -9.965 1.828 1.00 0.00 H new ATOM 0 HB THR A 2 5.366 -11.260 -0.812 1.00 0.00 H new ATOM 0 HG1 THR A 2 7.491 -12.276 -0.577 1.00 0.00 H new ATOM 0 HG21 THR A 2 7.478 -10.180 -1.510 1.00 0.00 H new ATOM 0 HG22 THR A 2 6.276 -9.009 -0.917 1.00 0.00 H new ATOM 0 HG23 THR A 2 7.641 -9.486 0.121 1.00 0.00 H new ATOM 31 N TYR A 3 4.112 -8.452 1.124 1.00 0.00 N ATOM 32 CA TYR A 3 3.016 -7.551 0.790 1.00 0.00 C ATOM 33 C TYR A 3 3.535 -6.284 0.118 1.00 0.00 C ATOM 34 O TYR A 3 4.586 -5.759 0.488 1.00 0.00 O ATOM 35 CB TYR A 3 2.223 -7.189 2.047 1.00 0.00 C ATOM 36 CG TYR A 3 1.886 -8.380 2.918 1.00 0.00 C ATOM 37 CD1 TYR A 3 2.816 -8.897 3.814 1.00 0.00 C ATOM 38 CD2 TYR A 3 0.640 -8.988 2.843 1.00 0.00 C ATOM 39 CE1 TYR A 3 2.512 -9.983 4.609 1.00 0.00 C ATOM 40 CE2 TYR A 3 0.328 -10.077 3.637 1.00 0.00 C ATOM 41 CZ TYR A 3 1.266 -10.570 4.517 1.00 0.00 C ATOM 42 OH TYR A 3 0.959 -11.653 5.308 1.00 0.00 O ATOM 0 H TYR A 3 4.871 -8.018 1.649 1.00 0.00 H new ATOM 0 HA TYR A 3 2.358 -8.066 0.090 1.00 0.00 H new ATOM 0 HB2 TYR A 3 2.797 -6.472 2.634 1.00 0.00 H new ATOM 0 HB3 TYR A 3 1.298 -6.693 1.752 1.00 0.00 H new ATOM 0 HD1 TYR A 3 3.792 -8.441 3.889 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -0.098 -8.605 2.154 1.00 0.00 H new ATOM 0 HE1 TYR A 3 3.245 -10.372 5.300 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -0.646 -10.538 3.567 1.00 0.00 H new ATOM 0 HH TYR A 3 1.343 -11.526 6.201 1.00 0.00 H new ATOM 52 N LYS A 4 2.791 -5.797 -0.871 1.00 0.00 N ATOM 53 CA LYS A 4 3.177 -4.589 -1.596 1.00 0.00 C ATOM 54 C LYS A 4 1.994 -3.638 -1.736 1.00 0.00 C ATOM 55 O LYS A 4 0.841 -4.065 -1.783 1.00 0.00 O ATOM 56 CB LYS A 4 3.726 -4.949 -2.976 1.00 0.00 C ATOM 57 CG LYS A 4 4.750 -6.076 -2.949 1.00 0.00 C ATOM 58 CD LYS A 4 4.238 -7.315 -3.667 1.00 0.00 C ATOM 59 CE LYS A 4 4.146 -7.091 -5.168 1.00 0.00 C ATOM 60 NZ LYS A 4 5.367 -6.428 -5.707 1.00 0.00 N ATOM 0 H LYS A 4 1.919 -6.219 -1.189 1.00 0.00 H new ATOM 0 HA LYS A 4 3.957 -4.086 -1.025 1.00 0.00 H new ATOM 0 HB2 LYS A 4 2.898 -5.237 -3.624 1.00 0.00 H new ATOM 0 HB3 LYS A 4 4.183 -4.064 -3.418 1.00 0.00 H new ATOM 0 HG2 LYS A 4 5.675 -5.739 -3.418 1.00 0.00 H new ATOM 0 HG3 LYS A 4 4.989 -6.326 -1.915 1.00 0.00 H new ATOM 0 HD2 LYS A 4 4.902 -8.155 -3.463 1.00 0.00 H new ATOM 0 HD3 LYS A 4 3.256 -7.583 -3.277 1.00 0.00 H new ATOM 0 HE2 LYS A 4 4.001 -8.048 -5.670 1.00 0.00 H new ATOM 0 HE3 LYS A 4 3.272 -6.479 -5.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 5.482 -6.676 -6.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 5.272 -5.397 -5.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 6.200 -6.748 -5.173 1.00 0.00 H new ATOM 74 N LEU A 5 2.292 -2.346 -1.794 1.00 0.00 N ATOM 75 CA LEU A 5 1.260 -1.329 -1.918 1.00 0.00 C ATOM 76 C LEU A 5 1.579 -0.360 -3.056 1.00 0.00 C ATOM 77 O LEU A 5 2.694 0.152 -3.156 1.00 0.00 O ATOM 78 CB LEU A 5 1.120 -0.574 -0.592 1.00 0.00 C ATOM 79 CG LEU A 5 0.551 0.847 -0.696 1.00 0.00 C ATOM 80 CD1 LEU A 5 -0.758 0.844 -1.474 1.00 0.00 C ATOM 81 CD2 LEU A 5 0.347 1.445 0.688 1.00 0.00 C ATOM 0 H LEU A 5 3.243 -1.979 -1.757 1.00 0.00 H new ATOM 0 HA LEU A 5 0.315 -1.818 -2.154 1.00 0.00 H new ATOM 0 HB2 LEU A 5 0.479 -1.155 0.071 1.00 0.00 H new ATOM 0 HB3 LEU A 5 2.101 -0.520 -0.120 1.00 0.00 H new ATOM 0 HG LEU A 5 1.270 1.465 -1.234 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -1.146 1.861 -1.537 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -0.583 0.459 -2.479 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -1.483 0.210 -0.964 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -0.057 2.453 0.593 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -0.350 0.826 1.253 1.00 0.00 H new ATOM 0 HD23 LEU A 5 1.302 1.485 1.211 1.00 0.00 H new ATOM 93 N ILE A 6 0.588 -0.113 -3.908 1.00 0.00 N ATOM 94 CA ILE A 6 0.756 0.795 -5.036 1.00 0.00 C ATOM 95 C ILE A 6 -0.049 2.075 -4.826 1.00 0.00 C ATOM 96 O ILE A 6 -1.277 2.069 -4.910 1.00 0.00 O ATOM 97 CB ILE A 6 0.331 0.129 -6.363 1.00 0.00 C ATOM 98 CG1 ILE A 6 1.190 -1.108 -6.635 1.00 0.00 C ATOM 99 CG2 ILE A 6 0.440 1.115 -7.519 1.00 0.00 C ATOM 100 CD1 ILE A 6 0.891 -2.267 -5.710 1.00 0.00 C ATOM 0 H ILE A 6 -0.340 -0.530 -3.838 1.00 0.00 H new ATOM 0 HA ILE A 6 1.815 1.044 -5.096 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.710 -0.181 -6.274 1.00 0.00 H new ATOM 0 HG12 ILE A 6 1.036 -1.427 -7.666 1.00 0.00 H new ATOM 0 HG13 ILE A 6 2.242 -0.838 -6.538 1.00 0.00 H new ATOM 0 HG21 ILE A 6 0.136 0.626 -8.444 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -0.209 1.970 -7.330 1.00 0.00 H new ATOM 0 HG23 ILE A 6 1.471 1.456 -7.611 1.00 0.00 H new ATOM 0 HD11 ILE A 6 1.537 -3.109 -5.961 1.00 0.00 H new ATOM 0 HD12 ILE A 6 1.072 -1.965 -4.678 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -0.152 -2.563 -5.823 1.00 0.00 H new ATOM 112 N LEU A 7 0.653 3.170 -4.548 1.00 0.00 N ATOM 113 CA LEU A 7 0.005 4.458 -4.322 1.00 0.00 C ATOM 114 C LEU A 7 -0.040 5.282 -5.605 1.00 0.00 C ATOM 115 O LEU A 7 0.983 5.478 -6.264 1.00 0.00 O ATOM 116 CB LEU A 7 0.741 5.239 -3.230 1.00 0.00 C ATOM 117 CG LEU A 7 1.163 4.413 -2.014 1.00 0.00 C ATOM 118 CD1 LEU A 7 2.478 4.930 -1.449 1.00 0.00 C ATOM 119 CD2 LEU A 7 0.078 4.440 -0.950 1.00 0.00 C ATOM 0 H LEU A 7 1.670 3.191 -4.474 1.00 0.00 H new ATOM 0 HA LEU A 7 -1.018 4.266 -3.999 1.00 0.00 H new ATOM 0 HB2 LEU A 7 1.630 5.694 -3.667 1.00 0.00 H new ATOM 0 HB3 LEU A 7 0.100 6.053 -2.892 1.00 0.00 H new ATOM 0 HG LEU A 7 1.308 3.380 -2.332 1.00 0.00 H new ATOM 0 HD11 LEU A 7 2.763 4.331 -0.584 1.00 0.00 H new ATOM 0 HD12 LEU A 7 3.254 4.860 -2.211 1.00 0.00 H new ATOM 0 HD13 LEU A 7 2.360 5.970 -1.146 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.395 3.847 -0.092 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.098 5.469 -0.635 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -0.843 4.023 -1.359 1.00 0.00 H new ATOM 131 N ASN A 8 -1.228 5.761 -5.953 1.00 0.00 N ATOM 132 CA ASN A 8 -1.404 6.567 -7.157 1.00 0.00 C ATOM 133 C ASN A 8 -2.107 7.881 -6.833 1.00 0.00 C ATOM 134 O ASN A 8 -3.327 7.920 -6.663 1.00 0.00 O ATOM 135 CB ASN A 8 -2.206 5.793 -8.207 1.00 0.00 C ATOM 136 CG ASN A 8 -2.204 6.473 -9.562 1.00 0.00 C ATOM 137 OD1 ASN A 8 -3.245 6.587 -10.209 1.00 0.00 O ATOM 138 ND2 ASN A 8 -1.038 6.924 -9.999 1.00 0.00 N ATOM 0 H ASN A 8 -2.084 5.606 -5.420 1.00 0.00 H new ATOM 0 HA ASN A 8 -0.416 6.791 -7.559 