USER MOD reduce.3.24.130724 H: found=0, std=0, add=745, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 749 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 101 LYS NZ :NH3+ 160:sc= 0.462 (180deg=0) USER MOD Set 1.2: A 105 GLN : amide:sc= -1.3 K(o=-0.84,f=-2.1) USER MOD Set 2.1: A 59 MET CE :methyl -157:sc= -9.03! (180deg=-6.95!) USER MOD Set 2.2: A 88 MET CE :methyl 146:sc= -13.3! (180deg=-15.3!) USER MOD Set 2.3: B 72 THR OG1 : rot 75:sc= -3.47! USER MOD Set 3.1: A 51 THR OG1 : rot 176:sc= -2.49 USER MOD Set 3.2: A 97 MET CE :methyl -112:sc= -4.79 (180deg=-7.15!) USER MOD Set 4.1: A 28 THR OG1 : rot -155:sc= -5.31! USER MOD Set 4.2: A 39 THR OG1 : rot 180:sc= -1.77! USER MOD Set 5.1: A 3 HIS : no HE2:sc= -2.91 K(o=-2.8,f=-3.6) USER MOD Set 5.2: A 103 THR OG1 : rot -147:sc= 0.143 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -0.851 K(o=-0.85,f=-3!) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot -39:sc= -2.68! USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.0147 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= -2.72! K(o=-2.7!,f=-1.7) USER MOD Single : A 43 SER OG : rot -170:sc= 0 USER MOD Single : A 44 THR OG1 : rot 170:sc= -3.44! USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -4.28 K(o=-4.3,f=-15!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 72:sc= -2.45! USER MOD Single : A 57 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.253) USER MOD Single : A 58 MET CE :methyl -148:sc= -1.7 (180deg=-4.16!) USER MOD Single : A 87 HIS : no HE2:sc= -6.15! C(o=-6.1!,f=-7.5!) USER MOD Single : A 90 SER OG : rot 15:sc= 0.00785 USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 ASN : amide:sc= -0.154 X(o=-0.15,f=0) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= -0.0256 X(o=-0.026,f=-0.25) USER MOD Single : A 102 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 106 GLN : amide:sc= -0.326 K(o=-0.33,f=-1.2) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 111 TYR OH : rot -116:sc= 1.25 USER MOD Single : A 112 LYS NZ :NH3+ -122:sc= -0.263 (180deg=-4.54!) USER MOD ----------------------------------------------------------------- ATOM 28 N HIS A 3 1.437 -13.786 2.883 1.00 0.00 N ATOM 29 CA HIS A 3 1.855 -13.175 1.622 1.00 0.00 C ATOM 30 C HIS A 3 0.714 -13.144 0.618 1.00 0.00 C ATOM 31 O HIS A 3 0.255 -12.078 0.212 1.00 0.00 O ATOM 32 CB HIS A 3 3.058 -13.915 1.031 1.00 0.00 C ATOM 33 CG HIS A 3 4.271 -13.886 1.909 1.00 0.00 C ATOM 34 ND1 HIS A 3 4.254 -14.280 3.231 1.00 0.00 N ATOM 35 CD2 HIS A 3 5.545 -13.508 1.648 1.00 0.00 C ATOM 36 CE1 HIS A 3 5.464 -14.144 3.744 1.00 0.00 C ATOM 37 NE2 HIS A 3 6.265 -13.678 2.805 1.00 0.00 N ATOM 0 HA HIS A 3 2.148 -12.147 1.837 1.00 0.00 H new ATOM 0 HB2 HIS A 3 2.780 -14.952 0.844 1.00 0.00 H new ATOM 0 HB3 HIS A 3 3.308 -13.473 0.066 1.00 0.00 H new ATOM 0 HD1 HIS A 3 3.435 -14.623 3.734 1.00 0.00 H new ATOM 0 HD2 HIS A 3 5.924 -13.141 0.706 1.00 0.00 H new ATOM 0 HE1 HIS A 3 5.749 -14.375 4.760 1.00 0.00 H new ATOM 46 N SER A 4 0.258 -14.316 0.225 1.00 0.00 N ATOM 47 CA SER A 4 -0.838 -14.415 -0.727 1.00 0.00 C ATOM 48 C SER A 4 -2.170 -14.195 -0.028 1.00 0.00 C ATOM 49 O SER A 4 -2.444 -14.778 1.021 1.00 0.00 O ATOM 50 CB SER A 4 -0.842 -15.765 -1.441 1.00 0.00 C ATOM 51 OG SER A 4 -1.096 -16.824 -0.534 1.00 0.00 O ATOM 0 H SER A 4 0.625 -15.212 0.546 1.00 0.00 H new ATOM 0 HA SER A 4 -0.692 -13.637 -1.476 1.00 0.00 H new ATOM 0 HB2 SER A 4 -1.601 -15.763 -2.224 1.00 0.00 H new ATOM 0 HB3 SER A 4 0.119 -15.924 -1.929 1.00 0.00 H new ATOM 0 HG SER A 4 -1.095 -17.676 -1.018 1.00 0.00 H new ATOM 57 N GLY A 5 -2.984 -13.345 -0.623 1.00 0.00 N ATOM 58 CA GLY A 5 -4.283 -13.033 -0.072 1.00 0.00 C ATOM 59 C GLY A 5 -5.173 -12.406 -1.114 1.00 0.00 C ATOM 60 O GLY A 5 -4.761 -12.242 -2.259 1.00 0.00 O ATOM 0 H GLY A 5 -2.765 -12.858 -1.492 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -4.748 -13.942 0.310 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -4.170 -12.353 0.773 1.00 0.00 H new ATOM 64 N ALA A 6 -6.391 -12.055 -0.738 1.00 0.00 N ATOM 65 CA ALA A 6 -7.309 -11.444 -1.683 1.00 0.00 C ATOM 66 C ALA A 6 -7.464 -9.956 -1.415 1.00 0.00 C ATOM 67 O ALA A 6 -7.528 -9.520 -0.266 1.00 0.00 O ATOM 68 CB ALA A 6 -8.658 -12.138 -1.651 1.00 0.00 C ATOM 0 H ALA A 6 -6.764 -12.181 0.203 1.00 0.00 H new ATOM 0 HA ALA A 6 -6.887 -11.563 -2.681 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -9.329 -11.663 -2.367 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -8.533 -13.189 -1.913 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -9.083 -12.062 -0.650 1.00 0.00 H new ATOM 74 N ALA A 7 -7.522 -9.184 -2.490 1.00 0.00 N ATOM 75 CA ALA A 7 -7.668 -7.740 -2.394 1.00 0.00 C ATOM 76 C ALA A 7 -8.415 -7.197 -3.602 1.00 0.00 C ATOM 77 O ALA A 7 -8.500 -7.862 -4.635 1.00 0.00 O ATOM 78 CB ALA A 7 -6.306 -7.075 -2.266 1.00 0.00 C ATOM 0 H ALA A 7 -7.470 -9.537 -3.445 1.00 0.00 H new ATOM 0 HA ALA A 7 -8.249 -7.512 -1.500 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -6.434 -5.995 -2.195 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -5.805 -7.441 -1.369 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -5.702 -7.312 -3.141 1.00 0.00 H new ATOM 84 N ILE A 8 -8.961 -5.994 -3.475 1.00 0.00 N ATOM 85 CA ILE A 8 -9.701 -5.393 -4.573 1.00 0.00 C ATOM 86 C ILE A 8 -9.268 -3.955 -4.830 1.00 0.00 C ATOM 87 O ILE A 8 -8.943 -3.212 -3.904 1.00 0.00 O ATOM 88 CB ILE A 8 -11.218 -5.425 -4.311 1.00 0.00 C ATOM 89 CG1 ILE A 8 -11.700 -6.866 -4.178 1.00 0.00 C ATOM 90 CG2 ILE A 8 -11.960 -4.723 -5.437 1.00 0.00 C ATOM 91 CD1 ILE A 8 -12.794 -7.044 -3.150 1.00 0.00 C ATOM 0 H ILE A 8 -8.906 -5.422 -2.632 1.00 0.00 H new ATOM 0 HA ILE A 8 -9.476 -5.989 -5.458 1.00 0.00 H new ATOM 0 HB ILE A 8 -11.423 -4.901 -3.377 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -12.063 -7.210 -5.146 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -10.855 -7.500 -3.911 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -13.032 -4.752 -5.240 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -11.631 -3.686 -5.499 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -11.750 -5.227 -6.381 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -13.088 -8.093 -3.109 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -12.429 -6.731 -2.172 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -13.656 -6.437 -3.427 1.00 0.00 H new ATOM 103 N PHE A 9 -9.281 -3.576 -6.101 1.00 0.00 N ATOM 104 CA PHE A 9 -8.906 -2.230 -6.510 1.00 0.00 C ATOM 105 C PHE A 9 -9.729 -1.796 -7.721 1.00 0.00 C ATOM 106 O PHE A 9 -10.027 -2.604 -8.600 1.00 0.00 O ATOM 107 CB PHE A 9 -7.413 -2.166 -6.831 1.00 0.00 C ATOM 108 CG PHE A 9 -6.905 -0.767 -7.014 1.00 0.00 C ATOM 109 CD1 PHE A 9 -7.318 -0.008 -8.094 1.00 0.00 C ATOM 110 CD2 PHE A 9 -6.019 -0.210 -6.106 1.00 0.00 C ATOM 111 CE1 PHE A 9 -6.857 1.283 -8.269 1.00 0.00 C ATOM 112 CE2 PHE A 9 -5.554 1.081 -6.274 1.00 0.00 C ATOM 113 CZ PHE A 9 -5.973 1.828 -7.358 1.00 0.00 C ATOM 0 H PHE A 9 -9.550 -4.188 -6.872 1.00 0.00 H new ATOM 0 HA PHE A 9 -9.112 -1.547 -5.686 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -6.855 -2.646 -6.027 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -7.219 -2.737 -7.739 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -8.009 -0.429 -8.809 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -5.688 -0.791 -5.258 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -7.187 1.865 -9.117 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -4.864 1.505 -5.559 1.00 0.00 H new ATOM 0 HZ PHE A 9 -5.610 2.836 -7.493 1.00 0.00 H new ATOM 123 N GLU A 10 -10.105 -0.520 -7.755 1.00 0.00 N ATOM 124 CA GLU A 10 -10.907 0.017 -8.853 1.00 0.00 C ATOM 125 C GLU A 10 -12.126 -0.860 -9.112 1.00 0.00 C ATOM 126 O GLU A 10 -12.517 -1.081 -10.258 1.00 0.00 O ATOM 127 CB GLU A 10 -10.074 0.144 -10.129 1.00 0.00 C ATOM 128 CG GLU A 10 -9.548 1.548 -10.359 1.00 0.00 C ATOM 129 CD GLU A 10 -8.469 1.601 -11.423 1.00 0.00 C ATOM 130 OE1 GLU A 10 -7.454 0.887 -11.276 1.00 0.00 O ATOM 131 OE2 GLU A 10 -8.639 2.356 -12.404 1.00 0.00 O ATOM 0 H GLU A 10 -9.867 0.162 -7.035 1.00 0.00 H new ATOM 0 HA GLU A 10 -11.246 1.011 -8.560 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -9.234 -0.548 -10.078 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -10.681 -0.155 -10.983 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -10.373 2.197 -10.651 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -9.150 1.940 -9.423 1.00 0.00 H new ATOM 138 N LYS A 11 -12.724 -1.356 -8.036 1.00 0.00 N ATOM 139 CA LYS A 11 -13.900 -2.209 -8.144 1.00 0.00 C ATOM 140 C LYS A 11 -13.568 -3.512 -8.868 1.00 0.00 C ATOM 141 O LYS A 11 -14.463 -4.220 -9.328 1.00 0.00 O ATOM 142 CB LYS A 11 -15.030 -1.477 -8.880 1.00 0.00 C ATOM 143 CG LYS A 11 -14.940 0.041 -8.803 1.00 0.00 C ATOM 144 CD LYS A 11 -16.282 0.694 -9.091 1.00 0.00 C ATOM 145 CE LYS A 11 -16.428 1.039 -10.564 1.00 0.00 C ATOM 146 NZ LYS A 11 -16.079 2.460 -10.840 1.00 0.00 N ATOM 0 H LYS A 11 -12.414 -1.182 -7.080 1.00 0.00 H new ATOM 0 HA LYS A 11 -14.231 -2.449 -7.134 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -15.022 -1.778 -9.928 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -15.986 -1.795 -8.464 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -14.596 0.336 -7.812 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -14.199 0.399 -9.518 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -17.087 0.022 -8.792 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -16.384 1.599 -8.492 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -15.785 0.386 -11.155 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -17.453 0.849 -10.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -16.192 2.654 -11.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -16.709 3.084 -10.