USER MOD reduce.3.24.130724 H: found=0, std=0, add=535, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 538 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 89 THR OG1 : rot 80:sc= 0.962 USER MOD Set 1.2: A 90 HIS : no HD1:sc= 0.388 K(o=1.4,f=-7.3!) USER MOD Set 2.1: A 50 LYS NZ :NH3+ 144:sc= 1.36 (180deg=-0.00715) USER MOD Set 2.2: A 73 TYR OH : rot -103:sc= 2.17 USER MOD Set 3.1: A 23 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 80 TYR OH : rot 43:sc= 0.00667 USER MOD Single : A 2 THR OG1 : rot -100:sc= 1.09 USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 ASN : amide:sc= 0.241 X(o=0.24,f=-0.18) USER MOD Single : A 6 LYS NZ :NH3+ 162:sc= 1.29 (180deg=1.15) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.0359 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 CYS SG : rot 94:sc= -0.961 USER MOD Single : A 27 GLN : amide:sc= 2.03 K(o=2,f=-0.25) USER MOD Single : A 53 SER OG : rot 180:sc= 0.232 USER MOD Single : A 55 SER OG : rot -4:sc= 0.537 USER MOD Single : A 58 GLN : amide:sc= -2.28 X(o=-2.3,f=-2.6) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= 0.902 K(o=0.9,f=-4.7!) USER MOD Single : A 69 MET CE :methyl -159:sc= 0 (180deg=-0.302) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0.00221 USER MOD Single : A 83 SER OG : rot 8:sc= 0.646 USER MOD Single : A 91 LYS NZ :NH3+ 156:sc= 2.35 (180deg=0.873) USER MOD ----------------------------------------------------------------- ATOM 12 N THR A 2 14.636 -4.069 -1.542 1.00 0.00 N ATOM 13 CA THR A 2 14.006 -4.872 -2.601 1.00 0.00 C ATOM 14 C THR A 2 13.407 -6.195 -2.107 1.00 0.00 C ATOM 15 O THR A 2 14.046 -7.246 -2.150 1.00 0.00 O ATOM 16 CB THR A 2 14.944 -4.984 -3.810 1.00 0.00 C ATOM 17 OG1 THR A 2 15.466 -3.694 -4.054 1.00 0.00 O ATOM 18 CG2 THR A 2 14.224 -5.477 -5.068 1.00 0.00 C ATOM 0 HA THR A 2 13.120 -4.340 -2.948 1.00 0.00 H new ATOM 0 HB THR A 2 15.724 -5.711 -3.584 1.00 0.00 H new ATOM 0 HG1 THR A 2 14.971 -3.274 -4.788 1.00 0.00 H new ATOM 0 HG21 THR A 2 14.934 -5.538 -5.893 1.00 0.00 H new ATOM 0 HG22 THR A 2 13.799 -6.463 -4.881 1.00 0.00 H new ATOM 0 HG23 THR A 2 13.426 -4.781 -5.327 1.00 0.00 H new ATOM 26 N TYR A 3 12.140 -6.139 -1.678 1.00 0.00 N ATOM 27 CA TYR A 3 11.438 -7.210 -0.980 1.00 0.00 C ATOM 28 C TYR A 3 10.243 -7.713 -1.784 1.00 0.00 C ATOM 29 O TYR A 3 9.734 -7.019 -2.660 1.00 0.00 O ATOM 30 CB TYR A 3 10.960 -6.702 0.381 1.00 0.00 C ATOM 31 CG TYR A 3 12.107 -6.301 1.286 1.00 0.00 C ATOM 32 CD1 TYR A 3 12.777 -7.277 2.045 1.00 0.00 C ATOM 33 CD2 TYR A 3 12.590 -4.979 1.268 1.00 0.00 C ATOM 34 CE1 TYR A 3 13.837 -6.906 2.891 1.00 0.00 C ATOM 35 CE2 TYR A 3 13.696 -4.628 2.058 1.00 0.00 C ATOM 36 CZ TYR A 3 14.270 -5.570 2.923 1.00 0.00 C ATOM 37 OH TYR A 3 15.290 -5.191 3.745 1.00 0.00 O ATOM 0 H TYR A 3 11.558 -5.313 -1.815 1.00 0.00 H new ATOM 0 HA TYR A 3 12.131 -8.041 -0.850 1.00 0.00 H new ATOM 0 HB2 TYR A 3 10.301 -5.846 0.235 1.00 0.00 H new ATOM 0 HB3 TYR A 3 10.371 -7.479 0.869 1.00 0.00 H new ATOM 0 HD1 TYR A 3 12.477 -8.312 1.978 1.00 0.00 H new ATOM 0 HD2 TYR A 3 12.111 -4.236 0.648 1.00 0.00 H new ATOM 0 HE1 TYR A 3 14.317 -7.646 3.514 1.00 0.00 H new ATOM 0 HE2 TYR A 3 14.105 -3.630 1.999 1.00 0.00 H new ATOM 0 HH TYR A 3 15.458 -4.232 3.637 1.00 0.00 H new ATOM 47 N ASN A 4 9.818 -8.937 -1.467 1.00 0.00 N ATOM 48 CA ASN A 4 8.663 -9.628 -1.989 1.00 0.00 C ATOM 49 C ASN A 4 7.404 -8.958 -1.451 1.00 0.00 C ATOM 50 O ASN A 4 7.028 -9.186 -0.301 1.00 0.00 O ATOM 51 CB ASN A 4 8.774 -11.086 -1.514 1.00 0.00 C ATOM 52 CG ASN A 4 7.563 -11.955 -1.822 1.00 0.00 C ATOM 53 OD1 ASN A 4 7.373 -12.989 -1.190 1.00 0.00 O ATOM 54 ND2 ASN A 4 6.771 -11.572 -2.811 1.00 0.00 N ATOM 0 H ASN A 4 10.319 -9.506 -0.784 1.00 0.00 H new ATOM 0 HA ASN A 4 8.614 -9.596 -3.077 1.00 0.00 H new ATOM 0 HB2 ASN A 4 9.653 -11.537 -1.975 1.00 0.00 H new ATOM 0 HB3 ASN A 4 8.941 -11.090 -0.437 1.00 0.00 H new ATOM 0 HD21 ASN A 4 5.968 -12.144 -3.072 1.00 0.00 H new ATOM 0 HD22 ASN A 4 6.964 -10.705 -3.312 1.00 0.00 H new ATOM 61 N VAL A 5 6.764 -8.135 -2.280 1.00 0.00 N ATOM 62 CA VAL A 5 5.486 -7.532 -1.941 1.00 0.00 C ATOM 63 C VAL A 5 4.371 -8.179 -2.747 1.00 0.00 C ATOM 64 O VAL A 5 4.420 -8.163 -3.976 1.00 0.00 O ATOM 65 CB VAL A 5 5.488 -6.021 -2.169 1.00 0.00 C ATOM 66 CG1 VAL A 5 4.201 -5.417 -1.581 1.00 0.00 C ATOM 67 CG2 VAL A 5 6.703 -5.397 -1.483 1.00 0.00 C ATOM 0 H VAL A 5 7.118 -7.872 -3.199 1.00 0.00 H new ATOM 0 HA VAL A 5 5.314 -7.705 -0.879 1.00 0.00 H new ATOM 0 HB VAL A 5 5.535 -5.816 -3.239 1.00 0.00 H new ATOM 0 HG11 VAL A 5 4.199 -4.339 -1.742 1.00 0.00 H new ATOM 0 HG12 VAL A 5 3.334 -5.859 -2.072 1.00 0.00 H new ATOM 0 HG13 VAL A 5 4.157 -5.625 -0.512 1.00 0.00 H new ATOM 0 HG21 VAL A 5 6.701 -4.320 -1.648 1.00 0.00 H new ATOM 0 HG22 VAL A 5 6.661 -5.600 -0.413 1.00 0.00 H new ATOM 0 HG23 VAL A 5 7.615 -5.826 -1.898 1.00 0.00 H new ATOM 77 N LYS A 6 3.340 -8.695 -2.072 1.00 0.00 N ATOM 78 CA LYS A 6 2.101 -9.046 -2.731 1.00 0.00 C ATOM 79 C LYS A 6 1.066 -7.940 -2.607 1.00 0.00 C ATOM 80 O LYS A 6 0.797 -7.465 -1.501 1.00 0.00 O ATOM 81 CB LYS A 6 1.560 -10.332 -2.136 1.00 0.00 C ATOM 82 CG LYS A 6 0.311 -10.736 -2.925 1.00 0.00 C ATOM 83 CD LYS A 6 -0.350 -11.970 -2.343 1.00 0.00 C ATOM 84 CE LYS A 6 0.647 -13.126 -2.319 1.00 0.00 C ATOM 85 NZ LYS A 6 -0.045 -14.415 -2.505 1.00 0.00 N ATOM 0 H LYS A 6 3.349 -8.875 -1.068 1.00 0.00 H new ATOM 0 HA LYS A 6 2.308 -9.186 -3.792 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.312 -11.120 -2.185 1.00 0.00 H new ATOM 0 HB3 LYS A 6 1.315 -10.190 -1.083 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -0.400 -9.910 -2.927 1.00 0.00 H new ATOM 0 HG3 LYS A 6 0.583 -10.925 -3.963 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -0.705 -11.762 -1.333 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -1.222 -12.242 -2.938 1.00 0.00 H new ATOM 0 HE2 LYS A 6 1.389 -12.989 -3.106 1.00 0.00 H new ATOM 0 HE3 LYS A 6 1.185 -13.130 -1.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 0.644 -15.141 -2.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -0.498 -14.698 -1.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -0.769 -14.317 -3.245 1.00 0.00 H new ATOM 99 N LEU A 7 0.423 -7.627 -3.738 1.00 0.00 N ATOM 100 CA LEU A 7 -0.761 -6.798 -3.800 1.00 0.00 C ATOM 101 C LEU A 7 -1.949 -7.668 -4.143 1.00 0.00 C ATOM 102 O LEU A 7 -2.069 -8.074 -5.290 1.00 0.00 O ATOM 103 CB LEU A 7 -0.541 -5.715 -4.852 1.00 0.00 C ATOM 104 CG LEU A 7 0.690 -4.850 -4.572 1.00 0.00 C ATOM 105 CD1 LEU A 7 0.682 -3.691 -5.558 1.00 0.00 C ATOM 106 CD2 LEU A 7 0.755 -4.303 -3.149 1.00 0.00 C ATOM 0 H LEU A 7 0.729 -7.958 -4.653 1.00 0.00 H new ATOM 0 HA LEU A 7 -0.955 -6.317 -2.841 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -0.434 -6.183 -5.831 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -1.424 -5.077 -4.899 1.00 0.00 H new ATOM 0 HG LEU A 7 1.568 -5.485 -4.688 1.00 0.00 H new ATOM 0 HD11 LEU A 7 1.550 -3.057 -5.381 1.00 0.00 H new ATOM 0 HD12 LEU A 7 0.718 -4.079 -6.576 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -0.228 -3.106 -5.424 1.00 0.00 H new ATOM 0 HD21 LEU A 7 1.656 -3.701 -3.031 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.122 -3.685 -2.956 1.00 0.00 H new ATOM 0 HD23 LEU A 7 0.777 -5.132 -2.441 1.00 0.00 H new ATOM 118 N ILE A 8 -2.835 -7.951 -3.184 1.00 0.00 N ATOM 119 CA ILE A 8 -4.115 -8.559 -3.495 1.00 0.00 C ATOM 120 C ILE A 8 -4.956 -7.451 -4.124 1.00 0.00 C ATOM 121 O ILE A 8 -5.461 -6.556 -3.444 1.00 0.00 O ATOM 122 CB ILE A 8 -4.712 -9.226 -2.244 1.00 0.00 C ATOM 123 CG1 ILE A 8 -3.861 -10.444 -1.846 1.00 0.00 C ATOM 124 CG2 ILE A 8 -6.178 -9.631 -2.468 1.00 0.00 C ATOM 125 CD1 ILE A 8 -4.314 -11.115 -0.548 1.00 0.00 C ATOM 0 H ILE A 8 -2.683 -7.767 -2.192 1.00 0.00 H new ATOM 0 HA ILE A 8 -4.049 -9.382 -4.207 1.00 0.00 H new ATOM 0 HB ILE A 8 -4.698 -8.502 -1.429 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -3.892 -11.176 -2.653 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -2.822 -10.131 -1.739 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -6.568 -10.099 -1.564 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -6.769 -8.745 -2.702 