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -1.792 4.790 -8.308 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -3.234 5.680 -7.863 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -0.978 7.388 -10.906 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -0.200 6.808 -9.429 1.00 0.00 H new ATOM 145 N LEU A 9 -1.333 8.955 -6.747 1.00 0.00 N ATOM 146 CA LEU A 9 -1.885 10.267 -6.443 1.00 0.00 C ATOM 147 C LEU A 9 -1.909 11.147 -7.690 1.00 0.00 C ATOM 148 O LEU A 9 -1.485 10.727 -8.767 1.00 0.00 O ATOM 149 CB LEU A 9 -1.070 10.948 -5.340 1.00 0.00 C ATOM 150 CG LEU A 9 0.447 10.926 -5.548 1.00 0.00 C ATOM 151 CD1 LEU A 9 1.045 12.294 -5.263 1.00 0.00 C ATOM 152 CD2 LEU A 9 1.093 9.875 -4.665 1.00 0.00 C ATOM 0 H LEU A 9 -0.322 8.943 -6.883 1.00 0.00 H new ATOM 0 HA LEU A 9 -2.908 10.130 -6.094 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -1.395 11.985 -5.257 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -1.298 10.465 -4.390 1.00 0.00 H new ATOM 0 HG LEU A 9 0.644 10.671 -6.589 1.00 0.00 H new ATOM 0 HD11 LEU A 9 2.124 12.259 -5.416 1.00 0.00 H new ATOM 0 HD12 LEU A 9 0.607 13.030 -5.937 1.00 0.00 H new ATOM 0 HD13 LEU A 9 0.834 12.576 -4.231 1.00 0.00 H new ATOM 0 HD21 LEU A 9 2.171 9.875 -4.828 1.00 0.00 H new ATOM 0 HD22 LEU A 9 0.884 10.100 -3.619 1.00 0.00 H new ATOM 0 HD23 LEU A 9 0.689 8.893 -4.913 1.00 0.00 H new ATOM 164 N LYS A 10 -2.411 12.373 -7.541 1.00 0.00 N ATOM 165 CA LYS A 10 -2.494 13.308 -8.657 1.00 0.00 C ATOM 166 C LYS A 10 -1.158 14.007 -8.884 1.00 0.00 C ATOM 167 O LYS A 10 -1.062 15.234 -8.787 1.00 0.00 O ATOM 168 CB LYS A 10 -3.594 14.338 -8.399 1.00 0.00 C ATOM 169 CG LYS A 10 -4.331 14.767 -9.655 1.00 0.00 C ATOM 170 CD LYS A 10 -4.974 16.134 -9.484 1.00 0.00 C ATOM 171 CE LYS A 10 -6.384 16.026 -8.935 1.00 0.00 C ATOM 172 NZ LYS A 10 -7.170 17.267 -9.151 1.00 0.00 N ATOM 0 H LYS A 10 -2.766 12.739 -6.658 1.00 0.00 H new ATOM 0 HA LYS A 10 -2.739 12.745 -9.558 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -4.311 13.922 -7.691 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -3.154 15.217 -7.928 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -3.637 14.793 -10.495 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -5.097 14.031 -9.898 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -4.367 16.740 -8.811 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -4.996 16.649 -10.445 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -6.894 15.188 -9.411 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -6.340 15.808 -7.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -8.126 17.145 -8.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -6.700 18.063 -8.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -7.236 17.463 -10.170 1.00 0.00 H new ATOM 186 N GLN A 11 -0.129 13.219 -9.188 1.00 0.00 N ATOM 187 CA GLN A 11 1.202 13.768 -9.432 1.00 0.00 C ATOM 188 C GLN A 11 2.193 12.667 -9.787 1.00 0.00 C ATOM 189 O GLN A 11 2.931 12.772 -10.766 1.00 0.00 O ATOM 190 CB GLN A 11 1.694 14.549 -8.208 1.00 0.00 C ATOM 191 CG GLN A 11 1.923 16.027 -8.476 1.00 0.00 C ATOM 192 CD GLN A 11 3.363 16.446 -8.250 1.00 0.00 C ATOM 193 OE1 GLN A 11 3.870 16.398 -7.131 1.00 0.00 O ATOM 194 NE2 GLN A 11 4.034 16.874 -9.319 1.00 0.00 N ATOM 0 H GLN A 11 -0.191 12.204 -9.271 1.00 0.00 H new ATOM 0 HA GLN A 11 1.133 14.450 -10.280 1.00 0.00 H new ATOM 0 HB2 GLN A 11 0.965 14.444 -7.404 1.00 0.00 H new ATOM 0 HB3 GLN A 11 2.625 14.105 -7.855 1.00 0.00 H new ATOM 0 HG2 GLN A 11 1.640 16.254 -9.504 1.00 0.00 H new ATOM 0 HG3 GLN A 11 1.272 16.615 -7.829 1.00 0.00 H new ATOM 0 HE21 GLN A 11 3.578 16.899 -10.231 1.00 0.00 H new ATOM 0 HE22 GLN A 11 5.004 17.177 -9.225 1.00 0.00 H new ATOM 203 N ALA A 12 2.203 11.608 -8.981 1.00 0.00 N ATOM 204 CA ALA A 12 3.104 10.487 -9.209 1.00 0.00 C ATOM 205 C ALA A 12 2.610 9.229 -8.498 1.00 0.00 C ATOM 206 O ALA A 12 1.473 9.178 -8.032 1.00 0.00 O ATOM 207 CB ALA A 12 4.510 10.838 -8.747 1.00 0.00 C ATOM 0 H ALA A 12 1.598 11.505 -8.166 1.00 0.00 H new ATOM 0 HA ALA A 12 3.125 10.283 -10.279 1.00 0.00 H new ATOM 0 HB1 ALA A 12 5.173 9.991 -8.923 1.00 0.00 H new ATOM 0 HB2 ALA A 12 4.871 11.703 -9.304 1.00 0.00 H new ATOM 0 HB3 ALA A 12 4.495 11.072 -7.682 1.00 0.00 H new ATOM 213 N LYS A 13 3.470 8.215 -8.419 1.00 0.00 N ATOM 214 CA LYS A 13 3.122 6.965 -7.769 1.00 0.00 C ATOM 215 C LYS A 13 4.288 6.440 -6.941 1.00 0.00 C ATOM 216 O LYS A 13 5.452 6.616 -7.302 1.00 0.00 O ATOM 217 CB LYS A 13 2.712 5.925 -8.813 1.00 0.00 C ATOM 218 CG LYS A 13 3.833 5.539 -9.762 1.00 0.00 C ATOM 219 CD LYS A 13 3.695 6.233 -11.100 1.00 0.00 C ATOM 220 CE LYS A 13 4.122 5.340 -12.252 1.00 0.00 C ATOM 221 NZ LYS A 13 3.926 5.993 -13.573 1.00 0.00 N ATOM 0 H LYS A 13 4.416 8.241 -8.801 1.00 0.00 H new ATOM 0 HA LYS A 13 2.282 7.151 -7.100 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.356 5.030 -8.302 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.875 6.315 -9.392 1.00 0.00 H new ATOM 0 HG2 LYS A 13 4.793 5.797 -9.315 1.00 0.00 H new ATOM 0 HG3 LYS A 13 3.830 4.459 -9.910 1.00 0.00 H new ATOM 0 HD2 LYS A 13 2.659 6.540 -11.244 1.00 0.00 H new ATOM 0 HD3 LYS A 13 4.299 7.140 -11.102 1.00 0.00 H new ATOM 0 HE2 LYS A 13 5.172 5.074 -12.133 1.00 0.00 H new ATOM 0 HE3 LYS A 13 3.552 4.411 -12.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 4.231 5.347 -14.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 2.920 6.224 -13.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 4.490 6.866 -13.616 1.00 0.00 H new ATOM 235 N GLU A 14 3.967 5.788 -5.827 1.00 0.00 N ATOM 236 CA GLU A 14 4.984 5.230 -4.943 1.00 0.00 C ATOM 237 C GLU A 14 4.644 3.791 -4.569 1.00 0.00 C ATOM 238 O GLU A 14 3.504 3.483 -4.224 1.00 0.00 O ATOM 239 CB GLU A 14 5.115 6.082 -3.679 1.00 0.00 C ATOM 240 CG GLU A 14 6.545 6.218 -3.184 1.00 0.00 C ATOM 241 CD GLU A 14 7.292 7.349 -3.862 1.00 0.00 C ATOM 242 OE1 GLU A 14 7.386 7.335 -5.108 1.00 0.00 O ATOM 243 OE2 GLU A 14 7.782 8.250 -3.150 1.00 0.00 O ATOM 0 H GLU A 14 3.008 5.633 -5.515 1.00 0.00 H new ATOM 0 HA GLU A 14 5.936 5.235 -5.474 1.00 0.00 H new ATOM 0 HB2 GLU A 14 4.712 7.075 -3.877 1.00 0.00 H new ATOM 0 HB3 GLU A 14 4.506 5.642 -2.889 1.00 0.00 H new ATOM 0 HG2 GLU A 14 6.538 6.386 -2.107 1.00 0.00 H new ATOM 0 HG3 GLU A 14 7.076 5.282 -3.357 1.00 0.00 H new ATOM 250 N GLU A 15 5.639 2.912 -4.645 1.00 0.00 N ATOM 251 CA GLU A 15 5.437 1.505 -4.316 1.00 0.00 C ATOM 252 