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -15.093 2.636 -10.561 1.00 0.00 H new ATOM 160 N VAL A 12 -12.278 -3.831 -8.958 1.00 0.00 N ATOM 161 CA VAL A 12 -11.841 -5.056 -9.617 1.00 0.00 C ATOM 162 C VAL A 12 -11.160 -5.974 -8.614 1.00 0.00 C ATOM 163 O VAL A 12 -10.169 -5.595 -7.993 1.00 0.00 O ATOM 164 CB VAL A 12 -10.870 -4.765 -10.778 1.00 0.00 C ATOM 165 CG1 VAL A 12 -10.704 -5.996 -11.656 1.00 0.00 C ATOM 166 CG2 VAL A 12 -11.354 -3.578 -11.599 1.00 0.00 C ATOM 0 H VAL A 12 -11.521 -3.259 -8.584 1.00 0.00 H new ATOM 0 HA VAL A 12 -12.728 -5.541 -10.025 1.00 0.00 H new ATOM 0 HB VAL A 12 -9.897 -4.512 -10.357 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -10.015 -5.772 -12.470 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -10.306 -6.817 -11.060 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -11.672 -6.282 -12.068 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -10.654 -3.389 -12.413 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -12.339 -3.798 -12.010 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -11.415 -2.696 -10.962 1.00 0.00 H new ATOM 176 N SER A 13 -11.703 -7.175 -8.441 1.00 0.00 N ATOM 177 CA SER A 13 -11.142 -8.122 -7.487 1.00 0.00 C ATOM 178 C SER A 13 -10.018 -8.948 -8.093 1.00 0.00 C ATOM 179 O SER A 13 -9.943 -9.137 -9.306 1.00 0.00 O ATOM 180 CB SER A 13 -12.225 -9.045 -6.934 1.00 0.00 C ATOM 181 OG SER A 13 -12.886 -9.741 -7.976 1.00 0.00 O ATOM 0 H SER A 13 -12.523 -7.512 -8.944 1.00 0.00 H new ATOM 0 HA SER A 13 -10.722 -7.534 -6.671 1.00 0.00 H new ATOM 0 HB2 SER A 13 -11.779 -9.759 -6.242 1.00 0.00 H new ATOM 0 HB3 SER A 13 -12.949 -8.461 -6.367 1.00 0.00 H new ATOM 0 HG SER A 13 -13.573 -10.326 -7.594 1.00 0.00 H new ATOM 187 N GLY A 14 -9.139 -9.417 -7.216 1.00 0.00 N ATOM 188 CA GLY A 14 -7.995 -10.205 -7.624 1.00 0.00 C ATOM 189 C GLY A 14 -7.257 -10.764 -6.425 1.00 0.00 C ATOM 190 O GLY A 14 -7.676 -10.555 -5.286 1.00 0.00 O ATOM 0 H GLY A 14 -9.203 -9.260 -6.210 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -8.324 -11.023 -8.265 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -7.318 -9.589 -8.216 1.00 0.00 H new ATOM 194 N ILE A 15 -6.159 -11.467 -6.666 1.00 0.00 N ATOM 195 CA ILE A 15 -5.381 -12.037 -5.576 1.00 0.00 C ATOM 196 C ILE A 15 -4.086 -11.260 -5.407 1.00 0.00 C ATOM 197 O ILE A 15 -3.411 -10.924 -6.380 1.00 0.00 O ATOM 198 CB ILE A 15 -5.048 -13.527 -5.809 1.00 0.00 C ATOM 199 CG1 ILE A 15 -6.250 -14.258 -6.410 1.00 0.00 C ATOM 200 CG2 ILE A 15 -4.621 -14.187 -4.501 1.00 0.00 C ATOM 201 CD1 ILE A 15 -6.227 -14.319 -7.922 1.00 0.00 C ATOM 0 H ILE A 15 -5.790 -11.655 -7.598 1.00 0.00 H new ATOM 0 HA ILE A 15 -5.990 -11.966 -4.675 1.00 0.00 H new ATOM 0 HB ILE A 15 -4.220 -13.589 -6.515 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -6.283 -15.273 -6.014 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -7.165 -13.761 -6.088 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -4.390 -15.237 -4.682 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -3.737 -13.683 -4.111 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -5.431 -14.114 -3.775 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -7.109 -14.851 -8.278 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -6.226 -13.307 -8.327 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -5.330 -14.843 -8.251 1.00 0.00 H new ATOM 213 N ILE A 16 -3.773 -10.951 -4.160 1.00 0.00 N ATOM 214 CA ILE A 16 -2.590 -10.180 -3.827 1.00 0.00 C ATOM 215 C ILE A 16 -1.508 -11.079 -3.228 1.00 0.00 C ATOM 216 O ILE A 16 -1.765 -11.829 -2.288 1.00 0.00 O ATOM 217 CB ILE A 16 -2.964 -9.064 -2.831 1.00 0.00 C ATOM 218 CG1 ILE A 16 -1.754 -8.203 -2.484 1.00 0.00 C ATOM 219 CG2 ILE A 16 -3.587 -9.655 -1.574 1.00 0.00 C ATOM 220 CD1 ILE A 16 -2.140 -6.830 -1.982 1.00 0.00 C ATOM 0 H ILE A 16 -4.331 -11.227 -3.352 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.195 -9.733 -4.739 1.00 0.00 H new ATOM 0 HB ILE A 16 -3.701 -8.420 -3.310 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -1.159 -8.709 -1.724 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -1.122 -8.099 -3.366 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -3.844 -8.852 -0.883 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -4.488 -10.208 -1.840 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -2.875 -10.329 -1.098 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -1.240 -6.261 -1.750 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -2.711 -6.309 -2.750 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.748 -6.929 -1.083 1.00 0.00 H new ATOM 232 N ALA A 17 -0.304 -11.024 -3.795 1.00 0.00 N ATOM 233 CA ALA A 17 0.795 -11.866 -3.322 1.00 0.00 C ATOM 234 C ALA A 17 2.106 -11.097 -3.181 1.00 0.00 C ATOM 235 O ALA A 17 2.419 -10.226 -3.992 1.00 0.00 O ATOM 236 CB ALA A 17 0.990 -13.032 -4.275 1.00 0.00 C ATOM 0 H ALA A 17 -0.065 -10.412 -4.575 1.00 0.00 H new ATOM 0 HA ALA A 17 0.522 -12.226 -2.330 1.00 0.00 H new ATOM 0 HB1 ALA A 17 1.809 -13.658 -3.921 1.00 0.00 H new ATOM 0 HB2 ALA A 17 0.075 -13.623 -4.319 1.00 0.00 H new ATOM 0 HB3 ALA A 17 1.226 -12.653 -5.269 1.00 0.00 H new ATOM 242 N ILE A 18 2.879 -11.451 -2.153 1.00 0.00 N ATOM 243 CA ILE A 18 4.174 -10.824 -1.901 1.00 0.00 C ATOM 244 C ILE A 18 5.299 -11.620 -2.558 1.00 0.00 C ATOM 245 O ILE A 18 5.252 -12.849 -2.615 1.00 0.00 O ATOM 246 CB ILE A 18 4.468 -10.709 -0.391 1.00 0.00 C ATOM 247 CG1 ILE A 18 3.241 -10.193 0.365 1.00 0.00 C ATOM 248 CG2 ILE A 18 5.663 -9.798 -0.154 1.00 0.00 C ATOM 249 CD1 ILE A 18 2.623 -8.952 -0.242 1.00 0.00 C ATOM 0 H ILE A 18 2.627 -12.173 -1.479 1.00 0.00 H new ATOM 0 HA ILE A 18 4.127 -9.823 -2.330 1.00 0.00 H new ATOM 0 HB ILE A 18 4.706 -11.703 -0.011 1.00 0.00 H new ATOM 0 HG12 ILE A 18 2.489 -10.982 0.399 1.00 0.00 H new ATOM 0 HG13 ILE A 18 3.525 -9.979 1.395 1.00 0.00 H new ATOM 0 HG21 ILE A 18 5.859 -9.726 0.916 1.00 0.00 H new ATOM 0 HG22 ILE A 18 6.539 -10.208 -0.657 1.00 0.00 H new ATOM 0 HG23 ILE A 18 5.449 -8.806 -0.551 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.760 -8.649 0.350 1.00 0.00 H new ATOM 0 HD12 ILE A 18 3.358 -8.147 -0.251 1.00 0.00 H new ATOM 0 HD13 ILE A 18 2.306 -9.165 -1.263 1.00 0.00 H new ATOM 261 N ASN A 19 6.306 -10.911 -3.053 1.00 0.00 N ATOM 262 CA ASN A 19 7.446 -11.543 -3.709 1.00 0.00 C ATOM 263 C ASN A 19 8.748 -11.167 -3.022 1.00 0.00 C ATOM 264 O ASN A 19 9.192 -10.022 -3.089 1.00 0.00 O ATOM 265 CB ASN A 19 7.500 -11.133 -5.182 1.00 0.00 C ATOM 266 CG ASN A 19 8.007 -12.249 -6.074 1.00 0.00 C ATOM 267 OD1 ASN A 19 9.204 -12.347 -6.347 1.00 0.00 O ATOM 268 ND2 ASN A 19 7.096 -13.099 -6.534 1.00 0.00 N ATOM 0 H ASN A 19 6.357 -9.893 -3.013 1.00 0.00 H new ATOM 0 HA ASN A 19 7.320 -12.623 -3.639 1.00 0.00 H new ATOM 0 HB2 ASN A 19 6.505 -10.833 -5.510 1.00 0.00 H new ATOM 0 HB3 ASN A 19 8.147 -10.262 -5.291 1.00 0.00 H new ATOM 0 HD21 ASN A 19 7.378 -13.871 -7.139 1.00 0.00 H new ATOM 0 HD22 ASN A 19 6.115 -12.980 -6.282 1.00 0.00 H new ATOM 275 N GLU A 20 9.363 -12.151 -2.376 1.00 0.00 N ATOM 276 CA GLU A 20 10.628 -11.941 -1.690 1.00 0.00 C ATOM 277 C GLU A 20 11.725 -12.743 -2.370 1.00 0.00 C ATOM 278 O GLU A 20 12.695 -13.164 -1.740 1.00 0.00 O ATOM 279 CB GLU A 20 10.517 -12.335 -0.216 1.00 0.00 C ATOM 280 CG GLU A 20 11.441 -11.546 0.697 1.00 0.00 C ATOM 281 CD GLU A 20 10.930 -11.474 2.122 1.00 0.00 C ATOM 282 OE1 GLU A 20 9.701 -11.576 2.319 1.00 0.00 O ATOM 283 OE2 GLU A 20 11.759 -11.315 3.043 1.00 0.00 O ATOM 0 H GLU A 20 9.003 -13.103 -2.314 1.00 0.00 H new ATOM 0 HA GLU A 20 10.879 -10.882 -1.741 1.00 0.00 H new ATOM 0 HB2 GLU A 20 9.487 -12.193 0.113 1.00 0.00 H new ATOM 0 HB3 GLU A 20 10.740 -13.397 -0.115 1.00 0.00 H new ATOM 0 HG2 GLU A 20 12.430 -12.005 0.692 1.00 0.00 H new ATOM 0 HG3 GLU A 20 11.557 -10.536 0.305 1.00 0.00 H new ATOM 290 N ASP A 21 11.552 -12.944 -3.668 1.00 0.00 N ATOM 291 CA ASP A 21 12.514 -13.693 -4.468 1.00 0.00 C ATOM 292 C ASP A 21 13.364 -12.753 -5.317 1.00 0.00 C ATOM 293 O ASP A 21 14.467 -13.106 -5.733 1.00 0.00 O ATOM 294 CB ASP A 21 11.789 -14.696 -5.367 1.00 0.00 C ATOM 295 CG ASP A 21 11.551 -16.025 -4.676 1.00 0.00 C ATOM 296 OD1 ASP A 21 10.798 -16.049 -3.679 1.00 0.00 O ATOM 297 OD2 ASP A 21 12.117 -17.041 -5.130 1.00 0.00 O ATOM 0 H ASP A 21 10.750 -12.597 -4.194 1.00 0.00 H new ATOM 0 HA ASP A 21 13.172 -14.234 -3.788 1.00 0.00 H new ATOM 0 HB2 ASP A 21 10.833 -14.275 -5.679 1.00 0.00 H new ATOM 0 HB3 ASP A 21 12.375 -14.860 -6.271 1.00 0.00 H new ATOM 302 N VAL A 22 12.847 -11.552 -5.567 1.00 0.00 N ATOM 303 CA VAL A 22 13.570 -10.564 -6.365 1.00 0.00 C ATOM 304 C VAL A 22 14.215 -9.513 -5.467 1.00 0.00 C ATOM 305 O VAL A 22 13.908 -9.430 -4.278 1.00 0.00 O ATOM 306 CB VAL A 22 12.654 -9.857 -7.395 1.00 0.00 C ATOM 307 CG1 VAL A 22 12.983 -10.320 -8.807 1.00 0.00 C ATOM 308 CG2 VAL A 22 11.181 -10.092 -7.085 1.00 0.00 C ATOM 0 H VAL A 22 11.936 -11.241 -5.231 1.00 0.00 H new ATOM 0 HA VAL A 22 14.340 -11.109 -6.911 1.00 0.00 H new ATOM 0 HB VAL A 22 12.841 -8.785 -7.325 1.00 0.00 H new ATOM 0 HG11 VAL A 22 12.330 -9.813 -9.518 1.00 0.00 H new ATOM 0 HG12 VAL A 22 14.022 -10.082 -9.035 1.00 0.00 H new ATOM 0 HG13 VAL A 22 12.833 -11.397 -8.881 1.00 0.00 H new ATOM 0 HG21 VAL A 22 10.567 -9.582 -7.827 1.00 0.00 H new ATOM 0 HG22 VAL A 22 10.970 -11.161 -7.112 1.00 0.00 H new ATOM 0 HG23 VAL A 22 10.951 -9.702 -6.094 1.00 0.00 H new ATOM 318 N SER A 23 15.110 -8.707 -6.039 1.00 0.00 N ATOM 319 CA SER A 23 15.791 -7.664 -5.276 1.00 0.00 C ATOM 320 C SER A 23 14.781 -6.832 -4.487 1.00 0.00 C ATOM 321 O SER A 23 14.745 -6.898 -3.258 1.00 0.00 O ATOM 322 CB SER A 23 16.617 -6.768 -6.198 1.00 0.00 C ATOM 323 OG SER A 23 17.976 -7.167 -6.215 1.00 0.00 O ATOM 0 H SER A 23 15.378 -8.756 -7.022 1.00 0.00 H new ATOM 0 HA SER A 23 16.469 -8.146 -4.572 1.00 0.00 H new ATOM 0 HB2 SER A 23 16.211 -6.808 -7.209 1.00 0.00 H new ATOM 0 HB3 SER A 23 16.543 -5.733 -5.866 1.00 0.00 H new ATOM 0 HG SER A 23 18.482 -6.579 -6.814 1.00 0.00 H new ATOM 329 N PRO A 24 13.925 -6.052 -5.176 1.00 0.00 N ATOM 330 CA PRO A 24 12.910 -5.245 -4.513 1.00 0.00 C ATOM 331 C PRO A 24 11.713 -6.088 -4.121 1.00 0.00 C ATOM 332 O PRO A 24 10.751 -6.199 -4.881 1.00 0.00 O ATOM 333 CB PRO A 24 12.503 -4.237 -5.578 1.00 0.00 C ATOM 334 CG PRO A 24 12.708 -4.960 -6.866 1.00 0.00 C ATOM 335 CD PRO A 24 13.857 -5.915 -6.644 1.00 0.00 C ATOM 0 HA PRO A 24 13.279 -4.786 -3.595 1.00 0.00 H new ATOM 0 HB2 PRO A 24 11.465 -3.927 -5.457 1.00 0.00 H new ATOM 0 HB3 PRO A 24 13.113 -3.335 -5.526 1.00 0.00 H new ATOM 0 HG2 PRO A 24 11.806 -5.499 -7.156 1.00 0.00 H new ATOM 0 HG3 PRO A 24 12.934 -4.261 -7.671 1.00 0.00 H new ATOM 0 HD2 PRO A 24 13.677 -6.875 -7.127 1.00 0.00 H new ATOM 0 HD3 PRO A 24 14.788 -5.522 -7.052 1.00 0.00 H new ATOM 343 N ALA A 25 11.776 -6.683 -2.938 1.00 0.00 N ATOM 344 CA ALA A 25 10.684 -7.519 -2.452 1.00 0.00 C ATOM 345 C ALA A 25 9.369 -6.808 -2.678 1.00 0.00 C ATOM 346 O ALA A 25 8.988 -5.937 -1.907 1.00 0.00 O ATOM 347 CB ALA A 25 10.859 -7.855 -0.985 1.00 0.00 C ATOM 0 H ALA A 25 12.567 -6.604 -2.299 1.00 0.00 H new ATOM 0 HA ALA A 25 10.690 -8.457 -3.007 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.029 -8.479 -0.653 1.00 0.00 H new ATOM 0 HB2 ALA A 25 11.796 -8.393 -0.844 1.00 0.00 H new ATOM 0 HB3 ALA A 25 10.878 -6.935 -0.401 1.00 0.00 H new ATOM 353 N GLU A 26 8.715 -7.160 -3.768 1.00 0.00 N ATOM 354 CA GLU A 26 7.463 -6.530 -4.157 1.00 0.00 C ATOM 355 C GLU A 26 6.305 -7.515 -4.168 1.00 0.00 C ATOM 356 O GLU A 26 6.503 -8.718 -4.034 1.00 0.00 O ATOM 357 CB GLU A 26 7.626 -5.875 -5.523 1.00 0.00 C ATOM 358 CG GLU A 26 8.287 -6.773 -6.556 1.00 0.00 C ATOM 359 CD GLU A 26 7.637 -6.667 -7.922 1.00 0.00 C ATOM 360 OE1 GLU A 26 7.787 -5.609 -8.569 1.00 0.00 O ATOM 361 OE2 GLU A 26 6.979 -7.641 -8.344 1.00 0.00 O ATOM 0 H GLU A 26 9.033 -7.888 -4.408 1.00 0.00 H new ATOM 0 HA GLU A 26 7.222 -5.770 -3.414 1.00 0.00 H new ATOM 0 HB2 GLU A 26 6.645 -5.574 -5.891 1.00 0.00 H new ATOM 0 HB3 GLU A 26 8.218 -4.967 -5.412 1.00 0.00 H new ATOM 0 HG2 GLU A 26 9.342 -6.511 -6.638 1.00 0.00 H new ATOM 0 HG3 GLU A 26 8.241 -7.807 -6.215 1.00 0.00 H new ATOM 368 N LEU A 27 5.093 -6.989 -4.322 1.00 0.00 N ATOM 369 CA LEU A 27 3.901 -7.805 -4.339 1.00 0.00 C ATOM 370 C LEU A 27 3.049 -7.440 -5.538 1.00 0.00 C ATOM 371 O LEU A 27 2.924 -6.264 -5.881 1.00 0.00 O ATOM 372 CB LEU A 27 3.117 -7.619 -3.029 1.00 0.00 C ATOM 373 CG LEU A 27 1.892 -6.699 -3.097 1.00 0.00 C ATOM 374 CD1 LEU A 27 1.122 -6.746 -1.787 1.00 0.00 C ATOM 375 CD2 LEU A 27 2.307 -5.272 -3.417 1.00 0.00 C ATOM 0 H LEU A 27 4.919 -5.991 -4.437 1.00 0.00 H new ATOM 0 HA LEU A 27 4.181 -8.855 -4.421 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.790 -8.600 -2.683 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.799 -7.226 -2.275 1.00 0.00 H new ATOM 0 HG LEU A 27 1.242 -7.053 -3.897 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.255 -6.088 -1.851 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.790 -7.766 -1.597 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.768 -6.417 -0.973 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.422 -4.637 -3.460 1.00 0.00 H new ATOM 0 HD22 LEU A 27 2.979 -4.906 -2.641 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.818 -5.249 -4.380 1.00 0.00 H new ATOM 387 N THR A 28 2.465 -8.437 -6.182 1.00 0.00 N ATOM 388 CA THR A 28 1.636 -8.170 -7.339 1.00 0.00 C ATOM 389 C THR A 28 0.223 -8.677 -7.139 1.00 0.00 C ATOM 390 O THR A 28 -0.023 -9.662 -6.443 1.00 0.00 O ATOM 391 CB THR A 28 2.250 -8.760 -8.604 1.00 0.00 C ATOM 392 OG1 THR A 28 3.482 -8.134 -8.900 1.00 0.00 O ATOM 393 CG2 THR A 28 1.361 -8.634 -9.824 1.00 0.00 C ATOM 0 H THR A 28 2.549 -9.421 -5.927 1.00 0.00 H new ATOM 0 HA THR A 28 1.586 -7.088 -7.460 1.00 0.00 H new ATOM 0 HB THR A 28 2.387 -9.820 -8.389 1.00 0.00 H new ATOM 0 HG1 THR A 28 3.668 -8.216 -9.859 1.00 0.00 H new ATOM 0 HG21 THR A 28 1.862 -9.075 -10.686 1.00 0.00 H new ATOM 0 HG22 THR A 28 0.421 -9.156 -9.645 1.00 0.00 H new ATOM 0 HG23 THR A 28 1.160 -7.581 -10.020 1.00 0.00 H new ATOM 401 N TRP A 29 -0.694 -7.960 -7.752 1.00 0.00 N ATOM 402 CA TRP A 29 -2.110 -8.256 -7.674 1.00 0.00 C ATOM 403 C TRP A 29 -2.607 -8.828 -8.998 1.00 0.00 C ATOM 404 O TRP A 29 -2.209 -8.367 -10.064 1.00 0.00 O ATOM 405 CB TRP A 29 -2.843 -6.963 -7.332 1.00 0.00 C ATOM 406 CG TRP A 29 -4.299 -7.127 -7.065 1.00 0.00 C ATOM 407 CD1 TRP A 29 -4.880 -7.579 -5.917 1.00 0.00 C ATOM 408 CD2 TRP A 29 -5.362 -6.816 -7.963 1.00 0.00 C ATOM 409 NE1 TRP A 29 -6.245 -7.564 -6.045 1.00 0.00 N ATOM 410 CE2 TRP A 29 -6.566 -7.103 -7.295 1.00 0.00 C ATOM 411 CE3 TRP A 29 -5.412 -6.323 -9.270 1.00 0.00 C ATOM 412 CZ2 TRP A 29 -7.807 -6.911 -7.886 1.00 0.00 C ATOM 413 CZ3 TRP A 29 -6.650 -6.135 -9.857 1.00 0.00 C ATOM 414 CH2 TRP A 29 -7.832 -6.427 -9.165 1.00 0.00 C ATOM 0 H TRP A 29 -0.476 -7.145 -8.326 1.00 0.00 H new ATOM 0 HA TRP A 29 -2.299 -9.004 -6.904 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -2.374 -6.516 -6.455 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -2.715 -6.260 -8.155 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -4.344 -7.901 -5.037 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -6.912 -7.849 -5.328 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -4.505 -6.094 -9.809 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -8.720 -7.136 -7.355 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -6.706 -5.756 -10.867 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -8.783 -6.267 -9.651 1.00 0.00 H new ATOM 425 N ARG A 30 -3.467 -9.839 -8.931 1.00 0.00 N ATOM 426 CA ARG A 30 -3.996 -10.463 -10.142 1.00 0.00 C ATOM 427 C ARG A 30 -5.510 -10.627 -10.066 1.00 0.00 C ATOM 428 O ARG A 30 -6.025 -11.306 -9.180 1.00 0.00 O ATOM 429 CB ARG A 30 -3.336 -11.825 -10.366 1.00 0.00 C ATOM 430 CG ARG A 30 -3.308 -12.256 -11.823 1.00 0.00 C ATOM 431 CD ARG A 30 -3.275 -13.770 -11.955 1.00 0.00 C ATOM 432 NE ARG A 30 -1.919 -14.302 -11.832 1.00 0.00 N ATOM 433 CZ ARG A 30 -0.952 -14.079 -12.719 1.00 0.00 C ATOM 434 NH1 ARG A 30 -1.186 -13.335 -13.793 1.00 0.00 N ATOM 435 NH2 ARG A 30 0.252 -14.600 -12.531 1.00 0.00 N ATOM 0 H ARG A 30 -3.811 -10.242 -8.060 1.00 0.00 H new ATOM 0 HA ARG A 30 -3.767 -9.808 -10.982 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -2.315 -11.791 -9.986 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -3.868 -12.577 -9.784 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -4.186 -11.864 -12.337 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -2.434 -11.828 -12.314 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -3.910 -14.214 -11.188 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -3.691 -14.059 -12.920 1.00 0.00 H new ATOM 0 HE ARG A 30 -1.701 -14.878 -11.019 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -2.111 -12.931 -13.942 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -0.441 -13.167 -14.469 1.00 0.00 H new ATOM 0 HH21 ARG A 30 0.437 -15.172 -11.707 1.00 0.00 H new ATOM 0 HH22 ARG A 30 0.993 -14.429 -13.211 1.00 0.00 H new ATOM 449 N SER A 31 -6.220 -10.004 -11.002 1.00 0.00 N ATOM 450 CA SER A 31 -7.675 -10.086 -11.034 1.00 0.00 C ATOM 451 C SER A 31 -8.140 -11.509 -11.324 1.00 0.00 C ATOM 452 O SER A 31 -7.402 -12.312 -11.895 1.00 0.00 O ATOM 453 CB SER A 31 -8.235 -9.131 -12.089 1.00 0.00 C ATOM 454 OG SER A 31 -9.263 -8.319 -11.549 1.00 0.00 O ATOM 0 H SER A 31 -5.812 -9.438 -11.746 1.00 0.00 H new ATOM 0 HA SER A 31 -8.049 -9.797 -10.052 1.00 0.00 H new ATOM 0 HB2 SER A 31 -7.434 -8.500 -12.475 1.00 0.00 H new ATOM 0 HB3 SER A 31 -8.624 -9.703 -12.932 1.00 0.00 H new ATOM 0 HG SER A 31 -9.814 -8.852 -10.939 1.00 0.00 H new ATOM 460 N THR A 32 -9.374 -11.811 -10.932 1.00 0.00 N ATOM 461 CA THR A 32 -9.946 -13.133 -11.154 1.00 0.00 C ATOM 462 C THR A 32 -10.896 -13.110 -12.343 1.00 0.00 C ATOM 463 O THR A 32 -10.985 -14.073 -13.105 1.00 0.00 O ATOM 464 CB THR A 32 -10.685 -13.610 -9.903 1.00 0.00 C ATOM 465 OG1 THR A 32 -11.240 -12.512 -9.199 1.00 0.00 O ATOM 466 CG2 THR A 32 -9.803 -14.373 -8.940 1.00 0.00 C ATOM 0 H THR A 32 -9.997 -11.157 -10.459 1.00 0.00 H new ATOM 0 HA THR A 32 -9.133 -13.827 -11.369 1.00 0.00 H new ATOM 0 HB THR A 32 -11.463 -14.281 -10.267 1.00 0.00 H new ATOM 0 HG1 THR A 32 -11.710 -12.838 -8.403 1.00 0.00 H new ATOM 0 HG21 THR A 32 -10.390 -14.682 -8.075 1.00 0.00 H new ATOM 0 HG22 THR A 32 -9.399 -15.254 -9.437 1.00 0.00 H new ATOM 0 HG23 THR A 32 -8.984 -13.733 -8.612 1.00 0.00 H new ATOM 505 N LYS A 36 -6.831 -8.763 -15.147 1.00 0.00 N ATOM 506 CA LYS A 36 -5.790 -7.752 -15.004 1.00 0.00 C ATOM 507 C LYS A 36 -4.821 -8.127 -13.889 1.00 0.00 C ATOM 508 O LYS A 36 -5.116 -8.987 -13.063 1.00 0.00 O ATOM 509 CB LYS A 36 -6.404 -6.381 -14.724 1.00 0.00 C ATOM 510 CG LYS A 36 -7.129 -6.289 -13.393 1.00 0.00 C ATOM 511 CD LYS A 36 -7.481 -4.850 -13.054 1.00 0.00 C ATOM 512 CE LYS A 36 -6.253 -4.058 -12.636 1.00 0.00 C ATOM 513 NZ LYS A 36 -6.224 -2.707 -13.263 1.00 0.00 N ATOM 0 HA LYS A 36 -5.238 -7.704 -15.943 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -5.615 -5.629 -14.749 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -7.103 -6.137 -15.524 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -8.038 -6.889 -13.430 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -6.502 -6.708 -12.605 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -7.944 -4.375 -13.919 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -8.216 -4.834 -12.249 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -6.239 -3.955 -11.551 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -5.354 -4.607 -12.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -5.371 -2.199 -12.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -6.211 -2.805 -14.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -7.069 -2.173 -12.976 1.00 0.00 H new ATOM 527 N VAL A 37 -3.663 -7.479 -13.874 1.00 0.00 N ATOM 528 CA VAL A 37 -2.652 -7.749 -12.860 1.00 0.00 C ATOM 529 C VAL A 37 -1.892 -6.481 -12.489 1.00 0.00 C ATOM 530 O VAL A 37 -1.353 -5.797 -13.359 1.00 0.00 O ATOM 531 CB VAL A 37 -1.647 -8.814 -13.340 1.00 0.00 C ATOM 532 CG1 VAL A 37 -0.763 -9.274 -12.191 1.00 0.00 C ATOM 533 CG2 VAL A 37 -2.375 -9.993 -13.968 1.00 0.00 C ATOM 0 H VAL A 37 -3.401 -6.763 -14.552 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.177 -8.124 -11.982 1.00 0.00 H new ATOM 0 HB VAL A 37 -1.008 -8.365 -14.100 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.061 -10.026 -12.551 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -0.211 -8.422 -11.793 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.383 -9.704 -11.404 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -1.648 -10.734 -14.301 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -3.041 -10.443 -13.232 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -2.958 -9.648 -14.822 1.00 0.00 H new ATOM 543 N HIS A 38 -1.840 -6.171 -11.195 1.00 0.00 N ATOM 544 CA HIS A 38 -1.131 -4.985 -10.735 1.00 0.00 C ATOM 545 C HIS A 38 0.033 -5.357 -9.820 1.00 0.00 C ATOM 546 O HIS A 38 -0.159 -5.769 -8.680 1.00 0.00 O ATOM 547 CB HIS A 38 -2.091 -4.048 -9.999 1.00 0.00 C ATOM 548 CG HIS A 38 -1.488 -2.720 -9.658 1.00 0.00 C ATOM 549 ND1 HIS A 38 -1.573 -2.154 -8.404 1.00 0.00 N ATOM 550 CD2 HIS A 38 -0.786 -1.845 -10.417 1.00 0.00 C ATOM 551 CE1 HIS A 38 -0.951 -0.989 -8.405 1.00 0.00 C ATOM 552 NE2 HIS A 38 -0.464 -0.778 -9.614 1.00 0.00 N ATOM 0 H HIS A 38 -2.277 -6.720 -10.455 1.00 0.00 H new ATOM 0 HA HIS A 38 -0.728 -4.475 -11.610 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -2.975 -3.889 -10.617 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -2.426 -4.532 -9.082 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -0.528 -1.964 -11.459 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -0.857 -0.322 -7.561 1.00 0.00 H new ATOM 0 HE2 HIS A 38 0.065 0.044 -9.905 1.00 0.00 H new ATOM 561 N THR A 39 1.239 -5.175 -10.334 1.00 0.00 N ATOM 562 CA THR A 39 2.471 -5.460 -9.591 1.00 0.00 C ATOM 563 C THR A 39 2.968 -4.188 -8.909 1.00 0.00 C ATOM 564 O THR A 39 3.470 -3.281 -9.573 1.00 0.00 O ATOM 565 CB THR A 39 3.551 -5.962 -10.558 1.00 0.00 C ATOM 566 OG1 THR A 39 3.178 -7.198 -11.139 1.00 0.00 O ATOM 567 CG2 THR A 39 4.908 -6.147 -9.910 1.00 0.00 C ATOM 0 H THR A 39 1.399 -4.825 -11.279 1.00 0.00 H new ATOM 0 HA THR A 39 2.265 -6.222 -8.840 1.00 0.00 H new ATOM 0 HB THR A 39 3.635 -5.182 -11.315 1.00 0.00 H new ATOM 0 HG1 THR A 39 3.882 -7.497 -11.752 1.00 0.00 H new ATOM 0 HG21 THR A 39 5.621 -6.504 -10.654 1.00 0.00 H new ATOM 0 HG22 THR A 39 5.251 -5.195 -9.506 1.00 0.00 H new ATOM 0 HG23 THR A 39 4.830 -6.876 -9.104 1.00 0.00 H new ATOM 575 N VAL A 40 2.837 -4.117 -7.591 1.00 0.00 N ATOM 576 CA VAL A 40 3.289 -2.943 -6.856 1.00 0.00 C ATOM 577 C VAL A 40 4.649 -3.200 -6.225 1.00 0.00 C ATOM 578 O VAL A 40 4.767 -4.003 -5.300 1.00 0.00 O ATOM 579 CB VAL A 40 2.293 -2.540 -5.753 1.00 0.00 C ATOM 580 CG1 VAL A 40 2.702 -1.218 -5.123 1.00 0.00 C ATOM 581 CG2 VAL A 40 0.880 -2.460 -6.312 1.00 0.00 C ATOM 0 H VAL A 40 2.426 -4.850 -7.014 1.00 0.00 H new ATOM 0 HA VAL A 40 3.361 -2.126 -7.574 1.00 0.00 H new ATOM 0 HB VAL A 