USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 575 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 35 ASN :FLIP amide:sc= 0.0319 F(o=-2.1,f=0.032) USER MOD Set 1.2: A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -170:sc= 0 (180deg=-0.067) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ -164:sc= -0.0137 (180deg=-0.213) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -0.335 K(o=-0.34,f=-2.2!) USER MOD Single : A 18 LYS NZ :NH3+ -124:sc= -0.143 (180deg=-1.39) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot -179:sc= -0.612 USER MOD Single : A 25 MET CE :methyl -161:sc= -2.75 (180deg=-5.84!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ -129:sc= -0.417 (180deg=-1.59!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= -0.129 USER MOD Single : A 38 ASN : amide:sc= -0.0189 X(o=-0.019,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.231 K(o=-0.23,f=-1.2) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.028) USER MOD Single : A 68 LYS NZ :NH3+ -173:sc= 0.124 (180deg=0.107) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.959 -6.560 4.045 1.00 0.00 N ATOM 2 CA MET A 1 -2.089 -5.527 3.494 1.00 0.00 C ATOM 3 C MET A 1 -0.883 -6.148 2.796 1.00 0.00 C ATOM 4 O MET A 1 0.054 -6.609 3.449 1.00 0.00 O ATOM 5 CB MET A 1 -1.622 -4.580 4.601 1.00 0.00 C ATOM 6 CG MET A 1 -2.761 -3.881 5.324 1.00 0.00 C ATOM 7 SD MET A 1 -2.247 -2.339 6.104 1.00 0.00 S ATOM 8 CE MET A 1 -2.876 -2.572 7.764 1.00 0.00 C ATOM 0 H1 MET A 1 -3.850 -6.129 4.364 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.160 -7.271 3.313 1.00 0.00 H new ATOM 0 H3 MET A 1 -2.488 -7.017 4.852 1.00 0.00 H new ATOM 0 HA MET A 1 -2.660 -4.960 2.758 1.00 0.00 H new ATOM 0 HB2 MET A 1 -1.034 -5.143 5.326 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.961 -3.828 4.170 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.564 -3.675 4.616 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.169 -4.549 6.083 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.636 -1.698 8.370 1.00 0.00 H new ATOM 0 HE2 MET A 1 -3.958 -2.703 7.728 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.418 -3.457 8.206 1.00 0.00 H new ATOM 18 N ASP A 2 -0.913 -6.155 1.468 1.00 0.00 N ATOM 19 CA ASP A 2 0.179 -6.718 0.682 1.00 0.00 C ATOM 20 C ASP A 2 0.570 -5.780 -0.455 1.00 0.00 C ATOM 21 O ASP A 2 -0.289 -5.270 -1.174 1.00 0.00 O ATOM 22 CB ASP A 2 -0.220 -8.083 0.120 1.00 0.00 C ATOM 23 CG ASP A 2 0.970 -9.005 -0.062 1.00 0.00 C ATOM 24 OD1 ASP A 2 1.728 -8.810 -1.035 1.00 0.00 O ATOM 25 OD2 ASP A 2 1.143 -9.921 0.768 1.00 0.00 O ATOM 0 H ASP A 2 -1.681 -5.777 0.913 1.00 0.00 H new ATOM 0 HA ASP A 2 1.040 -6.842 1.339 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -0.940 -8.552 0.790 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -0.720 -7.946 -0.839 1.00 0.00 H new ATOM 30 N GLU A 3 1.871 -5.556 -0.611 1.00 0.00 N ATOM 31 CA GLU A 3 2.374 -4.678 -1.661 1.00 0.00 C ATOM 32 C GLU A 3 3.221 -5.456 -2.663 1.00 0.00 C ATOM 33 O GLU A 3 4.417 -5.203 -2.812 1.00 0.00 O ATOM 34 CB GLU A 3 3.199 -3.541 -1.053 1.00 0.00 C ATOM 35 CG GLU A 3 4.183 -4.004 0.009 1.00 0.00 C ATOM 36 CD GLU A 3 3.581 -4.006 1.400 1.00 0.00 C ATOM 37 OE1 GLU A 3 2.811 -3.076 1.716 1.00 0.00 O ATOM 38 OE2 GLU A 3 3.881 -4.940 2.174 1.00 0.00 O ATOM 0 H GLU A 3 2.595 -5.970 -0.024 1.00 0.00 H new ATOM 0 HA GLU A 3 1.518 -4.256 -2.187 1.00 0.00 H new ATOM 0 HB2 GLU A 3 3.747 -3.035 -1.848 1.00 0.00 H new ATOM 0 HB3 GLU A 3 2.523 -2.807 -0.615 1.00 0.00 H new ATOM 0 HG2 GLU A 3 4.529 -5.009 -0.235 1.00 0.00 H new ATOM 0 HG3 GLU A 3 5.058 -3.354 -0.003 1.00 0.00 H new ATOM 45 N THR A 4 2.593 -6.407 -3.348 1.00 0.00 N ATOM 46 CA THR A 4 3.287 -7.224 -4.334 1.00 0.00 C ATOM 47 C THR A 4 2.735 -6.984 -5.734 1.00 0.00 C ATOM 48 O THR A 4 3.427 -7.192 -6.730 1.00 0.00 O ATOM 49 CB THR A 4 3.175 -8.724 -4.000 1.00 0.00 C ATOM 50 OG1 THR A 4 3.963 -9.490 -4.918 1.00 0.00 O ATOM 51 CG2 THR A 4 1.727 -9.185 -4.060 1.00 0.00 C ATOM 0 H THR A 4 1.604 -6.630 -3.237 1.00 0.00 H new ATOM 0 HA THR A 4 4.336 -6.930 -4.305 1.00 0.00 H new ATOM 0 HB THR A 4 3.547 -8.877 -2.987 1.00 0.00 H new ATOM 0 HG1 THR A 4 3.888 -10.442 -4.698 1.00 