C GLU A 15 6.030 1.163 -2.955 1.00 0.00 C ATOM 253 O GLU A 15 7.218 1.374 -2.713 1.00 0.00 O ATOM 254 CB GLU A 15 6.062 0.611 -5.388 1.00 0.00 C ATOM 255 CG GLU A 15 5.229 0.507 -6.655 1.00 0.00 C ATOM 256 CD GLU A 15 5.869 -0.382 -7.702 1.00 0.00 C ATOM 257 OE1 GLU A 15 7.109 -0.335 -7.846 1.00 0.00 O ATOM 258 OE2 GLU A 15 5.130 -1.125 -8.383 1.00 0.00 O ATOM 0 H GLU A 15 6.589 3.148 -4.930 1.00 0.00 H new ATOM 0 HA GLU A 15 4.362 1.327 -4.278 1.00 0.00 H new ATOM 0 HB2 GLU A 15 7.048 0.999 -5.643 1.00 0.00 H new ATOM 0 HB3 GLU A 15 6.208 -0.388 -4.976 1.00 0.00 H new ATOM 0 HG2 GLU A 15 4.242 0.116 -6.406 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.081 1.504 -7.071 1.00 0.00 H new ATOM 265 N ALA A 16 5.197 0.618 -2.077 1.00 0.00 N ATOM 266 CA ALA A 16 5.638 0.226 -0.746 1.00 0.00 C ATOM 267 C ALA A 16 5.668 -1.291 -0.625 1.00 0.00 C ATOM 268 O ALA A 16 4.716 -1.970 -1.005 1.00 0.00 O ATOM 269 CB ALA A 16 4.730 0.828 0.315 1.00 0.00 C ATOM 0 H ALA A 16 4.211 0.438 -2.264 1.00 0.00 H new ATOM 0 HA ALA A 16 6.647 0.606 -0.589 1.00 0.00 H new ATOM 0 HB1 ALA A 16 5.075 0.524 1.304 1.00 0.00 H new ATOM 0 HB2 ALA A 16 4.754 1.915 0.240 1.00 0.00 H new ATOM 0 HB3 ALA A 16 3.710 0.476 0.163 1.00 0.00 H new ATOM 275 N ILE A 17 6.765 -1.821 -0.101 1.00 0.00 N ATOM 276 CA ILE A 17 6.907 -3.263 0.053 1.00 0.00 C ATOM 277 C ILE A 17 7.479 -3.626 1.417 1.00 0.00 C ATOM 278 O ILE A 17 8.219 -2.851 2.021 1.00 0.00 O ATOM 279 CB ILE A 17 7.796 -3.862 -1.057 1.00 0.00 C ATOM 280 CG1 ILE A 17 9.235 -3.354 -0.931 1.00 0.00 C ATOM 281 CG2 ILE A 17 7.225 -3.527 -2.429 1.00 0.00 C ATOM 282 CD1 ILE A 17 9.394 -1.884 -1.255 1.00 0.00 C ATOM 0 H ILE A 17 7.565 -1.278 0.223 1.00 0.00 H new ATOM 0 HA ILE A 17 5.907 -3.688 -0.030 1.00 0.00 H new ATOM 0 HB ILE A 17 7.809 -4.946 -0.943 1.00 0.00 H new ATOM 0 HG12 ILE A 17 9.586 -3.533 0.085 1.00 0.00 H new ATOM 0 HG13 ILE A 17 9.875 -3.934 -1.596 1.00 0.00 H new ATOM 0 HG21 ILE A 17 7.862 -3.956 -3.203 1.00 0.00 H new ATOM 0 HG22 ILE A 17 6.220 -3.941 -2.516 1.00 0.00 H new ATOM 0 HG23 ILE A 17 7.184 -2.445 -2.552 1.00 0.00 H new ATOM 0 HD11 ILE A 17 10.440 -1.598 -1.144 1.00 0.00 H new ATOM 0 HD12 ILE A 17 9.075 -1.701 -2.281 1.00 0.00 H new ATOM 0 HD13 ILE A 17 8.782 -1.293 -0.574 1.00 0.00 H new ATOM 294 N LYS A 18 7.117 -4.809 1.899 1.00 0.00 N ATOM 295 CA LYS A 18 7.577 -5.281 3.196 1.00 0.00 C ATOM 296 C LYS A 18 7.243 -6.760 3.380 1.00 0.00 C ATOM 297 O LYS A 18 6.237 -7.246 2.864 1.00 0.00 O ATOM 298 CB LYS A 18 6.934 -4.438 4.303 1.00 0.00 C ATOM 299 CG LYS A 18 6.936 -5.099 5.674 1.00 0.00 C ATOM 300 CD LYS A 18 7.087 -4.075 6.789 1.00 0.00 C ATOM 301 CE LYS A 18 5.942 -4.161 7.786 1.00 0.00 C ATOM 302 NZ LYS A 18 6.307 -4.962 8.988 1.00 0.00 N ATOM 0 H LYS A 18 6.504 -5.460 1.408 1.00 0.00 H new ATOM 0 HA LYS A 18 8.660 -5.174 3.251 1.00 0.00 H new ATOM 0 HB2 LYS A 18 7.460 -3.486 4.371 1.00 0.00 H new ATOM 0 HB3 LYS A 18 5.905 -4.214 4.022 1.00 0.00 H new ATOM 0 HG2 LYS A 18 6.008 -5.654 5.812 1.00 0.00 H new ATOM 0 HG3 LYS A 18 7.751 -5.821 5.729 1.00 0.00 H new ATOM 0 HD2 LYS A 18 8.033 -4.236 7.306 1.00 0.00 H new ATOM 0 HD3 LYS A 18 7.123 -3.073 6.361 1.00 0.00 H new ATOM 0 HE2 LYS A 18 5.653 -3.156 8.094 1.00 0.00 H new ATOM 0 HE3 LYS A 18 5.073 -4.608 7.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 5.732 -5.828 9.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 7.314 -5.216 8.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 6.129 -4.401 9.846 1.00 0.00 H new ATOM 316 N GLU A 19 8.093 -7.468 4.117 1.00 0.00 N ATOM 317 CA GLU A 19 7.885 -8.891 4.367 1.00 0.00 C ATOM 318 C GLU A 19 7.511 -9.141 5.824 1.00 0.00 C ATOM 319 O GLU A 19 8.283 -8.841 6.735 1.00 0.00 O ATOM 320 CB GLU A 19 9.146 -9.682 4.010 1.00 0.00 C ATOM 321 CG GLU A 19 8.876 -11.154 3.740 1.00 0.00 C ATOM 322 CD GLU A 19 10.132 -12.002 3.873 1.00 0.00 C ATOM 323 OE1 GLU A 19 11.194 -11.561 3.403 1.00 0.00 O ATOM 324 OE2 GLU A 19 10.038 -13.107 4.448 1.00 0.00 O ATOM 0 H GLU A 19 8.931 -7.081 4.551 1.00 0.00 H new ATOM 0 HA GLU A 19 7.061 -9.227 3.737 1.00 0.00 H new ATOM 0 HB2 GLU A 19 9.608 -9.237 3.129 1.00 0.00 H new ATOM 0 HB3 GLU A 19 9.864 -9.595 4.825 1.00 0.00 H new ATOM 0 HG2 GLU A 19 8.119 -11.517 4.436 1.00 0.00 H new ATOM 0 HG3 GLU A 19 8.467 -11.269 2.736 1.00 0.00 H new ATOM 331 N ALA A 20 6.320 -9.690 6.038 1.00 0.00 N ATOM 332 CA ALA A 20 5.842 -9.982 7.384 1.00 0.00 C ATOM 333 C ALA A 20 5.116 -11.322 7.429 1.00 0.00 C ATOM 334 O ALA A 20 4.683 -11.841 6.400 1.00 0.00 O ATOM 335 CB ALA A 20 4.928 -8.868 7.872 1.00 0.00 C ATOM 0 H ALA A 20 5.668 -9.942 5.295 1.00 0.00 H new ATOM 0 HA ALA A 20 6.706 -10.044 8.045 1.00 0.00 H new ATOM 0 HB1 ALA A 20 4.578 -9.099 8.878 1.00 0.00 H new ATOM 0 HB2 ALA A 20 5.477 -7.927 7.886 1.00 0.00 H new ATOM 0 HB3 ALA A 20 4.073 -8.779 7.202 1.00 0.00 H new ATOM 341 N VAL A 21 4.989 -11.883 8.628 1.00 0.00 N ATOM 342 CA VAL A 21 4.318 -13.166 8.806 1.00 0.00 C ATOM 343 C VAL A 21 2.831 -12.989 9.111 1.00 0.00 C ATOM 344 O VAL A 21 2.192 -13.890 9.655 1.00 0.00 O ATOM 345 CB VAL A 21 4.966 -13.987 9.938 1.00 0.00 C ATOM 346 CG1 VAL A 21 6.411 -14.322 9.592 1.00 0.00 C ATOM 347 CG2 VAL A 21 4.885 -13.236 11.260 1.00 0.00 C ATOM 0 H VAL A 21 5.342 -11.469 9.491 1.00 0.00 H new ATOM 0 HA VAL A 21 4.425 -13.703 7.864 1.00 0.00 H new ATOM 0 HB VAL A 21 4.415 -14.921 10.046 1.00 0.00 H new ATOM 0 HG11 VAL A 21 6.854 -14.902 10.402 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.439 -14.904 8.671 1.00 0.00 H new ATOM 0 HG13 VAL A 21 6.976 -13.400 9.455 1.00 0.00 H new ATOM 0 HG21 VAL A 21 5.348 -13.832 12.046 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.409 -12.284 11.170 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.840 -13.053 11.511 1.00 0.00 H new ATOM 357 N ASP A 22 2.282 -11.828 8.760 1.00 0.00 N ATOM 358 CA ASP A 22 0.871 -11.549 9.001 1.00 0.00 C ATOM 359 C ASP A 22 0.394 -10.393 8.126 1.00 0.00 C ATOM 360 O ASP A 22 1.081 -9.991 7.187 1.00 0.00 O ATOM 361 CB ASP A 22 0.641 -11.219 10.477 1.00 0.00 C ATOM 362 CG ASP A 22 -0.647 -11.818 11.011 1.00 0.00 C ATOM 363 OD1 ASP A 22 -0.817 -13.050 10.902 1.00 0.00 O ATOM 364 OD2 ASP A 22 -1.483 -11.055 11.535 1.00 0.00 O ATOM 0 H ASP A 22 2.792 -11.068 8.309 1.00 0.00 H new ATOM 0 HA ASP A 22 0.297 -12.439 8.743 1.00 0.00 H new ATOM 0 HB2 ASP A 22 1.481 -11.589 11.064 1.00 0.00 H new ATOM 0 HB3 ASP A 22 0.615 -10.137 10.605 