40 2.308 -3.305 -4.977 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.987 -0.949 -4.346 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.695 -1.316 -4.684 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.718 -0.440 -5.887 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.190 -2.174 -5.518 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.845 -1.716 -7.108 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.591 -3.432 -6.711 1.00 0.00 H new ATOM 591 N VAL A 41 5.679 -2.526 -6.729 1.00 0.00 N ATOM 592 CA VAL A 41 7.016 -2.717 -6.193 1.00 0.00 C ATOM 593 C VAL A 41 7.140 -2.129 -4.796 1.00 0.00 C ATOM 594 O VAL A 41 7.306 -0.922 -4.623 1.00 0.00 O ATOM 595 CB VAL A 41 8.120 -2.135 -7.098 1.00 0.00 C ATOM 596 CG1 VAL A 41 7.988 -0.624 -7.217 1.00 0.00 C ATOM 597 CG2 VAL A 41 9.499 -2.526 -6.564 1.00 0.00 C ATOM 0 H VAL A 41 5.613 -1.855 -7.494 1.00 0.00 H new ATOM 0 HA VAL A 41 7.164 -3.796 -6.148 1.00 0.00 H new ATOM 0 HB VAL A 41 8.005 -2.554 -8.097 1.00 0.00 H new ATOM 0 HG11 VAL A 41 8.779 -0.239 -7.861 1.00 0.00 H new ATOM 0 HG12 VAL A 41 7.018 -0.376 -7.647 1.00 0.00 H new ATOM 0 HG13 VAL A 41 8.073 -0.172 -6.229 1.00 0.00 H new ATOM 0 HG21 VAL A 41 10.271 -2.110 -7.211 1.00 0.00 H new ATOM 0 HG22 VAL A 41 9.622 -2.135 -5.554 1.00 0.00 H new ATOM 0 HG23 VAL A 41 9.588 -3.612 -6.546 1.00 0.00 H new ATOM 607 N LEU A 42 7.073 -3.006 -3.803 1.00 0.00 N ATOM 608 CA LEU A 42 7.188 -2.611 -2.404 1.00 0.00 C ATOM 609 C LEU A 42 8.387 -1.693 -2.193 1.00 0.00 C ATOM 610 O LEU A 42 8.424 -0.908 -1.247 1.00 0.00 O ATOM 611 CB LEU A 42 7.347 -3.856 -1.537 1.00 0.00 C ATOM 612 CG LEU A 42 6.045 -4.492 -1.031 1.00 0.00 C ATOM 613 CD1 LEU A 42 4.990 -4.523 -2.128 1.00 0.00 C ATOM 614 CD2 LEU A 42 6.305 -5.900 -0.505 1.00 0.00 C ATOM 0 H LEU A 42 6.938 -4.007 -3.943 1.00 0.00 H new ATOM 0 HA LEU A 42 6.284 -2.071 -2.123 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.896 -4.605 -2.108 1.00 0.00 H new ATOM 0 HB3 LEU A 42 7.962 -3.598 -0.675 1.00 0.00 H new ATOM 0 HG LEU A 42 5.667 -3.879 -0.213 1.00 0.00 H new ATOM 0 HD11 LEU A 42 4.078 -4.979 -1.743 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.777 -3.506 -2.457 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.359 -5.107 -2.971 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.370 -6.334 -0.151 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.712 -6.518 -1.305 1.00 0.00 H new ATOM 0 HD23 LEU A 42 7.019 -5.855 0.317 1.00 0.00 H new ATOM 626 N SER A 43 9.366 -1.799 -3.087 1.00 0.00 N ATOM 627 CA SER A 43 10.568 -0.978 -3.005 1.00 0.00 C ATOM 628 C SER A 43 10.188 0.488 -2.998 1.00 0.00 C ATOM 629 O SER A 43 10.455 1.214 -2.041 1.00 0.00 O ATOM 630 CB SER A 43 11.506 -1.277 -4.175 1.00 0.00 C ATOM 631 OG SER A 43 12.848 -1.398 -3.736 1.00 0.00 O ATOM 0 H SER A 43 9.350 -2.445 -3.876 1.00 0.00 H new ATOM 0 HA SER A 43 11.092 -1.215 -2.079 1.00 0.00 H new ATOM 0 HB2 SER A 43 11.197 -2.199 -4.666 1.00 0.00 H new ATOM 0 HB3 SER A 43 11.433 -0.481 -4.916 1.00 0.00 H new ATOM 0 HG SER A 43 13.445 -1.431 -4.513 1.00 0.00 H new ATOM 637 N THR A 44 9.535 0.902 -4.065 1.00 0.00 N ATOM 638 CA THR A 44 9.074 2.261 -4.196 1.00 0.00 C ATOM 639 C THR A 44 8.030 2.557 -3.125 1.00 0.00 C ATOM 640 O THR A 44 7.772 3.716 -2.799 1.00 0.00 O ATOM 641 CB THR A 44 8.482 2.471 -5.584 1.00 0.00 C ATOM 642 OG1 THR A 44 7.375 1.613 -5.793 1.00 0.00 O ATOM 643 CG2 THR A 44 9.472 2.226 -6.702 1.00 0.00 C ATOM 0 H THR A 44 9.312 0.305 -4.861 1.00 0.00 H new ATOM 0 HA THR A 44 9.914 2.943 -4.065 1.00 0.00 H new ATOM 0 HB THR A 44 8.180 3.518 -5.613 1.00 0.00 H new ATOM 0 HG1 THR A 44 6.912 1.871 -6.617 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.985 2.393 -7.663 1.00 0.00 H new ATOM 0 HG22 THR A 44 10.314 2.910 -6.598 1.00 0.00 H new ATOM 0 HG23 THR A 44 9.831 1.198 -6.651 1.00 0.00 H new ATOM 651 N ILE A 45 7.438 1.496 -2.571 1.00 0.00 N ATOM 652 CA ILE A 45 6.430 1.654 -1.527 1.00 0.00 C ATOM 653 C ILE A 45 7.088 1.979 -0.190 1.00 0.00 C ATOM 654 O ILE A 45 7.775 1.143 0.396 1.00 0.00 O ATOM 655 CB ILE A 45 5.560 0.389 -1.376 1.00 0.00 C ATOM 656 CG1 ILE A 45 4.878 0.054 -2.704 1.00 0.00 C ATOM 657 CG2 ILE A 45 4.520 0.584 -0.281 1.00 0.00 C ATOM 658 CD1 ILE A 45 4.064 1.197 -3.270 1.00 0.00 C ATOM 0 H ILE A 45 7.638 0.529 -2.826 1.00 0.00 H new ATOM 0 HA ILE A 45 5.785 2.480 -1.827 1.00 0.00 H new ATOM 0 HB ILE A 45 6.205 -0.443 -1.094 1.00 0.00 H new ATOM 0 HG12 ILE A 45 5.637 -0.235 -3.430 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.228 -0.809 -2.562 1.00 0.00 H new ATOM 0 HG21 ILE A 45 3.915 -0.318 -0.189 1.00 0.00 H new ATOM 0 HG22 ILE A 45 5.022 0.783 0.666 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.877 1.427 -0.535 1.00 0.00 H new ATOM 0 HD11 ILE A 45 3.609 0.889 -4.211 1.00 0.00 H new ATOM 0 HD12 ILE A 45 3.282 1.472 -2.562 1.00 0.00 H new ATOM 0 HD13 ILE A 45 4.714 2.055 -3.445 1.00 0.00 H new ATOM 670 N ASP A 46 6.879 3.203 0.281 1.00 0.00 N ATOM 671 CA ASP A 46 7.458 3.648 1.543 1.00 0.00 C ATOM 672 C ASP A 46 6.445 3.575 2.686 1.00 0.00 C ATOM 673 O ASP A 46 6.765 3.916 3.825 1.00 0.00 O ATOM 674 CB ASP A 46 7.976 5.080 1.404 1.00 0.00 C ATOM 675 CG ASP A 46 9.086 5.394 2.387 1.00 0.00 C ATOM 676 OD1 ASP A 46 8.872 5.208 3.603 1.00 0.00 O ATOM 677 OD2 ASP A 46 10.169 5.827 1.941 1.00 0.00 O ATOM 0 H ASP A 46 6.312 3.906 -0.193 1.00 0.00 H new ATOM 0 HA ASP A 46 8.285 2.979 1.783 1.00 0.00 H new ATOM 0 HB2 ASP A 46 8.340 5.234 0.388 1.00 0.00 H new ATOM 0 HB3 ASP A 46 7.152 5.777 1.556 1.00 0.00 H new ATOM 682 N LYS A 47 5.226 3.136 2.386 1.00 0.00 N ATOM 683 CA LYS A 47 4.189 3.035 3.406 1.00 0.00 C ATOM 684 C LYS A 47 3.270 1.843 3.157 1.00 0.00 C ATOM 685 O LYS A 47 2.960 1.507 2.015 1.00 0.00 O ATOM 686 CB LYS A 47 3.368 4.324 3.457 1.00 0.00 C ATOM 687 CG LYS A 47 3.664 5.184 4.674 1.00 0.00 C ATOM 688 CD LYS A 47 4.883 6.064 4.450 1.00 0.00 C ATOM 689 CE LYS A 47 4.694 7.444 5.058 1.00 0.00 C ATOM 690 NZ LYS A 47 5.956 7.971 5.646 1.00 0.00 N ATOM 0 H LYS A 47 4.934 2.847 1.452 1.00 0.00 H new ATOM 0 HA LYS A 47 4.684 2.884 4.365 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.563 4.905 2.556 1.00 0.00 H new ATOM 0 HB3 LYS A 47 2.308 4.071 3.450 1.00 0.00 H new ATOM 0 HG2 LYS A 47 2.799 5.808 4.899 1.00 0.00 H new ATOM 0 HG3 LYS A 47 3.830 4.545 5.541 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.761 5.589 4.888 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.073 6.159 3.381 1.00 0.00 H new ATOM 0 HE2 LYS A 47 4.336 8.132 4.292 1.00 0.00 H new ATOM 0 HE3 LYS A 47 3.926 7.398 5.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 5.784 8.914 6.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 6.285 7.328 6.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 6.682 8.039 4.905 1.00 0.00 H new ATOM 704 N LEU A 48 2.835 1.219 4.245 1.00 0.00 N ATOM 705 CA LEU A 48 1.938 0.070 4.183 1.00 0.00 C ATOM 706 C LEU A 48 1.149 -0.037 5.483 1.00 0.00 C ATOM 707 O LEU A 48 1.732 -0.222 6.551 1.00 0.00 O ATOM 708 CB LEU A 48 2.729 -1.217 3.940 1.00 0.00 C ATOM 709 CG LEU A 48 1.891 -2.499 3.941 1.00 0.00 C ATOM 710 CD1 LEU A 48 2.125 -3.295 2.666 1.00 0.00 C ATOM 711 CD2 LEU A 48 2.209 -3.344 5.166 1.00 0.00 C ATOM 0 H LEU A 48 3.093 1.494 5.193 1.00 0.00 H new ATOM 0 HA LEU A 48 1.246 0.210 3.353 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.241 -1.136 2.981 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.499 -1.303 4.707 1.00 0.00 H new ATOM 0 HG LEU A 48 0.838 -2.220 3.980 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.520 -4.202 2.687 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.844 -2.691 1.803 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.179 -3.563 2.593 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.604 -4.251 5.150 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.265 -3.612 5.159 1.00 0.00 H new ATOM 0 HD23 LEU A 48 1.985 -2.775 6.068 1.00 0.00 H new ATOM 723 N GLN A 49 -0.172 0.102 5.404 1.00 0.00 N ATOM 724 CA GLN A 49 -0.998 0.041 6.606 1.00 0.00 C ATOM 725 C GLN A 49 -2.287 -0.750 6.396 1.00 0.00 C ATOM 726 O GLN A 49 -3.003 -0.553 5.415 1.00 0.00 O ATOM 727 CB GLN A 49 -1.346 1.457 7.073 1.00 0.00 C ATOM 728 CG GLN A 49 -0.211 2.455 6.905 1.00 0.00 C ATOM 729 CD GLN A 49 -0.176 3.071 5.520 1.00 0.00 C ATOM 730 OE1 GLN A 49 0.390 2.500 4.588 1.00 0.00 O ATOM 731 NE2 GLN A 49 -0.784 4.244 5.379 1.00 0.00 N ATOM 0 H GLN A 49 -0.686 0.255 4.536 1.00 0.00 H new ATOM 0 HA GLN A 49 -0.413 -0.478 7.365 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -2.214 1.810 6.516 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -1.634 1.422 8.124 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -0.315 3.246 7.648 1.00 0.00 H new ATOM 0 HG3 GLN A 49 0.738 1.956 7.101 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -1.241 4.681 6.179 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -0.794 4.707 4.470 1.00 0.00 H new ATOM 740 N ALA A 50 -2.589 -1.617 7.360 1.00 0.00 N ATOM 741 CA ALA A 50 -3.809 -2.417 7.334 1.00 0.00 C ATOM 742 C ALA A 50 -4.770 -1.886 8.384 1.00 0.00 C ATOM 743 O ALA A 50 -4.370 -1.116 9.250 1.00 0.00 O ATOM 744 CB ALA A 50 -3.508 -3.886 7.585 1.00 0.00 C ATOM 0 H ALA A 50 -1.999 -1.783 8.175 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.263 -2.340 6.346 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -4.436 -4.457 7.560 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.833 -4.256 6.813 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -3.039 -3.999 8.562 1.00 0.00 H new ATOM 750 N THR A 51 -6.035 -2.269 8.307 1.00 0.00 N ATOM 751 CA THR A 51 -7.012 -1.780 9.273 1.00 0.00 C ATOM 752 C THR A 51 -6.893 -2.501 10.618 1.00 0.00 C ATOM 753 O THR A 51 -6.720 -3.719 10.675 1.00 0.00 O ATOM 754 CB THR A 51 -8.426 -1.882 8.710 1.00 0.00 C ATOM 755 OG1 THR A 51 -8.474 -2.786 7.621 1.00 0.00 O ATOM 756 CG2 THR A 51 -8.956 -0.545 8.229 1.00 0.00 C ATOM 0 H THR A 51 -6.406 -2.905 7.601 1.00 0.00 H new ATOM 0 HA THR A 51 -6.796 -0.728 9.457 1.00 0.00 H new ATOM 0 HB THR A 51 -9.049 -2.237 9.531 1.00 0.00 H new ATOM 0 HG1 THR A 51 -9.401 -2.885 7.319 1.00 0.00 H new ATOM 0 HG21 THR A 51 -9.965 -0.673 7.838 1.00 0.00 H new ATOM 0 HG22 THR A 51 -8.976 0.159 9.061 1.00 0.00 H new ATOM 0 HG23 THR A 51 -8.308 -0.159 7.442 1.00 0.00 H new ATOM 764 N PRO A 52 -6.966 -1.731 11.723 1.00 0.00 N ATOM 765 CA PRO A 52 -6.851 -2.232 13.087 1.00 0.00 C ATOM 766 C PRO A 52 -8.204 -2.462 13.744 1.00 0.00 C ATOM 767 O PRO A 52 -9.233 -2.017 13.235 1.00 0.00 O ATOM 768 CB PRO A 52 -6.132 -1.079 13.769 1.00 0.00 C ATOM 769 CG PRO A 52 -6.733 0.135 13.139 1.00 0.00 C ATOM 770 CD PRO A 52 -7.150 -0.267 11.739 1.00 0.00 C ATOM 0 HA PRO A 52 -6.348 -3.197 13.143 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -6.290 -1.090 14.847 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -5.056 -1.125 13.604 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -7.591 0.486 13.713 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -6.013 0.953 