USER MOD reduce.3.24.130724 H: found=0, std=0, add=616, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 617 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 41 THR OG1 : rot -102:sc= 0.97 USER MOD Set 1.2: A 42 LYS NZ :NH3+ -119:sc= 1.17 (180deg=-0.171) USER MOD Set 2.1: A 7 ASN : amide:sc= -0.104 K(o=2,f=-9.8!) USER MOD Set 2.2: A 14 TYR OH : rot 0:sc= 2.09 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0243 USER MOD Single : A 23 MET CE :methyl -150:sc= -0.435 (180deg=-1.58!) USER MOD Single : A 26 THR OG1 : rot 151:sc= -1.27! USER MOD Single : A 33 GLN : amide:sc= -0.189 K(o=-0.19,f=-0.94) USER MOD Single : A 36 CYS SG : rot -82:sc= -2.75 USER MOD Single : A 40 LYS NZ :NH3+ 162:sc= -3.46! (180deg=-4.53!) USER MOD Single : A 43 HIS : no HD1:sc= -8.83! C(o=-8.8!,f=-14!) USER MOD Single : A 46 TYR OH : rot 180:sc= 0.589 USER MOD Single : A 47 TYR OH : rot -27:sc= -0.185 USER MOD Single : A 48 ASN :FLIP amide:sc= -0.304 F(o=-1.8,f=-0.3) USER MOD Single : A 49 MET CE :methyl 170:sc=-0.00158 (180deg=-0.175) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= 0.368 X(o=0.37,f=-0.087) USER MOD Single : A 57 THR OG1 : rot 54:sc= 1.21 USER MOD Single : A 58 GLN :FLIP amide:sc= -0.847 F(o=-3.2!,f=-0.85) USER MOD Single : A 59 SER OG : rot -132:sc= -1.28! USER MOD Single : A 61 LYS NZ :NH3+ -137:sc= 0 (180deg=-0.368) USER MOD Single : A 66 LYS NZ :NH3+ -131:sc= 1.34 (180deg=0.936) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.00263 USER MOD Single : A 76 LYS NZ :NH3+ -174:sc=-0.00475 (180deg=-0.0725) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 ASN :FLIP amide:sc= -0.694 F(o=-2.2!,f=-0.69) USER MOD Single : A 80 SER OG : rot -139:sc= 1.03 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 2 -10.989 3.078 -5.579 1.00 0.00 N ATOM 2 CA ASP A 2 -10.673 1.725 -5.988 1.00 0.00 C ATOM 3 C ASP A 2 -9.156 1.581 -6.048 1.00 0.00 C ATOM 4 O ASP A 2 -8.514 1.978 -7.021 1.00 0.00 O ATOM 5 CB ASP A 2 -11.312 1.459 -7.366 1.00 0.00 C ATOM 6 CG ASP A 2 -11.052 0.076 -7.954 1.00 0.00 C ATOM 7 OD1 ASP A 2 -9.907 -0.417 -7.895 1.00 0.00 O ATOM 8 OD2 ASP A 2 -12.005 -0.511 -8.522 1.00 0.00 O ATOM 0 HA ASP A 2 -11.068 0.998 -5.279 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -12.389 1.602 -7.281 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -10.945 2.208 -8.068 1.00 0.00 H new ATOM 13 N LEU A 3 -8.586 1.057 -4.989 1.00 0.00 N ATOM 14 CA LEU A 3 -7.162 0.934 -4.854 1.00 0.00 C ATOM 15 C LEU A 3 -6.761 -0.529 -5.039 1.00 0.00 C ATOM 16 O LEU A 3 -7.434 -1.418 -4.519 1.00 0.00 O ATOM 17 CB LEU A 3 -6.799 1.472 -3.472 1.00 0.00 C ATOM 18 CG LEU A 3 -5.745 0.694 -2.724 1.00 0.00 C ATOM 19 CD1 LEU A 3 -4.364 1.160 -3.127 1.00 0.00 C ATOM 20 CD2 LEU A 3 -5.936 0.829 -1.226 1.00 0.00 C ATOM 0 H LEU A 3 -9.109 0.701 -4.189 1.00 0.00 H new ATOM 0 HA LEU A 3 -6.623 1.504 -5.611 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -6.456 2.501 -3.581 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -7.703 1.500 -2.864 1.00 0.00 H new ATOM 0 HG LEU A 3 -5.847 -0.359 -2.984 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -3.613 0.590 -2.579 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -4.226 1.007 -4.197 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -4.255 2.219 -2.895 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -5.164 0.259 -0.708 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -5.863 1.879 -0.943 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -6.918 0.446 -0.948 1.00 0.00 H new ATOM 32 N THR A 4 -5.682 -0.784 -5.775 1.00 0.00 N ATOM 33 CA THR A 4 -5.337 -2.131 -6.152 1.00 0.00 C ATOM 34 C THR A 4 -4.110 -2.561 -5.407 1.00 0.00 C ATOM 35 O THR A 4 -3.059 -1.954 -5.541 1.00 0.00 O ATOM 36 CB THR A 4 -5.035 -2.212 -7.651 1.00 0.00 C ATOM 37 OG1 THR A 4 -6.155 -1.729 -8.409 1.00 0.00 O ATOM 38 CG2 THR A 4 -4.708 -3.639 -8.073 1.00 0.00 C ATOM 0 H THR A 4 -5.039 -0.069 -6.116 1.00 0.00 H new ATOM 0 HA THR A 4 -6.181 -2.778 -5.913 1.00 0.00 H new ATOM 0 HB THR A 4 -4.164 -1.587 -7.850 1.00 0.00 H new ATOM 0 HG1 THR A 4 -5.950 -1.784 -9.366 1.00 0.00 H new ATOM 0 HG21 THR A 4 -4.498 -3.663 -9.142 1.00 0.00 H new ATOM 0 HG22 THR A 4 -3.834 -3.990 -7.524 1.00 0.00 H new ATOM 0 HG23 THR A 4 -5.557 -4.287 -7.855 1.00 0.00 H new ATOM 46 N ILE A 5 -4.205 -3.591 -4.622 1.00 0.00 N ATOM 47 CA ILE A 5 -3.034 -4.040 -3.929 1.00 0.00 C ATOM 48 C ILE A 5 -2.499 -5.257 -4.605 1.00 0.00 C ATOM 49 O ILE A 5 -3.240 -6.106 -5.094 1.00 0.00 O ATOM 50 CB ILE A 5 -3.294 -4.378 -2.469 1.00 0.00 C ATOM 51 CG1 ILE A 5 -4.285 -3.383 -1.901 1.00 0.00 C ATOM 52 CG2 ILE A 5 -1.989 -4.442 -1.692 1.00 0.00 C ATOM 53 CD1 ILE A 5 -3.782 -1.975 -1.741 1.00 0.00 C ATOM 0 H ILE A 5 -5.056 -4.125 -4.447 1.00 0.00 H new ATOM 0 HA ILE A 5 -2.320 -3.217 -3.955 1.00 0.00 H new ATOM 0 HB ILE A 5 -3.738 -5.369 -2.382 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -5.162 -3.364 -2.547 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -4.615 -3.744 -0.927 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -2.197 -4.685 -0.650 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -1.347 -5.210 -2.122 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -1.486 -3.477 -1.746 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -4.574 -1.351 -1.327 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -2.925 -1.969 -1.067 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -3.482 -1.583 -2.713 1.00 0.00 H new ATOM 65 N SER A 6 -1.218 -5.333 -4.619 1.00 0.00 N ATOM 66 CA SER A 6 -0.557 -6.459 -5.181 1.00 0.00 C ATOM 67 C SER A 6 0.528 -6.866 -4.270 1.00 0.00 C ATOM 68 O SER A 6 1.436 -6.109 -3.971 1.00 0.00 O ATOM 69 CB SER A 6 0.005 -6.156 -6.546 1.00 0.00 C ATOM 70 OG SER A 6 -0.200 -4.795 -6.898 1.00 0.00 O ATOM 0 H SER A 6 -0.596 -4.618 -4.242 1.00 0.00 H new ATOM 0 HA SER A 6 -1.281 -7.265 -5.302 1.00 0.00 H new ATOM 0 HB2 SER A 6 1.071 -6.381 -6.561 1.00 0.00 H new ATOM 0 HB3 SER A 6 -0.467 -6.801 -7.287 1.00 0.00 H new ATOM 0 HG SER A 6 0.176 -4.627 -7.787 1.00 0.00 H new ATOM 76 N ASN A 7 0.407 -8.063 -3.842 1.00 0.00 N ATOM 77 CA ASN A 7 1.353 -8.636 -2.946 1.00 0.00 C ATOM 78 C ASN A 7 2.539 -9.064 -3.767 1.00 0.00 C ATOM 79 O ASN A 7 2.525 -10.112 -4.405 1.00 0.00 O ATOM 80 CB ASN A 7 0.712 -9.798 -2.218 1.00 0.00 C ATOM 81 CG ASN A 7 1.612 -10.445 -1.214 1.00 0.00 C ATOM 82 OD1 ASN A 7 2.832 -10.506 -1.366 1.00 0.00 O ATOM 83 ND2 ASN A 7 1.000 -10.937 -0.179 1.00 0.00 N ATOM 0 H ASN A 7 -0.358 -8.686 -4.102 1.00 0.00 H new ATOM 0 HA ASN A 7 1.681 -7.926 -2.187 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -0.189 -9.448 -1.714 1.00 0.00 H new ATOM 0 HB3 ASN A 7 0.399 -10.545 -2.948 1.00 0.00 H new ATOM 0 HD21 ASN A 7 1.534 -11.401 0.556 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -0.014 -10.860 -0.102 1.00 0.00 H new ATOM 90 N GLU A 8 3.552 -8.235 -3.745 1.00 0.00 N ATOM 91 CA GLU A 8 4.685 -8.376 -4.689 1.00 0.00 C ATOM 92 C GLU A 8 5.506 -9.620 -4.419 1.00 0.00 C ATOM 93 O GLU A 8 6.298 -10.060 -5.252 1.00 0.00 O ATOM 94 CB GLU A 8 5.612 -7.155 -4.645 1.00 0.00 C ATOM 95 CG GLU A 8 5.290 -6.095 -5.673 1.00 0.00 C ATOM 96 CD GLU A 8 5.584 -6.547 -7.088 1.00 0.00 C ATOM 97 OE1 GLU A 8 4.831 -7.390 -7.619 1.00 0.00 O ATOM 98 OE2 GLU A 8 6.568 -6.060 -7.678 1.00 0.00 O ATOM 0 H GLU A 8 3.636 -7.453 -3.096 1.00 0.00 H new ATOM 0 HA GLU A 8 4.237 -8.458 -5.679 1.00 0.00 H new ATOM 0 HB2 GLU A 8 5.560 -6.709 -3.652 1.00 0.00 H new ATOM 0 HB3 GLU A 8 6.640 -7.488 -4.792 1.00 0.00 H new ATOM 0 HG2 GLU A 8 4.237 -5.825 -5.593 1.00 0.00 H new ATOM 0 HG3 GLU A 8 5.867 -5.196 -5.455 1.00 0.00 H new ATOM 105 N LEU A 9 5.303 -10.186 -3.262 1.00 0.00 N ATOM 106 CA LEU A 9 6.080 -11.310 -2.818 1.00 0.00 C ATOM 107 C LEU A 9 5.397 -12.604 -3.179 1.00 0.00 C ATOM 108 O LEU A 9 6.002 -13.511 -3.753 1.00 0.00 O ATOM 109 CB LEU A 9 6.227 -11.215 -1.320 1.00 0.00 C ATOM 110 CG LEU A 9 7.094 -10.065 -0.848 1.00 0.00 C ATOM 111 CD1 LEU A 9 6.779 -9.771 0.589 1.00 0.00 C ATOM 112 CD2 LEU A 9 8.572 -10.390 -1.020 1.00 0.00 C ATOM 0 H LEU A 9 4.592 -9.880 -2.598 1.00 0.00 H new ATOM 0 HA LEU A 9 7.056 -11.296 -3.302 1.00 0.00 H new ATOM 0 HB2 LEU A 9 5.237 -11.114 -0.876 1.00 0.00 H new ATOM 0 HB3 LEU A 9 6.649 -12.149 -0.949 1.00 0.00 H new ATOM 0 HG LEU A 9 6.880 -9.184 -1.453 1.00 0.00 H new ATOM 0 HD11 LEU A 9 7.399 -8.944 0.936 1.00 0.00 H new ATOM 0 HD12 LEU A 9 5.727 -9.500 0.683 1.00 0.00 H new ATOM 0 HD13 LEU A 9 6.981 -10.655 1.194 1.00 0.00 H new ATOM 0 HD21 LEU A 9 9.172 -9.549 -0.674 1.00 0.00 H new ATOM 0 HD22 LEU A 9 8.820 -11.277 -0.437 1.00 0.00 H new ATOM 0 HD23 LEU A 9 8.783 -10.578 -2.073 1.00 0.00 H new ATOM 124 N THR A 10 4.121 -12.664 -2.868 1.00 0.00 N ATOM 125 CA THR A 10 3.374 -13.850 -2.980 1.00 0.00 C ATOM 126 C THR A 10 2.643 -13.880 -4.313 1.00 0.00 C ATOM 127 O THR A 10 2.300 -14.938 -4.843 1.00 0.00 O ATOM 128 CB THR A 10 2.446 -13.900 -1.771 1.00 0.00 C ATOM 129 OG1 THR A 10 3.097 -14.520 -0.656 1.00 0.00 O ATOM 130 CG2 THR A 10 1.202 -14.604 -2.120 1.00 0.00 C ATOM 0 H THR A 10 3.585 -11.866 -2.527 1.00 0.00 H new ATOM 0 HA THR A 10 4.002 -14.741 -2.975 1.00 0.00 H new ATOM 0 HB THR A 10 2.194 -12.881 -1.479 1.00 0.00 H new ATOM 0 HG1 THR A 10 2.486 -14.541 0.110 1.00 0.00 H new ATOM 0 HG21 THR A 10 0.545 -14.635 -1.251 1.00 0.00 H new ATOM 0 HG22 THR A 10 0.702 -14.078 -2.934 1.00 0.00 H new ATOM 0 HG23 THR A 10 1.436 -15.621 -2.435 1.00 0.00 H new ATOM 138 N GLY A 11 2.467 -12.701 -4.863 1.00 0.00 N ATOM 139 CA GLY A 11 1.929 -12.574 -6.204 1.00 0.00 C ATOM 140 C GLY A 11 0.423 -12.476 -6.225 1.00 0.00 C ATOM 141 O GLY A 11 -0.199 -12.574 -7.285 1.00 0.00 O ATOM 0 H GLY A 11 2.687 -11.816 -4.406 1.00 0.00 H new ATOM 0 HA2 GLY A 11 2.352 -11.688 -6.678 1.00 0.00 H new ATOM 0 HA3 GLY A 11 2.241 -13.433 -6.798 1.00 0.00 H new ATOM 145 N GLU A 12 -0.164 -12.290 -5.057 1.00 0.00 N ATOM 146 CA GLU A 12 -1.577 -12.142 -4.960 1.00 0.00 C ATOM 147 C GLU A 12 -1.954 -10.772 -5.383 1.00 0.00 C ATOM 148 O GLU A 12 -1.181 -9.818 -5.292 1.00 0.00 O ATOM 149 CB GLU A 12 -2.109 -12.339 -3.556 1.00 0.00 C ATOM 150 CG GLU A 12 -1.739 -13.664 -2.932 1.00 0.00 C ATOM 151 CD GLU A 12 -2.444 -13.902 -1.616 1.00 0.00 C ATOM 152 OE1 GLU A 12 -2.020 -13.321 -0.602 1.00 0.00 O ATOM 153 OE2 GLU A 12 -3.427 -14.669 -1.586 1.00 0.00 O ATOM 0 H GLU A 12 0.332 -12.240 -4.167 1.00 0.00 H new ATOM 0 HA GLU A 12 -2.008 -12.912 -5.600 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -1.735 -11.535 -2.922 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -3.195 -12.250 -3.576 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -1.986 -14.469 -3.624 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -0.661 -13.699 -2.774 1.00 0.00 H new ATOM 160 N ILE A 13 -3.170 -10.702 -5.755 1.00 0.00 N ATOM 161 CA ILE A 13 -3.769 -9.496 -6.263 1.00 0.00 C ATOM 162 C ILE A 13 -5.054 -9.246 -5.524 1.00 0.00 C ATOM 163 O ILE A 13 -6.014 -10.012 -5.622 1.00 0.00 O ATOM 164 CB ILE A 13 -4.031 -9.549 -7.784 1.00 0.00 C ATOM 165 CG1 ILE A 13 -2.727 -9.817 -8.541 1.00 0.00 C ATOM 166 CG2 ILE A 13 -4.647 -8.236 -8.250 1.00 0.00 C ATOM 167 CD1 ILE A 13 -1.587 -8.929 -8.091 1.00 0.00 C ATOM 0 H ILE A 13 -3.811 -11.495 -5.721 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.065 -8.679 -6.101 1.00 0.00 H new ATOM 0 HB ILE A 13 -4.726 -10.362 -7.992 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -2.443 -10.860 -8.405 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -2.896 -9.669 -9.608 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -4.829 -8.280 -9.324 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -5.590 -8.071 -7.729 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -3.963 -7.416 -8.032 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -0.692 -9.168 -8.665 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -1.854 -7.885 -8.252 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -1.393 -9.094 -7.031 1.00 0.00 H new ATOM 179 N TYR A 14 -5.042 -8.189 -4.759 1.00 0.00 N ATOM 180 CA TYR A 14 -6.156 -7.849 -3.902 1.00 0.00 C ATOM 181 C TYR A 14 -6.986 -6.771 -4.560 1.00 0.00 C ATOM 182 O TYR A 14 -6.480 -5.988 -5.382 1.00 0.00 O ATOM 183 CB TYR A 14 -5.587 -7.387 -2.588 1.00 0.00 C ATOM 184 CG TYR A 14 -4.679 -8.353 -2.013 1.00 0.00 C ATOM 185 CD1 TYR A 14 -5.006 -9.676 -1.751 1.00 0.00 C ATOM 186 CD2 TYR A 14 -3.478 -7.911 -1.734 1.00 0.00 C ATOM 187 CE1 TYR A 14 -4.066 -10.517 -1.199 1.00 0.00 C ATOM 188 CE2 TYR A 14 -2.561 -8.679 -1.214 1.00 0.00 C ATOM 189 CZ TYR A 14 -2.821 -10.003 -0.925 1.00 0.00 C ATOM 190 OH TYR A 14 -1.845 -10.794 -0.360 1.00 0.00 O ATOM 0 H TYR A 14 -4.261 -7.535 -4.709 1.00 0.00 H new ATOM 0 HA TYR A 14 -6.809 -8.705 -3.733 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -5.064 -6.442 -2.733 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -6.401 -7.196 -1.889 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -5.995 -10.045 -1.979 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -3.240 -6.878 -1.941 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -4.300 -11.550 -0.988 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -1.582 -8.272 -1.006 1.00 0.00 H new ATOM 0 HH TYR A 14 -2.199 -11.696 -0.215 1.00 0.00 H new ATOM 200 N GLY A 15 -8.215 -6.663 -4.115 1.00 0.00 N ATOM 201 CA GLY A 15 -9.235 -6.078 -4.929 1.00 0.00 C ATOM 202 C GLY A 15 -9.461 -4.625 -4.659 1.00 0.00 C ATOM 203 O GLY A 15 -8.771 -4.024 -3.837 1.00 0.00 O ATOM 0 H GLY A 15 -8.525 -6.974 -3.195 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -8.968 -6.206 -5.978 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -10.169 -6.617 -4.769 1.00 0.00 H new ATOM 207 N PRO A 16 -10.440 -4.044 -5.353 1.00 0.00 N ATOM 208 CA PRO A 16 -10.702 -2.608 -5.341 1.00 0.00 C ATOM 209 C PRO A 16 -11.041 -2.118 -3.958 1.00 0.00 C ATOM 210 O PRO A 16 -12.174 -2.249 -3.483 1.00 0.00 O ATOM 211 CB PRO A 16 -11.919 -2.472 -6.238 1.00 0.00 C ATOM 212 CG PRO A 16 -12.573 -3.782 -6.089 1.00 0.00 C ATOM 213 CD PRO A 16 -11.445 -4.751 -6.158 1.00 0.00 C ATOM 0 HA PRO A 16 -9.838 -2.028 -5.666 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -12.568 -1.656 -5.920 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -11.640 -2.273 -7.273 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -13.108 -3.857 -5.142 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -13.301 -3.958 -6.881 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -11.706 -5.722 -5.737 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -11.110 -4.926 -7.180 1.00 0.00 H new ATOM 221 N ILE A 17 -10.066 -1.557 -3.317 1.00 0.00 N ATOM 222 CA ILE A 17 -10.265 -1.030 -2.009 1.00 0.00 C ATOM 223 C ILE A 17 -10.711 0.400 -2.076 1.00 0.00 C ATOM 224 O ILE A 17 -10.070 1.260 -2.675 1.00 0.00 O ATOM 225 CB ILE A 17 -9.021 -1.163 -1.138 1.00 0.00 C ATOM 226 CG1 ILE A 17 -8.936 -2.607 -0.659 1.00 0.00 C ATOM 227 CG2 ILE A 17 -9.071 -0.175 0.025 1.00 0.00 C ATOM 228 CD1 ILE A 17 -7.873 -2.837 0.382 1.00 0.00 C ATOM 0 H ILE A 17 -9.119 -1.453 -3.682 1.00 0.00 H new ATOM 0 HA ILE A 17 -11.051 -1.623 -1.541 1.00 0.00 H new ATOM 0 HB ILE A 17 -8.124 -0.922 -1.709 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -9.902 -2.903 -0.250 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -8.740 -3.254 -1.514 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -8.174 -0.285 0.635 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -9.123 0.842 -0.364 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -9.952 -0.375 0.635 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -7.872 -3.887 0.675 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -6.898 -2.574 -0.029 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -8.078 -2.217 1.255 1.00 0.00 H new ATOM 240 N GLU A 18 -11.835 0.622 -1.463 1.00 0.00 N ATOM 241 CA GLU A 18 -12.400 1.943 -1.381 1.00 0.00 C ATOM 242 C GLU A 18 -11.573 2.767 -0.419 1.00 0.00 C ATOM 243 O GLU A 18 -11.604 2.533 0.791 1.00 0.00 O ATOM 244 CB GLU A 18 -13.850 1.866 -0.907 1.00 0.00 C ATOM 245 CG GLU A 18 -14.506 3.221 -0.716 1.00 0.00 C ATOM 246 CD GLU A 18 -15.932 3.112 -0.222 1.00 0.00 C ATOM 247 OE1 GLU A 18 -16.137 3.052 1.008 1.00 0.00 O ATOM 248 OE2 GLU A 18 -16.854 3.085 -1.064 1.00 0.00 O ATOM 0 H GLU A 18 -12.388 -0.103 -1.006 1.00 0.00 H new ATOM 0 HA GLU A 18 -12.389 2.412 -2.365 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -14.429 1.292 -1.630 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -13.886 1.320 0.036 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -13.923 3.806 -0.005 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -14.493 3.763 -1.661 1.00 0.00 H new ATOM 255 N VAL A 19 -10.816 3.714 -0.943 1.00 0.00 N ATOM 256 CA VAL A 19 -10.068 4.580 -0.073 1.00 0.00 C ATOM 257 C VAL A 19 -10.716 5.929 0.022 1.00 0.00 C ATOM 258 O VAL A 19 -11.164 6.516 -0.960 1.00 0.00 O ATOM 259 CB VAL A 19 -8.588 4.750 -0.488 1.00 0.00 C ATOM 260 CG1 VAL A 19 -8.001 3.418 -0.841 1.00 0.00 C ATOM 261 CG2 VAL A 19 -8.385 5.744 -1.621 1.00 0.00 C ATOM 0 H VAL A 19 -10.709 3.895 -1.941 1.00 0.00 H new ATOM 0 HA VAL A 19 -10.073 4.091 0.901 1.00 0.00 H new ATOM 0 HB VAL A 19 -8.066 5.168 0.373 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -6.958 3.546 -1.132 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -8.058 2.755 0.022 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -8.559 2.983 -1.670 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -7.324 5.812 -1.859 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -8.934 5.409 -2.501 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -8.752 6.724 -1.316 1.00 0.00 H new ATOM 271 N SER A 20 -10.838 6.363 1.238 1.00 0.00 N ATOM 272 CA SER A 20 -11.320 7.684 1.524 1.00 0.00 C ATOM 273 C SER A 20 -10.135 8.566 1.809 1.00 0.00 C ATOM 274 O SER A 20 -9.177 8.140 2.442 1.00 0.00 O ATOM 275 CB SER A 20 -12.266 7.648 2.728 1.00 0.00 C ATOM 276 OG SER A 20 -12.751 8.941 3.044 1.00 0.00 O ATOM 0 H SER A 20 -10.606 5.812 2.064 1.00 0.00 H new ATOM 0 HA SER A 20 -11.875 8.077 0.672 1.00 0.00 H new ATOM 0 HB2 SER A 20 -13.105 6.986 2.514 1.00 0.00 H new ATOM 0 HB3 SER A 20 -11.744 7.233 3.590 1.00 