1.00 0.00 H new ATOM 369 N ALA A 23 -0.785 -9.862 8.438 1.00 0.00 N ATOM 370 CA ALA A 23 -1.345 -8.753 7.675 1.00 0.00 C ATOM 371 C ALA A 23 -1.477 -7.505 8.536 1.00 0.00 C ATOM 372 O ALA A 23 -1.213 -6.394 8.079 1.00 0.00 O ATOM 373 CB ALA A 23 -2.694 -9.136 7.094 1.00 0.00 C ATOM 0 H ALA A 23 -1.369 -10.181 9.211 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.660 -8.530 6.857 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -3.098 -8.297 6.528 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.575 -9.995 6.434 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -3.379 -9.391 7.902 1.00 0.00 H new ATOM 379 N GLY A 24 -1.884 -7.693 9.790 1.00 0.00 N ATOM 380 CA GLY A 24 -2.037 -6.567 10.696 1.00 0.00 C ATOM 381 C GLY A 24 -0.823 -5.659 10.685 1.00 0.00 C ATOM 382 O GLY A 24 -0.941 -4.447 10.868 1.00 0.00 O ATOM 0 H GLY A 24 -2.110 -8.602 10.193 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.921 -5.994 10.416 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -2.204 -6.936 11.708 1.00 0.00 H new ATOM 386 N THR A 25 0.343 -6.253 10.456 1.00 0.00 N ATOM 387 CA THR A 25 1.589 -5.501 10.408 1.00 0.00 C ATOM 388 C THR A 25 1.777 -4.870 9.033 1.00 0.00 C ATOM 389 O THR A 25 2.415 -3.826 8.901 1.00 0.00 O ATOM 390 CB THR A 25 2.773 -6.412 10.733 1.00 0.00 C ATOM 391 OG1 THR A 25 2.536 -7.135 11.927 1.00 0.00 O ATOM 392 CG2 THR A 25 4.076 -5.660 10.902 1.00 0.00 C ATOM 0 H THR A 25 0.450 -7.255 10.301 1.00 0.00 H new ATOM 0 HA THR A 25 1.541 -4.707 11.154 1.00 0.00 H new ATOM 0 HB THR A 25 2.866 -7.082 9.878 1.00 0.00 H new ATOM 0 HG1 THR A 25 3.304 -7.713 12.117 1.00 0.00 H new ATOM 0 HG21 THR A 25 4.876 -6.364 11.131 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.313 -5.130 9.979 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.979 -4.943 11.717 1.00 0.00 H new ATOM 400 N ALA A 26 1.210 -5.507 8.009 1.00 0.00 N ATOM 401 CA ALA A 26 1.313 -4.998 6.650 1.00 0.00 C ATOM 402 C ALA A 26 0.335 -3.851 6.435 1.00 0.00 C ATOM 403 O ALA A 26 0.679 -2.830 5.838 1.00 0.00 O ATOM 404 CB ALA A 26 1.056 -6.113 5.646 1.00 0.00 C ATOM 0 H ALA A 26 0.678 -6.372 8.098 1.00 0.00 H new ATOM 0 HA ALA A 26 2.324 -4.621 6.497 1.00 0.00 H new ATOM 0 HB1 ALA A 26 1.137 -5.717 4.634 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.792 -6.905 5.785 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.055 -6.517 5.799 1.00 0.00 H new ATOM 410 N GLU A 27 -0.884 -4.024 6.935 1.00 0.00 N ATOM 411 CA GLU A 27 -1.916 -3.000 6.809 1.00 0.00 C ATOM 412 C GLU A 27 -1.528 -1.750 7.593 1.00 0.00 C ATOM 413 O GLU A 27 -1.423 -0.663 7.029 1.00 0.00 O ATOM 414 CB GLU A 27 -3.260 -3.533 7.305 1.00 0.00 C ATOM 415 CG GLU A 27 -4.390 -2.521 7.202 1.00 0.00 C ATOM 416 CD GLU A 27 -5.760 -3.165 7.281 1.00 0.00 C ATOM 417 OE1 GLU A 27 -5.993 -4.152 6.552 1.00 0.00 O ATOM 418 OE2 GLU A 27 -6.598 -2.685 8.072 1.00 0.00 O ATOM 0 H GLU A 27 -1.182 -4.864 7.431 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.010 -2.737 5.755 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -3.524 -4.420 6.730 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -3.157 -3.846 8.344 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -4.291 -1.788 8.003 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -4.302 -1.978 6.261 1.00 0.00 H new ATOM 425 N LYS A 28 -1.316 -1.912 8.896 1.00 0.00 N ATOM 426 CA LYS A 28 -0.939 -0.793 9.756 1.00 0.00 C ATOM 427 C LYS A 28 0.301 -0.084 9.219 1.00 0.00 C ATOM 428 O LYS A 28 0.382 1.144 9.240 1.00 0.00 O ATOM 429 CB LYS A 28 -0.684 -1.280 11.184 1.00 0.00 C ATOM 430 CG LYS A 28 -1.907 -1.198 12.084 1.00 0.00 C ATOM 431 CD LYS A 28 -1.868 0.038 12.967 1.00 0.00 C ATOM 432 CE LYS A 28 -1.303 -0.273 14.345 1.00 0.00 C ATOM 433 NZ LYS A 28 -0.043 0.476 14.610 1.00 0.00 N ATOM 0 H LYS A 28 -1.399 -2.806 9.380 1.00 0.00 H new ATOM 0 HA LYS A 28 -1.766 -0.083 9.764 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -0.337 -2.313 11.150 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.119 -0.688 11.622 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -2.809 -1.181 11.473 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -1.961 -2.090 12.708 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.261 0.807 12.490 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -2.874 0.444 13.069 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.042 -0.021 15.106 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -1.113 -1.343 14.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 0.310 0.237 15.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 0.671 0.217 13.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -0.229 1.498 14.557 1.00 0.00 H new ATOM 447 N TYR A 29 1.262 -0.862 8.734 1.00 0.00 N ATOM 448 CA TYR A 29 2.493 -0.300 8.186 1.00 0.00 C ATOM 449 C TYR A 29 2.199 0.443 6.886 1.00 0.00 C ATOM 450 O TYR A 29 2.600 1.596 6.711 1.00 0.00 O ATOM 451 CB TYR A 29 3.528 -1.406 7.941 1.00 0.00 C ATOM 452 CG TYR A 29 4.755 -0.941 7.185 1.00 0.00 C ATOM 453 CD1 TYR A 29 4.722 -0.774 5.806 1.00 0.00 C ATOM 454 CD2 TYR A 29 5.942 -0.670 7.853 1.00 0.00 C ATOM 455 CE1 TYR A 29 5.841 -0.350 5.114 1.00 0.00 C ATOM 456 CE2 TYR A 29 7.065 -0.245 7.167 1.00 0.00 C ATOM 457 CZ TYR A 29 7.009 -0.087 5.798 1.00 0.00 C ATOM 458 OH TYR A 29 8.123 0.335 5.111 1.00 0.00 O ATOM 0 H TYR A 29 1.214 -1.881 8.709 1.00 0.00 H new ATOM 0 HA TYR A 29 2.904 0.404 8.910 1.00 0.00 H new ATOM 0 HB2 TYR A 29 3.839 -1.818 8.901 1.00 0.00 H new ATOM 0 HB3 TYR A 29 3.056 -2.216 7.385 1.00 0.00 H new ATOM 0 HD1 TYR A 29 3.809 -0.978 5.267 1.00 0.00 H new ATOM 0 HD2 TYR A 29 5.989 -0.793 8.925 1.00 0.00 H new ATOM 0 HE1 TYR A 29 5.801 -0.225 4.042 1.00 0.00 H new ATOM 0 HE2 TYR A 29 7.981 -0.038 7.700 1.00 0.00 H new ATOM 0 HH TYR A 29 8.861 0.477 5.740 1.00 0.00 H new ATOM 468 N PHE A 30 1.485 -0.221 5.983 1.00 0.00 N ATOM 469 CA PHE A 30 1.127 0.380 4.706 1.00 0.00 C ATOM 470 C PHE A 30 0.272 1.621 4.937 1.00 0.00 C ATOM 471 O PHE A 30 0.474 2.655 4.302 1.00 0.00 O ATOM 472 CB PHE A 30 0.373 -0.627 3.827 1.00 0.00 C ATOM 473 CG PHE A 30 1.270 -1.523 3.003 1.00 0.00 C ATOM 474 CD1 PHE A 30 2.492 -1.063 2.529 1.00 0.00 C ATOM 475 CD2 PHE A 30 0.889 -2.826 2.698 1.00 0.00 C ATOM 476 CE1 PHE A 30 3.313 -1.882 1.774 1.00 0.00 C ATOM 477 CE2 PHE A 30 1.709 -3.644 1.944 1.00 0.00 C ATOM 478 CZ PHE A 30 2.921 -3.172 1.482 1.00 0.00 C ATOM 0 H PHE A 30 1.144 -1.174 6.113 1.00 0.00 H new