0.00 H new ATOM 0 HG21 THR A 4 1.673 -10.247 -3.821 1.00 0.00 H new ATOM 0 HG22 THR A 4 1.135 -8.620 -3.340 1.00 0.00 H new ATOM 0 HG23 THR A 4 1.333 -9.019 -5.063 1.00 0.00 H new ATOM 59 N GLY A 5 1.482 -6.544 -5.804 1.00 0.00 N ATOM 60 CA GLY A 5 0.858 -6.283 -7.088 1.00 0.00 C ATOM 61 C GLY A 5 -0.196 -7.313 -7.441 1.00 0.00 C ATOM 62 O GLY A 5 -0.056 -8.045 -8.421 1.00 0.00 O ATOM 0 H GLY A 5 0.888 -6.364 -4.994 1.00 0.00 H new ATOM 0 HA2 GLY A 5 0.403 -5.293 -7.073 1.00 0.00 H new ATOM 0 HA3 GLY A 5 1.623 -6.270 -7.864 1.00 0.00 H new ATOM 66 N LYS A 6 -1.255 -7.373 -6.640 1.00 0.00 N ATOM 67 CA LYS A 6 -2.337 -8.321 -6.872 1.00 0.00 C ATOM 68 C LYS A 6 -3.593 -7.911 -6.109 1.00 0.00 C ATOM 69 O LYS A 6 -3.514 -7.446 -4.972 1.00 0.00 O ATOM 70 CB LYS A 6 -1.909 -9.729 -6.450 1.00 0.00 C ATOM 71 CG LYS A 6 -1.301 -10.543 -7.579 1.00 0.00 C ATOM 72 CD LYS A 6 -1.597 -12.025 -7.420 1.00 0.00 C ATOM 73 CE LYS A 6 -0.794 -12.635 -6.281 1.00 0.00 C ATOM 74 NZ LYS A 6 0.660 -12.690 -6.596 1.00 0.00 N ATOM 0 H LYS A 6 -1.386 -6.775 -5.824 1.00 0.00 H new ATOM 0 HA LYS A 6 -2.564 -8.321 -7.938 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -1.186 -9.652 -5.638 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -2.775 -10.260 -6.056 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -1.694 -10.193 -8.534 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -0.222 -10.387 -7.602 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -2.661 -12.166 -7.233 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -1.365 -12.545 -8.349 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -0.947 -12.050 -5.374 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -1.160 -13.641 -6.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 1.133 -13.341 -5.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 0.791 -13.027 -7.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 1.072 -11.740 -6.499 1.00 0.00 H new ATOM 88 N GLU A 7 -4.749 -8.088 -6.741 1.00 0.00 N ATOM 89 CA GLU A 7 -6.020 -7.736 -6.120 1.00 0.00 C ATOM 90 C GLU A 7 -7.070 -8.813 -6.380 1.00 0.00 C ATOM 91 O GLU A 7 -6.853 -9.727 -7.177 1.00 0.00 O ATOM 92 CB GLU A 7 -6.515 -6.388 -6.647 1.00 0.00 C ATOM 93 CG GLU A 7 -5.530 -5.251 -6.431 1.00 0.00 C ATOM 94 CD GLU A 7 -5.896 -4.005 -7.214 1.00 0.00 C ATOM 95 OE1 GLU A 7 -5.745 -4.019 -8.453 1.00 0.00 O ATOM 96 OE2 GLU A 7 -6.334 -3.018 -6.588 1.00 0.00 O ATOM 0 H GLU A 7 -4.831 -8.473 -7.682 1.00 0.00 H new ATOM 0 HA GLU A 7 -5.860 -7.661 -5.044 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -6.724 -6.479 -7.713 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -7.457 -6.140 -6.157 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -5.488 -5.009 -5.369 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -4.532 -5.579 -6.723 1.00 0.00 H new ATOM 103 N LEU A 8 -8.207 -8.699 -5.703 1.00 0.00 N ATOM 104 CA LEU A 8 -9.291 -9.662 -5.860 1.00 0.00 C ATOM 105 C LEU A 8 -10.457 -9.049 -6.628 1.00 0.00 C ATOM 106 O LEU A 8 -10.602 -7.827 -6.686 1.00 0.00 O ATOM 107 CB LEU A 8 -9.767 -10.151 -4.491 1.00 0.00 C ATOM 108 CG LEU A 8 -8.674 -10.416 -3.456 1.00 0.00 C ATOM 109 CD1 LEU A 8 -9.288 -10.763 -2.108 1.00 0.00 C ATOM 110 CD2 LEU A 8 -7.752 -11.532 -3.926 1.00 0.00 C ATOM 0 H LEU A 8 -8.402 -7.949 -5.040 1.00 0.00 H new ATOM 0 HA LEU A 8 -8.911 -10.510 -6.430 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -10.455 -9.411 -4.082 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -10.335 -11.070 -4.633 1.00 0.00 H new ATOM 0 HG LEU A 8 -8.083 -9.508 -3.341 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -8.495 -10.948 -1.384 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -9.906 -9.933 -1.765 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -9.904 -11.657 -2.208 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -6.980 -11.706 -3.176 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -8.330 -12.445 -4.071 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -7.284 -11.245 -4.868 1.00 0.00 H new ATOM 122 N VAL A 9 -11.288 -9.904 -7.215 1.00 0.00 N ATOM 123 CA VAL A 9 -12.444 -9.447 -7.976 1.00 0.00 C ATOM 124 C VAL A 9 -13.699 -10.223 -7.591 1.00 0.00 C ATOM 