0.00 H new ATOM 0 HG SER A 20 -13.353 8.885 3.815 1.00 0.00 H new ATOM 282 N GLU A 21 -10.201 9.788 1.342 1.00 0.00 N ATOM 283 CA GLU A 21 -9.140 10.739 1.571 1.00 0.00 C ATOM 284 C GLU A 21 -9.164 11.154 3.029 1.00 0.00 C ATOM 285 O GLU A 21 -8.174 11.628 3.589 1.00 0.00 O ATOM 286 CB GLU A 21 -9.339 11.927 0.643 1.00 0.00 C ATOM 287 CG GLU A 21 -10.649 12.673 0.855 1.00 0.00 C ATOM 288 CD GLU A 21 -10.862 13.779 -0.158 1.00 0.00 C ATOM 289 OE1 GLU A 21 -11.265 13.481 -1.300 1.00 0.00 O ATOM 290 OE2 GLU A 21 -10.619 14.955 0.178 1.00 0.00 O ATOM 0 H GLU A 21 -10.984 10.150 0.797 1.00 0.00 H new ATOM 0 HA GLU A 21 -8.165 10.301 1.358 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -8.511 12.623 0.780 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -9.295 11.579 -0.389 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -11.478 11.968 0.796 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -10.662 13.098 1.859 1.00 0.00 H new ATOM 297 N ASP A 22 -10.332 10.970 3.619 1.00 0.00 N ATOM 298 CA ASP A 22 -10.560 11.238 5.029 1.00 0.00 C ATOM 299 C ASP A 22 -10.179 10.050 5.930 1.00 0.00 C ATOM 300 O ASP A 22 -10.247 10.170 7.151 1.00 0.00 O ATOM 301 CB ASP A 22 -12.041 11.607 5.223 1.00 0.00 C ATOM 302 CG ASP A 22 -12.415 11.940 6.656 1.00 0.00 C ATOM 303 OD1 ASP A 22 -12.264 13.113 7.059 1.00 0.00 O ATOM 304 OD2 ASP A 22 -12.887 11.035 7.378 1.00 0.00 O ATOM 0 H ASP A 22 -11.158 10.627 3.128 1.00 0.00 H new ATOM 0 HA ASP A 22 -9.916 12.065 5.328 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -12.277 12.462 4.589 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -12.659 10.777 4.881 1.00 0.00 H new ATOM 309 N MET A 23 -9.742 8.913 5.374 1.00 0.00 N ATOM 310 CA MET A 23 -9.408 7.791 6.204 1.00 0.00 C ATOM 311 C MET A 23 -7.994 8.011 6.689 1.00 0.00 C ATOM 312 O MET A 23 -7.328 8.973 6.293 1.00 0.00 O ATOM 313 CB MET A 23 -9.568 6.497 5.379 1.00 0.00 C ATOM 314 CG MET A 23 -8.976 5.237 5.974 1.00 0.00 C ATOM 315 SD MET A 23 -9.614 3.736 5.200 1.00 0.00 S ATOM 316 CE MET A 23 -11.370 3.904 5.517 1.00 0.00 C ATOM 0 H MET A 23 -9.619 8.764 4.372 1.00 0.00 H new ATOM 0 HA MET A 23 -10.063 7.694 7.070 1.00 0.00 H new ATOM 0 HB2 MET A 23 -10.632 6.328 5.213 1.00 0.00 H new ATOM 0 HB3 MET A 23 -9.114 6.658 4.401 1.00 0.00 H new ATOM 0 HG2 MET A 23 -7.892 5.264 5.866 1.00 0.00 H new ATOM 0 HG3 MET A 23 -9.190 5.209 7.042 1.00 0.00 H new ATOM 0 HE1 MET A 23 -11.820 2.915 5.606 1.00 0.00 H new ATOM 0 HE2 MET A 23 -11.521 4.456 6.445 1.00 0.00 H new ATOM 0 HE3 MET A 23 -11.838 4.443 4.694 1.00 0.00 H new ATOM 326 N ALA A 24 -7.545 7.158 7.542 1.00 0.00 N ATOM 327 CA ALA A 24 -6.175 7.184 7.962 1.00 0.00 C ATOM 328 C ALA A 24 -5.434 6.190 7.106 1.00 0.00 C ATOM 329 O ALA A 24 -5.909 5.073 6.906 1.00 0.00 O ATOM 330 CB ALA A 24 -6.063 6.844 9.439 1.00 0.00 C ATOM 0 H ALA A 24 -8.108 6.423 7.970 1.00 0.00 H new ATOM 0 HA ALA A 24 -5.745 8.178 7.840 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -5.016 6.869 9.740 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -6.626 7.572 10.024 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -6.467 5.847 9.615 1.00 0.00 H new ATOM 336 N LEU A 25 -4.293 6.597 6.569 1.00 0.00 N ATOM 337 CA LEU A 25 -3.501 5.720 5.748 1.00 0.00 C ATOM 338 C LEU A 25 -3.151 4.494 6.561 1.00 0.00 C ATOM 339 O LEU A 25 -2.912 3.426 6.026 1.00 0.00 O ATOM 340 CB LEU A 25 -2.227 6.423 5.291 1.00 0.00 C ATOM 341 CG LEU A 25 -1.279 6.824 6.421 1.00 0.00 C ATOM 342 CD1 LEU A 25 0.097 7.108 5.889 1.00 0.00 C ATOM 343 CD2 LEU A 25 -1.793 8.028 7.192 1.00 0.00 C ATOM 0 H LEU A 25 -3.903 7.531 6.693 1.00 0.00 H new ATOM 0 HA LEU A 25 -4.067 5.435 4.861 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.693 5.768 4.603 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.502 7.317 4.731 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.229 5.980 7.109 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.754 7.391 6.711 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.490 6.216 5.402 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.047 7.923 5.167 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.089 8.279 7.986 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.895 8.877 6.516 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.764 7.793 7.629 1.00 0.00 H new ATOM 355 N THR A 26 -3.134 4.687 7.868 1.00 0.00 N ATOM 356 CA THR A 26 -2.924 3.630 8.814 1.00 0.00 C ATOM 357 C THR A 26 -4.030 2.588 8.791 1.00 0.00 C ATOM 358 O THR A 26 -3.765 1.411 8.925 1.00 0.00 O ATOM 359 CB THR A 26 -2.886 4.209 10.207 1.00 0.00 C ATOM 360 OG1 THR A 26 -3.346 5.568 10.181 1.00 0.00 O ATOM 361 CG2 THR A 26 -1.492 4.147 10.787 1.00 0.00 C ATOM 0 H THR A 26 -3.269 5.602 8.299 1.00 0.00 H new ATOM 0 HA THR A 26 -1.985 3.149 8.539 1.00 0.00 H new ATOM 0 HB THR A 26 -3.543 3.614 10.842 1.00 0.00 H new ATOM 0 HG1 THR A 26 -3.757 5.791 11.042 1.00 0.00 H new ATOM 0 HG21 THR A 26 -1.496 4.571 11.791 1.00 0.00 H new ATOM 0 HG22 THR A 26 -1.163 3.109 10.833 1.00 0.00 H new ATOM 0 HG23 THR A 26 -0.810 4.716 10.156 1.00 0.00 H new ATOM 369 N ASP A 27 -5.272 3.042 8.661 1.00 0.00 N ATOM 370 CA ASP A 27 -6.415 2.139 8.632 1.00 0.00 C ATOM 371 C ASP A 27 -6.383 1.379 7.324 1.00 0.00 C ATOM 372 O ASP A 27 -6.900 0.268 7.195 1.00 0.00 O ATOM 373 CB ASP A 27 -7.722 2.919 8.780 1.00 0.00 C ATOM 374 CG ASP A 27 -8.916 2.010 8.987 1.00 0.00 C ATOM 375 OD1 ASP A 27 -9.033 1.414 10.079 1.00 0.00 O ATOM 376 OD2 ASP A 27 -9.756 1.901 8.073 1.00 0.00 O ATOM 0 H ASP A 27 -5.512 4.030 8.574 1.00 0.00 H new ATOM 0 HA ASP A 27 -6.360 1.439 9.466 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -7.640 3.604 9.624 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -7.882 3.527 7.890 1.00 0.00 H new ATOM 381 N LEU A 28 -5.721 1.994 6.369 1.00 0.00 N ATOM 382 CA LEU A 28 -5.530 1.419 5.065 1.00 0.00 C ATOM 383 C LEU A 28 -4.457 0.327 5.127 1.00 0.00 C ATOM 384 O LEU A 28 -4.688 -0.818 4.739 1.00 0.00 O ATOM 385 CB LEU A 28 -5.121 2.532 4.116 1.00 0.00 C ATOM 386 CG LEU A 28 -5.844 2.527 2.786 1.00 0.00 C ATOM 387 CD1 LEU A 28 -5.922 1.113 2.255 1.00 0.00 C ATOM 388 CD2 LEU A 28 -7.225 3.132 2.939 1.00 0.00 C ATOM 0 H LEU A 28 -5.298 2.915 6.481 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.451 0.957 4.710 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -5.295 3.490 4.605 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.049 2.458 3.932 1.00 0.00 H new ATOM 0 HG LEU A 28 -5.291 3.134 2.069 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -6.443 1.112 1.298 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.915 0.719 2.120 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -6.465 0.488 2.964 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -7.735 3.123 1.976 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -7.800 2.550 3.659 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -7.135 4.159 3.292 1.00 0.00 H new ATOM 400 N ILE A 29 -3.286 0.712 5.624 1.00 0.00 N ATOM 401 CA ILE A 29 -2.227 -0.193 6.007 1.00 0.00 C ATOM 402 C ILE A 29 -2.751 -1.292 6.926 1.00 0.00 C ATOM 403 O ILE A 29 -2.268 -2.411 6.900 1.00 0.00 O ATOM 404 CB ILE A 29 -1.140 0.595 6.770 1.00 0.00 C ATOM 405 CG1 ILE A 29 -0.568 1.751 5.935 1.00 0.00 C ATOM 406 CG2 ILE A 29 -0.045 -0.323 7.222 1.00 0.00 C ATOM 407 CD1 ILE A 29 -0.414 1.439 4.467 1.00 0.00 C ATOM 0 H ILE A 29 -3.048 1.693 5.773 1.00 0.00 H new ATOM 0 HA ILE A 29 -1.822 -0.646 5.102 1.00 0.00 H new ATOM 0 HB ILE A 29 -1.615 1.036 7.646 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -1.218 2.619 6.044 1.00 0.00 H new ATOM 0 HG13 ILE A 29 0.405 2.029 6.339 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.712 0.250 7.758 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -0.459 -1.085 7.883 1.00 0.00 H new ATOM 0 HG23 ILE A 29 0.409 -0.802 6.355 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -0.005 2.308 3.951 1.00 0.00 H new ATOM 0 HD12 ILE A 29 0.261 0.592 4.344 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -1.387 1.191 4.044 1.00 0.00 H new ATOM 419 N ALA A 30 -3.722 -0.952 7.745 1.00 0.00 N ATOM 420 CA ALA A 30 -4.364 -1.907 8.627 1.00 0.00 C ATOM 421 C ALA A 30 -4.924 -3.082 7.828 1.00 0.00 C ATOM 422 O ALA A 30 -4.601 -4.232 8.102 1.00 0.00 O ATOM 423 CB ALA A 30 -5.463 -1.209 9.418 1.00 0.00 C ATOM 0 H ALA A 30 -4.091 -0.004 7.820 1.00 0.00 H new ATOM 0 HA ALA A 30 -3.627 -2.304 9.326 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -5.946 -1.927 10.081 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -5.029 -0.403 10.010 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -6.201 -0.797 8.730 1.00 0.00 H new ATOM 429 N LEU A 31 -5.716 -2.769 6.809 1.00 0.00 N ATOM 430 CA LEU A 31 -6.303 -3.779 5.922 1.00 0.00 C ATOM 431 C LEU A 31 -5.229 -4.406 5.079 1.00 0.00 C ATOM 432 O LEU A 31 -5.298 -5.567 4.702 1.00 0.00 O ATOM 433 CB LEU A 31 -7.328 -3.142 5.003 1.00 0.00 C ATOM 434 CG LEU A 31 -8.172 -2.125 5.711 1.00 0.00 C ATOM 435 CD1 LEU A 31 -8.753 -1.119 4.729 1.00 0.00 C ATOM 436 CD2 LEU A 31 -9.274 -2.797 6.516 1.00 0.00 C ATOM 0 H LEU A 31 -5.972 -1.811 6.571 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.785 -4.537 6.539 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.817 -2.667 4.166 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.971 -3.917 4.586 1.00 0.00 H new ATOM 0 HG LEU A 31 -7.530 -1.583 6.406 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -9.361 -0.393 5.269 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -7.942 -0.603 4.215 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -9.373 -1.639 3.999 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -9.872 -2.037 7.020 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -9.911 -3.376 5.848 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -8.830 -3.460 7.258 1.00 0.00 H new ATOM 448 N LEU A 32 -4.245 -3.603 4.773 1.00 0.00 N ATOM 449 CA LEU A 32 -3.149 -3.991 3.975 1.00 0.00 C ATOM 450 C LEU A 32 -2.339 -5.085 4.684 1.00 0.00 C ATOM 451 O LEU A 32 -1.958 -6.085 4.084 1.00 0.00 O ATOM 452 CB LEU A 32 -2.385 -2.708 3.769 1.00 0.00 C ATOM 453 CG LEU A 32 -1.290 -2.722 2.763 1.00 0.00 C ATOM 454 CD1 LEU A 32 -1.766 -3.139 1.397 1.00 0.00 C ATOM 455 CD2 LEU A 32 -0.678 -1.374 2.724 1.00 0.00 C ATOM 0 H LEU A 32 -4.197 -2.635 5.090 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.425 -4.435 3.019 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.097 -1.934 3.483 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.959 -2.411 4.727 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.550 -3.465 3.061 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.927 -3.132 0.701 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.186 -4.144 1.449 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.530 -2.444 1.050 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.129 -1.362 1.991 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.433 -0.639 2.444 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.279 -1.127 3.708 1.00 0.00 H new ATOM 467 N GLN A 33 -2.102 -4.910 5.974 1.00 0.00 N ATOM 468 CA GLN A 33 -1.396 -5.864 6.767 1.00 0.00 C ATOM 469 C GLN A 33 -2.283 -7.045 7.104 1.00 0.00 C ATOM 470 O GLN A 33 -1.869 -8.201 7.045 1.00 0.00 O ATOM 471 CB GLN A 33 -0.930 -5.144 8.010 1.00 0.00 C ATOM 472 CG GLN A 33 0.188 -4.188 7.678 1.00 0.00 C ATOM 473 CD GLN A 33 0.852 -3.535 8.872 1.00 0.00 C ATOM 474 OE1 GLN A 33 2.060 -3.305 8.861 1.00 0.00 O ATOM 475 NE2 GLN A 33 0.081 -3.190 9.883 1.00 0.00 N ATOM 0 H GLN A 33 -2.405 -4.086 6.493 1.00 0.00 H new ATOM 0 HA GLN A 33 -0.542 -6.269 6.224 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -1.762 -4.599 8.455 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -0.590 -5.868 8.751 1.00 0.00 H new ATOM 0 HG2 GLN A 33 0.947 -4.725 7.109 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -0.205 -3.406 7.028 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -0.917 -3.397 9.857 1.00 0.00 H new ATOM 0 HE22 GLN A 33 0.482 -2.716 10.692 1.00 0.00 H new ATOM 484 N ALA A 34 -3.514 -6.713 7.430 1.00 0.00 N ATOM 485 CA ALA A 34 -4.532 -7.667 7.796 1.00 0.00 C ATOM 486 C ALA A 34 -4.825 -8.659 6.674 1.00 0.00 C ATOM 487 O ALA A 34 -4.790 -9.873 6.870 1.00 0.00 O ATOM 488 CB ALA A 34 -5.788 -6.897 8.151 1.00 0.00 C ATOM 0 H ALA A 34 -3.840 -5.747 7.447 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.178 -8.251 8.645 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -6.576 -7.596 8.432 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -5.581 -6.228 8.986 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -6.112 -6.312 7.290 1.00 0.00 H new ATOM 494 N ASP A 35 -5.125 -8.123 5.505 1.00 0.00 N ATOM 495 CA ASP A 35 -5.589 -8.918 4.375 1.00 0.00 C ATOM 496 C ASP A 35 -4.501 -9.103 3.323 1.00 0.00 C ATOM 497 O ASP A 35 -4.297 -10.208 2.822 1.00 0.00 O ATOM 498 CB ASP A 35 -6.810 -8.245 3.739 1.00 0.00 C ATOM 499 CG ASP A 35 -7.393 -9.042 2.591 1.00 0.00 C ATOM 500 OD1 ASP A 35 -8.205 -9.953 2.853 1.00 0.00 O ATOM 501 OD2 ASP A 35 -7.060 -8.745 1.425 1.00 0.00 O ATOM 0 H ASP A 35 -5.055 -7.124 5.309 1.00 0.00 H new ATOM 0 HA ASP A 35 -5.858 -9.905 4.752 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -7.577 -8.101 4.500 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -6.527 -7.255 3.380 1.00 0.00 H new ATOM 506 N CYS A 36 -3.788 -8.028 3.004 1.00 0.00 N ATOM 507 CA CYS A 36 -2.826 -8.054 1.912 1.00 0.00 C ATOM 508 C CYS A 36 -1.486 -8.634 2.364 1.00 0.00 C ATOM 509 O CYS A 36 -0.592 -8.874 1.555 1.00 0.00 O ATOM 510 CB CYS A 36 -2.641 -6.643 1.356 1.00 0.00 C ATOM 511 SG CYS A 36 -4.199 -5.801 0.977 1.00 0.00 S ATOM 0 H CYS A 36 -3.859 -7.131 3.485 1.00 0.00 H new ATOM 0 HA CYS A 36 -3.214 -8.702 1.126 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -2.083 -6.048 2.078 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -2.036 -6.695 0.450 1.00 0.00 H new ATOM 0 HG CYS A 36 -4.622 -6.177 -0.193 1.00 0.00 H new ATOM 517 N GLY A 37 -1.352 -8.837 3.666 1.00 0.00 N ATOM 518 CA GLY A 37 -0.176 -9.502 4.197 1.00 0.00 C ATOM 519 C GLY A 37 0.968 -8.541 4.408 1.00 0.00 C ATOM 520 O GLY A 37 2.104 -8.951 4.652 1.00 0.00 O ATOM 0 H GLY A 37 -2.037 -8.553 4.367 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -0.426 -9.981 5.143 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.135 -10.291 3.512 1.00 0.00 H new ATOM 524 N PHE A 38 0.664 -7.260 4.284 1.00 0.00 N ATOM 525 CA PHE A 38 1.591 -6.199 4.559 1.00 0.00 C ATOM 526 C PHE A 38 2.247 -6.361 5.914 1.00 0.00 C ATOM 527 O PHE A 38 1.622 -6.773 6.890 1.00 0.00 O ATOM 528 CB PHE A 38 0.834 -4.892 4.516 1.00 0.00 C ATOM 529 CG PHE A 38 1.681 -3.684 4.400 1.00 0.00 C ATOM 530 CD1 PHE A 38 2.867 -3.819 3.828 1.00 0.00 C ATOM 531 CD2 PHE A 38 1.321 -2.453 4.889 1.00 0.00 C ATOM 532 CE1 PHE A 38 3.723 -2.823 3.675 1.00 0.00 C ATOM 533 CE2 PHE A 38 2.187 -1.396 4.737 1.00 0.00 C ATOM 534 CZ PHE A 38 3.403 -1.613 4.115 1.00 0.00 C ATOM 0 H PHE A 38 -0.254 -6.932 3.983 1.00 0.00 H new ATOM 0 HA PHE A 38 2.383 -6.220 3.810 1.00 0.00 H new ATOM 0 HB2 PHE A 38 0.144 -4.916 3.673 1.00 0.00 H new ATOM 0 HB3 PHE A 38 0.230 -4.809 5.420 1.00 0.00 H new ATOM 0 HD1 PHE A 38 3.151 -4.796 3.466 1.00 0.00 H new ATOM 0 HD2 PHE A 38 0.372 -2.317 5.386 1.00 0.00 H new ATOM 0 HE1 PHE A 38 4.676 -2.993 3.195 1.00 0.00 H new ATOM 0 HE2 PHE A 38 1.922 -0.413 5.097 1.00 0.00 H new ATOM 0 HZ PHE A 38 4.095 -0.794 3.987 1.00 0.00 H new ATOM 544 N ASP A 39 3.520 -6.059 5.940 1.00 0.00 N ATOM 545 CA ASP A 39 4.283 -6.052 7.142 1.00 0.00 C ATOM 546 C ASP A 39 5.426 -5.101 6.926 1.00 0.00 C ATOM 547 O ASP A 39 6.455 -5.485 6.405 1.00 0.00 O ATOM 548 CB ASP A 39 4.817 -7.427 7.499 1.00 0.00 C ATOM 549 CG ASP A 39 5.152 -7.539 8.973 1.00 0.00 C ATOM 550 OD1 ASP A 39 5.239 -6.489 9.649 1.00 0.00 O ATOM 551 OD2 ASP A 39 5.333 -8.671 9.464 1.00 0.00 O ATOM 0 H ASP A 39 4.055 -5.808 5.109 1.00 0.00 H new ATOM 0 HA ASP A 39 3.647 -5.745 7.972 1.00 0.00 H new ATOM 0 HB2 ASP A 39 4.077 -8.183 7.237 1.00 0.00 H new ATOM 0 HB3 ASP A 39 5.709 -7.635 6.907 1.00 0.00 H new ATOM 556 N LYS A 40 5.239 -3.873 7.315 1.00 0.00 N ATOM 557 CA LYS A 40 6.208 -2.828 7.111 1.00 0.00 C ATOM 558 C LYS A 40 7.571 -3.183 7.711 1.00 0.00 C ATOM 559 O LYS A 40 8.603 -2.654 7.297 1.00 0.00 O ATOM 560 CB LYS A 40 5.694 -1.604 7.830 1.00 0.00 C ATOM 561 CG LYS A 40 4.208 -1.401 7.655 1.00 0.00 C ATOM 562 CD LYS A 40 3.939 -0.157 6.907 1.00 0.00 C ATOM 563 CE LYS A 40 4.314 1.129 7.650 1.00 0.00 C ATOM 564 NZ LYS A 40 5.782 1.289 7.869 1.00 0.00 N ATOM 0 H LYS A 40 4.393 -3.561 7.792 1.00 0.00 H new ATOM 0 HA LYS A 40 6.339 -2.672 6.040 1.00 0.00 H new ATOM 0 HB2 LYS A 40 5.921 -1.691 8.893 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.222 -0.724 7.462 1.00 0.00 H new ATOM 0 HG2 LYS A 40 3.779 -2.251 7.124 1.00 0.00 H new ATOM 0 HG3 LYS A 40 3.724 -1.357 8.631 1.00 0.00 H new ATOM 0 HD2 LYS A 40 4.487 -0.189 5.965 1.00 0.00 H new ATOM 0 HD3 LYS A 40 2.878 -0.121 6.658 1.00 0.00 H new ATOM 0 HE2 LYS A 40 3.944 1.985 7.086 1.00 0.00 H new ATOM 0 HE3 LYS A 40 3.808 1.141 8.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 5.994 2.283 8.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 6.082 0.687 8.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 6.294 1.009 7.008 1.00 0.00 H new ATOM 578 N THR A 41 7.558 -4.099 8.673 1.00 0.00 N ATOM 579 CA THR A 41 8.737 -4.434 9.461 1.00 0.00 C ATOM 580 C THR A 41 9.711 -5.207 8.606 1.00 0.00 C ATOM 581 O THR A 41 10.920 -5.225 8.853 1.00 0.00 O ATOM 582 CB THR A 41 8.361 -5.275 10.687 1.00 0.00 C ATOM 583 OG1 THR A 41 7.736 -6.498 10.272 1.00 0.00 O ATOM 584 CG2 THR A 41 7.426 -4.505 11.604 1.00 0.00 C ATOM 0 H THR A 41 6.726 -4.631 8.929 1.00 0.00 H new ATOM 0 HA THR A 41 9.194 -3.506 9.805 1.00 0.00 H new ATOM 0 HB THR A 41 9.274 -5.505 11.237 1.00 0.00 H new ATOM 0 HG1 THR A 41 6.766 -6.427 10.394 1.00 0.00 H new ATOM 0 HG21 THR A 41 7.173 -5.122 12.467 1.00 0.00 H new ATOM 0 HG22 THR A 41 7.917 -3.593 11.942 1.00 0.00 H new ATOM 0 HG23 THR A 41 6.516 -4.248 11.063 1.00 0.00 H new ATOM 592 N LYS A 42 9.163 -5.828 7.582 1.00 0.00 N ATOM 593 CA LYS A 42 9.927 -6.340 6.518 1.00 0.00 C ATOM 594 C LYS A 42 8.928 -6.425 5.420 1.00 0.00 C ATOM 595 O LYS A 42 8.145 -7.332 5.268 1.00 0.00 O ATOM 596 CB LYS A 42 10.486 -7.706 6.905 1.00 0.00 C ATOM 597 CG LYS A 42 9.378 -8.710 6.948 1.00 0.00 C ATOM 598 CD LYS A 42 9.650 -9.961 7.739 1.00 0.00 C ATOM 599 CE LYS A 42 8.323 -10.571 8.161 1.00 0.00 C ATOM 600 NZ LYS A 42 7.823 -9.989 9.435 1.00 0.00 N ATOM 0 H LYS A 42 8.159 -5.981 7.486 1.00 0.00 H new ATOM 0 HA LYS A 42 10.793 -5.739 6.241 1.00 0.00 H new ATOM 0 HB2 LYS A 42 11.244 -8.017 6.186 1.00 0.00 H new ATOM 0 HB3 LYS A 42 10.975 -7.647 7.878 1.00 0.00 H new ATOM 0 HG2 LYS A 42 8.493 -8.227 7.363 1.00 0.00 H new ATOM 0 HG3 LYS A 42 9.135 -8.997 5.925 1.00 0.00 H new ATOM 0 HD2 LYS A 42 10.218 -10.671 7.138 1.00 0.00 H new ATOM 0 HD3 LYS A 42 10.255 -9.729 8.616 1.00 0.00 H new ATOM 0 HE2 LYS A 42 7.585 -10.412 7.375 1.00 0.00 H new ATOM 0 HE3 LYS A 42 8.439 -11.649 8.