ATOM 0 HA PHE A 30 2.042 0.669 4.189 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -0.257 -1.248 4.464 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -0.291 -0.081 3.157 1.00 0.00 H new ATOM 0 HD1 PHE A 30 2.805 -0.054 2.752 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.058 -3.202 3.055 1.00 0.00 H new ATOM 0 HE1 PHE A 30 4.261 -1.511 1.413 1.00 0.00 H new ATOM 0 HE2 PHE A 30 1.401 -4.654 1.716 1.00 0.00 H new ATOM 0 HZ PHE A 30 3.561 -3.812 0.893 1.00 0.00 H new ATOM 488 N LYS A 31 -0.678 1.508 5.861 1.00 0.00 N ATOM 489 CA LYS A 31 -1.560 2.620 6.190 1.00 0.00 C ATOM 490 C LYS A 31 -0.761 3.841 6.648 1.00 0.00 C ATOM 491 O LYS A 31 -1.162 4.979 6.406 1.00 0.00 O ATOM 492 CB LYS A 31 -2.554 2.204 7.279 1.00 0.00 C ATOM 493 CG LYS A 31 -3.923 2.843 7.128 1.00 0.00 C ATOM 494 CD LYS A 31 -4.890 2.344 8.192 1.00 0.00 C ATOM 495 CE LYS A 31 -5.800 1.253 7.650 1.00 0.00 C ATOM 496 NZ LYS A 31 -6.699 1.760 6.576 1.00 0.00 N ATOM 0 H LYS A 31 -0.856 0.657 6.394 1.00 0.00 H new ATOM 0 HA LYS A 31 -2.110 2.892 5.289 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -2.665 1.120 7.263 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.144 2.469 8.254 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -3.830 3.927 7.198 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -4.323 2.621 6.138 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -4.329 1.961 9.044 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -5.494 3.176 8.555 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -5.194 0.436 7.260 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -6.400 0.844 8.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -7.543 1.155 6.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -6.986 2.735 6.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -6.196 1.744 5.666 1.00 0.00 H new ATOM 510 N LEU A 32 0.370 3.599 7.311 1.00 0.00 N ATOM 511 CA LEU A 32 1.215 4.680 7.797 1.00 0.00 C ATOM 512 C LEU A 32 1.903 5.404 6.641 1.00 0.00 C ATOM 513 O LEU A 32 2.039 6.628 6.659 1.00 0.00 O ATOM 514 CB LEU A 32 2.258 4.132 8.774 1.00 0.00 C ATOM 515 CG LEU A 32 1.717 3.653 10.131 1.00 0.00 C ATOM 516 CD1 LEU A 32 2.418 4.385 11.260 1.00 0.00 C ATOM 517 CD2 LEU A 32 0.208 3.845 10.238 1.00 0.00 C ATOM 0 H LEU A 32 0.718 2.664 7.522 1.00 0.00 H new ATOM 0 HA LEU A 32 0.582 5.400 8.316 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.774 3.300 8.296 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.002 4.908 8.954 1.00 0.00 H new ATOM 0 HG LEU A 32 1.921 2.585 10.210 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.027 4.038 12.217 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.489 4.187 11.212 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.242 5.456 11.163 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.135 3.494 11.211 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.033 4.902 10.127 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.288 3.276 9.452 1.00 0.00 H new ATOM 529 N ILE A 33 2.328 4.644 5.634 1.00 0.00 N ATOM 530 CA ILE A 33 2.996 5.224 4.476 1.00 0.00 C ATOM 531 C ILE A 33 1.979 5.796 3.493 1.00 0.00 C ATOM 532 O ILE A 33 2.245 6.791 2.819 1.00 0.00 O ATOM 533 CB ILE A 33 3.880 4.187 3.753 1.00 0.00 C ATOM 534 CG1 ILE A 33 4.667 4.850 2.621 1.00 0.00 C ATOM 535 CG2 ILE A 33 3.033 3.043 3.220 1.00 0.00 C ATOM 536 CD1 ILE A 33 5.770 5.765 3.107 1.00 0.00 C ATOM 0 H ILE A 33 2.221 3.630 5.598 1.00 0.00 H new ATOM 0 HA ILE A 33 3.634 6.028 4.844 1.00 0.00 H new ATOM 0 HB ILE A 33 4.591 3.779 4.471 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.101 4.075 1.989 1.00 0.00 H new ATOM 0 HG13 ILE A 33 3.980 5.422 1.998 1.00 0.00 H new ATOM 0 HG21 ILE A 33 3.674 2.321 2.713 1.00 0.00 H new ATOM 0 HG22 ILE A 33 2.520 2.554 4.048 1.00 0.00 H new ATOM 0 HG23 ILE A 33 2.297 3.432 2.516 1.00 0.00 H new ATOM 0 HD11 ILE A 33 6.286 6.200 2.251 1.00 0.00 H new ATOM 0 HD12 ILE A 33 5.341 6.561 3.715 1.00 0.00 H new ATOM 0 HD13 ILE A 33 6.479 5.194 3.706 1.00 0.00 H new ATOM 548 N ALA A 34 0.813 5.164 3.423 1.00 0.00 N ATOM 549 CA ALA A 34 -0.246 5.614 2.531 1.00 0.00 C ATOM 550 C ALA A 34 -0.848 6.922 3.028 1.00 0.00 C ATOM 551 O ALA A 34 -0.786 7.945 2.346 1.00 0.00 O ATOM 552 CB ALA A 34 -1.323 4.546 2.407 1.00 0.00 C ATOM 0 H ALA A 34 0.578 4.338 3.974 1.00 0.00 H new ATOM 0 HA ALA A 34 0.186 5.789 1.545 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -2.108 4.897 1.737 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -0.885 3.632 2.006 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -1.749 4.343 3.390 1.00 0.00 H new ATOM 558 N ASN A 35 -1.429 6.882 4.223 1.00 0.00 N ATOM 559 CA ASN A 35 -2.041 8.066 4.818 1.00 0.00 C ATOM 560 C ASN A 35 -1.035 9.213 4.917 1.00 0.00 C ATOM 561 O ASN A 35 -1.397 10.380 4.769 1.00 0.00 O ATOM 562 CB ASN A 35 -2.596 7.737 6.206 1.00 0.00 C ATOM 563 CG ASN A 35 -3.989 8.303 6.432 1.00 0.00 C ATOM 564 OD1 ASN A 35 -4.278 8.852 7.495 1.00 0.00 O ATOM 565 ND2 ASN A 35 -4.861 8.177 5.434 1.00 0.00 N ATOM 0 H ASN A 35 -1.489 6.042 4.799 1.00 0.00 H new ATOM 0 HA ASN A 35 -2.860 8.382 4.172 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -2.623 6.655 6.335 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -1.921 8.131 6.965 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -5.808 8.542 5.535 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -4.582 7.715 4.568 1.00 0.00 H new ATOM 572 N ALA A 36 0.227 8.876 5.170 1.00 0.00 N ATOM 573 CA ALA A 36 1.276 9.881 5.290 1.00 0.00 C ATOM 574 C ALA A 36 1.686 10.424 3.923 1.00 0.00 C ATOM 575 O ALA A 36 2.233 11.523 3.823 1.00 0.00 O ATOM 576 CB ALA A 36 2.483 9.300 6.011 1.00 0.00 C ATOM 0 H ALA A 36 0.546 7.915 5.296 1.00 0.00 H new ATOM 0 HA ALA A 36 0.879 10.711 5.874 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.259 10.061 6.094 1.00 0.00 H new ATOM 0 HB2 ALA A 36 2.188 8.972 7.008 1.00 0.00 H new ATOM 0 HB3 ALA A 36 2.868 8.449 5.449 1.00 0.00 H new ATOM 582 N LYS A 37 1.424 9.650 2.874 1.00 0.00 N ATOM 583 CA LYS A 37 1.772 10.061 1.518 1.00 0.00 C ATOM 584 C LYS A 37 0.579 10.697 0.810 1.00 0.00 C ATOM 585 O LYS A 37 0.740 11.603 -0.006 1.00 0.00 O ATOM 586 CB LYS A 37 2.275 8.861 0.713 1.00 0.00 C ATOM 587 CG LYS A 37 3.750 8.557 0.932 1.00 0.00 C ATOM 588 CD LYS A 37 4.506 8.468 -0.384 1.00 0.00 C ATOM 589 CE LYS A 37 4.620 9.827 -1.053 1.00 0.00 C ATOM 590 NZ LYS A 37 5.105 10.872 -0.110 1.00 0.00 N ATOM 0 H LYS A 37 0.973 8.737 2.937 1.00 0.00 H new ATOM 0 HA LYS A 37 2.565 10.806 1.588 1.00 0.00 H new ATOM 0 HB2 LYS A 37 1.688 7.983 0.980 1.00 0.00 H new ATOM 0 HB3 LYS A 37 2.104 9.048 -0.347 1.00 0.00 H new ATOM 0 HG2 LYS A 37 4.193 9.334 1.555 1.00 0.00 H new ATOM 0 HG3 LYS A 37 3.851 7.617 1.475 1.00 0.00 H new ATOM 0 HD2 LYS A 37 5.503 8.064 -0.206 1.00 0.00 H new ATOM 0 HD3 LYS A 37 3.996 7.774 -1.052 1.00 0.00 H new ATOM 0 HE2 LYS A 37 5.302 9.758 -1.900 1.00 0.00 H new ATOM 0 HE3 LYS A 37 3.648 10.119 -1.