125 O VAL A 9 -13.624 -11.385 -7.189 1.00 0.00 O ATOM 126 CB VAL A 9 -12.211 -9.590 -9.492 1.00 0.00 C ATOM 127 CG1 VAL A 9 -11.154 -8.604 -9.965 1.00 0.00 C ATOM 128 CG2 VAL A 9 -11.812 -11.017 -9.837 1.00 0.00 C ATOM 0 H VAL A 9 -11.182 -10.918 -7.178 1.00 0.00 H new ATOM 0 HA VAL A 9 -12.584 -8.393 -7.735 1.00 0.00 H new ATOM 0 HB VAL A 9 -13.143 -9.362 -10.008 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -11.003 -8.720 -11.038 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -11.484 -7.587 -9.753 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -10.217 -8.798 -9.444 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -11.651 -11.100 -10.912 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -10.892 -11.275 -9.312 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -12.606 -11.700 -9.535 1.00 0.00 H new ATOM 138 N LEU A 10 -14.851 -9.575 -7.716 1.00 0.00 N ATOM 139 CA LEU A 10 -16.124 -10.204 -7.381 1.00 0.00 C ATOM 140 C LEU A 10 -16.865 -10.638 -8.642 1.00 0.00 C ATOM 141 O LEU A 10 -16.851 -9.938 -9.654 1.00 0.00 O ATOM 142 CB LEU A 10 -16.994 -9.242 -6.570 1.00 0.00 C ATOM 143 CG LEU A 10 -18.124 -9.879 -5.761 1.00 0.00 C ATOM 144 CD1 LEU A 10 -18.387 -9.082 -4.493 1.00 0.00 C ATOM 145 CD2 LEU A 10 -19.389 -9.981 -6.601 1.00 0.00 C ATOM 0 H LEU A 10 -14.930 -8.614 -8.047 1.00 0.00 H new ATOM 0 HA LEU A 10 -15.916 -11.090 -6.780 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -16.350 -8.691 -5.885 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -17.430 -8.513 -7.254 1.00 0.00 H new ATOM 0 HG LEU A 10 -17.819 -10.886 -5.476 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -19.194 -9.550 -3.930 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -17.484 -9.061 -3.883 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -18.671 -8.063 -4.756 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -20.183 -10.437 -6.009 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -19.698 -8.984 -6.916 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -19.194 -10.595 -7.480 1.00 0.00 H new ATOM 157 N ALA A 11 -17.512 -11.797 -8.572 1.00 0.00 N ATOM 158 CA ALA A 11 -18.262 -12.322 -9.706 1.00 0.00 C ATOM 159 C ALA A 11 -19.642 -11.679 -9.797 1.00 0.00 C ATOM 160 O ALA A 11 -20.376 -11.617 -8.810 1.00 0.00 O ATOM 161 CB ALA A 11 -18.389 -13.834 -9.600 1.00 0.00 C ATOM 0 H ALA A 11 -17.532 -12.390 -7.742 1.00 0.00 H new ATOM 0 HA ALA A 11 -17.715 -12.077 -10.616 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -18.951 -14.213 -10.453 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -17.396 -14.283 -9.592 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -18.911 -14.092 -8.678 1.00 0.00 H new ATOM 167 N LEU A 12 -19.989 -11.199 -10.986 1.00 0.00 N ATOM 168 CA LEU A 12 -21.281 -10.559 -11.206 1.00 0.00 C ATOM 169 C LEU A 12 -22.406 -11.589 -11.206 1.00 0.00 C ATOM 170 O LEU A 12 -23.339 -11.505 -10.407 1.00 0.00 O ATOM 171 CB LEU A 12 -21.275 -9.794 -12.531 1.00 0.00 C ATOM 172 CG LEU A 12 -20.328 -8.596 -12.609 1.00 0.00 C ATOM 173 CD1 LEU A 12 -20.437 -7.918 -13.966 1.00 0.00 C ATOM 174 CD2 LEU A 12 -20.624 -7.607 -11.491 1.00 0.00 C ATOM 0 H LEU A 12 -19.393 -11.241 -11.813 1.00 0.00 H new ATOM 0 HA LEU A 12 -21.455 -9.858 -10.390 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -21.015 -10.490 -13.328 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -22.288 -9.445 -12.731 1.00 0.00 H new ATOM 0 HG LEU A 12 -19.307 -8.956 -12.486 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -19.756 -7.068 -14.004 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -20.174 -8.628 -14.750 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -21.459 -7.571 -14.118 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -19.940 -6.761 -11.563 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -21.651 -7.252 -11.581 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -20.494 -8.098 -10.527 1.00 0.00 H new ATOM 186 N TYR A 13 -22.310 -12.562 -12.105 1.00 0.00 N ATOM 187 CA TYR A 13 -23.320 -13.609 -12.210 1.00 0.00 C ATOM 188 C TYR A 13 -22.682 -14.992 -12.120 1.00 0.00 C ATOM 189 O TYR A 13 -21.458 -15.122 -12.086 1.00 0.00 O ATOM 190 CB TYR A 13 -24.090 -13.474 -13.524 1.00 0.00 C ATOM 191 CG TYR A 13 -24.691 -12.103 -13.736 1.00 0.00 C ATOM 192 CD1 TYR A 13 -25.849 -11.720 -13.071 1.00 0.00 C ATOM 193 CD2 TYR A 13 -24.101 -11.191 -14.602 1.00 0.00 C ATOM 194 CE1 TYR A 13 -26.402 -10.469 -13.262 1.00 0.00 C ATOM 195 CE2 TYR A 13 -24.646 -9.937 -14.798 1.00 0.00 C ATOM 196 CZ TYR A 13 -25.797 -9.580 -14.126 1.00 0.00 C ATOM 197 OH TYR A 13 -26.343 -8.333 -14.320 1.00 0.00 O ATOM 0 H TYR A 13 -21.543 -12.648 -12.772 1.00 0.00 H new ATOM 0 HA TYR A 13 -24.014 -13.494 -11.377 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -23.419 -13.700 -14.353 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -24.886 -14.218 -13.547 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -26.325 -12.413 -12.393 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -23.201 -11.467 -15.131 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -27.303 -10.188 -12.738 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -24.174 -9.239 -15.474 1.00 0.00 H new ATOM 0 HH TYR A 13 -25.794 -7.831 -14.958 1.00 0.00 H new ATOM 207 N ASP A 14 -23.520 -16.022 -12.084 1.00 0.00 N ATOM 208 CA ASP A 14 -23.040 -17.396 -12.000 1.00 0.00 C ATOM 209 C ASP A 14 -22.609 -17.905 -13.372 1.00 0.00 C ATOM 210 O ASP A 14 -23.415 -17.976 -14.301 1.00 0.00 O ATOM 211 CB ASP A 14 -24.127 -18.304 -11.424 1.00 0.00 C ATOM 212 CG ASP A 14 -25.388 -18.306 -12.266 1.00 0.00 C ATOM 213 OD1 ASP A 14 -26.004 -17.229 -12.414 1.00 0.00 O ATOM 214 OD2 ASP A 14 -25.758 -19.383 -12.777 1.00 0.00 O ATOM 0 H ASP A 14 -24.536 -15.931 -12.112 1.00 0.00 H new ATOM 0 HA ASP A 14 -22.175 -17.413 -11.337 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -23.743 -19.321 -11.348 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -24.370 -17.978 -10.413 1.00 0.00 H new ATOM 219 N TYR A 15 -21.335 -18.258 -13.493 1.00 0.00 N ATOM 220 CA TYR A 15 -20.796 -18.758 -14.753 1.00 0.00 C ATOM 221 C TYR A 15 -20.328 -20.203 -14.610 1.00 0.00 C ATOM 222 O TYR A 15 -20.380 -20.779 -13.524 1.00 0.00 O ATOM 223 CB TYR A 15 -19.635 -17.878 -15.220 1.00 0.00 C ATOM 224 CG TYR A 15 -19.541 -17.748 -16.723 1.00 0.00 C ATOM 225 CD1 TYR A 15 -20.634 -17.332 -17.474 1.00 0.00 C ATOM 226 CD2 TYR A 15 -18.360 -18.041 -17.393 1.00 0.00 C ATOM 227 CE1 TYR A 15 -20.553 -17.212 -18.848 1.00 0.00 C ATOM 228 CE2 TYR A 15 -18.270 -17.923 -18.767 1.00 0.00 C ATOM 229 CZ TYR A 15 -19.369 -17.508 -19.490 1.00 0.00 C ATOM 230 OH TYR A 15 -19.283 -17.391 -20.858 1.00 0.00 O ATOM 0 H TYR A 15 -20.655 -18.207 -12.734 1.00 0.00 H new ATOM 0 HA TYR A 15 -21.591 -18.725 -15.498 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -19.744 -16.885 -14.784 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -18.701 -18.292 -14.840 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -21.563 -17.098 -16.975 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -17.497 -18.367 -16.831 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -21.412 -16.888 -19.416 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -17.344 -18.155 -19.272 1.00 0.00 H new ATOM 0 HH TYR A 15 -18.381 -17.636 -21.151 1.00 0.00 H new ATOM 240 N GLN A 16 -19.870 -20.781 -15.716 1.00 0.00 N ATOM 241 CA GLN A 16 -19.392 -22.159 -15.715 1.00 0.00 C ATOM 242 C GLN A 16 -18.127 -22.297 -16.556 1.00 0.00 C ATOM 243 O GLN A 16 -17.947 -21.585 -17.543 1.00 0.00 O ATOM 244 CB GLN A 16 -20.477 -23.097 -16.245 1.00 0.00 C ATOM 245 CG GLN A 16 -21.371 -23.670 -15.158 1.00 0.00 C ATOM 246 CD GLN A 16 -22.437 -22.693 -14.704 1.00 0.00 C ATOM 247 OE1 GLN A 16 -22.807 -21.775 -15.437 1.00 0.00 O ATOM 248 NE2 GLN A 16 -22.939 -22.885 -13.490 1.00 0.00 N ATOM 0 H GLN A 16 -19.820 -20.317 -16.623 1.00 0.00 H new ATOM 0 HA GLN A 16 -19.154 -22.434 -14.688 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -21.094 -22.556 -16.963 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -20.004 -23.918 -16.785 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -21.849 -24.578 -15.527 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -20.759 -23.957 -14.303 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -22.604 -23.658 -12.916 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -23.660 -22.259 -13.131 1.00 0.00 H new ATOM 257 N GLU A 17 -17.255 -23.218 -16.157 1.00 0.00 N ATOM 258 CA GLU A 17 -16.006 -23.447 -16.875 1.00 0.00 C ATOM 259 C GLU A 17 -16.256 -24.218 -18.168 1.00 0.00 C ATOM 260 O GLU A 17 -15.910 -25.395 -18.280 1.00 0.00 O ATOM 261 CB GLU A 17 -15.019 -24.215 -15.993 1.00 0.00 C ATOM 262 CG GLU A 17 -15.591 -25.497 -15.413 1.00 0.00 C ATOM 263 CD GLU A 17 -15.348 -25.623 -13.922 1.00 0.00 C ATOM 264 OE1 GLU A 17 -14.312 -25.112 -13.445 1.00 0.00 O ATOM 265 OE2 GLU A 17 -16.192 -26.231 -13.231 1.00 0.00 O ATOM 0 H GLU A 17 -17.390 -23.817 -15.342 1.00 0.00 H new ATOM 0 HA GLU A 17 -15.578 -22.477 -17.127 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -14.132 -24.455 -16.579 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -14.696 -23.569 -15.176 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -16.663 -25.532 -15.607 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -15.147 -26.352 -15.923 1.00 0.00 H new ATOM 272 N LYS A 18 -16.860 -23.547 -19.143 1.00 0.00 N ATOM 273 CA LYS A 18 -17.156 -24.167 -20.429 1.00 0.00 C ATOM 274 C LYS A 18 -15.874 -24.596 -21.135 1.00 0.00 C ATOM 275 O LYS A 18 -15.888 -25.494 -21.976 1.00 0.00 O ATOM 276 CB LYS A 18 -17.940 -23.198 -21.316 1.00 0.00 C ATOM 277 CG LYS A 18 -18.885 -23.888 -22.285 1.00 0.00 C ATOM 278 CD LYS A 18 -20.303 -23.936 -21.741 1.00 0.00 C ATOM 279 CE LYS A 18 -20.464 -25.034 -20.700 1.00 0.00 C ATOM 280 NZ LYS A 18 -20.191 -24.537 -19.323 1.00 0.00 N ATOM 0 H LYS A 18 -17.154 -22.573 -19.067 1.00 0.00 H new ATOM 0 HA LYS A 18 -17.762 -25.054 -20.246 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -18.513 -22.522 -20.682 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -17.237 -22.586 -21.881 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -18.878 -23.361 -23.239 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -18.534 -24.902 -22.478 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -20.557 -22.973 -21.298 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -21.002 -24.104 -22.560 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -21.477 -25.434 -20.748 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -19.786 -25.856 -20.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -19.446 -25.116 -18.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -19.878 -23.546 -19.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -21.058 -24.601 -18.753 1.00 0.00 H new ATOM 294 N SER A 19 -14.767 -23.948 -20.786 1.00 0.00 N ATOM 295 CA SER A 19 -13.476 -24.261 -21.388 1.00 0.00 C ATOM 296 C SER A 19 -12.554 -24.934 -20.377 1.00 0.00 C ATOM 297 O SER A 19 -12.758 -24.857 -19.165 1.00 0.00 O ATOM 298 CB SER A 19 -12.819 -22.988 -21.927 1.00 0.00 C ATOM 299 OG SER A 19 -12.910 -22.926 -23.340 1.00 0.00 O ATOM 0 H SER A 19 -14.738 -23.203 -20.090 1.00 0.00 H new ATOM 0 HA SER A 19 -13.646 -24.952 -22.214 1.00 0.00 H new ATOM 0 HB2 SER A 19 -13.301 -22.113 -21.490 1.00 0.00 H new ATOM 0 HB3 SER A 19 -11.772 -22.960 -21.625 1.00 0.00 H new ATOM 0 HG SER A 19 -12.485 -22.103 -23.659 1.00 0.00 H new ATOM 305 N PRO A 20 -11.514 -25.612 -20.885 1.00 0.00 N ATOM 306 CA PRO A 20 -10.538 -26.312 -20.044 1.00 0.00 C ATOM 307 C PRO A 20 -9.654 -25.350 -19.259 1.00 0.00 C ATOM 308 O PRO A 20 -9.033 -25.732 -18.267 1.00 0.00 O ATOM 309 CB PRO A 20 -9.703 -27.103 -21.054 1.00 0.00 C ATOM 310 CG PRO A 20 -9.830 -26.343 -22.329 1.00 0.00 C ATOM 311 CD PRO A 20 -11.210 -25.746 -22.320 1.00 0.00 C ATOM 0 HA PRO A 20 -11.021 -26.933 -19.290 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -8.662 -27.174 -20.738 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -10.074 -28.122 -21.162 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -9.069 -25.566 -22.397 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -9.694 -26.999 -23.189 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -11.234 -24.782 -22.828 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -11.930 -26.390 -22.825 1.00 0.00 H new ATOM 319 N ARG A 21 -9.601 -24.100 -19.708 1.00 0.00 N ATOM 320 CA ARG A 21 -8.792 -23.084 -19.048 1.00 0.00 C ATOM 321 C ARG A 21 -9.673 -22.090 -18.296 1.00 0.00 C ATOM 322 O ARG A 