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 7.742 -10.739 10.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 8.488 -9.262 9.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 6.890 -9.558 9.277 1.00 0.00 H new ATOM 614 N HIS A 43 8.918 -5.355 4.759 1.00 0.00 N ATOM 615 CA HIS A 43 8.365 -5.174 3.487 1.00 0.00 C ATOM 616 C HIS A 43 8.776 -3.865 2.972 1.00 0.00 C ATOM 617 O HIS A 43 9.339 -3.027 3.679 1.00 0.00 O ATOM 618 CB HIS A 43 6.872 -5.189 3.500 1.00 0.00 C ATOM 619 CG HIS A 43 6.359 -6.541 3.430 1.00 0.00 C ATOM 620 ND1 HIS A 43 5.181 -6.896 3.967 1.00 0.00 N ATOM 621 CD2 HIS A 43 6.958 -7.650 2.997 1.00 0.00 C ATOM 622 CE1 HIS A 43 5.044 -8.176 3.906 1.00 0.00 C ATOM 623 NE2 HIS A 43 6.109 -8.688 3.308 1.00 0.00 N ATOM 0 H HIS A 43 9.335 -4.498 5.124 1.00 0.00 H new ATOM 0 HA HIS A 43 8.719 -5.998 2.868 1.00 0.00 H new ATOM 0 HB2 HIS A 43 6.509 -4.707 4.408 1.00 0.00 H new ATOM 0 HB3 HIS A 43 6.493 -4.610 2.658 1.00 0.00 H new ATOM 0 HD2 HIS A 43 7.915 -7.720 2.502 1.00 0.00 H new ATOM 0 HE1 HIS A 43 4.201 -8.738 4.280 1.00 0.00 H new ATOM 0 HE2 HIS A 43 6.271 -9.676 3.113 1.00 0.00 H new ATOM 632 N ASP A 44 8.430 -3.697 1.759 1.00 0.00 N ATOM 633 CA ASP A 44 8.381 -2.428 1.178 1.00 0.00 C ATOM 634 C ASP A 44 7.083 -2.333 0.452 1.00 0.00 C ATOM 635 O ASP A 44 6.766 -3.163 -0.338 1.00 0.00 O ATOM 636 CB ASP A 44 9.517 -2.190 0.188 1.00 0.00 C ATOM 637 CG ASP A 44 10.868 -2.724 0.635 1.00 0.00 C ATOM 638 OD1 ASP A 44 11.340 -2.334 1.724 1.00 0.00 O ATOM 639 OD2 ASP A 44 11.475 -3.519 -0.111 1.00 0.00 O ATOM 0 H ASP A 44 8.168 -4.457 1.132 1.00 0.00 H new ATOM 0 HA ASP A 44 8.480 -1.678 1.962 1.00 0.00 H new ATOM 0 HB2 ASP A 44 9.255 -2.653 -0.764 1.00 0.00 H new ATOM 0 HB3 ASP A 44 9.606 -1.119 0.008 1.00 0.00 H new ATOM 644 N LEU A 45 6.346 -1.324 0.686 1.00 0.00 N ATOM 645 CA LEU A 45 5.165 -1.126 0.031 1.00 0.00 C ATOM 646 C LEU A 45 5.356 -0.134 -1.111 1.00 0.00 C ATOM 647 O LEU A 45 5.848 0.970 -0.917 1.00 0.00 O ATOM 648 CB LEU A 45 4.240 -0.651 1.090 1.00 0.00 C ATOM 649 CG LEU A 45 3.044 -0.024 0.558 1.00 0.00 C ATOM 650 CD1 LEU A 45 2.466 -0.890 -0.505 1.00 0.00 C ATOM 651 CD2 LEU A 45 2.036 0.102 1.602 1.00 0.00 C ATOM 0 H LEU A 45 6.575 -0.600 1.367 1.00 0.00 H new ATOM 0 HA LEU A 45 4.767 -2.020 -0.450 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.953 -1.494 1.719 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.763 0.060 1.729 1.00 0.00 H new ATOM 0 HG LEU A 45 3.315 0.957 0.168 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.567 -0.422 -0.907 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.195 -1.021 -1.304 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.211 -1.862 -0.084 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.143 0.574 1.191 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.781 -0.887 1.983 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.428 0.714 2.414 1.00 0.00 H new ATOM 663 N TYR A 46 4.975 -0.540 -2.306 1.00 0.00 N ATOM 664 CA TYR A 46 5.184 0.296 -3.470 1.00 0.00 C ATOM 665 C TYR A 46 3.924 1.046 -3.799 1.00 0.00 C ATOM 666 O TYR A 46 2.810 0.536 -3.718 1.00 0.00 O ATOM 667 CB TYR A 46 5.677 -0.469 -4.723 1.00 0.00 C ATOM 668 CG TYR A 46 7.072 -0.917 -4.618 1.00 0.00 C ATOM 669 CD1 TYR A 46 7.422 -1.279 -3.439 1.00 0.00 C ATOM 670 CD2 TYR A 46 7.994 -0.946 -5.644 1.00 0.00 C ATOM 671 CE1 TYR A 46 8.645 -1.674 -3.112 1.00 0.00 C ATOM 672 CE2 TYR A 46 9.287 -1.357 -5.378 1.00 0.00 C ATOM 673 CZ TYR A 46 9.616 -1.721 -4.086 1.00 0.00 C ATOM 674 OH TYR A 46 10.896 -2.121 -3.779 1.00 0.00 O ATOM 0 H TYR A 46 4.523 -1.435 -2.495 1.00 0.00 H new ATOM 0 HA TYR A 46 5.984 0.985 -3.200 1.00 0.00 H new ATOM 0 HB2 TYR A 46 5.036 -1.335 -4.887 1.00 0.00 H new ATOM 0 HB3 TYR A 46 5.574 0.174 -5.597 1.00 0.00 H new ATOM 0 HD1 TYR A 46 6.672 -1.261 -2.662 1.00 0.00 H new ATOM 0 HD2 TYR A 46 7.709 -0.651 -6.643 1.00 0.00 H new ATOM 0 HE1 TYR A 46 8.876 -1.955 -2.095 1.00 0.00 H new ATOM 0 HE2 TYR A 46 10.026 -1.393 -6.165 1.00 0.00 H new ATOM 0 HH TYR A 46 11.450 -2.095 -4.587 1.00 0.00 H new ATOM 684 N TYR A 47 4.158 2.264 -4.151 1.00 0.00 N ATOM 685 CA TYR A 47 3.157 3.247 -4.345 1.00 0.00 C ATOM 686 C TYR A 47 3.539 4.255 -5.428 1.00 0.00 C ATOM 687 O TYR A 47 4.558 4.928 -5.307 1.00 0.00 O ATOM 688 CB TYR A 47 3.004 3.955 -3.030 1.00 0.00 C ATOM 689 CG TYR A 47 2.114 5.034 -3.165 1.00 0.00 C ATOM 690 CD1 TYR A 47 0.955 4.664 -3.643 1.00 0.00 C ATOM 691 CD2 TYR A 47 2.348 6.340 -2.785 1.00 0.00 C ATOM 692 CE1 TYR A 47 -0.013 5.510 -3.790 1.00 0.00 C ATOM 693 CE2 TYR A 47 1.349 7.266 -2.947 1.00 0.00 C ATOM 694 CZ TYR A 47 0.144 6.837 -3.456 1.00 0.00 C ATOM 695 OH TYR A 47 -0.894 7.721 -3.625 1.00 0.00 O ATOM 0 H TYR A 47 5.101 2.615 -4.319 1.00 0.00 H new ATOM 0 HA TYR A 47 2.232 2.774 -4.674 1.00 0.00 H new ATOM 0 HB2 TYR A 47 2.635 3.261 -2.275 1.00 0.00 H new ATOM 0 HB3 TYR A 47 3.974 4.314 -2.686 1.00 0.00 H new ATOM 0 HD1 TYR A 47 0.802 3.632 -3.921 1.00 0.00 H new ATOM 0 HD2 TYR A 47 3.301 6.628 -2.367 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -0.960 5.170 -4.181 1.00 0.00 H new ATOM 0 HE2 TYR A 47 1.503 8.302 -2.683 1.00 0.00 H new ATOM 0 HH TYR A 47 -1.481 7.403 -4.343 1.00 0.00 H new ATOM 705 N ASN A 48 2.686 4.378 -6.456 1.00 0.00 N ATOM 706 CA ASN A 48 2.816 5.378 -7.500 1.00 0.00 C ATOM 707 C ASN A 48 4.109 5.236 -8.255 1.00 0.00 C ATOM 708 O ASN A 48 4.161 4.679 -9.350 1.00 0.00 O ATOM 709 CB ASN A 48 2.710 6.771 -6.904 1.00 0.00 C ATOM 710 CG ASN A 48 1.278 7.254 -6.743 1.00 0.00 C ATOM 711 OD1 ASN A 48 0.347 6.324 -6.642 1.00 0.00 O flip ATOM 712 ND2 ASN A 48 1.013 8.460 -6.741 1.00 0.00 N flip ATOM 0 H ASN A 48 1.876 3.770 -6.578 1.00 0.00 H new ATOM 0 HA ASN A 48 2.002 5.223 -8.208 1.00 0.00 H new ATOM 0 HB2 ASN A 48 3.199 6.779 -5.930 1.00 0.00 H new ATOM 0 HB3 ASN A 48 3.252 7.472 -7.539 1.00 0.00 H new ATOM 0 HD21 ASN A 48 1.763 9.147 -6.821 1.00 0.00 H new ATOM 0 HD22 ASN A 48 0.044 8.769 -6.659 1.00 0.00 H new ATOM 719 N MET A 49 5.150 5.739 -7.651 1.00 0.00 N ATOM 720 CA MET A 49 6.445 5.713 -8.242 1.00 0.00 C ATOM 721 C MET A 49 7.390 4.929 -7.351 1.00 0.00 C ATOM 722 O MET A 49 8.442 5.414 -6.931 1.00 0.00 O ATOM 723 CB MET A 49 6.921 7.133 -8.502 1.00 0.00 C ATOM 724 CG MET A 49 5.886 7.926 -9.279 1.00 0.00 C ATOM 725 SD MET A 49 6.274 9.682 -9.412 1.00 0.00 S ATOM 726 CE MET A 49 7.807 9.628 -10.342 1.00 0.00 C ATOM 0 H MET A 49 5.116 6.179 -6.731 1.00 0.00 H new ATOM 0 HA MET A 49 6.414 5.207 -9.207 1.00 0.00 H new ATOM 0 HB2 MET A 49 7.127 7.630 -7.554 1.00 0.00 H new ATOM 0 HB3 MET A 49 7.858 7.109 -9.059 1.00 0.00 H new ATOM 0 HG2 MET A 49 5.795 7.506 -10.281 1.00 0.00 H new ATOM 0 HG3 MET A 49 4.915 7.812 -8.796 1.00 0.00 H new ATOM 0 HE1 MET A 49 8.078 10.636 -10.656 1.00 0.00 H new ATOM 0 HE2 MET A 49 8.599 9.218 -9.715 1.00 0.00 H new ATOM 0 HE3 MET A 49 7.677 8.997 -11.221 1.00 0.00 H new ATOM 736 N ASP A 50 6.888 3.746 -7.014 1.00 0.00 N ATOM 737 CA ASP A 50 7.628 2.714 -6.317 1.00 0.00 C ATOM 738 C ASP A 50 7.612 2.987 -4.820 1.00 0.00 C ATOM 739 O ASP A 50 6.859 3.836 -4.352 1.00 0.00 O ATOM 740 CB ASP A 50 9.007 2.716 -6.948 1.00 0.00 C ATOM 741 CG ASP A 50 9.985 1.640 -6.493 1.00 0.00 C ATOM 742 OD1 ASP A 50 10.577 1.774 -5.402 1.00 0.00 O ATOM 743 OD2 ASP A 50 10.199 0.672 -7.246 1.00 0.00 O ATOM 0 H ASP A 50 5.928 3.476 -7.227 1.00 0.00 H new ATOM 0 HA ASP A 50 7.195 1.718 -6.413 1.00 0.00 H new ATOM 0 HB2 ASP A 50 8.884 2.626 -8.027 1.00 0.00 H new ATOM 0 HB3 ASP A 50 9.463 3.688 -6.759 1.00 0.00 H new ATOM 748 N ILE A 51 8.387 2.240 -4.079 1.00 0.00 N ATOM 749 CA ILE A 51 8.487 2.374 -2.663 1.00 0.00 C ATOM 750 C ILE A 51 8.708 3.775 -2.184 1.00 0.00 C ATOM 751 O ILE A 51 9.449 4.597 -2.738 1.00 0.00 O ATOM 752 CB ILE A 51 9.614 1.468 -2.182 1.00 0.00 C ATOM 753 CG1 ILE A 51 9.085 0.527 -1.160 1.00 0.00 C ATOM 754 CG2 ILE A 51 10.826 2.205 -1.662 1.00 0.00 C ATOM 755 CD1 ILE A 51 8.620 1.181 0.115 1.00 0.00 C ATOM 0 H ILE A 51 8.980 1.503 -4.461 1.00 0.00 H new ATOM 0 HA ILE A 51 7.525 2.083 -2.242 1.00 0.00 H new ATOM 0 HB ILE A 51 9.971 0.921 -3.054 1.00 0.00 H new ATOM 0 HG12 ILE A 51 8.252 -0.028 -1.593 