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -6.238 -10.336 -3.297 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -3.667 -11.965 -0.333 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -4.256 -10.398 0.271 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -5.342 -11.460 -0.656 1.00 0.00 H new ATOM 137 N THR A 9 -5.022 -7.469 -5.452 1.00 0.00 N ATOM 138 CA THR A 9 -5.835 -6.582 -6.252 1.00 0.00 C ATOM 139 C THR A 9 -7.116 -7.318 -6.651 1.00 0.00 C ATOM 140 O THR A 9 -7.074 -8.545 -6.772 1.00 0.00 O ATOM 141 CB THR A 9 -5.053 -6.231 -7.512 1.00 0.00 C ATOM 142 OG1 THR A 9 -4.645 -7.428 -8.150 1.00 0.00 O ATOM 143 CG2 THR A 9 -3.753 -5.501 -7.198 1.00 0.00 C ATOM 0 H THR A 9 -4.487 -8.131 -6.014 1.00 0.00 H new ATOM 0 HA THR A 9 -6.084 -5.679 -5.694 1.00 0.00 H new ATOM 0 HB THR A 9 -5.709 -5.608 -8.120 1.00 0.00 H new ATOM 0 HG1 THR A 9 -4.143 -7.211 -8.963 1.00 0.00 H new ATOM 0 HG21 THR A 9 -3.231 -5.272 -8.127 1.00 0.00 H new ATOM 0 HG22 THR A 9 -3.975 -4.574 -6.668 1.00 0.00 H new ATOM 0 HG23 THR A 9 -3.122 -6.134 -6.574 1.00 0.00 H new ATOM 151 N PRO A 10 -8.212 -6.599 -6.942 1.00 0.00 N ATOM 152 CA PRO A 10 -9.479 -7.180 -7.359 1.00 0.00 C ATOM 153 C PRO A 10 -9.326 -8.086 -8.585 1.00 0.00 C ATOM 154 O PRO A 10 -10.007 -9.101 -8.707 1.00 0.00 O ATOM 155 CB PRO A 10 -10.411 -6.012 -7.652 1.00 0.00 C ATOM 156 CG PRO A 10 -9.768 -4.806 -7.002 1.00 0.00 C ATOM 157 CD PRO A 10 -8.300 -5.154 -6.908 1.00 0.00 C ATOM 0 HA PRO A 10 -9.878 -7.820 -6.573 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -10.528 -5.863 -8.725 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -11.406 -6.193 -7.245 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -9.924 -3.906 -7.597 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -10.193 -4.614 -6.017 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -7.744 -4.713 -7.735 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -7.867 -4.761 -5.988 1.00 0.00 H new ATOM 165 N ASP A 11 -8.405 -7.704 -9.474 1.00 0.00 N ATOM 166 CA ASP A 11 -7.978 -8.418 -10.667 1.00 0.00 C ATOM 167 C ASP A 11 -7.617 -9.859 -10.344 1.00 0.00 C ATOM 168 O ASP A 11 -7.823 -10.763 -11.151 1.00 0.00 O ATOM 169 CB ASP A 11 -6.736 -7.705 -11.214 1.00 0.00 C ATOM 170 CG ASP A 11 -7.125 -6.432 -11.943 1.00 0.00 C ATOM 171 OD1 ASP A 11 -7.425 -5.464 -11.211 1.00 0.00 O ATOM 172 OD2 ASP A 11 -7.135 -6.462 -13.192 1.00 0.00 O ATOM 0 H ASP A 11 -7.905 -6.822 -9.365 1.00 0.00 H new ATOM 0 HA ASP A 11 -8.790 -8.427 -11.395 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -6.057 -7.468 -10.395 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -6.199 -8.368 -11.892 1.00 0.00 H new ATOM 177 N GLY A 12 -7.054 -10.046 -9.152 1.00 0.00 N ATOM 178 CA GLY A 12 -6.702 -11.325 -8.598 1.00 0.00 C ATOM 179 C GLY A 12 -5.194 -11.400 -8.402 1.00 0.00 C ATOM 180 O GLY A 12 -4.533 -12.219 -9.036 1.00 0.00 O ATOM 0 H GLY A 12 -6.827 -9.270 -8.530 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -7.210 -11.472 -7.645 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -7.033 -12.124 -9.262 1.00 0.00 H new ATOM 184 N GLU A 13 -4.689 -10.540 -7.507 1.00 0.00 N ATOM 185 CA GLU A 13 -3.309 -10.451 -7.053 1.00 0.00 C ATOM 186 C GLU A 13 -2.340 -9.932 -8.109 1.00 0.00 C ATOM 187 O GLU A 13 -2.487 -10.158 -9.307 1.00 0.00 O ATOM 188 CB GLU A 13 -2.804 -11.791 -6.516 1.00 0.00 C ATOM 189 CG GLU A 13 -3.282 -12.083 -5.097 1.00 0.00 C ATOM 190 CD GLU A 13 -3.098 -13.552 -4.703 1.00 0.00 C ATOM 191 OE1 GLU A 13 -1.991 -13.911 -4.235 1.00 0.00 O ATOM 192 OE2 GLU A 13 -4.085 -14.298 -4.852 1.00 0.00 O ATOM 0 H GLU A 13 -5.281 -9.843 -7.055 1.00 0.00 H new ATOM 0 HA GLU A 13 -3.331 -9.716 -6.248 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -3.138 -12.590 -7.178 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -1.714 -11.796 -6.535 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -2.735 -11.452 -4.396 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -4.335 -11.817 -5.011 1.00 0.00 H new ATOM 199 N VAL A 14 -1.278 -9.302 -7.607 1.00 0.00 N ATOM 200 CA VAL A 14 -0.056 -9.055 -8.333 1.00 0.00 C ATOM 201 C VAL A 14 1.091 -8.986 -7.326 1.00 0.00 C ATOM 202 O VAL A 14 1.147 -8.104 -6.469 1.00 0.00 O ATOM 203 CB VAL A 14 -0.211 -7.829 -9.236 1.00 0.00 C ATOM 204 CG1 VAL A 14 -0.485 -6.516 -8.507 1.00 0.00 C ATOM 205 CG2 VAL A 14 0.985 -7.697 -10.177 1.00 0.00 C ATOM 0 H VAL A 14 -1.255 -8.943 -6.653 1.00 0.00 H new ATOM 0 HA VAL A 14 0.182 -9.866 -9.021 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.115 -8.016 -9.815 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.579 -5.709 -9.234 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -1.411 -6.602 -7.939 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.339 -6.298 -7.827 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.855 -6.819 -10.810 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.898 -7.590 -9.592 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.057 -8.587 -10.802 1.00 0.00 H new ATOM 215 N GLU A 15 1.965 -9.987 -7.383 1.00 0.00 N ATOM 216 CA GLU A 15 3.184 -10.062 -6.606 1.00 0.00 C ATOM 217 C GLU A 15 4.323 -9.409 -7.382 1.00 0.00 C ATOM 218 O GLU A 15 4.422 -9.585 -8.595 1.00 0.00 O ATOM 219 CB GLU A 15 3.462 -11.537 -6.276 1.00 0.00 C ATOM 220 CG GLU A 15 3.922 -11.675 -4.826 1.00 0.00 C ATOM 221 CD GLU A 15 4.046 -13.124 -4.380 1.00 0.00 C ATOM 222 OE1 GLU A 15 3.059 -13.871 -4.553 1.00 0.00 O ATOM 223 OE2 GLU A 15 5.117 -13.435 -3.820 1.00 0.00 O ATOM 0 H GLU A 15 1.833 -10.793 -7.995 1.00 0.00 H new ATOM 0 HA GLU A 15 3.087 -9.519 -5.666 1.00 0.00 H new ATOM 0 HB2 GLU A 15 2.561 -12.129 -6.437 1.00 0.00 H new ATOM 0 HB3 GLU A 15 4.226 -11.930 -6.947 1.00 0.00 H new ATOM 0 HG2 GLU A 15 4.886 -11.180 -4.707 1.00 0.00 H new ATOM 0 HG3 GLU A 15 3.216 -11.159 -4.175 1.00 0.00 H new ATOM 230 N PHE A 16 5.162 -8.635 -6.690 1.00 0.00 N ATOM 231 CA PHE A 16 6.271 -7.911 -7.293 1.00 0.00 C ATOM 232 C PHE A 16 7.385 -7.627 -6.285 1.00 0.00 C ATOM 233 O PHE A 16 7.229 -7.888 -5.088 1.00 0.00 O ATOM 234 CB PHE A 16 5.791 -6.686 -8.068 1.00 0.00 C ATOM 235 CG PHE A 16 5.540 -5.474 -7.217 1.00 0.00 C ATOM 236 CD1 PHE A 16 4.558 -5.516 -6.218 1.00 0.00 C ATOM 237 CD2 PHE A 16 6.358 -4.342 -7.349 1.00 0.00 C ATOM 238 CE1 PHE A 16 4.387 -4.419 -5.370 1.00 0.00 C ATOM 239 CE2 PHE A 16 6.142 -3.225 -6.541 1.00 0.00 C ATOM 240 CZ PHE A 16 5.131 -3.244 -5.568 1.00 0.00 C ATOM 0 H PHE A 16 5.085 -8.495 -5.683 1.00 0.00 H new ATOM 0 HA PHE A 16 6.730 -8.558 -8.040 1.00 0.00 H new ATOM 0 HB2 PHE A 16 6.534 -6.436 -8.825 1.00 0.00 H new ATOM 0 HB3 PHE A 16 4.872 -6.942 -8.595 1.00 0.00 H new ATOM 0 HD1 PHE A 16 3.937 -6.392 -6.104 1.00 0.00 H new ATOM 0 HD2 PHE A 16 7.156 -4.335 -8.077 1.00 0.00 H new ATOM 0 HE1 PHE A 16 3.678 -4.475 -4.557 1.00 0.00 H new ATOM 0 HE2 PHE A 16 6.754 -2.344 -6.665 1.00 0.00 H new ATOM 0 HZ PHE A 16 4.927 -2.363 -4.977 1.00 0.00 H new ATOM 250 N LYS A 17 8.533 -7.148 -6.779 1.00 0.00 N ATOM 251 CA LYS A 17 9.646 -6.741 -5.941 1.00 0.00 C ATOM 252 C LYS A 17 9.564 -5.239 -5.731 1.00 0.00 C ATOM 253 O LYS A 17 9.591 -4.475 -6.693 1.00 0.00 O ATOM 254 CB LYS A 17 10.991 -7.143 -6.563 1.00 0.00 C ATOM 255 CG LYS A 17 11.806 -8.044 -5.626 1.00 0.00 C ATOM 256 CD LYS A 17 11.040 -9.334 -5.310 1.00 0.00 C ATOM 257 CE LYS A 17 11.921 -10.587 -5.408 1.00 0.00 C ATOM 258 NZ LYS A 17 13.029 -10.569 -4.427 1.00 0.00 N ATOM 0 H LYS A 17 8.708 -7.035 -7.778 1.00 0.00 H new ATOM 0 HA LYS A 17 9.583 -7.250 -4.979 1.00 0.00 H new ATOM 0 HB2 LYS A 17 10.815 -7.663 -7.505 1.00 0.00 H new ATOM 0 HB3 LYS A 17 11.566 -6.247 -6.796 1.00 0.00 H new ATOM 0 HG2 LYS A 17 12.762 -8.288 -6.089 1.00 0.00 H new ATOM 0 HG3 LYS A 17 12.026 -7.510 -4.701 1.00 0.00 H new ATOM 0 HD2 LYS A 17 10.622 -9.267 -4.305 1.00 0.00 H new ATOM 0 HD3 LYS A 17 10.200 -9.431 -5.998 1.00 0.00 H new ATOM 0 HE2 LYS A 17 11.308 -11.474 -5.245 1.00 0.00 H new ATOM 0 HE3 LYS A 17 12.331 -10.663 -6.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 13.597 -11.434 -4.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 13.630 -9.738 -4.