13.109 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -8.185 0.008 11.535 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -6.536 0.222 10.983 1.00 0.00 H new ATOM 778 N ALA A 53 -8.194 -3.151 14.885 1.00 0.00 N ATOM 779 CA ALA A 53 -9.419 -3.432 15.637 1.00 0.00 C ATOM 780 C ALA A 53 -10.338 -2.206 15.725 1.00 0.00 C ATOM 781 O ALA A 53 -11.522 -2.334 16.038 1.00 0.00 O ATOM 782 CB ALA A 53 -9.073 -3.930 17.032 1.00 0.00 C ATOM 0 H ALA A 53 -7.347 -3.527 15.311 1.00 0.00 H new ATOM 0 HA ALA A 53 -9.963 -4.208 15.098 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -9.991 -4.136 17.583 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -8.483 -4.843 16.956 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -8.497 -3.168 17.558 1.00 0.00 H new ATOM 788 N SER A 54 -9.796 -1.022 15.431 1.00 0.00 N ATOM 789 CA SER A 54 -10.578 0.210 15.460 1.00 0.00 C ATOM 790 C SER A 54 -11.721 0.120 14.474 1.00 0.00 C ATOM 791 O SER A 54 -12.788 0.699 14.672 1.00 0.00 O ATOM 792 CB SER A 54 -9.687 1.375 15.062 1.00 0.00 C ATOM 793 OG SER A 54 -10.340 2.617 15.264 1.00 0.00 O ATOM 0 H SER A 54 -8.818 -0.893 15.170 1.00 0.00 H new ATOM 0 HA SER A 54 -10.972 0.358 16.465 1.00 0.00 H new ATOM 0 HB2 SER A 54 -8.766 1.347 15.645 1.00 0.00 H new ATOM 0 HB3 SER A 54 -9.404 1.277 14.014 1.00 0.00 H new ATOM 0 HG SER A 54 -9.742 3.348 15.001 1.00 0.00 H new ATOM 799 N SER A 55 -11.477 -0.618 13.414 1.00 0.00 N ATOM 800 CA SER A 55 -12.465 -0.812 12.374 1.00 0.00 C ATOM 801 C SER A 55 -12.470 -2.249 11.879 1.00 0.00 C ATOM 802 O SER A 55 -11.472 -2.729 11.341 1.00 0.00 O ATOM 803 CB SER A 55 -12.167 0.124 11.214 1.00 0.00 C ATOM 804 OG SER A 55 -12.980 1.285 11.275 1.00 0.00 O ATOM 0 H SER A 55 -10.593 -1.099 13.248 1.00 0.00 H new ATOM 0 HA SER A 55 -13.448 -0.592 12.790 1.00 0.00 H new ATOM 0 HB2 SER A 55 -11.116 0.411 11.234 1.00 0.00 H new ATOM 0 HB3 SER A 55 -12.338 -0.395 10.271 1.00 0.00 H new ATOM 0 HG SER A 55 -12.679 1.857 12.011 1.00 0.00 H new ATOM 810 N GLU A 56 -13.604 -2.927 12.023 1.00 0.00 N ATOM 811 CA GLU A 56 -13.721 -4.297 11.542 1.00 0.00 C ATOM 812 C GLU A 56 -13.361 -4.341 10.059 1.00 0.00 C ATOM 813 O GLU A 56 -12.974 -5.380 9.524 1.00 0.00 O ATOM 814 CB GLU A 56 -15.141 -4.825 11.757 1.00 0.00 C ATOM 815 CG GLU A 56 -15.318 -6.279 11.349 1.00 0.00 C ATOM 816 CD GLU A 56 -16.632 -6.528 10.634 1.00 0.00 C ATOM 817 OE1 GLU A 56 -17.685 -6.117 11.166 1.00 0.00 O ATOM 818 OE2 GLU A 56 -16.608 -7.134 9.542 1.00 0.00 O ATOM 0 H GLU A 56 -14.445 -2.555 12.464 1.00 0.00 H new ATOM 0 HA GLU A 56 -13.035 -4.932 12.103 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -15.404 -4.717 12.809 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -15.838 -4.209 11.189 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -14.494 -6.573 10.699 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -15.266 -6.910 12.236 1.00 0.00 H new ATOM 825 N LYS A 57 -13.485 -3.183 9.413 1.00 0.00 N ATOM 826 CA LYS A 57 -13.173 -3.031 8.002 1.00 0.00 C ATOM 827 C LYS A 57 -11.762 -3.518 7.694 1.00 0.00 C ATOM 828 O LYS A 57 -10.808 -3.174 8.392 1.00 0.00 O ATOM 829 CB LYS A 57 -13.315 -1.558 7.607 1.00 0.00 C ATOM 830 CG LYS A 57 -14.632 -0.945 8.056 1.00 0.00 C ATOM 831 CD LYS A 57 -14.416 0.186 9.049 1.00 0.00 C ATOM 832 CE LYS A 57 -15.571 1.174 9.034 1.00 0.00 C ATOM 833 NZ LYS A 57 -16.892 0.486 9.008 1.00 0.00 N ATOM 0 H LYS A 57 -13.806 -2.324 9.859 1.00 0.00 H new ATOM 0 HA LYS A 57 -13.871 -3.638 7.425 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -12.491 -0.991 8.040 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -13.230 -1.468 6.524 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -15.173 -0.569 7.188 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -15.255 -1.715 8.511 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -14.303 -0.226 10.052 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -13.488 0.707 8.812 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -15.513 1.814 9.915 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -15.482 1.822 8.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -17.643 1.168 9.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -17.059 0.091 8.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -16.897 -0.282 9.710 1.00 0.00 H new ATOM 847 N MET A 58 -11.638 -4.314 6.641 1.00 0.00 N ATOM 848 CA MET A 58 -10.344 -4.845 6.228 1.00 0.00 C ATOM 849 C MET A 58 -9.851 -4.119 4.985 1.00 0.00 C ATOM 850 O MET A 58 -10.551 -4.056 3.975 1.00 0.00 O ATOM 851 CB MET A 58 -10.440 -6.345 5.955 1.00 0.00 C ATOM 852 CG MET A 58 -11.760 -6.771 5.339 1.00 0.00 C ATOM 853 SD MET A 58 -12.977 -7.254 6.576 1.00 0.00 S ATOM 854 CE MET A 58 -14.417 -7.493 5.541 1.00 0.00 C ATOM 0 H MET A 58 -12.419 -4.608 6.055 1.00 0.00 H new ATOM 0 HA MET A 58 -9.632 -4.685 7.038 1.00 0.00 H new ATOM 0 HB2 MET A 58 -9.628 -6.637 5.289 1.00 0.00 H new ATOM 0 HB3 MET A 58 -10.295 -6.885 6.890 1.00 0.00 H new ATOM 0 HG2 MET A 58 -12.160 -5.951 4.742 1.00 0.00 H new ATOM 0 HG3 MET A 58 -11.587 -7.605 4.659 1.00 0.00 H new ATOM 0 HE1 MET A 58 -15.315 -7.235 6.102 1.00 0.00 H new ATOM 0 HE2 MET A 58 -14.343 -6.854 4.661 1.00 0.00 H new ATOM 0 HE3 MET A 58 -14.471 -8.536 5.228 1.00 0.00 H new ATOM 864 N MET A 59 -8.652 -3.556 5.066 1.00 0.00 N ATOM 865 CA MET A 59 -8.089 -2.820 3.944 1.00 0.00 C ATOM 866 C MET A 59 -6.600 -2.561 4.138 1.00 0.00 C ATOM 867 O MET A 59 -6.156 -2.222 5.234 1.00 0.00 O ATOM 868 CB MET A 59 -8.820 -1.487 3.793 1.00 0.00 C ATOM 869 CG MET A 59 -8.827 -0.672 5.076 1.00 0.00 C ATOM 870 SD MET A 59 -10.454 -0.012 5.489 1.00 0.00 S ATOM 871 CE MET A 59 -10.003 1.580 6.182 1.00 0.00 C ATOM 0 H MET A 59 -8.055 -3.595 5.892 1.00 0.00 H new ATOM 0 HA MET A 59 -8.215 -3.423 3.045 1.00 0.00 H new ATOM 0 HB2 MET A 59 -8.347 -0.906 3.001 1.00 0.00 H new ATOM 0 HB3 MET A 59 -9.847 -1.674 3.481 1.00 0.00 H new ATOM 0 HG2 MET A 59 -8.476 -1.297 5.898 1.00 0.00 H new ATOM 0 HG3 MET A 59 -8.121 0.153 4.979 1.00 0.00 H new ATOM 0 HE1 MET A 59 -10.800 1.930 6.838 1.00 0.00 H new ATOM 0 HE2 MET A 59 -9.080 1.480 6.753 1.00 0.00 H new ATOM 0 HE3 MET A 59 -9.855 2.299 5.376 1.00 0.00 H new ATOM 881 N LEU A 60 -5.838 -2.698 3.059 1.00 0.00 N ATOM 882 CA LEU A 60 -4.402 -2.453 3.099 1.00 0.00 C ATOM 883 C LEU A 60 -4.069 -1.237 2.240 1.00 0.00 C ATOM 884 O LEU A 60 -4.438 -1.177 1.068 1.00 0.00 O ATOM 885 CB LEU A 60 -3.626 -3.686 2.619 1.00 0.00 C ATOM 886 CG LEU A 60 -2.933 -4.481 3.730 1.00 0.00 C ATOM 887 CD1 LEU A 60 -2.146 -5.653 3.157 1.00 0.00 C ATOM 888 CD2 LEU A 60 -2.020 -3.573 4.538 1.00 0.00 C ATOM 0 H LEU A 60 -6.192 -2.978 2.144 1.00 0.00 H new ATOM 0 HA LEU A 60 -4.104 -2.254 4.128 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -4.313 -4.348 2.092 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -2.874 -3.367 1.897 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.702 -4.883 4.389 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.665 -6.199 3.968 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.823 -6.319 2.622 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.386 -5.280 2.470 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.534 -4.152 5.324 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.262 -3.143 3.883 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.608 -2.773 4.987 1.00 0.00 H new ATOM 900 N ARG A 61 -3.391 -0.260 2.832 1.00 0.00 N ATOM 901 CA ARG A 61 -3.038 0.961 2.116 1.00 0.00 C ATOM 902 C ARG A 61 -1.526 1.139 2.034 1.00 0.00 C ATOM 903 O ARG A 61 -0.814 0.975 3.024 1.00 0.00 O ATOM 904 CB ARG A 61 -3.663 2.176 2.808 1.00 0.00 C ATOM 905 CG ARG A 61 -3.321 3.500 2.142 1.00 0.00 C ATOM 906 CD ARG A 61 -3.170 4.619 3.161 1.00 0.00 C ATOM 907 NE ARG A 61 -4.120 5.705 2.926 1.00 0.00 N ATOM 908 CZ ARG A 61 -4.116 6.472 1.838 1.00 0.00 C ATOM 909 NH1 ARG A 61 -3.214 6.278 0.883 1.00 0.00 N ATOM 910 NH2 ARG A 61 -5.016 7.437 1.704 1.00 0.00 N ATOM 0 H ARG A 61 -3.076 -0.289 3.802 1.00 0.00 H new ATOM 0 HA ARG A 61 -3.428 0.878 1.102 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -4.746 2.057 2.825 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -3.329 2.204 3.845 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -2.395 3.395 1.577 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -4.102 3.761 1.428 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -3.318 4.219 4.164 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -2.154 5.011 3.121 1.00 0.00 H new ATOM 0 HE ARG A 61 -4.828 5.886 3.638 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -2.519 5.538 0.981 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -3.216 6.869 0.052 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -5.711 7.591 2.435 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -5.013 8.025 0.870 1.00 0.00 H new ATOM 924 N LEU A 62 -1.047 1.484 0.844 1.00 0.00 N ATOM 925 CA LEU A 62 0.378 1.696 0.621 1.00 0.00 C ATOM 926 C LEU A 62 0.613 3.005 -0.128 1.00 0.00 C ATOM 927 O LEU A 62 -0.195 3.403 -0.967 1.00 0.00 O ATOM 928 CB LEU A 62 0.991 0.523 -0.157 1.00 0.00 C ATOM 929 CG LEU A 62 -0.009 -0.495 -0.714 1.00 0.00 C ATOM 930 CD1 LEU A 62 0.525 -1.124 -1.992 1.00 0.00 C ATOM 931 CD2 LEU A 62 -0.311 -1.565 0.325 1.00 0.00 C ATOM 0 H LEU A 62 -1.627 1.623 0.017 1.00 0.00 H new ATOM 0 HA LEU A 62 0.867 1.756 1.594 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.573 0.925 -0.986 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.688 0.000 0.498 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.937 0.026 -0.952 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.199 -1.844 -2.373 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.691 -0.347 -2.738 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.466 -1.632 -1.782 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.023 -2.281 -0.086 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.610 -2.083 0.593 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.737 -1.099 1.214 1.00 0.00 H new ATOM 943 N ILE A 63 1.720 3.672 0.181 1.00 0.00 N ATOM 944 CA ILE A 63 2.051 4.937 -0.465 1.00 0.00 C ATOM 945 C ILE A 63 3.487 4.929 -0.987 1.00 0.00 C ATOM 946 O ILE A 63 4.441 4.918 -0.210 1.00 0.00 O ATOM 947 CB ILE A 63 1.850 6.123 0.504 1.00 0.00 C ATOM 948 CG1 ILE A 63 0.362 6.435 0.643 1.00 0.00 C ATOM 949 CG2 ILE A 63 2.604 7.361 0.042 1.00 0.00 C ATOM 950 CD1 ILE A 63 -0.172 6.137 2.018 1.00 0.00 C ATOM 0 H ILE A 63 2.401 3.359 0.873 1.00 0.00 H new ATOM 0 HA ILE A 63 1.374 5.059 -1.311 1.00 0.00 H new ATOM 0 HB ILE A 63 2.253 5.834 1.475 1.00 0.00 H new ATOM 0 HG12 ILE A 63 0.193 7.487 0.413 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -0.196 5.855 -0.092 1.00 0.00 H new ATOM 0 HG21 ILE A 63 2.438 8.173 0.749 1.00 0.00 H new ATOM 0 HG22 ILE A 63 3.670 7.139 -0.012 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.245 7.659 -0.943 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -1.234 6.379 2.056 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.032 5.079 2.241 