1.00 0.00 H new ATOM 0 HG13 ILE A 51 9.861 -0.199 -0.918 1.00 0.00 H new ATOM 0 HG21 ILE A 51 11.579 1.486 -1.341 1.00 0.00 H new ATOM 0 HG22 ILE A 51 11.237 2.832 -2.453 1.00 0.00 H new ATOM 0 HG23 ILE A 51 10.537 2.830 -0.817 1.00 0.00 H new ATOM 0 HD11 ILE A 51 8.251 0.419 0.801 1.00 0.00 H new ATOM 0 HD12 ILE A 51 9.453 1.712 0.576 1.00 0.00 H new ATOM 0 HD13 ILE A 51 7.819 1.886 -0.109 1.00 0.00 H new ATOM 767 N LEU A 52 7.962 3.996 -1.156 1.00 0.00 N ATOM 768 CA LEU A 52 8.040 5.168 -0.337 1.00 0.00 C ATOM 769 C LEU A 52 9.303 5.147 0.503 1.00 0.00 C ATOM 770 O LEU A 52 10.084 4.200 0.453 1.00 0.00 O ATOM 771 CB LEU A 52 6.865 5.165 0.603 1.00 0.00 C ATOM 772 CG LEU A 52 5.510 5.039 -0.004 1.00 0.00 C ATOM 773 CD1 LEU A 52 5.476 5.580 -1.407 1.00 0.00 C ATOM 774 CD2 LEU A 52 5.006 3.610 0.047 1.00 0.00 C ATOM 0 H LEU A 52 7.247 3.338 -0.845 1.00 0.00 H new ATOM 0 HA LEU A 52 8.043 6.050 -0.978 1.00 0.00 H new ATOM 0 HB2 LEU A 52 6.998 4.344 1.308 1.00 0.00 H new ATOM 0 HB3 LEU A 52 6.892 6.089 1.181 1.00 0.00 H new ATOM 0 HG LEU A 52 4.833 5.647 0.596 1.00 0.00 H new ATOM 0 HD11 LEU A 52 4.471 5.470 -1.815 1.00 0.00 H new ATOM 0 HD12 LEU A 52 5.750 6.635 -1.397 1.00 0.00 H new ATOM 0 HD13 LEU A 52 6.182 5.028 -2.027 1.00 0.00 H new ATOM 0 HD21 LEU A 52 4.015 3.557 -0.405 1.00 0.00 H new ATOM 0 HD22 LEU A 52 5.690 2.963 -0.502 1.00 0.00 H new ATOM 0 HD23 LEU A 52 4.950 3.281 1.085 1.00 0.00 H new ATOM 786 N ASP A 53 9.494 6.180 1.297 1.00 0.00 N ATOM 787 CA ASP A 53 10.543 6.204 2.243 1.00 0.00 C ATOM 788 C ASP A 53 10.023 6.758 3.550 1.00 0.00 C ATOM 789 O ASP A 53 8.834 7.067 3.653 1.00 0.00 O ATOM 790 CB ASP A 53 11.663 7.069 1.728 1.00 0.00 C ATOM 791 CG ASP A 53 11.201 8.295 0.979 1.00 0.00 C ATOM 792 OD1 ASP A 53 10.870 9.295 1.641 1.00 0.00 O ATOM 793 OD2 ASP A 53 11.191 8.274 -0.271 1.00 0.00 O ATOM 0 H ASP A 53 8.914 7.019 1.289 1.00 0.00 H new ATOM 0 HA ASP A 53 10.918 5.193 2.404 1.00 0.00 H new ATOM 0 HB2 ASP A 53 12.282 7.382 2.569 1.00 0.00 H new ATOM 0 HB3 ASP A 53 12.296 6.472 1.071 1.00 0.00 H new ATOM 798 N SER A 54 10.899 6.899 4.533 1.00 0.00 N ATOM 799 CA SER A 54 10.514 7.456 5.818 1.00 0.00 C ATOM 800 C SER A 54 9.889 8.840 5.632 1.00 0.00 C ATOM 801 O SER A 54 8.909 9.190 6.294 1.00 0.00 O ATOM 802 CB SER A 54 11.737 7.543 6.731 1.00 0.00 C ATOM 803 OG SER A 54 12.400 6.289 6.820 1.00 0.00 O ATOM 0 H SER A 54 11.882 6.635 4.464 1.00 0.00 H new ATOM 0 HA SER A 54 9.773 6.804 6.280 1.00 0.00 H new ATOM 0 HB2 SER A 54 12.427 8.296 6.349 1.00 0.00 H new ATOM 0 HB3 SER A 54 11.430 7.867 7.725 1.00 0.00 H new ATOM 0 HG SER A 54 13.179 6.372 7.408 1.00 0.00 H new ATOM 809 N ASN A 55 10.441 9.605 4.691 1.00 0.00 N ATOM 810 CA ASN A 55 9.990 10.963 4.455 1.00 0.00 C ATOM 811 C ASN A 55 8.656 10.952 3.748 1.00 0.00 C ATOM 812 O ASN A 55 7.746 11.702 4.097 1.00 0.00 O ATOM 813 CB ASN A 55 10.995 11.747 3.612 1.00 0.00 C ATOM 814 CG ASN A 55 12.433 11.427 3.949 1.00 0.00 C ATOM 815 OD1 ASN A 55 13.018 12.005 4.866 1.00 0.00 O ATOM 816 ND2 ASN A 55 13.011 10.503 3.200 1.00 0.00 N ATOM 0 H ASN A 55 11.201 9.301 4.083 1.00 0.00 H new ATOM 0 HA ASN A 55 9.894 11.450 5.425 1.00 0.00 H new ATOM 0 HB2 ASN A 55 10.820 11.534 2.558 1.00 0.00 H new ATOM 0 HB3 ASN A 55 10.824 12.814 3.754 1.00 0.00 H new ATOM 0 HD21 ASN A 55 13.982 10.242 3.371 1.00 0.00 H new ATOM 0 HD22 ASN A 55 12.486 10.051 2.451 1.00 0.00 H new ATOM 823 N ARG A 56 8.541 10.096 2.749 1.00 0.00 N ATOM 824 CA ARG A 56 7.367 10.065 1.934 1.00 0.00 C ATOM 825 C ARG A 56 6.311 9.085 2.410 1.00 0.00 C ATOM 826 O ARG A 56 5.555 8.459 1.667 1.00 0.00 O ATOM 827 CB ARG A 56 7.745 9.906 0.532 1.00 0.00 C ATOM 828 CG ARG A 56 7.750 8.515 0.066 1.00 0.00 C ATOM 829 CD ARG A 56 8.203 8.398 -1.378 1.00 0.00 C ATOM 830 NE ARG A 56 7.355 9.170 -2.288 1.00 0.00 N ATOM 831 CZ ARG A 56 7.655 9.405 -3.564 1.00 0.00 C ATOM 832 NH1 ARG A 56 8.784 8.936 -4.080 1.00 0.00 N ATOM 833 NH2 ARG A 56 6.832 10.116 -4.326 1.00 0.00 N ATOM 0 H ARG A 56 9.256 9.415 2.492 1.00 0.00 H new ATOM 0 HA ARG A 56 6.863 11.026 2.034 1.00 0.00 H new ATOM 0 HB2 ARG A 56 7.057 10.482 -0.086 1.00 0.00 H new ATOM 0 HB3 ARG A 56 8.738 10.331 0.384 1.00 0.00 H new ATOM 0 HG2 ARG A 56 8.409 7.923 0.701 1.00 0.00 H new ATOM 0 HG3 ARG A 56 6.749 8.096 0.166 1.00 0.00 H new ATOM 0 HD2 ARG A 56 9.233 8.744 -1.463 1.00 0.00 H new ATOM 0 HD3 ARG A 56 8.193 7.350 -1.676 1.00 0.00 H new ATOM 0 HE ARG A 56 6.482 9.551 -1.923 1.00 0.00 H new ATOM 0 HH11 ARG A 56 9.424 8.394 -3.499 1.00 0.00 H new ATOM 0 HH12 ARG A 56 9.012 9.117 -5.058 1.00 0.00 H new ATOM 0 HH21 ARG A 56 5.965 10.485 -3.935 1.00 0.00 H new ATOM 0 HH22 ARG A 56 7.066 10.293 -5.303 1.00 0.00 H new ATOM 847 N THR A 57 6.237 9.075 3.684 1.00 0.00 N ATOM 848 CA THR A 57 5.223 8.374 4.419 1.00 0.00 C ATOM 849 C THR A 57 4.186 9.374 4.886 1.00 0.00 C ATOM 850 O THR A 57 4.222 9.884 6.008 1.00 0.00 O ATOM 851 CB THR A 57 5.764 7.612 5.636 1.00 0.00 C ATOM 852 OG1 THR A 57 6.685 6.591 5.218 1.00 0.00 O ATOM 853 CG2 THR A 57 4.597 6.996 6.391 1.00 0.00 C ATOM 0 H THR A 57 6.900 9.570 4.280 1.00 0.00 H new ATOM 0 HA THR A 57 4.796 7.630 3.747 1.00 0.00 H new ATOM 0 HB THR A 57 6.298 8.301 6.290 1.00 0.00 H new ATOM 0 HG1 THR A 57 7.383 6.990 4.657 1.00 0.00 H new ATOM 0 HG21 THR A 57 4.971 6.452 7.258 1.00 0.00 H new ATOM 0 HG22 THR A 57 3.921 7.784 6.721 1.00 0.00 H new ATOM 0 HG23 THR A 57 4.061 6.309 5.735 1.00 0.00 H new ATOM 861 N GLN A 58 3.307 9.691 3.986 1.00 0.00 N ATOM 862 CA GLN A 58 2.211 10.526 4.260 1.00 0.00 C ATOM 863 C GLN A 58 0.946 9.752 3.989 1.00 0.00 C ATOM 864 O GLN A 58 0.968 8.655 3.443 1.00 0.00 O ATOM 865 CB GLN A 58 2.267 11.823 3.457 1.00 0.00 C ATOM 866 CG GLN A 58 2.770 11.651 2.038 1.00 0.00 C ATOM 867 CD GLN A 58 4.211 12.095 1.854 1.00 0.00 C ATOM 868 OE1 GLN A 58 5.012 12.006 2.908 1.00 0.00 O flip ATOM 869 NE2 GLN A 58 4.601 12.526 0.767 1.00 0.00 N flip ATOM 0 H GLN A 58 3.345 9.361 3.022 1.00 0.00 H new ATOM 0 HA GLN A 58 2.237 10.826 5.308 1.00 0.00 H new ATOM 0 HB2 GLN A 58 1.270 12.262 3.427 1.00 0.00 H new ATOM 0 HB3 GLN A 58 2.912 12.532 3.976 1.00 0.00 H new ATOM 0 HG2 GLN A 58 2.681 10.603 1.753 1.00 0.00 H new ATOM 0 HG3 GLN A 58 2.132 12.221 1.362 1.00 0.00 H new ATOM 0 HE21 GLN A 58 3.956 12.580 -0.021 1.00 0.00 H new ATOM 0 HE22 GLN A 58 5.569 12.829 0.656 1.00 0.00 H new ATOM 878 N SER A 59 -0.118 10.341 4.387 1.00 0.00 N ATOM 879 CA SER A 59 -1.415 9.724 4.455 1.00 0.00 C ATOM 880 C SER A 59 -2.022 9.482 3.085 1.00 0.00 C ATOM 881 O SER A 59 -1.471 9.890 2.075 1.00 0.00 O ATOM 882 CB SER A 59 -2.307 10.676 5.208 1.00 0.00 C ATOM 883 OG SER A 59 -1.537 11.676 5.847 1.00 0.00 O ATOM 0 H SER A 59 -0.123 11.314 4.692 1.00 0.00 H new ATOM 0 HA SER A 59 -1.318 8.753 4.940 1.00 0.00 H new ATOM 0 HB2 SER A 59 -3.017 11.138 4.522 1.00 0.00 H new ATOM 0 HB3 SER A 59 -2.890 10.129 5.949 1.00 0.00 H new ATOM 0 HG SER A 59 -1.827 11.767 6.779 1.00 0.00 H new ATOM 889 N LEU A 60 -3.186 8.852 3.083 1.00 0.00 N ATOM 890 CA LEU A 60 -4.000 8.714 1.879 1.00 0.00 C ATOM 891 C LEU A 60 -4.085 10.020 1.104 1.00 0.00 C ATOM 892 O LEU A 60 -3.775 10.083 -0.090 1.00 0.00 O ATOM 893 CB LEU A 60 -5.418 8.370 2.303 1.00 0.00 C ATOM 894 CG LEU A 60 -5.558 7.157 3.201 1.00 0.00 C ATOM 895 CD1 LEU A 60 -6.873 7.182 3.904 1.00 0.00 C ATOM 896 CD2 LEU A 60 -5.476 5.928 2.380 1.00 0.00 C ATOM 0 H LEU A 60 -3.595 8.422 3.912 1.00 0.00 H new ATOM 0 HA LEU A 60 -3.545 7.947 1.252 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -5.843 9.232 2.818 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -6.016 8.207 1.407 1.00 0.00 H new ATOM 0 HG LEU A 60 -4.756 7.171 3.939 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -6.959 6.305 4.545 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -6.944 8.084 4.512 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -7.678 7.175 3.170 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.576 5.054 3.023 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.278 5.929 1.642 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -4.513 5.895 1.870 1.00 0.00 H new ATOM 908 N LYS A 61 -4.485 11.061 1.809 1.00 0.00 N ATOM 909 CA LYS A 61 -4.694 12.350 1.199 1.00 0.00 C ATOM 910 C LYS A 61 -3.388 13.012 0.767 1.00 0.00 C ATOM 911 O LYS A 61 -3.371 13.809 -0.166 1.00 0.00 O ATOM 912 CB LYS A 61 -5.600 13.249 2.043 1.00 0.00 C ATOM 913 CG LYS A 61 -4.847 14.111 2.972 1.00 0.00 C ATOM 914 CD LYS A 61 -3.926 13.267 3.782 1.00 0.00 C ATOM 915 CE LYS A 61 -3.865 13.688 5.250 1.00 0.00 C ATOM 916 NZ LYS A 61 -3.383 15.087 5.434 1.00 0.00 N ATOM 0 H LYS A 61 -4.671 11.033 2.811 1.00 0.00 H new ATOM 0 HA LYS A 61 -5.241 12.180 0.272 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.201 13.873 1.382 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -6.292 12.628 2.612 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -4.281 14.859 2.416 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -5.534 14.651 3.624 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -4.247 12.227 3.721 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -2.925 13.317 3.354 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -4.856 13.590 5.692 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -3.206 13.008 5.