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 12.639 -10.523 -3.464 1.00 0.00 H new ATOM 272 N CYS A 18 9.486 -4.808 -4.477 1.00 0.00 N ATOM 273 CA CYS A 18 9.403 -3.392 -4.158 1.00 0.00 C ATOM 274 C CYS A 18 10.580 -2.998 -3.287 1.00 0.00 C ATOM 275 O CYS A 18 10.855 -3.661 -2.283 1.00 0.00 O ATOM 276 CB CYS A 18 8.081 -3.078 -3.490 1.00 0.00 C ATOM 277 SG CYS A 18 7.858 -1.284 -3.574 1.00 0.00 S ATOM 0 H CYS A 18 9.479 -5.423 -3.664 1.00 0.00 H new ATOM 0 HA CYS A 18 9.449 -2.807 -5.077 1.00 0.00 H new ATOM 0 HB2 CYS A 18 7.263 -3.592 -3.994 1.00 0.00 H new ATOM 0 HB3 CYS A 18 8.082 -3.418 -2.455 1.00 0.00 H new ATOM 0 HG CYS A 18 7.158 -0.983 -4.627 1.00 0.00 H new ATOM 283 N ASP A 19 11.307 -1.959 -3.695 1.00 0.00 N ATOM 284 CA ASP A 19 12.407 -1.439 -2.913 1.00 0.00 C ATOM 285 C ASP A 19 11.823 -0.819 -1.659 1.00 0.00 C ATOM 286 O ASP A 19 10.870 -0.057 -1.733 1.00 0.00 O ATOM 287 CB ASP A 19 13.263 -0.434 -3.695 1.00 0.00 C ATOM 288 CG ASP A 19 13.931 -1.019 -4.933 1.00 0.00 C ATOM 289 OD1 ASP A 19 13.625 -2.193 -5.255 1.00 0.00 O ATOM 290 OD2 ASP A 19 14.783 -0.312 -5.504 1.00 0.00 O ATOM 0 H ASP A 19 11.145 -1.463 -4.572 1.00 0.00 H new ATOM 0 HA ASP A 19 13.086 -2.252 -2.655 1.00 0.00 H new ATOM 0 HB2 ASP A 19 12.636 0.405 -3.996 1.00 0.00 H new ATOM 0 HB3 ASP A 19 14.032 -0.036 -3.034 1.00 0.00 H new ATOM 295 N ASP A 20 12.431 -1.096 -0.510 1.00 0.00 N ATOM 296 CA ASP A 20 12.150 -0.340 0.712 1.00 0.00 C ATOM 297 C ASP A 20 12.218 1.147 0.388 1.00 0.00 C ATOM 298 O ASP A 20 11.407 1.958 0.802 1.00 0.00 O ATOM 299 CB ASP A 20 13.176 -0.672 1.793 1.00 0.00 C ATOM 300 CG ASP A 20 12.947 0.165 3.043 1.00 0.00 C ATOM 301 OD1 ASP A 20 11.796 0.171 3.523 1.00 0.00 O ATOM 302 OD2 ASP A 20 13.943 0.760 3.506 1.00 0.00 O ATOM 0 H ASP A 20 13.122 -1.838 -0.396 1.00 0.00 H new ATOM 0 HA ASP A 20 11.159 -0.604 1.082 1.00 0.00 H new ATOM 0 HB2 ASP A 20 13.114 -1.731 2.044 1.00 0.00 H new ATOM 0 HB3 ASP A 20 14.181 -0.493 1.411 1.00 0.00 H new ATOM 307 N ASP A 21 13.197 1.463 -0.445 1.00 0.00 N ATOM 308 CA ASP A 21 13.597 2.786 -0.821 1.00 0.00 C ATOM 309 C ASP A 21 12.565 3.459 -1.740 1.00 0.00 C ATOM 310 O ASP A 21 12.718 4.643 -2.038 1.00 0.00 O ATOM 311 CB ASP A 21 14.976 2.682 -1.499 1.00 0.00 C ATOM 312 CG ASP A 21 15.905 1.555 -1.006 1.00 0.00 C ATOM 313 OD1 ASP A 21 15.499 0.360 -1.078 1.00 0.00 O ATOM 314 OD2 ASP A 21 17.027 1.875 -0.570 1.00 0.00 O ATOM 0 H ASP A 21 13.763 0.746 -0.899 1.00 0.00 H new ATOM 0 HA ASP A 21 13.660 3.418 0.065 1.00 0.00 H new ATOM 0 HB2 ASP A 21 14.820 2.551 -2.570 1.00 0.00 H new ATOM 0 HB3 ASP A 21 15.493 3.632 -1.366 1.00 0.00 H new ATOM 319 N VAL A 22 11.550 2.727 -2.225 1.00 0.00 N ATOM 320 CA VAL A 22 10.561 3.227 -3.169 1.00 0.00 C ATOM 321 C VAL A 22 9.153 2.937 -2.647 1.00 0.00 C ATOM 322 O VAL A 22 8.945 2.028 -1.847 1.00 0.00 O ATOM 323 CB VAL A 22 10.821 2.617 -4.559 1.00 0.00 C ATOM 324 CG1 VAL A 22 10.193 1.233 -4.753 1.00 0.00 C ATOM 325 CG2 VAL A 22 10.276 3.523 -5.660 1.00 0.00 C ATOM 0 H VAL A 22 11.398 1.753 -1.962 1.00 0.00 H new ATOM 0 HA VAL A 22 10.645 4.309 -3.271 1.00 0.00 H new ATOM 0 HB VAL A 22 11.905 2.517 -4.622 1.00 0.00 H new ATOM 0 HG11 VAL A 22 10.419 0.868 -5.755 1.00 0.00 H new ATOM 0 HG12 VAL A 22 10.600 0.542 -4.015 1.00 0.00 H new ATOM 0 HG13 VAL A 22 9.113 1.303 -4.627 1.00 0.00 H new ATOM 0 HG21 VAL A 22 10.471 3.071 -6.633 1.00 0.00 H new ATOM 0 HG22 VAL A 22 9.201 3.650 -5.528 1.00 0.00 H new ATOM 0 HG23 VAL A 22 10.766 4.495 -5.607 1.00 0.00 H new ATOM 335 N TYR A 23 8.171 3.722 -3.088 1.00 0.00 N ATOM 336 CA TYR A 23 6.802 3.531 -2.653 1.00 0.00 C ATOM 337 C TYR A 23 6.180 2.318 -3.347 1.00 0.00 C ATOM 338 O TYR A 23 6.477 2.045 -4.512 1.00 0.00 O ATOM 339 CB TYR A 23 5.996 4.802 -2.914 1.00 0.00 C ATOM 340 CG TYR A 23 6.560 6.047 -2.260 1.00 0.00 C ATOM 341 CD1 TYR A 23 6.620 6.138 -0.858 1.00 0.00 C ATOM 342 CD2 TYR A 23 7.056 7.098 -3.050 1.00 0.00 C ATOM 343 CE1 TYR A 23 7.131 7.296 -0.247 1.00 0.00 C ATOM 344 CE2 TYR A 23 7.617 8.233 -2.439 1.00 0.00 C ATOM 345 CZ TYR A 23 7.659 8.329 -1.037 1.00 0.00 C ATOM 346 OH TYR A 23 8.224 9.415 -0.441 1.00 0.00 O ATOM 0 H TYR A 23 8.304 4.492 -3.744 1.00 0.00 H new ATOM 0 HA TYR A 23 6.790 3.333 -1.581 1.00 0.00 H new ATOM 0 HB2 TYR A 23 5.938 4.966 -3.990 1.00 0.00 H new ATOM 0 HB3 TYR A 23 4.977 4.650 -2.559 1.00 0.00 H new ATOM 0 HD1 TYR A 23 6.273 5.316 -0.249 1.00 0.00 H new ATOM 0 HD2 TYR A 23 7.006 7.034 -4.127 1.00 0.00 H new ATOM 0 HE1 TYR A 23 7.117 7.391 0.829 1.00 0.00 H new ATOM 0 HE2 TYR A 23 8.016 9.032 -3.047 1.00 0.00 H new ATOM 0 HH TYR A 23 8.542 10.037 -1.128 1.00 0.00 H new ATOM 356 N VAL A 24 5.264 1.622 -2.665 1.00 0.00 N ATOM 357 CA VAL A 24 4.507 0.496 -3.224 1.00 0.00 C ATOM 358 C VAL A 24 3.411 0.987 -4.187 1.00 0.00 C ATOM 359 O VAL A 24 2.256 0.578 -4.106 1.00 0.00 O ATOM 360 CB VAL A 24 3.888 -0.339 -2.087 1.00 0.00 C ATOM 361 CG1 VAL A 24 3.536 -1.749 -2.564 1.00 0.00 C ATOM 362 CG2 VAL A 24 4.828 -0.538 -0.899 1.00 0.00 C ATOM 0 H VAL A 24 5.024 1.828 -1.695 1.00 0.00 H new ATOM 0 HA VAL A 24 5.195 -0.130 -3.792 1.00 0.00 H new ATOM 0 HB VAL A 24 3.010 0.230 -1.783 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.101 -2.314 -1.740 1.00 0.00 H new ATOM 0 HG12 VAL A 24 2.817 -1.688 -3.381 1.00 0.00 H new ATOM 0 HG13 VAL A 24 4.439 -2.251 -2.912 1.00 0.00 H new ATOM 0 HG21 VAL A 24 4.328 -1.134 -0.136 1.00 0.00 H new ATOM 0 HG22 VAL A 24 5.729 -1.054 -1.230 1.00 0.00 H new ATOM 0 HG23 VAL A 24 5.098 0.432 -0.482 1.00 0.00 H new ATOM 372 N LEU A 25 3.789 1.837 -5.136 1.00 0.00 N ATOM 373 CA LEU A 25 2.993 2.180 -6.301 1.00 0.00 C ATOM 374 C LEU A 25 3.954 2.514 -7.431 1.00 0.00 C ATOM 375 O LEU A 25 3.860 1.928 -8.500 1.00 0.00 O ATOM 376 CB LEU A 25 1.909 3.244 -6.038 1.00 0.00 C ATOM 377 CG LEU A 25 2.338 4.721 -6.016 1.00 0.00 C ATOM 378 CD1 LEU A 25 1.092 5.612 -6.052 1.00 0.00 C ATOM 379 CD2 LEU A 25 3.146 5.061 -4.764 1.00 0.00 C ATOM 0 H LEU A 25 4.687 2.320 -5.111 1.00 0.00 H new ATOM 0 HA LEU A 25 2.386 1.323 -6.593 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.138 3.131 -6.801 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.444 3.017 -5.079 1.00 0.00 H new ATOM 0 HG LEU A 25 2.967 4.896 -6.889 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.393 6.659 -6.036 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.527 5.410 -6.962 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.468 5.401 -5.183 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.429 6.113 -4.788 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.542 4.868 -3.878 1.00 0.00 H new ATOM 0 HD23 LEU A 25 4.044 4.444 -4.732 1.00 0.00 H new ATOM 391 N ASP A 26 4.960 3.347 -7.154 1.00 0.00 N ATOM 392 CA ASP A 26 5.955 3.785 -8.126 1.00 0.00 C ATOM 393 C ASP A 26 6.552 2.592 -8.876 1.00 0.00 C ATOM 394 O ASP A 26 6.331 2.400 -10.072 1.00 0.00 O ATOM 395 CB ASP A 26 7.052 4.559 -7.382 1.00 0.00 C ATOM 396 CG ASP A 26 6.669 6.008 -7.138 1.00 0.00 C ATOM 397 OD1 ASP A 26 5.861 6.219 -6.209 1.00 0.00 O ATOM 398 OD2 ASP A 26 7.207 6.873 -7.860 1.00 0.00 O ATOM 0 H ASP A 26 5.106 3.743 -6.225 1.00 0.00 H new ATOM 0 HA ASP A 26 5.482 4.430 -8.867 1.00 0.00 H new ATOM 0 HB2 ASP A 26 7.253 4.073 -6.427 1.00 0.00 H new ATOM 0 HB3 ASP A 26 7.976 4.522 -7.960 1.00 0.00 H new ATOM 403 N GLN A 27 7.291 1.749 -8.151 1.00 0.00 N ATOM 404 CA GLN A 27 7.934 0.584 -8.727 1.00 0.00 C ATOM 405 C GLN A 27 6.904 -0.468 -9.145 1.00 0.00 C ATOM 406 O GLN A 27 7.214 -1.365 -9.918 1.00 0.00 O ATOM 407 CB GLN A 27 8.956 0.069 -7.713 1.00 0.00 C ATOM 408 CG GLN A 27 9.747 -1.137 -8.223 1.00 0.00 C ATOM 409 CD GLN A 27 11.117 -1.232 -7.548 1.00 0.00 C ATOM 410 OE1 GLN A 27 11.917 -0.312 -7.663 1.00 0.00 O ATOM 411 NE2 GLN A 27 11.394 -2.310 -6.822 1.00 0.00 N ATOM 0 H GLN A 27 7.455 1.862 -7.151 1.00 0.00 H new ATOM 0 HA GLN A 27 8.458 0.842 -9.647 1.00 0.00 H new ATOM 0 HB2 GLN A 27 9.649 0.872 -7.464 1.00 0.00 H new ATOM 0 HB3 GLN A 27 8.440 -0.204 -6.792 1.00 0.00 H new ATOM 0 HG2 GLN A 27 9.183 -2.050 -8.034 1.00 0.00 H new ATOM 0 HG3 GLN A 27 9.876 -1.059 -9.303 1.00 0.00 H new ATOM 0 HE21 GLN A 27 10.709 -3.062 -6.743 1.00 0.00 H new ATOM 0 HE22 GLN A 27 12.292 -2.386 -6.343 1.00 0.00 H new ATOM 420 N ALA A 28 5.673 -0.363 -8.647 1.00 0.00 N ATOM 421 CA ALA A 28 