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 5.638 11.594 -0.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 4.293 11.317 0.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 5.724 10.436 0.603 1.00 0.00 H new ATOM 604 N THR A 38 -0.619 10.215 1.128 1.00 0.00 N ATOM 605 CA THR A 38 -1.837 10.738 0.521 1.00 0.00 C ATOM 606 C THR A 38 -3.003 10.686 1.503 1.00 0.00 C ATOM 607 O THR A 38 -2.877 10.145 2.601 1.00 0.00 O ATOM 608 CB THR A 38 -2.184 9.946 -0.741 1.00 0.00 C ATOM 609 OG1 THR A 38 -1.008 9.472 -1.373 1.00 0.00 O ATOM 610 CG2 THR A 38 -2.961 10.746 -1.758 1.00 0.00 C ATOM 0 H THR A 38 -0.771 9.464 1.802 1.00 0.00 H new ATOM 0 HA THR A 38 -1.659 11.779 0.252 1.00 0.00 H new ATOM 0 HB THR A 38 -2.811 9.122 -0.400 1.00 0.00 H new ATOM 0 HG1 THR A 38 -1.250 8.967 -2.177 1.00 0.00 H new ATOM 0 HG21 THR A 38 -3.173 10.123 -2.627 1.00 0.00 H new ATOM 0 HG22 THR A 38 -3.899 11.083 -1.316 1.00 0.00 H new ATOM 0 HG23 THR A 38 -2.374 11.611 -2.067 1.00 0.00 H new ATOM 618 N VAL A 39 -4.135 11.254 1.101 1.00 0.00 N ATOM 619 CA VAL A 39 -5.323 11.272 1.946 1.00 0.00 C ATOM 620 C VAL A 39 -6.587 11.022 1.124 1.00 0.00 C ATOM 621 O VAL A 39 -7.650 11.568 1.419 1.00 0.00 O ATOM 622 CB VAL A 39 -5.458 12.612 2.696 1.00 0.00 C ATOM 623 CG1 VAL A 39 -5.672 13.753 1.721 1.00 0.00 C ATOM 624 CG2 VAL A 39 -6.589 12.549 3.714 1.00 0.00 C ATOM 0 H VAL A 39 -4.255 11.708 0.195 1.00 0.00 H new ATOM 0 HA VAL A 39 -5.208 10.470 2.675 1.00 0.00 H new ATOM 0 HB VAL A 39 -4.528 12.796 3.234 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -5.765 14.689 2.271 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -4.823 13.814 1.041 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -6.583 13.577 1.149 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -6.666 13.505 4.232 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -7.528 12.336 3.202 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -6.384 11.760 4.438 1.00 0.00 H new ATOM 634 N GLU A 40 -6.460 10.195 0.092 1.00 0.00 N ATOM 635 CA GLU A 40 -7.590 9.873 -0.773 1.00 0.00 C ATOM 636 C GLU A 40 -7.183 8.876 -1.852 1.00 0.00 C ATOM 637 O GLU A 40 -6.154 9.041 -2.509 1.00 0.00 O ATOM 638 CB GLU A 40 -8.142 11.145 -1.422 1.00 0.00 C ATOM 639 CG GLU A 40 -9.650 11.122 -1.617 1.00 0.00 C ATOM 640 CD GLU A 40 -10.066 11.585 -2.998 1.00 0.00 C ATOM 641 OE1 GLU A 40 -9.728 10.898 -3.984 1.00 0.00 O ATOM 642 OE2 GLU A 40 -10.730 12.639 -3.094 1.00 0.00 O ATOM 0 H GLU A 40 -5.587 9.736 -0.166 1.00 0.00 H new ATOM 0 HA GLU A 40 -8.367 9.419 -0.158 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -7.877 12.003 -0.804 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -7.661 11.288 -2.390 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -10.019 10.110 -1.451 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -10.119 11.759 -0.867 1.00 0.00 H new ATOM 649 N GLY A 41 -7.996 7.840 -2.033 1.00 0.00 N ATOM 650 CA GLY A 41 -7.701 6.831 -3.035 1.00 0.00 C ATOM 651 C GLY A 41 -8.619 5.628 -2.934 1.00 0.00 C ATOM 652 O GLY A 41 -9.419 5.527 -2.004 1.00 0.00 O ATOM 0 H GLY A 41 -8.854 7.681 -1.504 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -7.792 7.272 -4.028 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -6.667 6.505 -2.925 1.00 0.00 H new ATOM 656 N VAL A 42 -8.495 4.710 -3.886 1.00 0.00 N ATOM 657 CA VAL A 42 -9.313 3.503 -3.895 1.00 0.00 C ATOM 658 C VAL A 42 -8.502 2.313 -3.412 1.00 0.00 C ATOM 659 O VAL A 42 -7.638 1.801 -4.127 1.00 0.00 O ATOM 660 CB VAL A 42 -9.889 3.198 -5.294 1.00 0.00 C ATOM 661 CG1 VAL A 42 -11.080 2.259 -5.186 1.00 0.00 C ATOM 662 CG2 VAL A 42 -10.282 4.485 -6.009 1.00 0.00 C ATOM 0 H VAL A 42 -7.836 4.779 -4.661 1.00 0.00 H new ATOM 0 HA VAL A 42 -10.150 3.681 -3.220 1.00 0.00 H new ATOM 0 HB VAL A 42 -9.115 2.706 -5.883 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -11.474 2.055 -6.182 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -10.766 1.325 -4.721 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -11.856 2.724 -4.578 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -10.685 4.246 -6.993 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -11.038 5.010 -5.425 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -9.404 5.121 -6.122 1.00 0.00 H new ATOM 672 N TRP A 43 -8.783 1.897 -2.187 1.00 0.00 N ATOM 673 CA TRP A 43 -8.103 0.791 -1.556 1.00 0.00 C ATOM 674 C TRP A 43 -8.484 -0.540 -2.199 1.00 0.00 C ATOM 675 O TRP A 43 -9.519 -1.123 -1.874 1.00 0.00 O ATOM 676 CB TRP A 43 -8.485 0.792 -0.081 1.00 0.00 C ATOM 677 CG TRP A 43 -7.510 1.535 0.797 1.00 0.00 C ATOM 678 CD1 TRP A 43 -7.484 2.886 1.027 1.00 0.00 C ATOM 679 CD2 TRP A 43 -6.422 0.981 1.559 1.00 0.00 C ATOM 680 NE1 TRP A 43 -6.458 3.201 1.880 1.00 0.00 N ATOM 681 CE2 TRP A 43 -5.793 2.056 2.222 1.00 0.00 C ATOM 682 CE3 TRP A 43 -5.918 -0.314 1.751 1.00 0.00 C ATOM 683 CZ2 TRP A 43 -4.695 1.883 3.055 1.00 0.00 C ATOM 684 CZ3 TRP A 43 -4.805 -0.481 2.594 1.00 0.00 C ATOM 685 CH2 TRP A 43 -4.216 0.617 3.230 1.00 0.00 C ATOM 0 H TRP A 43 -9.499 2.327 -1.601 1.00 0.00 H new ATOM 0 HA TRP A 43 -7.026 0.908 -1.678 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -9.473 1.239 0.029 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -8.561 -0.238 0.266 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -8.172 3.599 0.598 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -6.228 4.139 2.207 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -6.374 -1.163 1.263 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -4.234 2.725 3.549 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -4.400 -1.469 2.752 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -3.363 0.459 3.874 1.00 0.00 H new ATOM 696 N THR A 44 -7.641 -1.020 -3.105 1.00 0.00 N ATOM 697 CA THR A 44 -7.884 -2.285 -3.785 1.00 0.00 C ATOM 698 C THR A 44 -6.789 -3.291 -3.442 1.00 0.00 C ATOM 699 O THR A 44 -5.696 -2.907 -3.035 1.00 0.00 O ATOM 700 CB THR A 44 -7.947 -2.076 -5.299 1.00 0.00 C ATOM 701 OG1 THR A 44 -6.769 -1.443 -5.768 1.00 0.00 O ATOM 702 CG2 THR A 44 -9.126 -1.234 -5.737 1.00 0.00 C ATOM 0 H THR A 44 -6.780 -0.550 -3.386 1.00 0.00 H new ATOM 0 HA THR A 44 -8.842 -2.678 -3.446 1.00 0.00 H new ATOM 0 HB THR A 44 -8.055 -3.074 -5.724 1.00 0.00 H new ATOM 0 HG1 THR A 44 -6.828 -1.320 -6.738 1.00 0.00 H new ATOM 0 HG21 THR A 44 -9.112 -1.124 -6.821 1.00 0.00 H new ATOM 0 HG22 THR A 44 -10.053 -1.720 -5.434 1.00 0.00 H new ATOM 0 HG23 THR A 44 -9.063 -0.250 -5.272 1.00 0.00 H new ATOM 710 N TYR A 45 -7.083 -4.574 -3.612 1.00 0.00 N ATOM 711 CA TYR A 45 -6.104 -5.619 -3.321 1.00 0.00 C ATOM 712 C TYR A 45 -6.215 -6.765 -4.323 1.00 0.00 C ATOM 713 O TYR A 45 -7.306 -7.085 -4.797 1.00 0.00 O ATOM 714 CB TYR A 45 -6.263 -6.129 -1.874 1.00 0.00 C ATOM 715 CG TYR A 45 -5.907 -7.588 -1.673 1.00 0.00 C ATOM 716 CD1 TYR A 45 -6.775 -8.598 -2.065 1.00 0.00 C ATOM 717 CD2 TYR A 45 -4.702 -7.951 -1.083 1.00 0.00 C ATOM 718 CE1 TYR A 45 -6.453 -9.930 -1.877 1.00 0.00 C ATOM 719 CE2 TYR A 45 -4.373 -9.279 -0.892 1.00 0.00 C ATOM 720 CZ TYR A 45 -5.252 -10.264 -1.290 1.00 0.00 C ATOM 721 OH TYR A 45 -4.928 -11.588 -1.100 1.00 0.00 O ATOM 0 H TYR A 45 -7.984 -4.916 -3.947 1.00 0.00 H new ATOM 0 HA TYR A 45 -5.108 -5.188 -3.418 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -5.637 -5.523 -1.219 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -7.295 -5.975 -1.560 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -7.718 -8.339 -2.524 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -4.012 -7.182 -0.769 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -7.139 -10.704 -2.189 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -3.432 -9.544 -0.433 1.00 0.00 H new ATOM 0 HH TYR A 45 -5.748 -12.123 -1.063 1.00 0.00 H new ATOM 731 N LYS A 46 -5.079 -7.377 -4.637 1.00 0.00 N ATOM 732 CA LYS A 46 -5.047 -8.490 -5.578 1.00 0.00 C ATOM 733 C LYS A 46 -4.569 -9.765 -4.893 1.00 0.00 C ATOM 734 O LYS A 46 -3.616 -9.744 -4.103 1.00 0.00 O ATOM 735 CB LYS A 46 -4.140 -8.163 -6.767 1.00 0.00 C ATOM 736 CG LYS A 46 -4.481 -8.949 -8.018 1.00 0.00 C ATOM 737 CD LYS A 46 -5.236 -8.098 -9.029 1.00 0.00 C ATOM 738 CE LYS A 46 -4.300 -7.171 -9.785 1.00 0.00 C ATOM 739 NZ LYS A 46 -4.237 -7.514 -11.235 1.00 0.00 N ATOM 0 H LYS A 46 -4.169 -7.121 -4.254 1.00 0.00 H new ATOM 0 HA LYS A 46 -6.061 -8.651 -5.943 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -4.210 -7.097 -6.986 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -3.105 -8.364 -6.491 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -3.565 -9.326 -8.472 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -5.084 -9.816 -7.750 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -5.757 -8.745 -9.734 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -5.996 -7.510 -8.515 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -4.636 -6.141 -9.669 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -3.301 -7.231 -9.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -3.589 -6.860 -11.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -3.892 -8.489 -11.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -5.186 -7.432 -11.653 1.00 0.00 H new ATOM 753 N ASP A 47 -5.245 -10.871 -5.203 1.00 0.00 N ATOM 754 CA ASP A 47 -4.913 -12.169 -4.629 1.00 0.00 C ATOM 755 C ASP A 47 -3.878 -12.895 -5.483 1.00 0.00 C ATOM 756 O ASP A 47 -4.104 -13.150 -6.661 1.00 0.00 O ATOM 757 CB ASP A 47 -6.173 -13.026 -4.492 1.00 0.00 C ATOM 758 CG ASP A 47 -6.646 -13.135 -3.055 1.00 0.00 C ATOM 759 OD1 ASP A 47 -5.859 -13.605 -2.207 1.00 0.00 O ATOM 760 OD2 ASP A 47 -7.803 -12.752 -2.781 1.00 0.00 O ATOM 0 H ASP A 47 -6.031 -10.890 -5.853 1.00 0.00 H new ATOM 0 HA ASP A 47 -4.486 -12.002 -3.640 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -6.968 -12.597 -5.102 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -5.974 -14.024 -4.883 1.00 0.00 H new ATOM 765 N GLU A 48 -2.748 -13.220 -4.867 1.00 0.00 N ATOM 766 CA GLU A 48 -1.654 -13.919 -5.539 1.00 0.00 C ATOM 767 C GLU A 48 -0.377 -13.810 -4.719 1.00 0.00 C ATOM 768 O GLU A 48 0.158 -14.812 -4.245 1.00 0.00 O ATOM 769 CB GLU A 48 -1.418 -13.362 -6.957 1.00 0.00 C ATOM 770 CG GLU A 48 -1.468 -11.843 -7.043 1.00 0.00 C ATOM 771 CD GLU A 48 -2.148 -11.356 -8.312 1.00 0.00 C ATOM 772 OE1 GLU A 48 -3.353 -11.635 -8.480 1.00 0.00 O ATOM 773 OE2 GLU A 48 -1.476 -10.691 -9.125 1.00 0.00 O ATOM 0 H GLU A 48 -2.562 -13.007 -3.887 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.935 -14.968 -5.630 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -0.446 -13.704 -7.313 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.168 -13.778 -7.629 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -1.999 -11.450 -6.176 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -0.454 -11.446 -7.002 1.00 0.00 H new ATOM 780 N ILE A 49 0.093 -12.581 -4.534 1.00 0.00 N ATOM 781 CA ILE A 49 1.290 -12.327 -3.748 1.00 0.00 C ATOM 782 C ILE A 49 1.002 -11.299 -2.656 1.00 0.00 C ATOM 783 O ILE A 49 1.918 -10.673 -2.123 1.00 0.00 O ATOM 784 CB ILE A 49 2.449 -11.820 -4.627 1.00 0.00 C ATOM 785 CG1 ILE A 49 2.588 -12.688 -5.873 1.00 0.00 C ATOM 786 CG2 ILE A 49 3.751 -11.806 -3.836 1.00 0.00 C ATOM 787 CD1 ILE A 49 3.505 -12.096 -6.922 1.00 0.00 C ATOM 0 H ILE A 49 -0.341 -11.743 -4.921 1.00 0.00 H new ATOM 0 HA ILE A 49 1.586 -13.273 -3.295 1.00 0.00 H new ATOM 0 HB ILE A 49 2.227 -10.800 -4.940 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.966 -13.668 -5.583 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.602 -12.843 -6.310 1.00 0.00 H new ATOM 0 HG21 ILE A 49 4.559 -11.445 -4.472 1.00 0.00 H new ATOM 0 HG22 ILE A 49 3.646 -11.147 -2.974 1.00 0.00 H new ATOM 0 HG23 ILE A 49 3.981 -12.816 -3.495 1.00 0.00 H new ATOM 0 HD11 ILE A 49 3.557 -12.766 -7.780 1.00 0.00 H new ATOM 0 HD12 ILE A 49 3.117 -11.128 -7.240 1.00 0.00 H new ATOM 0 HD13 ILE A 49 4.502 -11.966 -6.502 1.00 0.00 H new ATOM 799 N LYS A 50 -0.280 -11.132 -2.330 1.00 0.00 N ATOM 800 CA LYS A 50 -0.688 -10.179 -1.304 1.00 0.00 C ATOM 801 C LYS A 50 -0.304 -8.760 -1.702 1.00 0.00 C ATOM 802 O LYS A 50 0.791 -8.295 -1.385 1.00 0.00 O ATOM 803 CB LYS A 50 -0.045 -10.543 0.035 1.00 0.00 C ATOM 804 CG LYS A 50 -0.975 -11.292 0.976 1.00 0.00 C ATOM 805 CD LYS A 50 -1.583 -12.513 0.306 1.00 0.00 C ATOM 806 CE LYS A 50 -0.547 -13.605 0.095 1.00 0.00 C ATOM 807 NZ LYS A 50 -0.810 -14.390 -1.143 1.00 0.00 N ATOM 0 H LYS A 50 -1.050 -11.644 -2.761 1.00 0.00 H new ATOM 0 HA LYS A 50 -1.772 -10.225 -1.202 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.839 -11.154 -0.150 1.00 0.00 H new ATOM 0 HB3 LYS A 50 0.295 -9.630 0.525 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -0.424 -11.600 1.864 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -1.770 -10.625 1.310 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -2.399 -12.897 0.918 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -2.012 -12.227 -0.654 1.00 0.00 H new ATOM 0 HE2 LYS A 50 0.445 -13.157 0.037 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -0.545 -14.274 0.