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -2.708 15.121 6.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -2.913 15.410 4.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -4.191 15.708 5.642 1.00 0.00 H new ATOM 930 N GLU A 62 -2.291 12.674 1.427 1.00 0.00 N ATOM 931 CA GLU A 62 -1.010 13.269 1.087 1.00 0.00 C ATOM 932 C GLU A 62 -0.292 12.483 0.004 1.00 0.00 C ATOM 933 O GLU A 62 0.455 13.051 -0.791 1.00 0.00 O ATOM 934 CB GLU A 62 -0.143 13.400 2.310 1.00 0.00 C ATOM 935 CG GLU A 62 -0.819 14.162 3.418 1.00 0.00 C ATOM 936 CD GLU A 62 0.136 14.621 4.497 1.00 0.00 C ATOM 937 OE1 GLU A 62 1.164 15.240 4.165 1.00 0.00 O ATOM 938 OE2 GLU A 62 -0.141 14.366 5.680 1.00 0.00 O ATOM 0 H GLU A 62 -2.262 11.999 2.192 1.00 0.00 H new ATOM 0 HA GLU A 62 -1.208 14.265 0.691 1.00 0.00 H new ATOM 0 HB2 GLU A 62 0.126 12.406 2.669 1.00 0.00 H new ATOM 0 HB3 GLU A 62 0.785 13.904 2.041 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -1.325 15.031 2.996 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -1.588 13.532 3.866 1.00 0.00 H new ATOM 945 N LEU A 63 -0.504 11.171 -0.002 1.00 0.00 N ATOM 946 CA LEU A 63 0.115 10.310 -1.005 1.00 0.00 C ATOM 947 C LEU A 63 -0.360 10.684 -2.387 1.00 0.00 C ATOM 948 O LEU A 63 0.426 10.761 -3.332 1.00 0.00 O ATOM 949 CB LEU A 63 -0.191 8.822 -0.783 1.00 0.00 C ATOM 950 CG LEU A 63 0.355 8.208 0.494 1.00 0.00 C ATOM 951 CD1 LEU A 63 -0.101 6.761 0.607 1.00 0.00 C ATOM 952 CD2 LEU A 63 1.875 8.293 0.515 1.00 0.00 C ATOM 0 H LEU A 63 -1.095 10.683 0.671 1.00 0.00 H new ATOM 0 HA LEU A 63 1.190 10.461 -0.908 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.273 8.690 -0.791 1.00 0.00 H new ATOM 0 HB3 LEU A 63 0.205 8.261 -1.629 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.030 8.765 1.348 1.00 0.00 H new ATOM 0 HD11 LEU A 63 0.294 6.326 1.525 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -1.190 6.723 0.627 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.266 6.196 -0.250 1.00 0.00 H new ATOM 0 HD21 LEU A 63 2.252 7.849 1.436 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.281 7.753 -0.340 1.00 0.00 H new ATOM 0 HD23 LEU A 63 2.182 9.338 0.464 1.00 0.00 H new ATOM 964 N GLY A 64 -1.652 10.933 -2.501 1.00 0.00 N ATOM 965 CA GLY A 64 -2.239 11.159 -3.792 1.00 0.00 C ATOM 966 C GLY A 64 -3.044 9.962 -4.229 1.00 0.00 C ATOM 967 O GLY A 64 -3.165 9.695 -5.419 1.00 0.00 O ATOM 0 H GLY A 64 -2.303 10.982 -1.717 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -2.879 12.041 -3.756 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -1.456 11.363 -4.522 1.00 0.00 H new ATOM 971 N LEU A 65 -3.618 9.247 -3.260 1.00 0.00 N ATOM 972 CA LEU A 65 -4.363 8.024 -3.555 1.00 0.00 C ATOM 973 C LEU A 65 -5.720 8.354 -4.165 1.00 0.00 C ATOM 974 O LEU A 65 -6.225 9.472 -4.041 1.00 0.00 O ATOM 975 CB LEU A 65 -4.558 7.183 -2.289 1.00 0.00 C ATOM 976 CG LEU A 65 -3.397 6.314 -1.858 1.00 0.00 C ATOM 977 CD1 LEU A 65 -3.495 6.001 -0.378 1.00 0.00 C ATOM 978 CD2 LEU A 65 -3.355 5.022 -2.646 1.00 0.00 C ATOM 0 H LEU A 65 -3.581 9.492 -2.271 1.00 0.00 H new ATOM 0 HA LEU A 65 -3.781 7.447 -4.274 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -4.800 7.858 -1.468 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -5.425 6.540 -2.439 1.00 0.00 H new ATOM 0 HG LEU A 65 -2.479 6.868 -2.053 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.653 5.375 -0.082 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -3.475 6.930 0.192 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -4.427 5.473 -0.179 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.510 4.420 -2.313 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -4.280 4.468 -2.486 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -3.245 5.246 -3.707 1.00 0.00 H new ATOM 990 N LYS A 66 -6.301 7.354 -4.796 1.00 0.00 N ATOM 991 CA LYS A 66 -7.532 7.573 -5.552 1.00 0.00 C ATOM 992 C LYS A 66 -8.235 6.310 -6.034 1.00 0.00 C ATOM 993 O LYS A 66 -7.931 5.188 -5.626 1.00 0.00 O ATOM 994 CB LYS A 66 -7.272 8.494 -6.766 1.00 0.00 C ATOM 995 CG LYS A 66 -6.617 7.806 -7.963 1.00 0.00 C ATOM 996 CD LYS A 66 -5.153 7.500 -7.738 1.00 0.00 C ATOM 997 CE LYS A 66 -4.264 8.707 -7.976 1.00 0.00 C ATOM 998 NZ LYS A 66 -2.825 8.349 -7.870 1.00 0.00 N ATOM 0 H LYS A 66 -5.954 6.395 -4.806 1.00 0.00 H new ATOM 0 HA LYS A 66 -8.206 8.043 -4.835 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -8.220 8.925 -7.087 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -6.637 9.321 -6.448 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -7.148 6.879 -8.178 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -6.719 8.443 -8.842 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -5.012 7.145 -6.717 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -4.848 6.691 -8.402 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -4.466 9.121 -8.964 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -4.502 9.485 -7.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -2.343 9.029 -7.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -2.734 7.392 -7.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -2.390 8.375 -8.814 1.00 0.00 H new ATOM 1012 N THR A 67 -9.158 6.557 -6.959 1.00 0.00 N ATOM 1013 CA THR A 67 -10.048 5.557 -7.530 1.00 0.00 C ATOM 1014 C THR A 67 -9.284 4.586 -8.433 1.00 0.00 C ATOM 1015 O THR A 67 -9.824 3.573 -8.870 1.00 0.00 O ATOM 1016 CB THR A 67 -11.181 6.236 -8.328 1.00 0.00 C ATOM 1017 OG1 THR A 67 -11.634 7.397 -7.620 1.00 0.00 O ATOM 1018 CG2 THR A 67 -12.354 5.288 -8.534 1.00 0.00 C ATOM 0 H THR A 67 -9.310 7.490 -7.343 1.00 0.00 H new ATOM 0 HA THR A 67 -10.482 4.990 -6.707 1.00 0.00 H new ATOM 0 HB THR A 67 -10.788 6.518 -9.305 1.00 0.00 H new ATOM 0 HG1 THR A 67 -12.352 7.830 -8.127 1.00 0.00 H new ATOM 0 HG21 THR A 67 -13.136 5.795 -9.099 1.00 0.00 H new ATOM 0 HG22 THR A 67 -12.019 4.409 -9.085 1.00 0.00 H new ATOM 0 HG23 THR A 67 -12.748 4.980 -7.565 1.00 0.00 H new ATOM 1026 N ASP A 68 -8.041 4.919 -8.740 1.00 0.00 N ATOM 1027 CA ASP A 68 -7.236 4.095 -9.626 1.00 0.00 C ATOM 1028 C ASP A 68 -5.829 3.966 -9.057 1.00 0.00 C ATOM 1029 O ASP A 68 -4.848 3.851 -9.786 1.00 0.00 O ATOM 1030 CB ASP A 68 -7.205 4.710 -11.033 1.00 0.00 C ATOM 1031 CG ASP A 68 -6.552 3.809 -12.068 1.00 0.00 C ATOM 1032 OD1 ASP A 68 -7.181 2.811 -12.479 1.00 0.00 O ATOM 1033 OD2 ASP A 68 -5.422 4.113 -12.502 1.00 0.00 O ATOM 0 H ASP A 68 -7.568 5.752 -8.390 1.00 0.00 H new ATOM 0 HA ASP A 68 -7.675 3.100 -9.702 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -8.225 4.933 -11.347 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -6.668 5.658 -10.996 1.00 0.00 H new ATOM 1038 N ASP A 69 -5.728 3.996 -7.739 1.00 0.00 N ATOM 1039 CA ASP A 69 -4.429 3.893 -7.104 1.00 0.00 C ATOM 1040 C ASP A 69 -4.195 2.462 -6.635 1.00 0.00 C ATOM 1041 O ASP A 69 -5.018 1.589 -6.894 1.00 0.00 O ATOM 1042 CB ASP A 69 -4.293 4.891 -5.966 1.00 0.00 C ATOM 1043 CG ASP A 69 -2.860 5.336 -5.777 1.00 0.00 C ATOM 1044 OD1 ASP A 69 -2.017 4.492 -5.456 1.00 0.00 O ATOM 1045 OD2 ASP A 69 -2.581 6.537 -5.970 1.00 0.00 O ATOM 0 H ASP A 69 -6.516 4.089 -7.098 1.00 0.00 H new ATOM 0 HA ASP A 69 -3.659 4.142 -7.834 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -4.920 5.760 -6.168 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -4.659 4.442 -5.043 1.00 0.00 H new ATOM 1050 N LEU A 70 -3.076 2.222 -5.970 1.00 0.00 N ATOM 1051 CA LEU A 70 -2.552 0.875 -5.769 1.00 0.00 C ATOM 1052 C LEU A 70 -1.477 0.822 -4.696 1.00 0.00 C ATOM 1053 O LEU A 70 -0.727 1.777 -4.514 1.00 0.00 O ATOM 1054 CB LEU A 70 -1.998 0.303 -7.063 1.00 0.00 C ATOM 1055 CG LEU A 70 -0.765 0.957 -7.634 1.00 0.00 C ATOM 1056 CD1 LEU A 70 -0.902 2.441 -7.535 1.00 0.00 C ATOM 1057 CD2 LEU A 70 0.530 0.472 -6.994 1.00 0.00 C ATOM 0 H LEU A 70 -2.503 2.955 -5.553 1.00 0.00 H new ATOM 0 HA LEU A 70 -3.395 0.270 -5.434 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -1.776 -0.751 -6.898 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -2.784 0.349 -7.816 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.693 0.664 -8.682 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.012 2.917 -7.947 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -1.779 2.764 -8.096 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.015 2.727 -6.489 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.376 0.984 -7.452 1.00 0.00 H new ATOM 0 HD22 LEU A 70 0.511 0.688 -5.926 1.00 0.00 H new ATOM 0 HD23 LEU A 70 0.630 -0.603 -7.145 1.00 0.00 H new ATOM 1069 N LEU A 71 -1.417 -0.289 -3.977 1.00 0.00 N ATOM 1070 CA LEU A 71 -0.231 -0.617 -3.195 1.00 0.00 C ATOM 1071 C LEU A 71 0.410 -1.890 -3.691 1.00 0.00 C ATOM 1072 O LEU A 71 -0.228 -2.742 -4.315 1.00 0.00 O ATOM 1073 CB LEU A 71 -0.517 -0.813 -1.709 1.00 0.00 C ATOM 1074 CG LEU A 71 -0.517 0.444 -0.835 1.00 0.00 C ATOM 1075 CD1 LEU A 71 -0.196 1.669 -1.651 1.00 0.00 C ATOM 