4.595 -1.241 -9.050 1.00 0.00 C ATOM 422 C ALA A 28 4.205 -0.922 -10.495 1.00 0.00 C ATOM 423 O ALA A 28 4.144 -1.809 -11.349 1.00 0.00 O ATOM 424 CB ALA A 28 3.434 -1.054 -8.067 1.00 0.00 C ATOM 0 H ALA A 28 5.403 0.335 -7.954 1.00 0.00 H new ATOM 0 HA ALA A 28 4.894 -2.289 -9.023 1.00 0.00 H new ATOM 0 HB1 ALA A 28 2.608 -1.707 -8.351 1.00 0.00 H new ATOM 0 HB2 ALA A 28 3.766 -1.306 -7.060 1.00 0.00 H new ATOM 0 HB3 ALA A 28 3.101 -0.016 -8.090 1.00 0.00 H new ATOM 430 N GLU A 29 3.953 0.355 -10.779 1.00 0.00 N ATOM 431 CA GLU A 29 3.607 0.838 -12.100 1.00 0.00 C ATOM 432 C GLU A 29 4.703 0.447 -13.094 1.00 0.00 C ATOM 433 O GLU A 29 4.388 -0.001 -14.194 1.00 0.00 O ATOM 434 CB GLU A 29 3.356 2.351 -12.051 1.00 0.00 C ATOM 435 CG GLU A 29 2.066 2.661 -11.276 1.00 0.00 C ATOM 436 CD GLU A 29 1.881 4.156 -11.047 1.00 0.00 C ATOM 437 OE1 GLU A 29 1.950 4.894 -12.054 1.00 0.00 O ATOM 438 OE2 GLU A 29 1.670 4.531 -9.873 1.00 0.00 O ATOM 0 H GLU A 29 3.986 1.093 -10.076 1.00 0.00 H new ATOM 0 HA GLU A 29 2.683 0.374 -12.444 1.00 0.00 H new ATOM 0 HB2 GLU A 29 4.201 2.850 -11.576 1.00 0.00 H new ATOM 0 HB3 GLU A 29 3.281 2.746 -13.064 1.00 0.00 H new ATOM 0 HG2 GLU A 29 1.210 2.270 -11.826 1.00 0.00 H new ATOM 0 HG3 GLU A 29 2.089 2.147 -10.315 1.00 0.00 H new ATOM 445 N GLU A 30 5.976 0.523 -12.682 1.00 0.00 N ATOM 446 CA GLU A 30 7.096 0.007 -13.470 1.00 0.00 C ATOM 447 C GLU A 30 6.883 -1.439 -13.933 1.00 0.00 C ATOM 448 O GLU A 30 7.281 -1.793 -15.042 1.00 0.00 O ATOM 449 CB GLU A 30 8.427 0.185 -12.725 1.00 0.00 C ATOM 450 CG GLU A 30 8.790 1.661 -12.493 1.00 0.00 C ATOM 451 CD GLU A 30 9.374 2.311 -13.743 1.00 0.00 C ATOM 452 OE1 GLU A 30 8.571 2.789 -14.573 1.00 0.00 O ATOM 453 OE2 GLU A 30 10.619 2.307 -13.851 1.00 0.00 O ATOM 0 H GLU A 30 6.254 0.943 -11.795 1.00 0.00 H new ATOM 0 HA GLU A 30 7.143 0.605 -14.380 1.00 0.00 H new ATOM 0 HB2 GLU A 30 8.371 -0.325 -11.764 1.00 0.00 H new ATOM 0 HB3 GLU A 30 9.223 -0.295 -13.294 1.00 0.00 H new ATOM 0 HG2 GLU A 30 7.900 2.208 -12.182 1.00 0.00 H new ATOM 0 HG3 GLU A 30 9.510 1.733 -11.677 1.00 0.00 H new ATOM 460 N GLU A 31 6.254 -2.277 -13.108 1.00 0.00 N ATOM 461 CA GLU A 31 5.982 -3.668 -13.459 1.00 0.00 C ATOM 462 C GLU A 31 4.701 -3.763 -14.285 1.00 0.00 C ATOM 463 O GLU A 31 4.534 -4.679 -15.088 1.00 0.00 O ATOM 464 CB GLU A 31 5.868 -4.514 -12.187 1.00 0.00 C ATOM 465 CG GLU A 31 7.042 -4.227 -11.235 1.00 0.00 C ATOM 466 CD GLU A 31 7.861 -5.458 -10.828 1.00 0.00 C ATOM 467 OE1 GLU A 31 7.792 -6.478 -11.545 1.00 0.00 O ATOM 468 OE2 GLU A 31 8.523 -5.388 -9.769 1.00 0.00 O ATOM 0 H GLU A 31 5.921 -2.010 -12.182 1.00 0.00 H new ATOM 0 HA GLU A 31 6.807 -4.052 -14.060 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.925 -4.299 -11.685 1.00 0.00 H new ATOM 0 HB3 GLU A 31 5.856 -5.572 -12.448 1.00 0.00 H new ATOM 0 HG2 GLU A 31 7.708 -3.507 -11.710 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.652 -3.754 -10.334 1.00 0.00 H new ATOM 475 N GLY A 32 3.789 -2.816 -14.055 1.00 0.00 N ATOM 476 CA GLY A 32 2.499 -2.705 -14.720 1.00 0.00 C ATOM 477 C GLY A 32 1.342 -2.714 -13.722 1.00 0.00 C ATOM 478 O GLY A 32 0.192 -2.883 -14.120 1.00 0.00 O ATOM 0 H GLY A 32 3.941 -2.076 -13.370 1.00 0.00 H new ATOM 0 HA2 GLY A 32 2.469 -1.784 -15.303 1.00 0.00 H new ATOM 0 HA3 GLY A 32 2.380 -3.531 -15.422 1.00 0.00 H new ATOM 482 N ILE A 33 1.622 -2.553 -12.424 1.00 0.00 N ATOM 483 CA ILE A 33 0.582 -2.571 -11.404 1.00 0.00 C ATOM 484 C ILE A 33 -0.237 -1.279 -11.441 1.00 0.00 C ATOM 485 O ILE A 33 0.245 -0.219 -11.049 1.00 0.00 O ATOM 486 CB ILE A 33 1.221 -2.785 -10.029 1.00 0.00 C ATOM 487 CG1 ILE A 33 1.895 -4.166 -10.027 1.00 0.00 C ATOM 488 CG2 ILE A 33 0.199 -2.639 -8.893 1.00 0.00 C ATOM 489 CD1 ILE A 33 2.666 -4.553 -8.764 1.00 0.00 C ATOM 0 H ILE A 33 2.564 -2.409 -12.060 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.103 -3.395 -11.604 1.00 0.00 H new ATOM 0 HB ILE A 33 1.970 -2.014 -9.847 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.127 -4.920 -10.201 1.00 0.00 H new ATOM 0 HG13 ILE A 33 2.582 -4.210 -10.872 1.00 0.00 H new ATOM 0 HG21 ILE A 33 0.694 -2.799 -7.935 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.231 -1.638 -8.917 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.593 -3.377 -9.019 1.00 0.00 H new ATOM 0 HD11 ILE A 33 3.093 -5.548 -8.889 1.00 0.00 H new ATOM 0 HD12 ILE A 33 3.466 -3.833 -8.591 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.989 -4.554 -7.910 1.00 0.00 H new ATOM 501 N ASP A 34 -1.506 -1.390 -11.834 1.00 0.00 N ATOM 502 CA ASP A 34 -2.442 -0.272 -11.862 1.00 0.00 C ATOM 503 C ASP A 34 -3.080 -0.074 -10.482 1.00 0.00 C ATOM 504 O ASP A 34 -4.245 -0.412 -10.274 1.00 0.00 O ATOM 505 CB ASP A 34 -3.505 -0.544 -12.934 1.00 0.00 C ATOM 506 CG ASP A 34 -4.400 0.668 -13.172 1.00 0.00 C ATOM 507 OD1 ASP A 34 -3.832 1.772 -13.313 1.00 0.00 O ATOM 508 OD2 ASP A 34 -5.630 0.469 -13.256 1.00 0.00 O ATOM 0 H ASP A 34 -1.915 -2.271 -12.145 1.00 0.00 H new ATOM 0 HA ASP A 34 -1.914 0.649 -12.111 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -3.016 -0.822 -13.867 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -4.118 -1.393 -12.630 1.00 0.00 H new ATOM 513 N ILE A 35 -2.326 0.426 -9.496 1.00 0.00 N ATOM 514 CA ILE A 35 -2.927 0.725 -8.198 1.00 0.00 C ATOM 515 C ILE A 35 -3.917 1.896 -8.348 1.00 0.00 C ATOM 516 O ILE A 35 -3.754 2.749 -9.223 1.00 0.00 O ATOM 517 CB ILE A 35 -1.855 0.947 -7.103 1.00 0.00 C ATOM 518 CG1 ILE A 35 -1.868 -0.130 -6.009 1.00 0.00 C ATOM 519 CG2 ILE A 35 -1.784 2.385 -6.561 1.00 0.00 C ATOM 520 CD1 ILE A 35 -0.594 -0.118 -5.156 1.00 0.00 C ATOM 0 H ILE A 35 -1.329 0.626 -9.570 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.497 -0.138 -7.854 1.00 0.00 H new ATOM 0 HB ILE A 35 -0.905 0.817 -7.622 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -2.734 0.022 -5.365 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.983 -1.111 -6.471 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -1.007 2.449 -5.799 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.550 3.070 -7.376 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.744 2.657 -6.123 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -0.656 -0.899 -4.398 1.00 0.00 H new ATOM 0 HD12 ILE A 35 0.272 -0.298 -5.793 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -0.491 0.852 -4.670 1.00 0.00 H new ATOM 682 N ALA A 48 -6.027 3.504 0.229 1.00 0.00 N ATOM 683 CA ALA A 48 -5.622 2.608 1.308 1.00 0.00 C ATOM 684 C ALA A 48 -5.579 1.168 0.810 1.00 0.00 C ATOM 685 O ALA A 48 -6.091 0.857 -0.270 1.00 0.00 O ATOM 686 CB ALA A 48 -6.569 2.707 2.506 1.00 0.00 C ATOM 0 HA ALA A 48 -4.627 2.913 1.632 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -6.237 2.026 3.290 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -6.568 3.728 2.888 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -7.578 2.437 2.195 1.00 0.00 H new ATOM 692 N GLY A 49 -4.979 0.298 1.627 1.00 0.00 N ATOM 693 CA GLY A 49 -4.915 -1.138 1.460 1.00 0.00 C ATOM 694 C GLY A 49 -4.968 -1.837 2.819 1.00 0.00 C ATOM 695 O GLY A 49 -4.796 -1.182 3.845 1.00 0.00 O ATOM 0 H GLY A 49 -4.498 0.607 2.472 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -5.744 -1.475 0.838 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -3.996 -1.409 0.940 1.00 0.00 H new ATOM 699 N LYS A 50 -5.212 -3.153 2.833 1.00 0.00 N ATOM 700 CA LYS A 50 -5.306 -3.990 4.020 1.00 0.00 C ATOM 701 C LYS A 50 -4.021 -4.793 4.218 1.00 0.00 C ATOM 702 O LYS A 50 -3.706 -5.637 3.388 1.00 0.00 O ATOM 703 CB LYS A 50 -6.522 -4.911 3.859 1.00 0.00 C ATOM 704 CG LYS A 50 -7.176 -5.243 5.204 1.00 0.00 C ATOM 705 CD LYS A 50 -8.689 -5.377 5.024 1.00 0.00 C ATOM 706 CE LYS A 50 -9.385 -5.202 6.385 1.00 0.00 C ATOM 707 NZ LYS A 50 -10.850 -5.034 6.238 1.00 0.00 N ATOM 0 H LYS A 50 -5.355 -3.682 1.973 1.00 0.00 H new ATOM 0 HA LYS A 50 -5.433 -3.371 4.908 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -7.254 -4.433 3.208 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -6.214 -5.834 3.368 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -6.764 -6.171 5.600 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -6.955 -4.460 5.930 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -9.050 -4.627 4.320 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -8.931 -6.353 4.603 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -9.180 -6.070 7.012 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -8.969 -4.334 6.