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.363 6.737 2.754 1.00 0.00 H new ATOM 962 N GLY A 64 3.629 4.938 -2.309 1.00 0.00 N ATOM 963 CA GLY A 64 4.948 4.934 -2.914 1.00 0.00 C ATOM 964 C GLY A 64 5.523 6.330 -3.061 1.00 0.00 C ATOM 965 O GLY A 64 4.786 7.316 -3.047 1.00 0.00 O ATOM 0 H GLY A 64 2.854 4.948 -2.972 1.00 0.00 H new ATOM 0 HA2 GLY A 64 5.621 4.329 -2.306 1.00 0.00 H new ATOM 0 HA3 GLY A 64 4.893 4.462 -3.895 1.00 0.00 H new ATOM 1311 N ARG A 86 0.047 6.782 -3.986 1.00 0.00 N ATOM 1312 CA ARG A 86 -0.879 6.438 -2.914 1.00 0.00 C ATOM 1313 C ARG A 86 -2.048 5.612 -3.440 1.00 0.00 C ATOM 1314 O ARG A 86 -2.805 6.063 -4.300 1.00 0.00 O ATOM 1315 CB ARG A 86 -1.401 7.707 -2.237 1.00 0.00 C ATOM 1316 CG ARG A 86 -0.320 8.738 -1.959 1.00 0.00 C ATOM 1317 CD ARG A 86 -0.873 9.935 -1.202 1.00 0.00 C ATOM 1318 NE ARG A 86 -1.406 9.557 0.105 1.00 0.00 N ATOM 1319 CZ ARG A 86 -1.812 10.433 1.021 1.00 0.00 C ATOM 1320 NH1 ARG A 86 -1.748 11.736 0.778 1.00 0.00 N ATOM 1321 NH2 ARG A 86 -2.284 10.005 2.184 1.00 0.00 N ATOM 0 HA ARG A 86 -0.337 5.838 -2.183 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -2.166 8.157 -2.869 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -1.882 7.436 -1.298 1.00 0.00 H new ATOM 0 HG2 ARG A 86 0.482 8.279 -1.380 1.00 0.00 H new ATOM 0 HG3 ARG A 86 0.117 9.072 -2.900 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -0.085 10.677 -1.072 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -1.659 10.405 -1.792 1.00 0.00 H new ATOM 0 HE ARG A 86 -1.471 8.564 0.328 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -1.386 12.071 -0.115 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -2.061 12.402 1.484 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -2.336 9.005 2.376 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -2.595 10.676 2.886 1.00 0.00 H new ATOM 1335 N HIS A 87 -2.193 4.402 -2.910 1.00 0.00 N ATOM 1336 CA HIS A 87 -3.275 3.510 -3.316 1.00 0.00 C ATOM 1337 C HIS A 87 -3.864 2.798 -2.104 1.00 0.00 C ATOM 1338 O HIS A 87 -3.133 2.281 -1.260 1.00 0.00 O ATOM 1339 CB HIS A 87 -2.779 2.483 -4.339 1.00 0.00 C ATOM 1340 CG HIS A 87 -1.334 2.117 -4.186 1.00 0.00 C ATOM 1341 ND1 HIS A 87 -0.442 2.115 -5.237 1.00 0.00 N ATOM 1342 CD2 HIS A 87 -0.626 1.741 -3.095 1.00 0.00 C ATOM 1343 CE1 HIS A 87 0.750 1.752 -4.800 1.00 0.00 C ATOM 1344 NE2 HIS A 87 0.666 1.520 -3.503 1.00 0.00 N ATOM 0 H HIS A 87 -1.574 4.015 -2.197 1.00 0.00 H new ATOM 0 HA HIS A 87 -4.054 4.114 -3.782 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -3.383 1.580 -4.253 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -2.938 2.879 -5.342 1.00 0.00 H new ATOM 0 HD1 HIS A 87 -0.668 2.356 -6.202 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -1.007 1.635 -2.090 1.00 0.00 H new ATOM 0 HE1 HIS A 87 1.642 1.660 -5.402 1.00 0.00 H new ATOM 1353 N MET A 88 -5.190 2.780 -2.020 1.00 0.00 N ATOM 1354 CA MET A 88 -5.875 2.136 -0.905 1.00 0.00 C ATOM 1355 C MET A 88 -6.506 0.818 -1.335 1.00 0.00 C ATOM 1356 O MET A 88 -7.437 0.796 -2.141 1.00 0.00 O ATOM 1357 CB MET A 88 -6.949 3.064 -0.336 1.00 0.00 C ATOM 1358 CG MET A 88 -7.112 2.961 1.172 1.00 0.00 C ATOM 1359 SD MET A 88 -7.834 1.392 1.694 1.00 0.00 S ATOM 1360 CE MET A 88 -8.471 1.817 3.318 1.00 0.00 C ATOM 0 H MET A 88 -5.811 3.203 -2.710 1.00 0.00 H new ATOM 0 HA MET A 88 -5.135 1.926 -0.133 1.00 0.00 H new ATOM 0 HB2 MET A 88 -6.702 4.093 -0.596 1.00 0.00 H new ATOM 0 HB3 MET A 88 -7.903 2.835 -0.812 1.00 0.00 H new ATOM 0 HG2 MET A 88 -6.139 3.083 1.647 1.00 0.00 H new ATOM 0 HG3 MET A 88 -7.742 3.779 1.521 1.00 0.00 H new ATOM 0 HE1 MET A 88 -9.388 1.259 3.507 1.00 0.00 H new ATOM 0 HE2 MET A 88 -7.730 1.565 4.077 1.00 0.00 H new ATOM 0 HE3 MET A 88 -8.682 2.886 3.358 1.00 0.00 H new ATOM 1370 N PHE A 89 -5.999 -0.278 -0.785 1.00 0.00 N ATOM 1371 CA PHE A 89 -6.516 -1.602 -1.101 1.00 0.00 C ATOM 1372 C PHE A 89 -7.570 -2.016 -0.079 1.00 0.00 C ATOM 1373 O PHE A 89 -7.421 -1.756 1.115 1.00 0.00 O ATOM 1374 CB PHE A 89 -5.374 -2.620 -1.133 1.00 0.00 C ATOM 1375 CG PHE A 89 -5.234 -3.316 -2.455 1.00 0.00 C ATOM 1376 CD1 PHE A 89 -6.320 -3.946 -3.039 1.00 0.00 C ATOM 1377 CD2 PHE A 89 -4.016 -3.336 -3.115 1.00 0.00 C ATOM 1378 CE1 PHE A 89 -6.195 -4.583 -4.258 1.00 0.00 C ATOM 1379 CE2 PHE A 89 -3.885 -3.973 -4.334 1.00 0.00 C ATOM 1380 CZ PHE A 89 -4.976 -4.596 -4.906 1.00 0.00 C ATOM 0 H PHE A 89 -5.229 -0.275 -0.117 1.00 0.00 H new ATOM 0 HA PHE A 89 -6.983 -1.571 -2.086 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -4.438 -2.113 -0.897 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -5.539 -3.365 -0.354 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -7.275 -3.939 -2.536 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -3.160 -2.849 -2.672 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -7.050 -5.070 -4.704 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -2.930 -3.984 -4.839 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.876 -5.093 -5.860 1.00 0.00 H new ATOM 1390 N SER A 90 -8.643 -2.644 -0.551 1.00 0.00 N ATOM 1391 CA SER A 90 -9.720 -3.069 0.335 1.00 0.00 C ATOM 1392 C SER A 90 -10.298 -4.413 -0.091 1.00 0.00 C ATOM 1393 O SER A 90 -10.659 -4.605 -1.252 1.00 0.00 O ATOM 1394 CB SER A 90 -10.828 -2.019 0.345 1.00 0.00 C ATOM 1395 OG SER A 90 -11.659 -2.162 1.485 1.00 0.00 O ATOM 0 H SER A 90 -8.789 -2.868 -1.535 1.00 0.00 H new ATOM 0 HA SER A 90 -9.303 -3.180 1.336 1.00 0.00 H new ATOM 0 HB2 SER A 90 -10.388 -1.022 0.335 1.00 0.00 H new ATOM 0 HB3 SER A 90 -11.428 -2.111 -0.560 1.00 0.00 H new ATOM 0 HG SER A 90 -11.219 -2.743 2.140 1.00 0.00 H new ATOM 1401 N PHE A 91 -10.396 -5.335 0.860 1.00 0.00 N ATOM 1402 CA PHE A 91 -10.947 -6.657 0.587 1.00 0.00 C ATOM 1403 C PHE A 91 -11.987 -7.028 1.635 1.00 0.00 C ATOM 1404 O PHE A 91 -12.138 -6.341 2.643 1.00 0.00 O ATOM 1405 CB PHE A 91 -9.854 -7.737 0.535 1.00 0.00 C ATOM 1406 CG PHE A 91 -8.484 -7.289 0.965 1.00 0.00 C ATOM 1407 CD1 PHE A 91 -7.838 -6.239 0.332 1.00 0.00 C ATOM 1408 CD2 PHE A 91 -7.835 -7.942 1.997 1.00 0.00 C ATOM 1409 CE1 PHE A 91 -6.572 -5.852 0.721 1.00 0.00 C ATOM 1410 CE2 PHE A 91 -6.572 -7.558 2.391 1.00 0.00 C ATOM 1411 CZ PHE A 91 -5.938 -6.513 1.752 1.00 0.00 C ATOM 0 H PHE A 91 -10.101 -5.192 1.826 1.00 0.00 H new ATOM 0 HA PHE A 91 -11.420 -6.611 -0.394 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -10.160 -8.571 1.167 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -9.790 -8.117 -0.485 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -8.331 -5.718 -0.475 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -8.324 -8.763 2.500 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -6.078 -5.033 0.219 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -6.078 -8.075 3.200 1.00 0.00 H new ATOM 0 HZ PHE A 91 -4.947 -6.213 2.058 1.00 0.00 H new ATOM 1421 N ASN A 92 -12.702 -8.120 1.390 1.00 0.00 N ATOM 1422 CA ASN A 92 -13.728 -8.583 2.314 1.00 0.00 C ATOM 1423 C ASN A 92 -13.169 -9.648 3.252 1.00 0.00 C ATOM 1424 O ASN A 92 -13.900 -10.521 3.720 1.00 0.00 O ATOM 1425 CB ASN A 92 -14.925 -9.142 1.543 1.00 0.00 C ATOM 1426 CG ASN A 92 -15.822 -8.049 0.997 1.00 0.00 C ATOM 1427 OD1 ASN A 92 -16.470 -7.326 1.754 1.00 0.00 O ATOM 1428 ND2 ASN A 92 -15.865 -7.923 -0.324 1.00 0.00 N ATOM 0 H ASN A 92 -12.589 -8.701 0.559 1.00 0.00 H new ATOM 0 HA ASN A 92 -14.057 -7.733 2.911 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -14.567 -9.760 0.719 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -15.505 -9.791 2.199 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -16.452 -7.205 -0.749 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -15.311 -8.544 -0.914 1.00 0.00 H new ATOM 1435 N ASN A 93 -11.869 -9.572 3.522 1.00 0.00 N ATOM 1436 CA ASN A 93 -11.218 -10.533 4.404 1.00 0.00 C ATOM 1437 C ASN A 93 -10.423 -9.836 5.501 1.00 0.00 C ATOM 1438 O ASN A 93 -9.478 -9.098 5.225 1.00 0.00 O ATOM 1439 CB ASN A 93 -10.300 -11.454 3.600 1.00 0.00 C ATOM 1440 CG ASN A 93 -11.067 -12.540 2.870 1.00 0.00 C ATOM 1441 OD1 ASN A 93 -11.650 -12.300 1.812 1.00 0.00 O ATOM 1442 ND2 ASN A 93 -11.069 -13.743 3.432 1.00 0.00 N ATOM 0 H ASN A 93 -11.248 -8.857 3.144 1.00 0.00 H new ATOM 0 HA ASN A 93 -11.999 -11.127 4.879 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -9.738 -10.862 2.878 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -9.574 -11.914 4.270 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -11.567 -14.513 2.986 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -10.572 -13.897 4.310 1.00 0.00 H new ATOM 1449 N ARG A 94 -10.811 -10.088 6.749 1.00 0.00 N ATOM 1450 CA ARG A 94 -10.136 -9.498 7.900 1.00 0.00 C ATOM 1451 C ARG A 94 -8.971 -10.375 8.345 1.00 0.00 C ATOM 1452 O ARG A 94 -7.985 -9.884 8.895 1.00 0.00 O ATOM 1453 CB ARG A 94 -11.120 -9.310 9.055 1.00 0.00 C ATOM 1454 CG ARG A 94 -10.603 -8.393 10.152 1.00 0.00 C ATOM 1455 CD ARG A 94 -11.708 -8.006 11.122 1.00 0.00 C ATOM 1456 NE ARG A 94 -11.181 -7.630 12.431 1.00 0.00 N ATOM 1457 CZ ARG A 94 -11.928 -7.517 13.527 1.00 0.00 C ATOM 1458 NH1 ARG A 94 -13.234 -7.751 13.475 1.00 0.00 N ATOM 1459 NH2 ARG A 94 -11.368 -7.170 14.678 1.00 0.00 N ATOM 0 H ARG A 94 -11.592 -10.699 6.988 1.00 0.00 H new ATOM 0 HA ARG A 94 -9.747 -8.523 7.606 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -12.053 -8.905 8.664 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -11.352 -10.284 9.486 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -9.799 -8.890 10.695 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -10.178 -7.494 9.706 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -12.278 -7.174 10.708 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -12.399 -8.841 11.236 1.00 0.00 H new ATOM 0 HE ARG A 94 -10.181 -7.443 12.510 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -13.669 -8.019 12.592 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -13.802 -7.663 14.318 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -10.365 -6.990 14.723 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -11.940 -7.083 15.518 1.00 0.00 H new ATOM 1473 N THR A 95 -9.089 -11.675 8.095 1.00 0.00 N ATOM 1474 CA THR A 95 -8.044 -12.622 8.459 1.00 0.00 C ATOM 1475 C THR A 95 -6.879 -12.517 7.483 1.00 0.00 C ATOM 1476 O THR A 95 -5.715 -12.482 7.883 1.00 0.00 O ATOM 1477 CB THR A 95 -8.611 -14.049 8.483 1.00 0.00 C ATOM 1478 OG1 THR A 95 -8.044 -14.794 9.546 1.00 0.00 O ATOM 1479 CG2 THR A 95 -8.381 -14.832 7.204 1.00 0.00 C ATOM 0 H THR A 95 -9.900 -12.096 7.641 1.00 0.00 H new ATOM 0 HA THR A 95 -7.677 -12.382 9.457 1.00 0.00 H new ATOM 0 HB THR A 95 -9.686 -13.917 8.609 1.00 0.00 H new ATOM 0 HG1 THR A 95 -8.418 -15.700 9.547 1.00 0.00 H new ATOM 0 HG21 THR A 95 -8.812 -15.828 7.305 1.00 0.00 H new ATOM 0 HG22 THR A 95 -8.855 -14.314 6.370 1.00 0.00 H new ATOM 0 HG23 THR A 95 -7.311 -14.917 7.017 1.00 0.00 H new ATOM 1487 N VAL A 96 -7.208 -12.462 6.198 1.00 0.00 N ATOM 1488 CA VAL A 96 -6.199 -12.353 5.153 1.00 0.00 C ATOM 1489 C