1076 CD2 LEU A 71 -1.836 0.598 -0.119 1.00 0.00 C ATOM 0 H LEU A 71 -2.169 -0.975 -3.918 1.00 0.00 H new ATOM 0 HA LEU A 71 0.430 0.240 -3.320 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.490 -1.295 -1.611 1.00 0.00 H new ATOM 0 HB3 LEU A 71 0.224 -1.505 -1.309 1.00 0.00 H new ATOM 0 HG LEU A 71 0.263 0.333 -0.082 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -0.203 2.548 -1.006 1.00 0.00 H new ATOM 0 HD12 LEU A 71 0.790 1.557 -2.102 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -0.943 1.789 -2.436 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -1.813 1.498 0.496 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -2.640 0.679 -0.851 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.009 -0.271 0.516 1.00 0.00 H new ATOM 1088 N LEU A 72 1.677 -2.005 -3.392 1.00 0.00 N ATOM 1089 CA LEU A 72 2.402 -3.264 -3.604 1.00 0.00 C ATOM 1090 C LEU A 72 3.181 -3.708 -2.412 1.00 0.00 C ATOM 1091 O LEU A 72 3.899 -2.957 -1.787 1.00 0.00 O ATOM 1092 CB LEU A 72 3.353 -3.208 -4.760 1.00 0.00 C ATOM 1093 CG LEU A 72 2.645 -3.097 -6.079 1.00 0.00 C ATOM 1094 CD1 LEU A 72 3.076 -1.852 -6.831 1.00 0.00 C ATOM 1095 CD2 LEU A 72 2.874 -4.346 -6.901 1.00 0.00 C ATOM 0 H LEU A 72 2.242 -1.252 -3.000 1.00 0.00 H new ATOM 0 HA LEU A 72 1.607 -3.980 -3.810 1.00 0.00 H new ATOM 0 HB2 LEU A 72 4.021 -2.356 -4.636 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.975 -4.103 -4.759 1.00 0.00 H new ATOM 0 HG LEU A 72 1.576 -3.004 -5.890 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.546 -1.800 -7.782 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.843 -0.969 -6.236 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.150 -1.892 -7.016 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.356 -4.254 -7.855 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.942 -4.474 -7.079 1.00 0.00 H new ATOM 0 HD23 LEU A 72 2.490 -5.212 -6.362 1.00 0.00 H new ATOM 1107 N ILE A 73 3.097 -4.968 -2.177 1.00 0.00 N ATOM 1108 CA ILE A 73 3.792 -5.548 -1.012 1.00 0.00 C ATOM 1109 C ILE A 73 5.068 -6.206 -1.352 1.00 0.00 C ATOM 1110 O ILE A 73 5.131 -7.341 -1.800 1.00 0.00 O ATOM 1111 CB ILE A 73 2.954 -6.470 -0.123 1.00 0.00 C ATOM 1112 CG1 ILE A 73 2.053 -5.580 0.654 1.00 0.00 C ATOM 1113 CG2 ILE A 73 3.807 -7.291 0.837 1.00 0.00 C ATOM 1114 CD1 ILE A 73 2.704 -4.254 0.968 1.00 0.00 C ATOM 0 H ILE A 73 2.572 -5.633 -2.745 1.00 0.00 H new ATOM 0 HA ILE A 73 4.000 -4.659 -0.416 1.00 0.00 H new ATOM 0 HB ILE A 73 2.413 -7.186 -0.741 1.00 0.00 H new ATOM 0 HG12 ILE A 73 1.136 -5.410 0.090 1.00 0.00 H new ATOM 0 HG13 ILE A 73 1.768 -6.074 1.583 1.00 0.00 H new ATOM 0 HG21 ILE A 73 3.162 -7.927 1.443 1.00 0.00 H new ATOM 0 HG22 ILE A 73 4.499 -7.912 0.268 1.00 0.00 H new ATOM 0 HG23 ILE A 73 4.371 -6.621 1.487 1.00 0.00 H new ATOM 0 HD11 ILE A 73 2.011 -3.634 1.537 1.00 0.00 H new ATOM 0 HD12 ILE A 73 3.607 -4.422 1.555 1.00 0.00 H new ATOM 0 HD13 ILE A 73 2.965 -3.748 0.039 1.00 0.00 H new ATOM 1126 N ARG A 74 6.093 -5.499 -1.048 1.00 0.00 N ATOM 1127 CA ARG A 74 7.379 -5.877 -1.462 1.00 0.00 C ATOM 1128 C ARG A 74 8.243 -6.089 -0.250 1.00 0.00 C ATOM 1129 O ARG A 74 7.753 -6.117 0.853 1.00 0.00 O ATOM 1130 CB ARG A 74 7.868 -4.741 -2.325 1.00 0.00 C ATOM 1131 CG ARG A 74 9.241 -4.877 -2.829 1.00 0.00 C ATOM 1132 CD ARG A 74 9.265 -4.678 -4.319 1.00 0.00 C ATOM 1133 NE ARG A 74 10.208 -5.572 -4.987 1.00 0.00 N ATOM 1134 CZ ARG A 74 11.533 -5.543 -4.799 1.00 0.00 C ATOM 1135 NH1 ARG A 74 12.084 -4.606 -4.029 1.00 0.00 N ATOM 1136 NH2 ARG A 74 12.304 -6.436 -5.403 1.00 0.00 N ATOM 0 H ARG A 74 6.056 -4.638 -0.502 1.00 0.00 H new ATOM 0 HA ARG A 74 7.398 -6.812 -2.023 1.00 0.00 H new ATOM 0 HB2 ARG A 74 7.195 -4.639 -3.176 1.00 0.00 H new ATOM 0 HB3 ARG A 74 7.800 -3.816 -1.752 1.00 0.00 H new ATOM 0 HG2 ARG A 74 9.888 -4.145 -2.346 1.00 0.00 H new ATOM 0 HG3 ARG A 74 9.633 -5.863 -2.579 1.00 0.00 H new ATOM 0 HD2 ARG A 74 8.265 -4.844 -4.721 1.00 0.00 H new ATOM 0 HD3 ARG A 74 9.530 -3.644 -4.540 1.00 0.00 H new ATOM 0 HE ARG A 74 9.833 -6.262 -5.638 1.00 0.00 H new ATOM 0 HH11 ARG A 74 11.496 -3.905 -3.579 1.00 0.00 H new ATOM 0 HH12 ARG A 74 13.094 -4.589 -3.890 1.00 0.00 H new ATOM 0 HH21 ARG A 74 11.887 -7.143 -6.009 1.00 0.00 H new ATOM 0 HH22 ARG A 74 13.314 -6.416 -5.262 1.00 0.00 H new ATOM 1150 N GLY A 75 9.486 -6.321 -0.487 1.00 0.00 N ATOM 1151 CA GLY A 75 10.491 -6.258 0.519 1.00 0.00 C ATOM 1152 C GLY A 75 11.153 -7.572 0.692 1.00 0.00 C ATOM 1153 O GLY A 75 11.486 -8.251 -0.278 1.00 0.00 O ATOM 0 H GLY A 75 9.843 -6.567 -1.410 1.00 0.00 H new ATOM 0 HA2 GLY A 75 11.233 -5.506 0.250 1.00 0.00 H new ATOM 0 HA3 GLY A 75 10.046 -5.944 1.463 1.00 0.00 H new ATOM 1157 N LYS A 76 11.320 -7.916 1.935 1.00 0.00 N ATOM 1158 CA LYS A 76 11.742 -9.189 2.345 1.00 0.00 C ATOM 1159 C LYS A 76 13.168 -9.499 2.010 1.00 0.00 C ATOM 1160 O LYS A 76 13.984 -8.662 1.631 1.00 0.00 O ATOM 1161 CB LYS A 76 10.830 -10.263 1.772 1.00 0.00 C ATOM 1162 CG LYS A 76 9.406 -10.115 2.238 1.00 0.00 C ATOM 1163 CD LYS A 76 9.325 -10.091 3.745 1.00 0.00 C ATOM 1164 CE LYS A 76 10.010 -11.283 4.371 1.00 0.00 C ATOM 1165 NZ LYS A 76 9.512 -12.585 3.843 1.00 0.00 N ATOM 0 H LYS A 76 11.154 -7.276 2.712 1.00 0.00 H new ATOM 0 HA LYS A 76 11.679 -9.182 3.433 1.00 0.00 H new ATOM 0 HB2 LYS A 76 10.860 -10.218 0.683 1.00 0.00 H new ATOM 0 HB3 LYS A 76 11.204 -11.245 2.061 1.00 0.00 H new ATOM 0 HG2 LYS A 76 8.982 -9.196 1.834 1.00 0.00 H new ATOM 0 HG3 LYS A 76 8.807 -10.940 1.852 1.00 0.00 H new ATOM 0 HD2 LYS A 76 9.782 -9.174 4.117 1.00 0.00 H new ATOM 0 HD3 LYS A 76 8.279 -10.073 4.051 1.00 0.00 H new ATOM 0 HE2 LYS A 76 11.083 -11.212 4.194 1.00 0.00 H new ATOM 0 HE3 LYS A 76 9.862 -11.255 5.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 9.943 -13.365 4.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 8.478 -12.627 3.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 9.767 -12.673 2.839 1.00 0.00 H new ATOM 1179 N ILE A 77 13.383 -10.743 2.191 1.00 0.00 N ATOM 1180 CA ILE A 77 14.627 -11.397 1.991 1.00 0.00 C ATOM 1181 C ILE A 77 14.923 -11.573 0.499 1.00 0.00 C ATOM 1182 O ILE A 77 15.888 -11.020 -0.032 1.00 0.00 O ATOM 1183 CB ILE A 77 14.568 -12.763 2.677 1.00 0.00 C ATOM 1184 CG1 ILE A 77 14.514 -12.601 4.198 1.00 0.00 C ATOM 1185 CG2 ILE A 77 15.750 -13.640 2.277 1.00 0.00 C ATOM 1186 CD1 ILE A 77 13.241 -12.003 4.753 1.00 0.00 C ATOM 0 H ILE A 77 12.650 -11.379 2.504 1.00 0.00 H new ATOM 0 HA ILE A 77 15.426 -10.791 2.418 1.00 0.00 H new ATOM 0 HB ILE A 77 13.656 -13.260 2.345 1.00 0.00 H new ATOM 0 HG12 ILE A 77 14.662 -13.580 4.654 1.00 0.00 H new ATOM 0 HG13 ILE A 77 15.351 -11.976 4.507 1.00 0.00 H new ATOM 0 HG21 ILE A 77 15.676 -14.603 2.783 1.00 0.00 H new ATOM 0 HG22 ILE A 77 15.739 -13.795 1.198 1.00 0.00 H new ATOM 0 HG23 ILE A 77 16.680 -13.150 2.564 1.00 0.00 H new ATOM 0 HD11 ILE A 77 13.314 -11.935 5.838 1.00 0.00 H new ATOM 0 HD12 ILE A 77 13.095 -11.006 4.336 1.00 0.00 H new ATOM 0 HD13 ILE A 77 12.395 -12.636 4.485 1.00 0.00 H new ATOM 1198 N SER A 78 14.075 -12.345 -0.165 1.00 0.00 N ATOM 1199 CA SER A 78 14.264 -12.688 -1.566 1.00 0.00 C ATOM 1200 C SER A 78 13.869 -11.539 -2.495 1.00 0.00 C ATOM 1201 O SER A 78 12.998 -10.732 -2.167 1.00 0.00 O ATOM 1202 CB SER A 78 13.443 -13.933 -1.888 1.00 0.00 C ATOM 1203 OG SER A 78 13.669 -14.944 -0.915 1.00 0.00 O ATOM 0 H SER A 78 13.237 -12.751 0.252 1.00 0.00 H new ATOM 0 HA SER A 78 15.323 -12.884 -1.731 1.00 0.00 H new ATOM 0 HB2 SER A 78 12.383 -13.679 -1.918 1.00 0.00 H new ATOM 0 HB3 SER A 78 13.710 -14.306 -2.877 1.00 0.00 H new ATOM 0 HG SER A 78 13.134 -15.735 -1.135 1.00 0.00 H new ATOM 1209 N ASN A 79 14.531 -11.489 -3.658 1.00 0.00 N ATOM 1210 CA ASN A 79 14.274 -10.486 -4.704 1.00 0.00 C ATOM 1211 C ASN A 79 14.799 -9.108 -4.289 1.00 0.00 C ATOM 1212 O ASN A 79 14.528 -8.093 -4.941 1.00 0.00 O ATOM 1213 CB ASN A 79 12.777 -10.417 -5.057 1.00 0.00 C ATOM 1214 CG ASN A 79 12.498 -9.646 -6.339 1.00 0.00 C ATOM 1215 OD1 ASN A 79 11.322 -9.047 -6.428 1.00 0.00 O flip ATOM 1216 ND2 ASN A 79 13.328 -9.596 -7.247 1.00 0.00 N flip ATOM 0 H ASN A 79 15.268 -12.150 -3.903 1.00 0.00 H new ATOM 0 HA ASN A 79 14.814 -10.798 -5.598 1.00 0.00 H new ATOM 0 HB2 ASN A 79 12.387 -11.430 -5.158 1.00 0.00 H new ATOM 0 HB3 ASN A 79 12.238 -9.948 -4.234 1.00 0.00 H new ATOM 0 HD21 ASN A 79 14.225 -10.070 -7.144 1.00 0.00 H new ATOM 0 HD22 ASN A 79 13.118 -9.081 -8.102 1.00 0.00 H new ATOM 1223 N SER A 80 15.567 -9.075 -3.214 1.00 0.00 N ATOM 1224 CA SER A 80 16.178 -7.840 -2.767 1.00 0.00 C ATOM 1225 C SER A 80 17.618 -8.100 -2.352 1.00 0.00 C ATOM 1226 O SER A 80 17.999 -9.240 -2.080 1.00 0.00 O ATOM 1227 CB SER A 80 15.397 -7.245 -1.586 1.00 0.00 C ATOM 1228 OG SER A 80 15.679 -7.944 -0.385 1.00 0.00 O ATOM 0 H SER A 80 15.781 -9.888 -2.637 1.00 0.00 H new ATOM 0 HA SER A 80 16.160 -7.126 -3.590 1.00 0.00 H new ATOM 0 HB2 SER A 80 15.656 -6.193 -1.468 1.00 0.00 H new ATOM 0 HB3 SER A 80 14.328 -7.289 -1.794 1.00 0.00 H new ATOM 0 HG SER A 80 14.852 -8.060 0.128 1.00 0.00 H new TER 1234 SER A 80