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -11.334 -5.504 7.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -11.085 -4.021 6.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -11.160 -5.459 5.341 1.00 0.00 H new ATOM 721 N VAL A 51 -3.274 -4.548 5.292 1.00 0.00 N ATOM 722 CA VAL A 51 -2.081 -5.302 5.645 1.00 0.00 C ATOM 723 C VAL A 51 -2.489 -6.740 5.955 1.00 0.00 C ATOM 724 O VAL A 51 -3.152 -6.995 6.959 1.00 0.00 O ATOM 725 CB VAL A 51 -1.401 -4.659 6.878 1.00 0.00 C ATOM 726 CG1 VAL A 51 -0.126 -5.401 7.296 1.00 0.00 C ATOM 727 CG2 VAL A 51 -1.044 -3.189 6.646 1.00 0.00 C ATOM 0 H VAL A 51 -3.489 -3.802 5.954 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.372 -5.293 4.817 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.140 -4.731 7.676 1.00 0.00 H new ATOM 0 HG11 VAL A 51 0.312 -4.910 8.165 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -0.371 -6.433 7.547 1.00 0.00 H new ATOM 0 HG13 VAL A 51 0.589 -5.388 6.473 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -0.570 -2.784 7.540 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -0.357 -3.110 5.803 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -1.951 -2.624 6.429 1.00 0.00 H new ATOM 737 N VAL A 52 -2.081 -7.683 5.107 1.00 0.00 N ATOM 738 CA VAL A 52 -2.300 -9.102 5.351 1.00 0.00 C ATOM 739 C VAL A 52 -1.168 -9.661 6.218 1.00 0.00 C ATOM 740 O VAL A 52 -1.417 -10.466 7.113 1.00 0.00 O ATOM 741 CB VAL A 52 -2.387 -9.839 4.011 1.00 0.00 C ATOM 742 CG1 VAL A 52 -2.602 -11.347 4.190 1.00 0.00 C ATOM 743 CG2 VAL A 52 -3.506 -9.268 3.137 1.00 0.00 C ATOM 0 H VAL A 52 -1.591 -7.483 4.235 1.00 0.00 H new ATOM 0 HA VAL A 52 -3.238 -9.246 5.887 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.428 -9.687 3.516 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.657 -11.825 3.212 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -1.770 -11.769 4.754 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -3.532 -11.520 4.731 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.543 -9.811 2.193 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -4.460 -9.372 3.653 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -3.313 -8.213 2.941 1.00 0.00 H new ATOM 753 N SER A 53 0.080 -9.275 5.936 1.00 0.00 N ATOM 754 CA SER A 53 1.246 -9.739 6.682 1.00 0.00 C ATOM 755 C SER A 53 2.379 -8.731 6.515 1.00 0.00 C ATOM 756 O SER A 53 2.165 -7.678 5.923 1.00 0.00 O ATOM 757 CB SER A 53 1.658 -11.137 6.197 1.00 0.00 C ATOM 758 OG SER A 53 2.666 -11.674 7.036 1.00 0.00 O ATOM 0 H SER A 53 0.307 -8.629 5.180 1.00 0.00 H new ATOM 0 HA SER A 53 1.006 -9.816 7.742 1.00 0.00 H new ATOM 0 HB2 SER A 53 0.791 -11.797 6.192 1.00 0.00 H new ATOM 0 HB3 SER A 53 2.022 -11.080 5.171 1.00 0.00 H new ATOM 0 HG SER A 53 2.917 -12.566 6.716 1.00 0.00 H new ATOM 764 N GLY A 54 3.576 -9.078 6.994 1.00 0.00 N ATOM 765 CA GLY A 54 4.765 -8.235 6.948 1.00 0.00 C ATOM 766 C GLY A 54 4.543 -6.899 7.657 1.00 0.00 C ATOM 767 O GLY A 54 3.688 -6.784 8.536 1.00 0.00 O ATOM 0 H GLY A 54 3.746 -9.981 7.437 1.00 0.00 H new ATOM 0 HA2 GLY A 54 5.600 -8.759 7.413 1.00 0.00 H new ATOM 0 HA3 GLY A 54 5.042 -8.054 5.909 1.00 0.00 H new ATOM 771 N SER A 55 5.304 -5.867 7.279 1.00 0.00 N ATOM 772 CA SER A 55 5.046 -4.494 7.661 1.00 0.00 C ATOM 773 C SER A 55 5.660 -3.620 6.576 1.00 0.00 C ATOM 774 O SER A 55 6.570 -4.066 5.877 1.00 0.00 O ATOM 775 CB SER A 55 5.681 -4.176 9.017 1.00 0.00 C ATOM 776 OG SER A 55 5.219 -5.046 10.033 1.00 0.00 O ATOM 0 H SER A 55 6.129 -5.975 6.689 1.00 0.00 H new ATOM 0 HA SER A 55 3.975 -4.315 7.758 1.00 0.00 H new ATOM 0 HB2 SER A 55 6.765 -4.254 8.937 1.00 0.00 H new ATOM 0 HB3 SER A 55 5.455 -3.145 9.291 1.00 0.00 H new ATOM 0 HG SER A 55 4.535 -5.644 9.666 1.00 0.00 H new ATOM 782 N ILE A 56 5.158 -2.393 6.450 1.00 0.00 N ATOM 783 CA ILE A 56 5.691 -1.342 5.604 1.00 0.00 C ATOM 784 C ILE A 56 5.654 -0.072 6.453 1.00 0.00 C ATOM 785 O ILE A 56 4.788 0.038 7.325 1.00 0.00 O ATOM 786 CB ILE A 56 4.867 -1.197 4.306 1.00 0.00 C ATOM 787 CG1 ILE A 56 3.373 -0.938 4.534 1.00 0.00 C ATOM 788 CG2 ILE A 56 5.026 -2.412 3.387 1.00 0.00 C ATOM 789 CD1 ILE A 56 2.592 -0.887 3.206 1.00 0.00 C ATOM 0 H ILE A 56 4.328 -2.096 6.963 1.00 0.00 H new ATOM 0 HA ILE A 56 6.707 -1.562 5.276 1.00 0.00 H new ATOM 0 HB ILE A 56 5.283 -0.311 3.826 1.00 0.00 H new ATOM 0 HG12 ILE A 56 2.961 -1.723 5.168 1.00 0.00 H new ATOM 0 HG13 ILE A 56 3.245 0.004 5.068 1.00 0.00 H new ATOM 0 HG21 ILE A 56 4.429 -2.267 2.486 1.00 0.00 H new ATOM 0 HG22 ILE A 56 6.075 -2.526 3.113 1.00 0.00 H new ATOM 0 HG23 ILE A 56 4.687 -3.308 3.907 1.00 0.00 H new ATOM 0 HD11 ILE A 56 1.538 -0.702 3.411 1.00 0.00 H new ATOM 0 HD12 ILE A 56 2.987 -0.085 2.582 1.00 0.00 H new ATOM 0 HD13 ILE A 56 2.699 -1.838 2.684 1.00 0.00 H new ATOM 801 N ASP A 57 6.583 0.857 6.234 1.00 0.00 N ATOM 802 CA ASP A 57 6.609 2.123 6.934 1.00 0.00 C ATOM 803 C ASP A 57 5.821 3.110 6.089 1.00 0.00 C ATOM 804 O ASP A 57 6.224 3.425 4.970 1.00 0.00 O ATOM 805 CB ASP A 57 8.043 2.613 7.148 1.00 0.00 C ATOM 806 CG ASP A 57 8.012 3.899 7.963 1.00 0.00 C ATOM 807 OD1 ASP A 57 7.476 4.895 7.432 1.00 0.00 O ATOM 808 OD2 ASP A 57 8.448 3.851 9.132 1.00 0.00 O ATOM 0 H ASP A 57 7.340 0.744 5.560 1.00 0.00 H new ATOM 0 HA ASP A 57 6.168 2.019 7.925 1.00 0.00 H new ATOM 0 HB2 ASP A 57 8.627 1.853 7.667 1.00 0.00 H new ATOM 0 HB3 ASP A 57 8.528 2.788 6.188 1.00 0.00 H new ATOM 813 N GLN A 58 4.676 3.546 6.608 1.00 0.00 N ATOM 814 CA GLN A 58 3.884 4.611 6.019 1.00 0.00 C ATOM 815 C GLN A 58 3.965 5.901 6.849 1.00 0.00 C ATOM 816 O GLN A 58 2.956 6.575 7.054 1.00 0.00 O ATOM 817 CB GLN A 58 2.455 4.097 5.852 1.00 0.00 C ATOM 818 CG GLN A 58 1.934 3.476 7.143 1.00 0.00 C ATOM 819 CD GLN A 58 0.420 3.346 7.164 1.00 0.00 C ATOM 820 OE1 GLN A 58 -0.318 3.875 6.341 1.00 0.00 O ATOM 821 NE2 GLN A 58 -0.072 2.562 8.101 1.00 0.00 N ATOM 0 H GLN A 58 4.271 3.161 7.461 1.00 0.00 H new ATOM 0 HA GLN A 58 4.279 4.880 5.039 1.00 0.00 H new ATOM 0 HB2 GLN A 58 1.804 4.918 5.553 1.00 0.00 H new ATOM 0 HB3 GLN A 58 2.424 3.357 5.052 1.00 0.00 H new ATOM 0 HG2 GLN A 58 2.381 2.490 7.273 1.00 0.00 H new ATOM 0 HG3 GLN A 58 2.254 4.085 7.989 1.00 0.00 H new ATOM 0 HE21 GLN A 58 0.551 2.127 8.781 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -1.076 2.390 8.147 1.00 0.00 H new ATOM 830 N SER A 59 5.152 6.273 7.341 1.00 0.00 N ATOM 831 CA SER A 59 5.289 7.431 8.224 1.00 0.00 C ATOM 832 C SER A 59 5.336 8.766 7.455 1.00 0.00 C ATOM 833 O SER A 59 5.554 9.812 8.064 1.00 0.00 O ATOM 834 CB SER A 59 6.496 7.241 9.161 1.00 0.00 C ATOM 835 OG SER A 59 6.219 7.754 10.452 1.00 0.00 O ATOM 0 H SER A 59 6.028 5.789 7.142 1.00 0.00 H new ATOM 0 HA SER A 59 4.391 7.492 8.839 1.00 0.00 H new ATOM 0 HB2 SER A 59 6.744 6.182 9.232 1.00 0.00 H new ATOM 0 HB3 SER A 59 7.368 7.745 8.744 1.00 0.00 H new ATOM 0 HG SER A 59 6.999 7.621 11.031 1.00 0.00 H new ATOM 901 N LEU A 64 -4.390 7.839 7.481 1.00 0.00 N ATOM 902 CA LEU A 64 -4.970 6.728 8.236 1.00 0.00 C ATOM 903 C LEU A 64 -4.819 6.945 9.735 1.00 0.00 C ATOM 904 O LEU A 64 -3.751 7.351 10.191 1.00 0.00 O ATOM 905 CB LEU A 64 -4.370 5.359 7.891 1.00 0.00 C ATOM 906 CG LEU A 64 -4.964 4.722 6.630 1.00 0.00 C ATOM 907 CD1 LEU A 64 -4.390 5.328 5.349 1.00 0.00 C ATOM 908 CD2 LEU A 64 -4.648 3.229 6.679 1.00 0.00 C ATOM 0 HA LEU A 64 -6.021 6.717 7.947 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.293 5.468 7.759 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -4.521 4.684 8.733 1.00 0.00 H new ATOM 0 HG LEU A 64 -6.038 4.906 6.611 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -4.842 4.844 4.483 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -4.608 6.396 5.322 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.311 5.177 5.327 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.057 2.741 5.794 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.568 3.086 6.705 