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -0.081 -15.124 -1.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -1.746 -14.838 -1.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -0.787 -13.756 -1.967 1.00 0.00 H new ATOM 821 N THR A 51 -1.202 -8.067 -2.402 1.00 0.00 N ATOM 822 CA THR A 51 -0.912 -6.701 -2.826 1.00 0.00 C ATOM 823 C THR A 51 -2.136 -5.798 -2.733 1.00 0.00 C ATOM 824 O THR A 51 -3.260 -6.219 -3.004 1.00 0.00 O ATOM 825 CB THR A 51 -0.366 -6.694 -4.256 1.00 0.00 C ATOM 826 OG1 THR A 51 0.068 -5.395 -4.619 1.00 0.00 O ATOM 827 CG2 THR A 51 -1.373 -7.147 -5.288 1.00 0.00 C ATOM 0 H THR A 51 -2.117 -8.421 -2.682 1.00 0.00 H new ATOM 0 HA THR A 51 -0.158 -6.305 -2.145 1.00 0.00 H new ATOM 0 HB THR A 51 0.463 -7.402 -4.250 1.00 0.00 H new ATOM 0 HG1 THR A 51 0.343 -4.906 -3.816 1.00 0.00 H new ATOM 0 HG21 THR A 51 -0.918 -7.117 -6.278 1.00 0.00 H new ATOM 0 HG22 THR A 51 -1.689 -8.166 -5.065 1.00 0.00 H new ATOM 0 HG23 THR A 51 -2.239 -6.485 -5.266 1.00 0.00 H new ATOM 835 N PHE A 52 -1.893 -4.545 -2.355 1.00 0.00 N ATOM 836 CA PHE A 52 -2.953 -3.551 -2.230 1.00 0.00 C ATOM 837 C PHE A 52 -2.591 -2.293 -3.012 1.00 0.00 C ATOM 838 O PHE A 52 -1.419 -2.037 -3.280 1.00 0.00 O ATOM 839 CB PHE A 52 -3.194 -3.192 -0.760 1.00 0.00 C ATOM 840 CG PHE A 52 -3.032 -4.345 0.191 1.00 0.00 C ATOM 841 CD1 PHE A 52 -1.769 -4.784 0.559 1.00 0.00 C ATOM 842 CD2 PHE A 52 -4.140 -4.984 0.721 1.00 0.00 C ATOM 843 CE1 PHE A 52 -1.617 -5.841 1.437 1.00 0.00 C ATOM 844 CE2 PHE A 52 -3.994 -6.043 1.599 1.00 0.00 C ATOM 845 CZ PHE A 52 -2.731 -6.471 1.958 1.00 0.00 C ATOM 0 H PHE A 52 -0.963 -4.193 -2.129 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.868 -3.979 -2.639 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -2.503 -2.399 -0.473 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -4.202 -2.789 -0.657 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -0.895 -4.295 0.155 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -5.130 -4.652 0.446 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -0.628 -6.174 1.716 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -4.867 -6.534 2.003 1.00 0.00 H new ATOM 0 HZ PHE A 52 -2.614 -7.296 2.645 1.00 0.00 H new ATOM 855 N THR A 53 -3.597 -1.510 -3.382 1.00 0.00 N ATOM 856 CA THR A 53 -3.361 -0.284 -4.133 1.00 0.00 C ATOM 857 C THR A 53 -4.376 0.794 -3.757 1.00 0.00 C ATOM 858 O THR A 53 -5.512 0.492 -3.394 1.00 0.00 O ATOM 859 CB THR A 53 -3.423 -0.569 -5.641 1.00 0.00 C ATOM 860 OG1 THR A 53 -2.417 -1.493 -6.016 1.00 0.00 O ATOM 861 CG2 THR A 53 -3.262 0.664 -6.518 1.00 0.00 C ATOM 0 H THR A 53 -4.578 -1.700 -3.176 1.00 0.00 H new ATOM 0 HA THR A 53 -2.367 0.085 -3.880 1.00 0.00 H new ATOM 0 HB THR A 53 -4.423 -0.970 -5.805 1.00 0.00 H new ATOM 0 HG1 THR A 53 -2.256 -1.427 -6.980 1.00 0.00 H new ATOM 0 HG21 THR A 53 -3.318 0.374 -7.567 1.00 0.00 H new ATOM 0 HG22 THR A 53 -4.057 1.375 -6.295 1.00 0.00 H new ATOM 0 HG23 THR A 53 -2.295 1.127 -6.321 1.00 0.00 H new ATOM 869 N VAL A 54 -3.959 2.051 -3.864 1.00 0.00 N ATOM 870 CA VAL A 54 -4.831 3.178 -3.553 1.00 0.00 C ATOM 871 C VAL A 54 -4.797 4.203 -4.688 1.00 0.00 C ATOM 872 O VAL A 54 -3.838 4.961 -4.839 1.00 0.00 O ATOM 873 CB VAL A 54 -4.461 3.829 -2.189 1.00 0.00 C ATOM 874 CG1 VAL A 54 -3.527 5.026 -2.342 1.00 0.00 C ATOM 875 CG2 VAL A 54 -5.723 4.236 -1.444 1.00 0.00 C ATOM 0 H VAL A 54 -3.021 2.315 -4.164 1.00 0.00 H new ATOM 0 HA VAL A 54 -5.850 2.803 -3.460 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.921 3.078 -1.612 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.303 5.440 -1.359 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.602 4.706 -2.821 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -4.009 5.787 -2.955 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.452 4.690 -0.491 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -6.283 4.954 -2.042 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -6.339 3.355 -1.264 1.00 0.00 H new ATOM 885 N THR A 55 -5.845 4.201 -5.503 1.00 0.00 N ATOM 886 CA THR A 55 -5.933 5.115 -6.639 1.00 0.00 C ATOM 887 C THR A 55 -6.822 6.312 -6.321 1.00 0.00 C ATOM 888 O THR A 55 -7.984 6.155 -5.948 1.00 0.00 O ATOM 889 CB THR A 55 -6.472 4.380 -7.867 1.00 0.00 C ATOM 890 OG1 THR A 55 -5.840 3.121 -8.017 1.00 0.00 O ATOM 891 CG2 THR A 55 -6.276 5.148 -9.156 1.00 0.00 C ATOM 0 H THR A 55 -6.646 3.578 -5.400 1.00 0.00 H new ATOM 0 HA THR A 55 -4.929 5.483 -6.849 1.00 0.00 H new ATOM 0 HB THR A 55 -7.541 4.265 -7.689 1.00 0.00 H new ATOM 0 HG1 THR A 55 -6.200 2.666 -8.807 1.00 0.00 H new ATOM 0 HG21 THR A 55 -6.680 4.571 -9.988 1.00 0.00 H new ATOM 0 HG22 THR A 55 -6.794 6.105 -9.092 1.00 0.00 H new ATOM 0 HG23 THR A 55 -5.212 5.322 -9.318 1.00 0.00 H new ATOM 899 N GLU A 56 -6.268 7.511 -6.476 1.00 0.00 N ATOM 900 CA GLU A 56 -7.012 8.737 -6.209 1.00 0.00 C ATOM 901 C GLU A 56 -7.586 9.310 -7.500 1.00 0.00 C ATOM 902 O GLU A 56 -8.383 10.264 -7.416 1.00 0.00 O ATOM 903 CB GLU A 56 -6.108 9.760 -5.497 1.00 0.00 C ATOM 904 CG GLU A 56 -5.658 10.921 -6.368 1.00 0.00 C ATOM 905 CD GLU A 56 -4.879 11.963 -5.588 1.00 0.00 C ATOM 906 OE1 GLU A 56 -3.998 11.577 -4.794 1.00 0.00 O ATOM 907 OE2 GLU A 56 -5.150 13.175 -5.775 1.00 0.00 O ATOM 908 OXT GLU A 56 -7.233 8.797 -8.584 1.00 0.00 O ATOM 0 H GLU A 56 -5.307 7.659 -6.785 1.00 0.00 H new ATOM 0 HA GLU A 56 -7.849 8.505 -5.550 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -6.641 10.157 -4.633 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -5.226 9.244 -5.118 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -5.039 10.542 -7.181 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -6.531 11.389 -6.823 1.00 0.00 H new