21 -9.182 -21.284 -17.507 1.00 0.00 O ATOM 323 CB ARG A 21 -7.929 -22.344 -20.071 1.00 0.00 C ATOM 324 CG ARG A 21 -7.209 -23.266 -21.041 1.00 0.00 C ATOM 325 CD ARG A 21 -7.870 -23.260 -22.411 1.00 0.00 C ATOM 326 NE ARG A 21 -7.633 -22.010 -23.128 1.00 0.00 N ATOM 327 CZ ARG A 21 -6.509 -21.741 -23.783 1.00 0.00 C ATOM 328 NH1 ARG A 21 -5.525 -22.629 -23.812 1.00 0.00 N ATOM 329 NH2 ARG A 21 -6.368 -20.581 -24.412 1.00 0.00 N ATOM 0 H ARG A 21 -10.110 -23.767 -20.527 1.00 0.00 H new ATOM 0 HA ARG A 21 -8.143 -23.584 -18.329 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -8.559 -21.657 -20.636 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -7.192 -21.740 -19.542 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -6.169 -22.955 -21.136 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -7.203 -24.281 -20.643 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -7.489 -24.094 -23.001 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -8.943 -23.414 -22.296 1.00 0.00 H new ATOM 0 HE ARG A 21 -8.370 -21.305 -23.126 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -5.630 -23.522 -23.330 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -4.663 -22.419 -24.316 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -7.123 -19.895 -24.393 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -5.505 -20.375 -24.915 1.00 0.00 H new ATOM 343 N GLU A 22 -10.977 -22.155 -18.548 1.00 0.00 N ATOM 344 CA GLU A 22 -11.925 -21.260 -17.897 1.00 0.00 C ATOM 345 C GLU A 22 -12.320 -21.793 -16.522 1.00 0.00 C ATOM 346 O GLU A 22 -12.397 -23.003 -16.312 1.00 0.00 O ATOM 347 CB GLU A 22 -13.173 -21.084 -18.764 1.00 0.00 C ATOM 348 CG GLU A 22 -13.863 -19.744 -18.573 1.00 0.00 C ATOM 349 CD GLU A 22 -15.164 -19.642 -19.346 1.00 0.00 C ATOM 350 OE1 GLU A 22 -16.177 -20.201 -18.877 1.00 0.00 O ATOM 351 OE2 GLU A 22 -15.169 -19.003 -20.419 1.00 0.00 O ATOM 0 H GLU A 22 -11.400 -22.818 -19.198 1.00 0.00 H new ATOM 0 HA GLU A 22 -11.441 -20.292 -17.768 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -12.895 -21.194 -19.812 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -13.879 -21.882 -18.536 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -14.062 -19.590 -17.512 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -13.192 -18.946 -18.891 1.00 0.00 H new ATOM 358 N VAL A 23 -12.568 -20.879 -15.589 1.00 0.00 N ATOM 359 CA VAL A 23 -12.954 -21.256 -14.234 1.00 0.00 C ATOM 360 C VAL A 23 -14.399 -20.864 -13.946 1.00 0.00 C ATOM 361 O VAL A 23 -14.922 -19.908 -14.521 1.00 0.00 O ATOM 362 CB VAL A 23 -12.037 -20.599 -13.186 1.00 0.00 C ATOM 363 CG1 VAL A 23 -10.678 -21.282 -13.162 1.00 0.00 C ATOM 364 CG2 VAL A 23 -11.890 -19.110 -13.465 1.00 0.00 C ATOM 0 H VAL A 23 -12.509 -19.873 -15.746 1.00 0.00 H new ATOM 0 HA VAL A 23 -12.853 -22.339 -14.166 1.00 0.00 H new ATOM 0 HB VAL A 23 -12.494 -20.718 -12.204 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -10.044 -20.804 -12.415 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -10.804 -22.335 -12.910 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -10.211 -21.197 -14.143 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -11.239 -18.662 -12.715 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -11.456 -18.966 -14.455 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -12.870 -18.634 -13.426 1.00 0.00 H new ATOM 374 N THR A 24 -15.042 -21.608 -13.052 1.00 0.00 N ATOM 375 CA THR A 24 -16.427 -21.340 -12.687 1.00 0.00 C ATOM 376 C THR A 24 -16.511 -20.312 -11.564 1.00 0.00 C ATOM 377 O THR A 24 -15.849 -20.448 -10.536 1.00 0.00 O ATOM 378 CB THR A 24 -17.151 -22.626 -12.246 1.00 0.00 C ATOM 379 OG1 THR A 24 -17.157 -23.577 -13.317 1.00 0.00 O ATOM 380 CG2 THR A 24 -18.581 -22.324 -11.822 1.00 0.00 C ATOM 0 H THR A 24 -14.625 -22.402 -12.567 1.00 0.00 H new ATOM 0 HA THR A 24 -16.917 -20.943 -13.576 1.00 0.00 H new ATOM 0 HB THR A 24 -16.616 -23.043 -11.393 1.00 0.00 H new ATOM 0 HG1 THR A 24 -17.631 -24.386 -13.033 1.00 0.00 H new ATOM 0 HG21 THR A 24 -19.072 -23.247 -11.515 1.00 0.00 H new ATOM 0 HG22 THR A 24 -18.573 -21.623 -10.988 1.00 0.00 H new ATOM 0 HG23 THR A 24 -19.124 -21.886 -12.659 1.00 0.00 H new ATOM 388 