VAL A 96 -5.381 -11.080 5.321 1.00 0.00 C ATOM 1490 O VAL A 96 -4.160 -11.131 5.465 1.00 0.00 O ATOM 1491 CB VAL A 96 -6.833 -12.357 3.748 1.00 0.00 C ATOM 1492 CG1 VAL A 96 -5.756 -12.383 2.674 1.00 0.00 C ATOM 1493 CG2 VAL A 96 -7.780 -13.537 3.590 1.00 0.00 C ATOM 0 H VAL A 96 -8.168 -12.491 5.855 1.00 0.00 H new ATOM 0 HA VAL A 96 -5.549 -13.223 5.249 1.00 0.00 H new ATOM 0 HB VAL A 96 -7.410 -11.440 3.630 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -6.224 -12.385 1.690 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -5.123 -11.501 2.773 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -5.149 -13.281 2.789 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -8.217 -13.522 2.592 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -7.229 -14.467 3.731 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -8.573 -13.469 4.334 1.00 0.00 H new ATOM 1503 N MET A 97 -6.063 -9.935 5.297 1.00 0.00 N ATOM 1504 CA MET A 97 -5.394 -8.640 5.443 1.00 0.00 C ATOM 1505 C MET A 97 -4.347 -8.655 6.558 1.00 0.00 C ATOM 1506 O MET A 97 -3.181 -8.336 6.329 1.00 0.00 O ATOM 1507 CB MET A 97 -6.421 -7.540 5.719 1.00 0.00 C ATOM 1508 CG MET A 97 -7.440 -7.908 6.785 1.00 0.00 C ATOM 1509 SD MET A 97 -7.155 -7.048 8.344 1.00 0.00 S ATOM 1510 CE MET A 97 -7.308 -5.346 7.812 1.00 0.00 C ATOM 0 H MET A 97 -7.074 -9.876 5.178 1.00 0.00 H new ATOM 0 HA MET A 97 -4.880 -8.437 4.504 1.00 0.00 H new ATOM 0 HB2 MET A 97 -5.897 -6.635 6.027 1.00 0.00 H new ATOM 0 HB3 MET A 97 -6.946 -7.305 4.793 1.00 0.00 H new ATOM 0 HG2 MET A 97 -8.441 -7.673 6.422 1.00 0.00 H new ATOM 0 HG3 MET A 97 -7.408 -8.984 6.957 1.00 0.00 H new ATOM 0 HE1 MET A 97 -6.337 -4.855 7.878 1.00 0.00 H new ATOM 0 HE2 MET A 97 -7.659 -5.317 6.781 1.00 0.00 H new ATOM 0 HE3 MET A 97 -8.021 -4.827 8.453 1.00 0.00 H new ATOM 1520 N ASP A 98 -4.772 -9.016 7.762 1.00 0.00 N ATOM 1521 CA ASP A 98 -3.872 -9.059 8.911 1.00 0.00 C ATOM 1522 C ASP A 98 -2.730 -10.049 8.694 1.00 0.00 C ATOM 1523 O ASP A 98 -1.688 -9.957 9.343 1.00 0.00 O ATOM 1524 CB ASP A 98 -4.649 -9.431 10.175 1.00 0.00 C ATOM 1525 CG ASP A 98 -5.098 -8.213 10.959 1.00 0.00 C ATOM 1526 OD1 ASP A 98 -5.068 -7.099 10.395 1.00 0.00 O ATOM 1527 OD2 ASP A 98 -5.478 -8.373 12.138 1.00 0.00 O ATOM 0 H ASP A 98 -5.734 -9.284 7.970 1.00 0.00 H new ATOM 0 HA ASP A 98 -3.438 -8.066 9.029 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -5.521 -10.024 9.900 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -4.024 -10.058 10.811 1.00 0.00 H new ATOM 1532 N ASN A 99 -2.933 -11.005 7.792 1.00 0.00 N ATOM 1533 CA ASN A 99 -1.919 -12.016 7.514 1.00 0.00 C ATOM 1534 C ASN A 99 -0.925 -11.553 6.451 1.00 0.00 C ATOM 1535 O ASN A 99 0.254 -11.899 6.508 1.00 0.00 O ATOM 1536 CB ASN A 99 -2.584 -13.322 7.072 1.00 0.00 C ATOM 1537 CG ASN A 99 -2.035 -14.529 7.807 1.00 0.00 C ATOM 1538 OD1 ASN A 99 -0.845 -14.594 8.115 1.00 0.00 O ATOM 1539 ND2 ASN A 99 -2.903 -15.493 8.093 1.00 0.00 N ATOM 0 H ASN A 99 -3.787 -11.100 7.243 1.00 0.00 H new ATOM 0 HA ASN A 99 -1.363 -12.182 8.437 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -3.659 -13.255 7.242 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -2.438 -13.456 6.000 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -2.592 -16.329 8.587 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -3.881 -15.397 7.818 1.00 0.00 H new ATOM 1546 N ILE A 100 -1.400 -10.784 5.476 1.00 0.00 N ATOM 1547 CA ILE A 100 -0.528 -10.306 4.409 1.00 0.00 C ATOM 1548 C ILE A 100 0.172 -9.001 4.783 1.00 0.00 C ATOM 1549 O ILE A 100 1.352 -8.820 4.485 1.00 0.00 O ATOM 1550 CB ILE A 100 -1.293 -10.117 3.083 1.00 0.00 C ATOM 1551 CG1 ILE A 100 -0.307 -9.835 1.949 1.00 0.00 C ATOM 1552 CG2 ILE A 100 -2.312 -8.995 3.200 1.00 0.00 C ATOM 1553 CD1 ILE A 100 -0.974 -9.469 0.641 1.00 0.00 C ATOM 0 H ILE A 100 -2.371 -10.482 5.402 1.00 0.00 H new ATOM 0 HA ILE A 100 0.228 -11.079 4.270 1.00 0.00 H new ATOM 0 HB ILE A 100 -1.834 -11.036 2.859 1.00 0.00 H new ATOM 0 HG12 ILE A 100 0.355 -9.023 2.249 1.00 0.00 H new ATOM 0 HG13 ILE A 100 0.317 -10.715 1.795 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -2.838 -8.881 2.252 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -3.028 -9.234 3.986 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -1.801 -8.064 3.445 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -0.212 -9.283 -0.116 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -1.615 -10.289 0.317 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -1.576 -8.571 0.778 1.00 0.00 H new ATOM 1565 N LYS A 101 -0.548 -8.093 5.438 1.00 0.00 N ATOM 1566 CA LYS A 101 0.036 -6.817 5.842 1.00 0.00 C ATOM 1567 C LYS A 101 1.295 -7.048 6.665 1.00 0.00 C ATOM 1568 O LYS A 101 2.349 -6.482 6.386 1.00 0.00 O ATOM 1569 CB LYS A 101 -0.961 -5.993 6.661 1.00 0.00 C ATOM 1570 CG LYS A 101 -0.363 -4.711 7.228 1.00 0.00 C ATOM 1571 CD LYS A 101 0.142 -4.906 8.650 1.00 0.00 C ATOM 1572 CE LYS A 101 -0.994 -4.872 9.657 1.00 0.00 C ATOM 1573 NZ LYS A 101 -0.577 -5.404 10.984 1.00 0.00 N ATOM 0 H LYS A 101 -1.527 -8.215 5.698 1.00 0.00 H new ATOM 0 HA LYS A 101 0.290 -6.265 4.937 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -1.815 -5.740 6.033 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -1.338 -6.603 7.481 1.00 0.00 H new ATOM 0 HG2 LYS A 101 0.458 -4.381 6.592 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -1.115 -3.922 7.214 1.00 0.00 H new ATOM 0 HD2 LYS A 101 0.665 -5.859 8.723 1.00 0.00 H new ATOM 0 HD3 LYS A 101 0.865 -4.126 8.890 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -1.347 -3.847 9.772 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -1.832 -5.457 9.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -1.234 -5.065 11.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -0.591 -6.444 10.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 0.385 -5.075 11.203 1.00 0.00 H new ATOM 1587 N MET A 102 1.163 -7.886 7.684 1.00 0.00 N ATOM 1588 CA MET A 102 2.278 -8.210 8.571 1.00 0.00 C ATOM 1589 C MET A 102 3.536 -8.530 7.771 1.00 0.00 C ATOM 1590 O MET A 102 4.633 -8.090 8.115 1.00 0.00 O ATOM 1591 CB MET A 102 1.915 -9.394 9.469 1.00 0.00 C ATOM 1592 CG MET A 102 2.565 -9.337 10.841 1.00 0.00 C ATOM 1593 SD MET A 102 1.709 -8.221 11.969 1.00 0.00 S ATOM 1594 CE MET A 102 0.475 -9.319 12.661 1.00 0.00 C ATOM 0 H MET A 102 0.290 -8.358 7.920 1.00 0.00 H new ATOM 0 HA MET A 102 2.479 -7.338 9.194 1.00 0.00 H new ATOM 0 HB2 MET A 102 0.832 -9.429 9.590 1.00 0.00 H new ATOM 0 HB3 MET A 102 2.211 -10.319 8.974 1.00 0.00 H new ATOM 0 HG2 MET A 102 2.584 -10.338 11.272 1.00 0.00 H new ATOM 0 HG3 MET A 102 3.601 -9.016 10.735 1.00 0.00 H new ATOM 0 HE1 MET A 102 -0.136 -8.773 13.380 1.00 0.00 H new ATOM 0 HE2 MET A 102 -0.160 -9.702 11.862 1.00 0.00 H new ATOM 0 HE3 MET A 102 0.969 -10.151 13.163 1.00 0.00 H new ATOM 1604 N THR A 103 3.365 -9.296 6.700 1.00 0.00 N ATOM 1605 CA THR A 103 4.482 -9.674 5.843 1.00 0.00 C ATOM 1606 C THR A 103 5.214 -8.438 5.324 1.00 0.00 C ATOM 1607 O THR A 103 6.444 -8.385 5.327 1.00 0.00 O ATOM 1608 CB THR A 103 3.980 -10.518 4.670 1.00 0.00 C ATOM 1609 OG1 THR A 103 3.378 -11.713 5.135 1.00 0.00 O ATOM 1610 CG2 THR A 103 5.072 -10.905 3.694 1.00 0.00 C ATOM 0 H THR A 103 2.462 -9.668 6.404 1.00 0.00 H new ATOM 0 HA THR A 103 5.183 -10.263 6.434 1.00 0.00 H new ATOM 0 HB THR A 103 3.260 -9.886 4.150 1.00 0.00 H new ATOM 0 HG1 THR A 103 3.541 -12.434 4.491 1.00 0.00 H new ATOM 0 HG21 THR A 103 4.645 -11.502 2.888 1.00 0.00 H new ATOM 0 HG22 THR A 103 5.524 -10.005 3.278 1.00 0.00 H new ATOM 0 HG23 THR A 103 5.834 -11.487 4.212 1.00 0.00 H new ATOM 1618 N LEU A 104 4.448 -7.449 4.874 1.00 0.00 N ATOM 1619 CA LEU A 104 5.020 -6.214 4.348 1.00 0.00 C ATOM 1620 C LEU A 104 5.387 -5.249 5.471 1.00 0.00 C ATOM 1621 O LEU A 104 6.402 -4.556 5.398 1.00 0.00 O ATOM 1622 CB LEU A 104 4.038 -5.546 3.383 1.00 0.00 C ATOM 1623 CG LEU A 104 3.624 -6.387 2.167 1.00 0.00 C ATOM 1624 CD1 LEU A 104 3.517 -5.509 0.932 1.00 0.00 C ATOM 1625 CD2 LEU A 104 4.608 -7.525 1.921 1.00 0.00 C ATOM 0 H LEU A 104 3.428 -7.479 4.863 1.00 0.00 H new ATOM 0 HA LEU A 104 5.933 -6.470 3.811 1.00 0.00 H new ATOM 0 HB2 LEU A 104 3.139 -5.275 3.937 1.00 0.00 H new ATOM 0 HB3 LEU A 104 4.483 -4.618 3.025 1.00 0.00 H new ATOM 0 HG LEU A 104 2.648 -6.825 2.378 1.00 0.00 H new ATOM 0 HD11 LEU A 104 3.223 -6.118 0.077 1.00 0.00 H new ATOM 0 HD12 LEU A 104 2.769 -4.734 1.100 1.00 0.00 H new ATOM 0 HD13 LEU A 104 4.482 -5.044 0.731 1.00 0.00 H new ATOM 0 HD21 LEU A 104 4.287 -8.102 1.054 1.00 0.00 H new ATOM 0 HD22 LEU A 104 5.601 -7.114 1.737 1.00 0.00 H new ATOM 0 HD23 LEU A 104 4.640 -8.174 2.796 1.00 0.00 H new ATOM 1637 N GLN A 105 4.556 -5.208 6.509 1.00 0.00 N ATOM 1638 CA GLN A 105 4.795 -4.328 7.649 1.00 0.00 C ATOM 1639 C GLN A 105 6.235 -4.446 8.133 1.00 0.00 C ATOM 1640 O GLN A 105 6.890 -3.444 8.423 1.00 0.00 O ATOM 1641 CB GLN A 105 3.834 -4.665 8.790 1.00 0.00 C ATOM 1642 CG GLN A 105 3.897 -3.684 9.950 1.00 0.00 C ATOM 1643 CD GLN A 105 2.576 -3.563 10.683 1.00 0.00 C ATOM 1644 OE1 GLN A 105 2.256 -4.378 11.549 1.00 0.00 O ATOM 1645 NE2 GLN A 105 1.799 -2.542 10.340 1.00 0.00 N ATOM 0 H GLN A 105 3.711 -5.774 6.584 1.00 0.00 H new ATOM 0 HA GLN A 105 4.621 -3.301 7.327 1.00 0.00 H new ATOM 0 HB2 GLN A 105 2.816 -4.690 8.401 1.00 0.00 H new ATOM 0 HB3 GLN A 105 4.058 -5.666 9.159 1.00 0.00 H new ATOM 0 HG2 GLN A 105 4.669 -4.004 10.650 1.00 0.00 H new ATOM 0 HG3 GLN A 105 4.192 -2.704 9.576 1.00 0.00 H new ATOM 0 HE21 GLN A 105 2.103 -1.890 9.617 1.00 0.00 H new ATOM 0 HE22 GLN A 105 0.898 -2.410 10.800 1.00 0.00 H new ATOM 1654 N GLN A 106 6.725 -5.678 8.207 1.00 0.00 N ATOM 1655 CA GLN A 106 8.090 -5.930 8.644 1.00 0.00 C ATOM 1656 C GLN A 106 9.082 -5.483 7.577 1.00 0.00 C ATOM 1657 O GLN A 106 10.168 -4.994 7.890 1.00 0.00 O ATOM 1658 CB GLN A 106 8.286 -7.416 8.953 1.00 0.00 C ATOM 1659 CG GLN A 106 7.998 -8.325 7.769 1.00 0.00 C ATOM 1660 CD GLN A 106 8.369 -9.770 8.042 1.00 0.00 C ATOM 1661 OE1 GLN A 106 9.164 -10.061 8.936 1.00 0.00 O ATOM 1662 NE2 GLN A 106 7.794 -10.684 7.269 1.00 0.00 N ATOM 0 H GLN A 106 6.196 -6.517 7.970 1.00 0.00 H new ATOM 0 HA GLN A 106 8.271 -5.356 9.553 1.00 0.00 H new ATOM 0 HB2 GLN A 106 9.312 -7.578 9.284 1.00 0.00 H new ATOM 0 HB3 GLN A 106 7.636 -7.695 9.782 1.00 0.00 H new ATOM 0 HG2 GLN A 106 6.939 -8.266 7.519 1.00 0.00 H new ATOM 0 HG3 GLN A 106 8.551 -7.970 6.899 1.00 0.00 H new ATOM 0 HE21 GLN A 106 7.141 -10.397 6.540 1.00 0.00 H new ATOM 0 HE22 GLN A 106 8.005 -11.673 7.404 1.00 0.00 H new ATOM 1671 N ILE A 107 8.702 -5.656 6.314 1.00 0.00 N ATOM 1672 CA ILE A 107 9.552 -5.274 5.203 1.00 0.00 C ATOM 1673 C ILE A 107 9.830 -3.776 5.214 1.00 0.00 C ATOM 1674 O ILE A 107 10.980 -3.357 5.305 1.00 0.00 O ATOM 1675 CB ILE A 107 8.921 -5.704 3.857 1.00 0.00 C ATOM 1676 CG1 ILE A 107 9.633 -6.946 3.341 1.00 0.00 C ATOM 1677 CG2 ILE A 107 8.968 -4.591 2.818 1.00 0.00 C ATOM 1678 CD1 ILE A 107 8.924 -7.618 2.184 1.00 0.00 C ATOM 0 