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.093 2.792 7.573 1.00 0.00 H new ATOM 920 N ASP A 65 -5.879 6.634 10.480 1.00 0.00 N ATOM 921 CA ASP A 65 -5.849 6.711 11.931 1.00 0.00 C ATOM 922 C ASP A 65 -5.299 5.413 12.509 1.00 0.00 C ATOM 923 O ASP A 65 -5.176 4.393 11.823 1.00 0.00 O ATOM 924 CB ASP A 65 -7.235 7.035 12.506 1.00 0.00 C ATOM 925 CG ASP A 65 -7.462 8.535 12.622 1.00 0.00 C ATOM 926 OD1 ASP A 65 -6.818 9.125 13.517 1.00 0.00 O ATOM 927 OD2 ASP A 65 -8.277 9.060 11.833 1.00 0.00 O ATOM 0 H ASP A 65 -6.772 6.325 10.095 1.00 0.00 H new ATOM 0 HA ASP A 65 -5.187 7.528 12.219 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -8.004 6.599 11.868 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -7.337 6.575 13.489 1.00 0.00 H new ATOM 932 N ASP A 66 -5.008 5.473 13.807 1.00 0.00 N ATOM 933 CA ASP A 66 -4.455 4.374 14.583 1.00 0.00 C ATOM 934 C ASP A 66 -5.380 3.175 14.442 1.00 0.00 C ATOM 935 O ASP A 66 -4.921 2.055 14.246 1.00 0.00 O ATOM 936 CB ASP A 66 -4.314 4.769 16.064 1.00 0.00 C ATOM 937 CG ASP A 66 -3.030 5.527 16.387 1.00 0.00 C ATOM 938 OD1 ASP A 66 -2.415 6.071 15.445 1.00 0.00 O ATOM 939 OD2 ASP A 66 -2.685 5.547 17.587 1.00 0.00 O ATOM 0 H ASP A 66 -5.157 6.316 14.362 1.00 0.00 H new ATOM 0 HA ASP A 66 -3.461 4.126 14.211 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -5.168 5.385 16.348 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -4.354 3.867 16.675 1.00 0.00 H new ATOM 944 N GLU A 67 -6.691 3.432 14.515 1.00 0.00 N ATOM 945 CA GLU A 67 -7.718 2.419 14.396 1.00 0.00 C ATOM 946 C GLU A 67 -7.491 1.608 13.129 1.00 0.00 C ATOM 947 O GLU A 67 -7.288 0.405 13.191 1.00 0.00 O ATOM 948 CB GLU A 67 -9.118 3.054 14.379 1.00 0.00 C ATOM 949 CG GLU A 67 -9.217 4.388 15.115 1.00 0.00 C ATOM 950 CD GLU A 67 -10.670 4.714 15.437 1.00 0.00 C ATOM 951 OE1 GLU A 67 -11.431 4.900 14.464 1.00 0.00 O ATOM 952 OE2 GLU A 67 -10.999 4.732 16.642 1.00 0.00 O ATOM 0 H GLU A 67 -7.063 4.370 14.661 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.659 1.760 15.262 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -9.424 3.201 13.343 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -9.826 2.355 14.824 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -8.635 4.346 16.036 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -8.788 5.181 14.502 1.00 0.00 H new ATOM 959 N GLN A 68 -7.522 2.273 11.974 1.00 0.00 N ATOM 960 CA GLN A 68 -7.324 1.641 10.687 1.00 0.00 C ATOM 961 C GLN A 68 -6.008 0.862 10.646 1.00 0.00 C ATOM 962 O GLN A 68 -6.003 -0.309 10.270 1.00 0.00 O ATOM 963 CB GLN A 68 -7.389 2.707 9.601 1.00 0.00 C ATOM 964 CG GLN A 68 -8.788 3.323 9.582 1.00 0.00 C ATOM 965 CD GLN A 68 -8.836 4.614 8.802 1.00 0.00 C ATOM 966 OE1 GLN A 68 -7.858 5.348 8.714 1.00 0.00 O ATOM 967 NE2 GLN A 68 -9.994 4.890 8.235 1.00 0.00 N ATOM 0 H GLN A 68 -7.688 3.278 11.914 1.00 0.00 H new ATOM 0 HA GLN A 68 -8.115 0.912 10.513 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -6.642 3.478 9.787 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -7.159 2.268 8.630 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -9.490 2.612 9.146 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -9.115 3.507 10.605 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -10.778 4.246 8.338 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -10.105 5.747 7.694 1.00 0.00 H new ATOM 976 N MET A 69 -4.890 1.488 11.026 1.00 0.00 N ATOM 977 CA MET A 69 -3.622 0.778 11.073 1.00 0.00 C ATOM 978 C MET A 69 -3.739 -0.522 11.882 1.00 0.00 C ATOM 979 O MET A 69 -3.539 -1.610 11.340 1.00 0.00 O ATOM 980 CB MET A 69 -2.526 1.696 11.615 1.00 0.00 C ATOM 981 CG MET A 69 -2.271 2.936 10.751 1.00 0.00 C ATOM 982 SD MET A 69 -0.783 3.837 11.253 1.00 0.00 S ATOM 983 CE MET A 69 -1.123 5.438 10.506 1.00 0.00 C ATOM 0 H MET A 69 -4.843 2.469 11.300 1.00 0.00 H new ATOM 0 HA MET A 69 -3.346 0.489 10.059 1.00 0.00 H new ATOM 0 HB2 MET A 69 -2.798 2.016 12.621 1.00 0.00 H new ATOM 0 HB3 MET A 69 -1.600 1.128 11.701 1.00 0.00 H new ATOM 0 HG2 MET A 69 -2.175 2.634 9.708 1.00 0.00 H new ATOM 0 HG3 MET A 69 -3.132 3.601 10.812 1.00 0.00 H new ATOM 0 HE1 MET A 69 -0.190 5.989 10.386 1.00 0.00 H new ATOM 0 HE2 MET A 69 -1.587 5.293 9.530 1.00 0.00 H new ATOM 0 HE3 MET A 69 -1.798 6.003 11.148 1.00 0.00 H new ATOM 993 N ASP A 70 -4.112 -0.411 13.160 1.00 0.00 N ATOM 994 CA ASP A 70 -4.246 -1.528 14.092 1.00 0.00 C ATOM 995 C ASP A 70 -5.191 -2.592 13.532 1.00 0.00 C ATOM 996 O ASP A 70 -4.928 -3.792 13.586 1.00 0.00 O ATOM 997 CB ASP A 70 -4.793 -1.003 15.424 1.00 0.00 C ATOM 998 CG ASP A 70 -4.890 -2.126 16.447 1.00 0.00 C ATOM 999 OD1 ASP A 70 -3.817 -2.541 16.932 1.00 0.00 O ATOM 1000 OD2 ASP A 70 -6.034 -2.547 16.720 1.00 0.00 O ATOM 0 H ASP A 70 -4.336 0.489 13.586 1.00 0.00 H new ATOM 0 HA ASP A 70 -3.267 -1.984 14.242 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -4.144 -0.214 15.804 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -5.777 -0.560 15.269 1.00 0.00 H new ATOM 1005 N ALA A 71 -6.287 -2.114 12.945 1.00 0.00 N ATOM 1006 CA ALA A 71 -7.347 -2.917 12.360 1.00 0.00 C ATOM 1007 C ALA A 71 -6.840 -3.763 11.192 1.00 0.00 C ATOM 1008 O ALA A 71 -7.490 -4.739 10.817 1.00 0.00 O ATOM 1009 CB ALA A 71 -8.466 -1.987 11.895 1.00 0.00 C ATOM 0 H ALA A 71 -6.463 -1.113 12.863 1.00 0.00 H new ATOM 0 HA ALA A 71 -7.720 -3.608 13.116 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -9.269 -2.577 11.453 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -8.853 -1.428 12.747 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -8.076 -1.291 11.152 1.00 0.00 H new ATOM 1015 N GLY A 72 -5.702 -3.388 10.601 1.00 0.00 N ATOM 1016 CA GLY A 72 -5.043 -4.145 9.563 1.00 0.00 C ATOM 1017 C GLY A 72 -5.052 -3.377 8.259 1.00 0.00 C ATOM 1018 O GLY A 72 -5.038 -4.005 7.209 1.00 0.00 O ATOM 0 H GLY A 72 -5.212 -2.528 10.845 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -4.016 -4.360 9.858 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -5.544 -5.104 9.430 1.00 0.00 H new ATOM 1022 N TYR A 73 -5.085 -2.044 8.292 1.00 0.00 N ATOM 1023 CA TYR A 73 -5.008 -1.219 7.100 1.00 0.00 C ATOM 1024 C TYR A 73 -3.683 -0.477 7.016 1.00 0.00 C ATOM 1025 O TYR A 73 -2.893 -0.464 7.955 1.00 0.00 O ATOM 1026 CB TYR A 73 -6.200 -0.279 7.030 1.00 0.00 C ATOM 1027 CG TYR A 73 -7.494 -1.037 6.877 1.00 0.00 C ATOM 1028 CD1 TYR A 73 -7.835 -1.555 5.617 1.00 0.00 C ATOM 1029 CD2 TYR A 73 -8.432 -1.070 7.922 1.00 0.00 C ATOM 1030 CE1 TYR A 73 -9.149 -1.969 5.364 1.00 0.00 C ATOM 1031 CE2 TYR A 73 -9.747 -1.490 7.668 1.00 0.00 C ATOM 1032 CZ TYR A 73 -10.125 -1.861 6.368 1.00 0.00 C ATOM 1033 OH TYR A 73 -11.361 -2.392 6.151 1.00 0.00 O ATOM 0 H TYR A 73 -5.167 -1.509 9.156 1.00 0.00 H new ATOM 0 HA TYR A 73 -5.049 -1.871 6.228 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -6.238 0.329 7.934 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -6.076 0.405 6.190 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -7.085 -1.634 4.844 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -8.142 -0.773 8.919 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -9.412 -2.371 4.397 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -10.467 -1.528 8.472 1.00 0.00 H new ATOM 0 HH TYR A 73 -11.993 -1.674 5.937 1.00 0.00 H new ATOM 1043 N VAL A 74 -3.432 0.127 5.861 1.00 0.00 N ATOM 1044 CA VAL A 74 -2.236 0.885 5.577 1.00 0.00 C ATOM 1045 C VAL A 74 -2.558 1.765 4.382 1.00 0.00 C ATOM 1046 O VAL A 74 -3.468 1.453 3.616 1.00 0.00 O ATOM 1047 CB VAL A 74 -1.082 -0.091 5.310 1.00 0.00 C ATOM 1048 CG1 VAL A 74 -1.271 -0.930 4.041 1.00 0.00 C ATOM 1049 CG2 VAL A 74 0.285 0.568 5.302 1.00 0.00 C ATOM 0 H VAL A 74 -4.082 0.097 5.075 1.00 0.00 H new ATOM 0 HA VAL A 74 -1.923 1.517 6.408 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.115 -0.768 6.164 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.418 -1.597 3.915 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -2.183 -1.520 4.128 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.346 -0.270 3.177 1.00 0.00 H new ATOM 0 HG21 VAL A 74 1.050 -0.184 5.107 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.317 1.329 4.523 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.471 