N MET A 25 -17.329 -19.285 -11.768 1.00 0.00 N ATOM 389 CA MET A 25 -17.501 -18.236 -10.770 1.00 0.00 C ATOM 390 C MET A 25 -18.956 -18.144 -10.322 1.00 0.00 C ATOM 391 O MET A 25 -19.875 -18.310 -11.124 1.00 0.00 O ATOM 392 CB MET A 25 -17.042 -16.889 -11.332 1.00 0.00 C ATOM 393 CG MET A 25 -17.535 -16.620 -12.744 1.00 0.00 C ATOM 394 SD MET A 25 -17.309 -14.902 -13.244 1.00 0.00 S ATOM 395 CE MET A 25 -17.388 -15.054 -15.026 1.00 0.00 C ATOM 0 H MET A 25 -17.883 -19.157 -12.615 1.00 0.00 H new ATOM 0 HA MET A 25 -16.889 -18.489 -9.904 1.00 0.00 H new ATOM 0 HB2 MET A 25 -17.392 -16.092 -10.676 1.00 0.00 H new ATOM 0 HB3 MET A 25 -15.953 -16.853 -11.323 1.00 0.00 H new ATOM 0 HG2 MET A 25 -17.004 -17.270 -13.440 1.00 0.00 H new ATOM 0 HG3 MET A 25 -18.592 -16.878 -12.811 1.00 0.00 H new ATOM 0 HE1 MET A 25 -16.941 -14.173 -15.486 1.00 0.00 H new ATOM 0 HE2 MET A 25 -16.843 -15.944 -15.340 1.00 0.00 H new ATOM 0 HE3 MET A 25 -18.429 -15.137 -15.338 1.00 0.00 H new ATOM 405 N LYS A 26 -19.159 -17.879 -9.036 1.00 0.00 N ATOM 406 CA LYS A 26 -20.502 -17.764 -8.480 1.00 0.00 C ATOM 407 C LYS A 26 -20.822 -16.315 -8.128 1.00 0.00 C ATOM 408 O LYS A 26 -19.975 -15.590 -7.605 1.00 0.00 O ATOM 409 CB LYS A 26 -20.639 -18.645 -7.237 1.00 0.00 C ATOM 410 CG LYS A 26 -21.062 -20.071 -7.546 1.00 0.00 C ATOM 411 CD LYS A 26 -21.619 -20.766 -6.315 1.00 0.00 C ATOM 412 CE LYS A 26 -22.398 -22.019 -6.687 1.00 0.00 C ATOM 413 NZ LYS A 26 -23.778 -21.698 -7.146 1.00 0.00 N ATOM 0 H LYS A 26 -18.409 -17.740 -8.358 1.00 0.00 H new ATOM 0 HA LYS A 26 -21.212 -18.101 -9.236 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -19.686 -18.664 -6.709 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -21.368 -18.197 -6.563 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -21.815 -20.066 -8.334 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -20.207 -20.631 -7.926 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -20.802 -21.030 -5.644 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -22.269 -20.080 -5.771 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -21.869 -22.555 -7.475 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -22.447 -22.685 -5.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -24.276 -22.578 -7.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -24.292 -21.209 -6.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -23.731 -21.083 -7.983 1.00 0.00 H new ATOM 427 N LYS A 27 -22.051 -15.898 -8.415 1.00 0.00 N ATOM 428 CA LYS A 27 -22.485 -14.537 -8.126 1.00 0.00 C ATOM 429 C LYS A 27 -22.190 -14.168 -6.676 1.00 0.00 C ATOM 430 O LYS A 27 -22.769 -14.735 -5.750 1.00 0.00 O ATOM 431 CB LYS A 27 -23.982 -14.386 -8.407 1.00 0.00 C ATOM 432 CG LYS A 27 -24.568 -13.080 -7.900 1.00 0.00 C ATOM 433 CD LYS A 27 -26.042 -12.958 -8.246 1.00 0.00 C ATOM 434 CE LYS A 27 -26.263 -12.956 -9.751 1.00 0.00 C ATOM 435 NZ LYS A 27 -26.517 -14.325 -10.277 1.00 0.00 N ATOM 0 H LYS A 27 -22.764 -16.484 -8.848 1.00 0.00 H new ATOM 0 HA LYS A 27 -21.930 -13.860 -8.775 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -24.150 -14.457 -9.482 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -24.515 -15.217 -7.945 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -24.441 -13.019 -6.819 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -24.021 -12.243 -8.333 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -26.592 -13.786 -7.798 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -26.443 -12.040 -7.817 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -27.108 -12.312 -9.993 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -25.388 -12.534 -10.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -25.883 -14.512 -11.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -26.341 -15.023 -9.