H ILE A 107 7.807 -6.060 6.039 1.00 0.00 H new ATOM 0 HA ILE A 107 10.504 -5.792 5.316 1.00 0.00 H new ATOM 0 HB ILE A 107 7.869 -5.927 4.033 1.00 0.00 H new ATOM 0 HG12 ILE A 107 10.641 -6.673 3.029 1.00 0.00 H new ATOM 0 HG13 ILE A 107 9.735 -7.661 4.157 1.00 0.00 H new ATOM 0 HG21 ILE A 107 8.514 -4.940 1.890 1.00 0.00 H new ATOM 0 HG22 ILE A 107 8.419 -3.725 3.188 1.00 0.00 H new ATOM 0 HG23 ILE A 107 10.005 -4.311 2.631 1.00 0.00 H new ATOM 0 HD11 ILE A 107 9.490 -8.495 1.870 1.00 0.00 H new ATOM 0 HD12 ILE A 107 7.926 -7.923 2.497 1.00 0.00 H new ATOM 0 HD13 ILE A 107 8.845 -6.920 1.351 1.00 0.00 H new ATOM 1690 N ILE A 108 8.779 -2.970 5.124 1.00 0.00 N ATOM 1691 CA ILE A 108 8.946 -1.522 5.126 1.00 0.00 C ATOM 1692 C ILE A 108 9.757 -1.078 6.332 1.00 0.00 C ATOM 1693 O ILE A 108 10.481 -0.085 6.280 1.00 0.00 O ATOM 1694 CB ILE A 108 7.600 -0.772 5.136 1.00 0.00 C ATOM 1695 CG1 ILE A 108 6.587 -1.447 4.208 1.00 0.00 C ATOM 1696 CG2 ILE A 108 7.818 0.677 4.729 1.00 0.00 C ATOM 1697 CD1 ILE A 108 7.091 -1.645 2.794 1.00 0.00 C ATOM 0 H ILE A 108 7.813 -3.289 5.050 1.00 0.00 H new ATOM 0 HA ILE A 108 9.471 -1.274 4.203 1.00 0.00 H new ATOM 0 HB ILE A 108 7.192 -0.801 6.147 1.00 0.00 H new ATOM 0 HG12 ILE A 108 6.315 -2.416 4.626 1.00 0.00 H new ATOM 0 HG13 ILE A 108 5.678 -0.846 4.179 1.00 0.00 H new ATOM 0 HG21 ILE A 108 6.864 1.205 4.737 1.00 0.00 H new ATOM 0 HG22 ILE A 108 8.502 1.153 5.431 1.00 0.00 H new ATOM 0 HG23 ILE A 108 8.244 0.713 3.726 1.00 0.00 H new ATOM 0 HD11 ILE A 108 6.318 -2.129 2.197 1.00 0.00 H new ATOM 0 HD12 ILE A 108 7.336 -0.677 2.356 1.00 0.00 H new ATOM 0 HD13 ILE A 108 7.983 -2.272 2.810 1.00 0.00 H new ATOM 1709 N SER A 109 9.633 -1.830 7.412 1.00 0.00 N ATOM 1710 CA SER A 109 10.355 -1.533 8.637 1.00 0.00 C ATOM 1711 C SER A 109 11.835 -1.868 8.480 1.00 0.00 C ATOM 1712 O SER A 109 12.685 -1.311 9.174 1.00 0.00 O ATOM 1713 CB SER A 109 9.754 -2.318 9.803 1.00 0.00 C ATOM 1714 OG SER A 109 9.912 -1.619 11.025 1.00 0.00 O ATOM 0 H SER A 109 9.036 -2.655 7.465 1.00 0.00 H new ATOM 0 HA SER A 109 10.264 -0.467 8.846 1.00 0.00 H new ATOM 0 HB2 SER A 109 8.695 -2.497 9.617 1.00 0.00 H new ATOM 0 HB3 SER A 109 10.234 -3.294 9.874 1.00 0.00 H new ATOM 0 HG SER A 109 9.518 -2.142 11.754 1.00 0.00 H new ATOM 1720 N ARG A 110 12.137 -2.778 7.557 1.00 0.00 N ATOM 1721 CA ARG A 110 13.513 -3.177 7.304 1.00 0.00 C ATOM 1722 C ARG A 110 14.068 -2.439 6.088 1.00 0.00 C ATOM 1723 O ARG A 110 15.205 -1.968 6.102 1.00 0.00 O ATOM 1724 CB ARG A 110 13.602 -4.700 7.117 1.00 0.00 C ATOM 1725 CG ARG A 110 13.388 -5.185 5.688 1.00 0.00 C ATOM 1726 CD ARG A 110 13.829 -6.631 5.519 1.00 0.00 C ATOM 1727 NE ARG A 110 12.701 -7.524 5.265 1.00 0.00 N ATOM 1728 CZ ARG A 110 12.735 -8.840 5.467 1.00 0.00 C ATOM 1729 NH1 ARG A 110 13.839 -9.421 5.921 1.00 0.00 N ATOM 1730 NH2 ARG A 110 11.663 -9.577 5.213 1.00 0.00 N ATOM 0 H ARG A 110 11.446 -3.251 6.974 1.00 0.00 H new ATOM 0 HA ARG A 110 14.121 -2.906 8.167 1.00 0.00 H new ATOM 0 HB2 ARG A 110 14.582 -5.036 7.456 1.00 0.00 H new ATOM 0 HB3 ARG A 110 12.861 -5.174 7.761 1.00 0.00 H new ATOM 0 HG2 ARG A 110 12.334 -5.092 5.425 1.00 0.00 H new ATOM 0 HG3 ARG A 110 13.946 -4.550 5.000 1.00 0.00 H new ATOM 0 HD2 ARG A 110 14.538 -6.699 4.694 1.00 0.00 H new ATOM 0 HD3 ARG A 110 14.354 -6.957 6.417 1.00 0.00 H new ATOM 0 HE ARG A 110 11.836 -7.115 4.912 1.00 0.00 H new ATOM 0 HH11 ARG A 110 14.667 -8.859 6.117 1.00 0.00 H new ATOM 0 HH12 ARG A 110 13.859 -10.429 6.074 1.00 0.00 H new ATOM 0 HH21 ARG A 110 10.812 -9.136 4.863 1.00 0.00 H new ATOM 0 HH22 ARG A 110 11.689 -10.585 5.368 1.00 0.00 H new ATOM 1744 N TYR A 111 13.256 -2.338 5.036 1.00 0.00 N ATOM 1745 CA TYR A 111 13.670 -1.652 3.819 1.00 0.00 C ATOM 1746 C TYR A 111 13.934 -0.174 4.091 1.00 0.00 C ATOM 1747 O TYR A 111 14.825 0.427 3.494 1.00 0.00 O ATOM 1748 CB TYR A 111 12.600 -1.804 2.734 1.00 0.00 C ATOM 1749 CG TYR A 111 12.880 -2.916 1.745 1.00 0.00 C ATOM 1750 CD1 TYR A 111 13.659 -4.013 2.096 1.00 0.00 C ATOM 1751 CD2 TYR A 111 12.360 -2.868 0.457 1.00 0.00 C ATOM 1752 CE1 TYR A 111 13.913 -5.027 1.192 1.00 0.00 C ATOM 1753 CE2 TYR A 111 12.609 -3.879 -0.452 1.00 0.00 C ATOM 1754 CZ TYR A 111 13.385 -4.956 -0.079 1.00 0.00 C ATOM 1755 OH TYR A 111 13.635 -5.964 -0.982 1.00 0.00 O ATOM 0 H TYR A 111 12.312 -2.722 5.005 1.00 0.00 H new ATOM 0 HA TYR A 111 14.596 -2.108 3.470 1.00 0.00 H new ATOM 0 HB2 TYR A 111 11.637 -1.989 3.211 1.00 0.00 H new ATOM 0 HB3 TYR A 111 12.511 -0.863 2.191 1.00 0.00 H new ATOM 0 HD1 TYR A 111 14.073 -4.074 3.092 1.00 0.00 H new ATOM 0 HD2 TYR A 111 11.751 -2.026 0.161 1.00 0.00 H new ATOM 0 HE1 TYR A 111 14.522 -5.871 1.480 1.00 0.00 H new ATOM 0 HE2 TYR A 111 12.198 -3.826 -1.449 1.00 0.00 H new ATOM 0 HH TYR A 111 14.158 -5.610 -1.731 1.00 0.00 H new ATOM 1765 N LYS A 112 13.152 0.403 4.995 1.00 0.00 N ATOM 1766 CA LYS A 112 13.293 1.805 5.352 1.00 0.00 C ATOM 1767 C LYS A 112 14.699 2.107 5.857 1.00 0.00 C ATOM 1768 O LYS A 112 15.362 3.028 5.379 1.00 0.00 O ATOM 1769 CB LYS A 112 12.274 2.154 6.430 1.00 0.00 C ATOM 1770 CG LYS A 112 10.919 2.541 5.877 1.00 0.00 C ATOM 1771 CD LYS A 112 10.799 4.042 5.748 1.00 0.00 C ATOM 1772 CE LYS A 112 11.808 4.598 4.756 1.00 0.00 C ATOM 1773 NZ LYS A 112 11.533 4.145 3.364 1.00 0.00 N ATOM 0 H LYS A 112 12.409 -0.084 5.496 1.00 0.00 H new ATOM 0 HA LYS A 112 13.117 2.408 4.461 1.00 0.00 H new ATOM 0 HB2 LYS A 112 12.155 1.300 7.097 1.00 0.00 H new ATOM 0 HB3 LYS A 112 12.661 2.977 7.032 1.00 0.00 H new ATOM 0 HG2 LYS A 112 10.773 2.075 4.902 1.00 0.00 H new ATOM 0 HG3 LYS A 112 10.133 2.164 6.532 1.00 0.00 H new ATOM 0 HD2 LYS A 112 9.790 4.301 5.427 1.00 0.00 H new ATOM 0 HD3 LYS A 112 10.952 4.505 6.723 1.00 0.00 H new ATOM 0 HE2 LYS A 112 11.789 5.687 4.793 1.00 0.00 H new ATOM 0 HE3 LYS A 112 12.811 4.286 5.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 12.365 3.644 2.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 10.714 3.505 3.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 11.328 4.970 2.765 1.00 0.00 H new ATOM 1969 N ASP B 70 -11.828 3.973 5.835 1.00 0.00 N ATOM 1970 CA ASP B 70 -11.604 5.120 6.706 1.00 0.00 C ATOM 1971 C ASP B 70 -11.279 4.695 8.139 1.00 0.00 C ATOM 1972 O ASP B 70 -11.953 5.100 9.087 1.00 0.00 O ATOM 1973 CB ASP B 70 -12.840 6.016 6.692 1.00 0.00 C ATOM 1974 CG ASP B 70 -12.490 7.490 6.747 1.00 0.00 C ATOM 1975 OD1 ASP B 70 -12.262 8.005 7.862 1.00 0.00 O ATOM 1976 OD2 ASP B 70 -12.443 8.129 5.675 1.00 0.00 O ATOM 0 HA ASP B 70 -10.742 5.669 6.327 1.00 0.00 H new ATOM 0 HB2 ASP B 70 -13.419 5.817 5.790 1.00 0.00 H new ATOM 0 HB3 ASP B 70 -13.476 5.765 7.541 1.00 0.00 H new ATOM 1981 N ALA B 71 -10.234 3.890 8.289 1.00 0.00 N ATOM 1982 CA ALA B 71 -9.802 3.421 9.604 1.00 0.00 C ATOM 1983 C ALA B 71 -8.464 2.698 9.513 1.00 0.00 C ATOM 1984 O ALA B 71 -8.180 1.796 10.298 1.00 0.00 O ATOM 1985 CB ALA B 71 -10.854 2.520 10.234 1.00 0.00 C ATOM 0 H ALA B 71 -9.667 3.546 7.514 1.00 0.00 H new ATOM 0 HA ALA B 71 -9.675 4.295 10.243 1.00 0.00 H new ATOM 0 HB1 ALA B 71 -10.508 2.185 11.212 1.00 0.00 H new ATOM 0 HB2 ALA B 71 -11.786 3.074 10.349 1.00 0.00 H new ATOM 0 HB3 ALA B 71 -11.023 1.655 9.593 1.00 0.00 H new ATOM 1991 N THR B 72 -7.640 3.109 8.554 1.00 0.00 N ATOM 1992 CA THR B 72 -6.324 2.507 8.363 1.00 0.00 C ATOM 1993 C THR B 72 -5.214 3.538 8.564 1.00 0.00 C ATOM 1994 O THR B 72 -4.031 3.216 8.458 1.00 0.00 O ATOM 1995 CB THR B 72 -6.196 1.898 6.961 1.00 0.00 C ATOM 1996 OG1 THR B 72 -7.335 2.186 6.171 1.00 0.00 O ATOM 1997 CG2 THR B 72 -6.016 0.401 6.967 1.00 0.00 C ATOM 0 H THR B 72 -7.860 3.857 7.896 1.00 0.00 H new ATOM 0 HA THR B 72 -6.219 1.718 9.108 1.00 0.00 H new ATOM 0 HB THR B 72 -5.300 2.355 6.541 1.00 0.00 H new ATOM 0 HG1 THR B 72 -7.301 3.120 5.876 1.00 0.00 H new ATOM 0 HG21 THR B 72 -5.933 0.040 5.942 1.00 0.00 H new ATOM 0 HG22 THR B 72 -5.110 0.146 7.516 1.00 0.00 H new ATOM 0 HG23 THR B 72 -6.875 -0.067 7.447 1.00 0.00 H new ATOM 2005 N TRP B 73 -5.601 4.784 8.825 1.00 0.00 N ATOM 2006 CA TRP B 73 -4.635 5.862 9.010 1.00 0.00 C ATOM 2007 C TRP B 73 -4.399 6.141 10.490 1.00 0.00 C ATOM 2008 O TRP B 73 -4.329 7.298 10.907 1.00 0.00 O ATOM 2009 CB TRP B 73 -5.118 7.142 8.307 1.00 0.00 C ATOM 2010 CG TRP B 73 -6.191 6.900 7.285 1.00 0.00 C ATOM 2011 CD1 TRP B 73 -7.336 7.616 7.107 1.00 0.00 C ATOM 2012 CD2 TRP B 73 -6.216 5.860 6.309 1.00 0.00 C ATOM 2013 NE1 TRP B 73 -8.074 7.081 6.077 1.00 0.00 N ATOM 2014 CE2 TRP B 73 -7.403 5.999 5.571 1.00 0.00 C ATOM 2015 CE3 TRP B 73 -5.345 4.826 5.991 1.00 0.00 C ATOM 2016 CZ2 TRP B 73 -7.734 5.131 4.532 1.00 0.00 C ATOM 2017 CZ3 TRP B 73 -5.672 3.970 4.966 1.00 0.00 C ATOM 2018 CH2 TRP B 73 -6.854 4.125 4.249 1.00 0.00 C ATOM 0 H TRP B 73 -6.576 5.071 8.913 1.00 0.00 H new ATOM 0 HA TRP B 73 -3.692 5.544 8.565 1.00 0.00 H new ATOM 0 HB2 TRP B 73 -5.493 7.839 9.057 1.00 0.00 H new ATOM 0 HB3 TRP B 73 -4.268 7.623 7.822 1.00 0.00 H new ATOM 0 HD1 TRP B 73 -7.623 8.479 7.690 1.00 0.00 H new ATOM 0 HE1 TRP B 73 -8.972 7.432 5.745 1.00 0.00 H new ATOM 0 HE3 TRP B 73 -4.424 4.696 6.541 1.00 0.00 H new ATOM 0 HZ2 TRP B 73 -8.650 5.249 3.973 1.00 0.00 H new ATOM 0 HZ3 TRP B 73 -5.000 3.163 4.713 1.00 0.00 H new ATOM 0 HH2 TRP B 73 -7.081 3.434 3.450 1.00 0.00 H new ATOM 2029 N ASP B 74 -4.280 5.082 11.285 1.00 0.00 N ATOM 2030 CA ASP B 74 -4.055 5.246 12.715 1.00 0.00 C ATOM 2031 C ASP B 74 -3.527 3.971 13.372 1.00 0.00 C ATOM 2032 O ASP B 74 -3.655 3.797 14.584 1.00 0.00 O ATOM 2033 CB ASP B 74 -5.352 5.685 13.400 1.00 0.00 C ATOM 2034 CG ASP B 74 -5.102 6.368 14.730 1.00 0.00 C ATOM 2035 OD1 ASP B 74 -4.009 6.171 15.302 1.00 0.00 O ATOM 2036 OD2 ASP B 74 -5.998 7.100 15.199 1.00 0.00 O ATOM 0 H ASP B 74 -4.335 4.114 10.968 1.00 0.00 H new ATOM 0 HA ASP B 74 -3.291 6.014 12.836 1.00 0.00 H new ATOM 0 HB2 ASP B 74 -5.895 6.364 12.743 1.00 0.00 H new ATOM 0 HB3 ASP B 74 -5.990 4.815 13.556 1.00 0.00 H new ATOM 2041 N LEU B 75 -2.918 3.090 12.585 1.00 0.00 N ATOM 2042 CA LEU B 75 -2.363 1.853 13.131 1.00 0.00 C ATOM 2043 C LEU B 75 -0.918 1.641 12.689 1.00 0.00 C ATOM 2044 O LEU B 75 -0.188 0.852 13.290 1.00 0.00 O ATOM 2045 CB LEU B 75 -3.220 0.639 12.757 1.00 0.00 C ATOM 2046 CG LEU B 75 -3.548 0.469 11.272 1.00 0.00 C ATOM 2047 CD1 LEU B 75 -4.504 1.544 10.799 1.00 0.00 C ATOM 2048 CD2 LEU B 75 -2.287 0.485 10.429 1.00 0.00 C ATOM 0 H LEU B 75 -2.796 3.205 11.579 1.00 0.00 H new ATOM 0 HA LEU B 75 -2.373 1.954 14.216 1.00 0.00 H new ATOM 0 HB2 LEU B 75 -2.707 -0.260 13.099 1.00 0.00 H new ATOM 0 HB3 LEU B 75 -4.158 0.700 13.309 1.00 0.00 H new ATOM 0 HG LEU B 75 -4.031 -0.501 11.153 1.00 0.00 H new ATOM 0 HD11 LEU B 75 -4.720 1.399 9.740 1.00 0.00 H new ATOM 0 HD12 LEU B 75 -5.431 1.484 11.370 1.00 0.00 H new ATOM 0 HD13 LEU B 75 -4.051 2.524 10.946 1.00 0.00 H new ATOM 0 HD21 LEU B 75 -2.550 0.362 9.378 1.00 0.00 H new ATOM 0 HD22 LEU B 75 -1.770 1.435 10.565 1.00 0.00 H new ATOM 0 HD23 LEU B 75 -1.633 -0.331 10.737 1.00 0.00 H new