1.032 6.271 1.00 0.00 H new ATOM 1119 N ALA A 79 4.175 4.417 1.135 1.00 0.00 N ATOM 1120 CA ALA A 79 4.516 3.325 2.026 1.00 0.00 C ATOM 1121 C ALA A 79 5.784 2.659 1.508 1.00 0.00 C ATOM 1122 O ALA A 79 5.864 2.390 0.311 1.00 0.00 O ATOM 1123 CB ALA A 79 3.367 2.318 2.043 1.00 0.00 C ATOM 0 HA ALA A 79 4.682 3.693 3.038 1.00 0.00 H new ATOM 0 HB1 ALA A 79 3.616 1.493 2.711 1.00 0.00 H new ATOM 0 HB2 ALA A 79 2.459 2.808 2.394 1.00 0.00 H new ATOM 0 HB3 ALA A 79 3.206 1.933 1.036 1.00 0.00 H new ATOM 1129 N TYR A 80 6.750 2.400 2.392 1.00 0.00 N ATOM 1130 CA TYR A 80 8.021 1.752 2.084 1.00 0.00 C ATOM 1131 C TYR A 80 8.058 0.316 2.632 1.00 0.00 C ATOM 1132 O TYR A 80 7.826 0.123 3.827 1.00 0.00 O ATOM 1133 CB TYR A 80 9.156 2.573 2.711 1.00 0.00 C ATOM 1134 CG TYR A 80 9.608 3.835 1.987 1.00 0.00 C ATOM 1135 CD1 TYR A 80 9.102 4.203 0.724 1.00 0.00 C ATOM 1136 CD2 TYR A 80 10.705 4.545 2.507 1.00 0.00 C ATOM 1137 CE1 TYR A 80 9.636 5.305 0.042 1.00 0.00 C ATOM 1138 CE2 TYR A 80 11.124 5.741 1.904 1.00 0.00 C ATOM 1139 CZ TYR A 80 10.588 6.122 0.664 1.00 0.00 C ATOM 1140 OH TYR A 80 10.980 7.280 0.061 1.00 0.00 O ATOM 0 H TYR A 80 6.662 2.646 3.378 1.00 0.00 H new ATOM 0 HA TYR A 80 8.140 1.702 1.002 1.00 0.00 H new ATOM 0 HB2 TYR A 80 8.847 2.857 3.717 1.00 0.00 H new ATOM 0 HB3 TYR A 80 10.022 1.920 2.817 1.00 0.00 H new ATOM 0 HD1 TYR A 80 8.299 3.633 0.280 1.00 0.00 H new ATOM 0 HD2 TYR A 80 11.227 4.168 3.374 1.00 0.00 H new ATOM 0 HE1 TYR A 80 9.313 5.524 -0.965 1.00 0.00 H new ATOM 0 HE2 TYR A 80 11.857 6.366 2.393 1.00 0.00 H new ATOM 0 HH TYR A 80 10.196 7.741 -0.303 1.00 0.00 H new ATOM 1150 N PRO A 81 8.313 -0.696 1.783 1.00 0.00 N ATOM 1151 CA PRO A 81 8.370 -2.095 2.180 1.00 0.00 C ATOM 1152 C PRO A 81 9.668 -2.453 2.905 1.00 0.00 C ATOM 1153 O PRO A 81 10.683 -2.722 2.268 1.00 0.00 O ATOM 1154 CB PRO A 81 8.175 -2.909 0.898 1.00 0.00 C ATOM 1155 CG PRO A 81 8.446 -1.947 -0.255 1.00 0.00 C ATOM 1156 CD PRO A 81 8.388 -0.552 0.339 1.00 0.00 C ATOM 0 HA PRO A 81 7.590 -2.319 2.907 1.00 0.00 H new ATOM 0 HB2 PRO A 81 8.858 -3.758 0.867 1.00 0.00 H new ATOM 0 HB3 PRO A 81 7.164 -3.311 0.841 1.00 0.00 H new ATOM 0 HG2 PRO A 81 9.421 -2.140 -0.703 1.00 0.00 H new ATOM 0 HG3 PRO A 81 7.704 -2.066 -1.044 1.00 0.00 H new ATOM 0 HD2 PRO A 81 9.270 0.022 0.056 1.00 0.00 H new ATOM 0 HD3 PRO A 81 7.521 -0.010 -0.038 1.00 0.00 H new ATOM 1164 N THR A 82 9.624 -2.537 4.237 1.00 0.00 N ATOM 1165 CA THR A 82 10.820 -2.731 5.044 1.00 0.00 C ATOM 1166 C THR A 82 11.218 -4.207 5.083 1.00 0.00 C ATOM 1167 O THR A 82 12.342 -4.549 5.452 1.00 0.00 O ATOM 1168 CB THR A 82 10.561 -2.185 6.454 1.00 0.00 C ATOM 1169 OG1 THR A 82 9.443 -2.838 7.022 1.00 0.00 O ATOM 1170 CG2 THR A 82 10.268 -0.682 6.438 1.00 0.00 C ATOM 0 H THR A 82 8.762 -2.472 4.779 1.00 0.00 H new ATOM 0 HA THR A 82 11.653 -2.188 4.599 1.00 0.00 H new ATOM 0 HB THR A 82 11.463 -2.366 7.039 1.00 0.00 H new ATOM 0 HG1 THR A 82 9.282 -2.487 7.923 1.00 0.00 H new ATOM 0 HG21 THR A 82 10.090 -0.335 7.456 1.00 0.00 H new ATOM 0 HG22 THR A 82 11.121 -0.150 6.017 1.00 0.00 H new ATOM 0 HG23 THR A 82 9.384 -0.490 5.830 1.00 0.00 H new ATOM 1178 N SER A 83 10.289 -5.102 4.739 1.00 0.00 N ATOM 1179 CA SER A 83 10.513 -6.528 4.624 1.00 0.00 C ATOM 1180 C SER A 83 9.525 -7.071 3.599 1.00 0.00 C ATOM 1181 O SER A 83 8.736 -6.305 3.046 1.00 0.00 O ATOM 1182 CB SER A 83 10.373 -7.202 5.996 1.00 0.00 C ATOM 1183 OG SER A 83 11.427 -6.794 6.851 1.00 0.00 O ATOM 0 H SER A 83 9.328 -4.834 4.527 1.00 0.00 H new ATOM 0 HA SER A 83 11.526 -6.742 4.284 1.00 0.00 H new ATOM 0 HB2 SER A 83 9.413 -6.942 6.441 1.00 0.00 H new ATOM 0 HB3 SER A 83 10.388 -8.286 5.880 1.00 0.00 H new ATOM 0 HG SER A 83 11.938 -6.076 6.421 1.00 0.00 H new ATOM 1189 N ASP A 84 9.572 -8.379 3.337 1.00 0.00 N ATOM 1190 CA ASP A 84 8.550 -9.063 2.570 1.00 0.00 C ATOM 1191 C ASP A 84 7.198 -8.828 3.240 1.00 0.00 C ATOM 1192 O ASP A 84 7.093 -8.819 4.467 1.00 0.00 O ATOM 1193 CB ASP A 84 8.888 -10.554 2.454 1.00 0.00 C ATOM 1194 CG ASP A 84 9.133 -11.196 3.813 1.00 0.00 C ATOM 1195 OD1 ASP A 84 10.073 -10.712 4.487 1.00 0.00 O ATOM 1196 OD2 ASP A 84 8.398 -12.153 4.139 1.00 0.00 O ATOM 0 H ASP A 84 10.326 -8.988 3.656 1.00 0.00 H new ATOM 0 HA ASP A 84 8.504 -8.669 1.555 1.00 0.00 H new ATOM 0 HB2 ASP A 84 8.071 -11.072 1.951 1.00 0.00 H new ATOM 0 HB3 ASP A 84 9.774 -10.676 1.831 1.00 0.00 H new ATOM 1201 N VAL A 85 6.185 -8.535 2.427 1.00 0.00 N ATOM 1202 CA VAL A 85 4.939 -7.967 2.924 1.00 0.00 C ATOM 1203 C VAL A 85 3.770 -8.269 1.990 1.00 0.00 C ATOM 1204 O VAL A 85 3.920 -8.366 0.775 1.00 0.00 O ATOM 1205 CB VAL A 85 5.141 -6.475 3.278 1.00 0.00 C ATOM 1206 CG1 VAL A 85 5.801 -5.649 2.166 1.00 0.00 C ATOM 1207 CG2 VAL A 85 3.857 -5.774 3.727 1.00 0.00 C ATOM 0 H VAL A 85 6.206 -8.683 1.418 1.00 0.00 H new ATOM 0 HA VAL A 85 4.655 -8.453 3.858 1.00 0.00 H new ATOM 0 HB VAL A 85 5.830 -6.516 4.121 1.00 0.00 H new ATOM 0 HG11 VAL A 85 5.906 -4.615 2.494 1.00 0.00 H new ATOM 0 HG12 VAL A 85 6.785 -6.061 1.942 1.00 0.00 H new ATOM 0 HG13 VAL A 85 5.181 -5.684 1.270 1.00 0.00 H new ATOM 0 HG21 VAL A 85 4.074 -4.731 3.959 1.00 0.00 H new ATOM 0 HG22 VAL A 85 3.118 -5.822 2.927 1.00 0.00 H new ATOM 0 HG23 VAL A 85 3.464 -6.269 4.615 1.00 0.00 H new ATOM 1217 N VAL A 86 2.593 -8.486 2.575 1.00 0.00 N ATOM 1218 CA VAL A 86 1.397 -8.868 1.848 1.00 0.00 C ATOM 1219 C VAL A 86 0.340 -7.845 2.228 1.00 0.00 C ATOM 1220 O VAL A 86 0.078 -7.660 3.418 1.00 0.00 O ATOM 1221 CB VAL A 86 0.983 -10.298 2.235 1.00 0.00 C ATOM 1222 CG1 VAL A 86 -0.233 -10.767 1.427 1.00 0.00 C ATOM 1223 CG2 VAL A 86 2.126 -11.291 1.987 1.00 0.00 C ATOM 0 H VAL A 86 2.448 -8.399 3.581 1.00 0.00 H new ATOM 0 HA VAL A 86 1.548 -8.876 0.769 1.00 0.00 H new ATOM 0 HB VAL A 86 0.733 -10.272 3.296 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -0.499 -11.781 1.725 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -1.075 -10.101 1.616 1.00 0.00 H new ATOM 0 HG13 VAL A 86 0.009 -10.753 0.364 1.00 0.00 H new ATOM 0 HG21 VAL A 86 1.805 -12.294 2.270 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.395 -11.280 0.931 1.00 0.00 H new ATOM 0 HG23 VAL A 86 2.992 -11.006 2.584 1.00 0.00 H new ATOM 1233 N ILE A 87 -0.240 -7.174 1.234 1.00 0.00 N ATOM 1234 CA ILE A 87 -1.270 -6.181 1.434 1.00 0.00 C ATOM 1235 C ILE A 87 -2.343 -6.352 0.352 1.00 0.00 C ATOM 1236 O ILE A 87 -2.042 -6.811 -0.746 1.00 0.00 O ATOM 1237 CB ILE A 87 -0.614 -4.787 1.510 1.00 0.00 C ATOM 1238 CG1 ILE A 87 -1.599 -3.613 1.476 1.00 0.00 C ATOM 1239 CG2 ILE A 87 0.525 -4.553 0.515 1.00 0.00 C ATOM 1240 CD1 ILE A 87 -1.825 -3.191 0.033 1.00 0.00 C ATOM 0 H ILE A 87 0.004 -7.315 0.254 1.00 0.00 H new ATOM 0 HA ILE A 87 -1.793 -6.306 2.382 1.00 0.00 H new ATOM 0 HB ILE A 87 -0.168 -4.808 2.504 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -2.544 -3.903 1.935 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -1.207 -2.777 2.055 1.00 0.00 H new ATOM 0 HG21 ILE A 87 0.921 -3.546 0.646 1.00 0.00 H new ATOM 0 HG22 ILE A 87 1.317 -5.281 0.691 1.00 0.00 H new ATOM 0 HG23 ILE A 87 0.149 -4.666 -0.502 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -2.525 -2.356 0.003 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -0.877 -2.885 -0.409 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -2.235 -4.029 -0.531 1.00 0.00 H new ATOM 1252 N GLU A 88 -3.590 -5.985 0.649 1.00 0.00 N ATOM 1253 CA GLU A 88 -4.669 -5.893 -0.331 1.00 0.00 C ATOM 1254 C GLU A 88 -4.836 -4.436 -0.748 1.00 0.00 C ATOM 1255 O GLU A 88 -5.012 -3.601 0.132 1.00 0.00 O ATOM 1256 CB GLU A 88 -5.998 -6.357 0.268 1.00 0.00 C ATOM 1257 CG GLU A 88 -5.997 -7.629 1.114 1.00 0.00 C ATOM 1258 CD GLU A 88 -7.336 -7.838 1.821 1.00 0.00 C ATOM 1259 OE1 GLU A 88 -8.283 -7.074 1.517 1.00 0.00 O ATOM 1260 OE2 GLU A 88 -7.390 -8.739 2.682 1.00 0.00 O ATOM 0 H GLU A 88 -3.882 -5.739 1.595 1.00 0.00 H new ATOM 0 HA GLU A 88 -4.411 -6.527 -1.180 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -6.388 -5.547 0.884 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -6.702 -6.502 -0.552 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -5.783 -8.488 0.479 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -5.199 -7.573 1.855 1.00 0.00 H new ATOM 1267 N THR A 89 -4.817 -4.113 -2.042 1.00 0.00 N ATOM 1268 CA THR A 89 -5.002 -2.731 -2.501 1.00 0.00 C ATOM 1269 C THR A 89 -6.508 -2.448 -2.651 1.00 0.00 C ATOM 1270 O THR A 89 -7.320 -3.344 -2.431 1.00 0.00 O ATOM 1271 CB THR A 89 -4.196 -2.475 -3.793 1.00 0.00 C ATOM 1272 OG1 THR A 89 -4.802 -3.121 -4.887 1.00 0.00 O ATOM 1273 CG2 THR A 89 -2.752 -2.954 -3.650 1.00 0.00 C ATOM 0 H THR A 89 -4.675 -4.788 -2.793 1.00 0.00 H new ATOM 0 HA THR A 89 -4.611 -2.029 -1.764 1.00 0.00 H new ATOM 0 HB THR A 89 -4.187 -1.399 -3.969 1.00 0.00 H new ATOM 0 HG1 THR A 89 -5.553 -2.581 -5.211 1.00 0.00 H new ATOM 0 HG21 THR A 89 -2.211 -2.760 -4.576 1.00 0.00 H new ATOM 0 HG22 THR A 89 -2.271 -2.421 -2.830 1.00 0.00 H new ATOM 0 HG23 THR A 89 -2.742 -4.024 -3.442 1.00 0.00 H new ATOM 1281 N HIS A 90 -6.885 -1.220 -3.033 1.00 0.00 N ATOM 1282 CA HIS A 90 -8.273 -0.821 -3.291 1.00 0.00 C ATOM 1283 C HIS A 90 -9.119 -0.868 -2.014 1.00 0.00 C ATOM 1284 O HIS A 90 -10.164 -1.513 -1.994 1.00 0.00 O ATOM 1285 CB HIS A 90 -8.930 -1.660 -4.412 1.00 0.00 C ATOM 1286 CG HIS A 90 -8.235 -1.664 -5.750 1.00 0.00 C ATOM 1287 ND1 HIS A 90 -6.892 -1.839 -5.966 1.00 0.00 N ATOM 1288 CD2 HIS A 90 -8.837 -1.598 -6.978 1.00 0.00 C ATOM 1289 CE1 HIS A 90 -6.685 -1.902 -7.287 1.00 0.00 C ATOM 1290 NE2 HIS A 90 -7.843 -1.755 -7.949 1.00 0.00 N ATOM 0 H HIS A 90 -6.218 -0.461 -3.174 1.00 0.00 H new ATOM 0 HA HIS A 90 -8.235 0.211 -3.638 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -9.007 -2.691 -4.065 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -9.947 -1.296 -4.558 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -9.891 -1.451 -7.163 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -5.722 -2.050 -7.754 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -7.973 -1.757 -8.961 1.00 0.00 H new ATOM 1298 N LYS A 91 -8.678 -0.188 -0.947 1.00 0.00 N ATOM 1299 CA LYS A 91 -9.371 -0.202 0.341 1.00 0.00 C ATOM 1300 C LYS A 91 -9.772 1.192 0.811 1.00 0.00 C ATOM 1301 O LYS A 91 -10.093 1.364 1.985 1.00 0.00 O ATOM 1302 CB LYS A 91 -8.522 -0.953 1.371 1.00 0.00 C ATOM 1303 CG LYS A 91 -8.143 -2.340 0.837 1.00 0.00 C ATOM 1304 CD LYS A 91 -9.365 -3.232 0.721 1.00 0.00 C ATOM 1305 CE LYS A 91 -9.141 -4.449 -0.173 1.00 0.00 C ATOM 1306 NZ LYS A 91 -9.985 -5.577 0.258 1.00 0.00 N ATOM 0 H LYS A 91 -7.834 0.384 -0.956 1.00 0.00 H new ATOM 0 HA LYS A 91 -10.313 -0.736 0.218 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -7.620 -0.383 1.595 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -9.075 -1.054 2.305 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -7.668 -2.240 -0.139 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -7.413 -2.802 1.502 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -9.656 -3.569 1.716 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -10.197 -2.648 0.326 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -9.369 -4.193 -1.208 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -8.091 -4.741 -0.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -10.139 -6.221 -0.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -9.511 -6.090 1.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -10.901 -5.217 0.594 1.00 0.00 H new ATOM 1320 N GLU A 92 -9.811 2.159 -0.111 1.00 0.00 N ATOM 1321 CA GLU A 92 -10.303 3.506 0.142 1.00 0.00 C ATOM 1322 C GLU A 92 -11.626 3.418 0.905 1.00 0.00 C ATOM 1323 O GLU A 92 -11.692 3.685 2.107 1.00 0.00 O ATOM 1324 CB GLU A 92 -10.445 4.236 -1.209 1.00 0.00 C ATOM 1325 CG GLU A 92 -10.780 5.722 -1.030 1.00 0.00 C ATOM 1326 CD GLU A 92 -12.243 6.011 -1.330 1.00 0.00 C ATOM 1327 OE1 GLU A 92 -12.529 6.246 -2.523 1.00 0.00 O ATOM 1328 OE2 GLU A 92 -13.035 5.970 -0.367 1.00 0.00 O ATOM 0 H GLU A 92 -9.494 2.019 -1.070 1.00 0.00 H new ATOM 0 HA GLU A 92 -9.609 4.077 0.759 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -9.517 4.139 -1.772 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -11.227 3.757 -1.799 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -10.552 6.026 -0.008 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -10.149 6.319 -1.689 1.00 0.00 H new ATOM 1335 N GLU A 93 -12.650 2.899 0.229 1.00 0.00 N ATOM 1336 CA GLU A 93 -13.984 2.797 0.780 1.00 0.00 C ATOM 1337 C GLU A 93 -14.153 1.571 1.700 1.00 0.00 C ATOM 1338 O GLU A 93 -15.274 1.115 1.908 1.00 0.00 O ATOM 1339 CB GLU A 93 -14.993 2.838 -0.386 1.00 0.00 C ATOM 1340 CG GLU A 93 -14.850 1.672 -1.383 1.00 0.00 C ATOM 1341 CD GLU A 93 -15.764 1.835 -2.592 1.00 0.00 C ATOM 1342 OE1 GLU A 93 -16.984 1.995 -2.372 1.00 0.00 O ATOM 1343 OE2 GLU A 93 -15.228 1.777 -3.720 1.00 0.00 O ATOM 0 H GLU A 93 -12.568 2.538 -0.721 1.00 0.00 H new ATOM 0 HA GLU A 93 -14.176 3.645 1.437 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -16.004 2.831 0.022 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -14.873 3.778 -0.924 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -13.815 1.607 -1.718 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -15.081 0.734 -0.878 1.00 0.00 H new ATOM 1350 N GLU A 94 -13.054 1.044 2.265 1.00 0.00 N ATOM 1351 CA GLU A 94 -13.068 0.021 3.301 1.00 0.00 C ATOM 1352 C GLU A 94 -12.485 0.563 4.611 1.00 0.00 C ATOM 1353 O GLU A 94 -12.719 -0.051 5.655 1.00 0.00 O ATOM 1354 CB GLU A 94 -12.267 -1.220 2.875 1.00 0.00 C ATOM 1355 CG GLU A 94 -12.960 -2.154 1.866 1.00 0.00 C ATOM 1356 CD GLU A 94 -12.535 -3.612 2.073 1.00 0.00 C ATOM 1357 OE1 GLU A 94 -12.574 -4.081 3.234 1.00 0.00 O ATOM 1358 OE2 GLU A 94 -12.109 -4.244 1.080 1.00 0.00 O ATOM 0 H GLU A 94 -12.112 1.331 2.001 1.00 0.00 H new ATOM 0 HA GLU A 94 -14.109 -0.263 3.454 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -11.322 -0.888 2.444 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -12.025 -1.797 3.768 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -14.041 -2.070 1.973 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -12.715 -1.842 0.851 1.00 0.00 H new ATOM 1365 N ILE A 95 -11.677 1.634 4.581 1.00 0.00 N ATOM 1366 CA ILE A 95 -11.113 2.200 5.789 1.00 0.00 C ATOM 1367 C ILE A 95 -12.021 3.250 6.423 1.00 0.00 C ATOM 1368 O ILE A 95 -12.130 3.287 7.650 1.00 0.00 O ATOM 1369 CB ILE A 95 -9.672 2.687 5.579 1.00 0.00 C ATOM 1370 CG1 ILE A 95 -9.552 3.792 4.537 1.00 0.00 C ATOM 1371 CG2 ILE A 95 -8.782 1.501 5.216 1.00 0.00 C ATOM 1372 CD1 ILE A 95 -8.272 4.590 4.712 1.00 0.00 C ATOM 0 H ILE A 95 -11.406 2.118 3.725 1.00 0.00 H new ATOM 0 HA ILE A 95 -11.053 1.393 6.519 1.00 0.00 H new ATOM 0 HB ILE A 95 -9.341 3.129 6.519 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -9.575 3.355 3.539 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -10.411 4.459 4.613 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -7.759 1.846 5.067 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -8.804 0.769 6.023 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -9.147 1.040 4.298 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -8.222 5.369 3.951 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -8.261 5.048 5.701 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -7.413 3.927 4.610 1.00 0.00 H new ATOM 1384 N VAL A 96 -12.612 4.127 5.608 1.00 0.00 N ATOM 1385 CA VAL A 96 -13.448 5.212 6.100 1.00 0.00 C ATOM 1386 C VAL A 96 -14.848 4.687 6.434 1.00 0.00 C ATOM 1387 O VAL A 96 -15.559 5.403 7.173 1.00 0.00 O ATOM 1388 CB VAL A 96 -13.476 6.381 5.097 1.00 0.00 C ATOM 1389 CG1 VAL A 96 -12.072 6.962 4.855 1.00 0.00 C ATOM 1390 CG2 VAL A 96 -14.108 5.990 3.753 1.00 0.00 C ATOM 1391 OXT VAL A 96 -15.191 3.588 5.941 1.00 0.00 O ATOM 0 H VAL A 96 -12.522 4.101 4.592 1.00 0.00 H new ATOM 0 HA VAL A 96 -13.020 5.606 7.022 1.00 0.00 H new ATOM 0 HB VAL A 96 -14.101 7.147 5.556 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -12.136 7.784 4.142 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -11.663 7.329 5.796 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -11.421 6.185 4.455 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -14.102 6.851 3.084 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -13.536 5.178 3.304 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -15.135 5.664 3.915 1.00 0.00 H new