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -27.505 -14.398 -10.592 1.00 0.00 H new ATOM 449 N GLY A 28 -21.285 -13.212 -6.485 1.00 0.00 N ATOM 450 CA GLY A 28 -20.930 -12.784 -5.145 1.00 0.00 C ATOM 451 C GLY A 28 -19.706 -13.501 -4.612 1.00 0.00 C ATOM 452 O GLY A 28 -19.438 -13.478 -3.410 1.00 0.00 O ATOM 0 H GLY A 28 -20.792 -12.727 -7.235 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -20.746 -11.710 -5.147 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -21.772 -12.962 -4.475 1.00 0.00 H new ATOM 456 N ASP A 29 -18.961 -14.142 -5.506 1.00 0.00 N ATOM 457 CA ASP A 29 -17.759 -14.871 -5.119 1.00 0.00 C ATOM 458 C ASP A 29 -16.506 -14.063 -5.442 1.00 0.00 C ATOM 459 O ASP A 29 -16.397 -13.473 -6.517 1.00 0.00 O ATOM 460 CB ASP A 29 -17.706 -16.224 -5.830 1.00 0.00 C ATOM 461 CG ASP A 29 -16.827 -17.225 -5.106 1.00 0.00 C ATOM 462 OD1 ASP A 29 -17.213 -17.663 -4.002 1.00 0.00 O ATOM 463 OD2 ASP A 29 -15.755 -17.571 -5.643 1.00 0.00 O ATOM 0 H ASP A 29 -19.169 -14.171 -6.504 1.00 0.00 H new ATOM 0 HA ASP A 29 -17.795 -15.037 -4.042 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -18.716 -16.626 -5.915 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -17.332 -16.084 -6.844 1.00 0.00 H new ATOM 468 N ILE A 30 -15.565 -14.040 -4.505 1.00 0.00 N ATOM 469 CA ILE A 30 -14.320 -13.304 -4.690 1.00 0.00 C ATOM 470 C ILE A 30 -13.227 -14.206 -5.253 1.00 0.00 C ATOM 471 O ILE A 30 -13.060 -15.345 -4.815 1.00 0.00 O ATOM 472 CB ILE A 30 -13.830 -12.686 -3.368 1.00 0.00 C ATOM 473 CG1 ILE A 30 -14.948 -11.869 -2.716 1.00 0.00 C ATOM 474 CG2 ILE A 30 -12.605 -11.817 -3.612 1.00 0.00 C ATOM 475 CD1 ILE A 30 -14.596 -11.358 -1.336 1.00 0.00 C ATOM 0 H ILE A 30 -15.641 -14.523 -3.610 1.00 0.00 H new ATOM 0 HA ILE A 30 -14.529 -12.504 -5.400 1.00 0.00 H new ATOM 0 HB ILE A 30 -13.551 -13.492 -2.689 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -15.190 -11.022 -3.358 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -15.845 -12.484 -2.649 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -12.270 -11.387 -2.668 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -11.806 -12.425 -4.037 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -12.860 -11.016 -4.306 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -15.434 -10.788 -0.934 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -14.383 -12.201 -0.679 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -13.717 -10.716 -1.399 1.00 0.00 H new ATOM 487 N LEU A 31 -12.483 -13.690 -6.225 1.00 0.00 N ATOM 488 CA LEU A 31 -11.403 -14.447 -6.847 1.00 0.00 C ATOM 489 C LEU A 31 -10.100 -13.655 -6.827 1.00 0.00 C ATOM 490 O LEU A 31 -10.082 -12.477 -6.469 1.00 0.00 O ATOM 491 CB LEU A 31 -11.771 -14.809 -8.287 1.00 0.00 C ATOM 492 CG LEU A 31 -12.486 -16.146 -8.482 1.00 0.00 C ATOM 493 CD1 LEU A 31 -13.701 -16.240 -7.571 1.00 0.00 C ATOM 494 CD2 LEU A 31 -12.893 -16.327 -9.937 1.00 0.00 C ATOM 0 H LEU A 31 -12.608 -12.750 -6.600 1.00 0.00 H new ATOM 0 HA LEU A 31 -11.258 -15.363 -6.274 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -12.406 -14.019 -8.688 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -10.858 -14.818 -8.883 1.00 0.00 H new ATOM 0 HG LEU A 31 -11.796 -16.947 -8.217 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -14.197 -17.198 -7.724 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -13.384 -16.157 -6.532 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -14.394 -15.432 -7.804 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -13.400 -17.284 -10.056 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -13.566 -15.521 -10.230 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -12.005 -16.306 -10.569 1.00 0.00 H new ATOM 506 N THR A 32 -9.010 -14.309 -7.215 1.00 0.00 N ATOM 507 CA THR A 32 -7.702 -13.666 -7.243 1.00 0.00 C ATOM 508 C THR A 32 -7.329 -13.239 -8.658 1.00 0.00 C ATOM 509 O THR A 32 -7.305 -14.057 -9.578 1.00 0.00 O ATOM 510 CB THR A 32 -6.606 -14.599 -6.694 1.00 0.00 C ATOM 511 OG1 THR A 32 -7.060 -15.237 -5.495 1.00 0.00 O ATOM 512 CG2 THR A 32 -5.328 -13.823 -6.409 1.00 0.00 C ATOM 0 H THR A 32 -9.007 -15.284 -7.514 1.00 0.00 H new ATOM 0 HA THR A 32 -7.770 -12.784 -6.607 1.00 0.00 H new ATOM 0 HB THR A 32 -6.393 -15.356 -7.449 1.00 0.00 H new ATOM 0 HG1 THR A 32 -6.358 -15.829 -5.154 1.00 0.00 H new ATOM 0 HG21 THR A 32 -4.568 -14.502 -6.022 1.00 0.00 H new ATOM 0 HG22 THR A 32 -4.969 -13.363 -7.330 1.00 0.00 H new ATOM 0 HG23 THR A 32 -5.530 -13.047 -5.671 1.00 0.00 H new ATOM 520 N LEU A 33 -7.037 -11.954 -8.825 1.00 0.00 N ATOM 521 CA LEU A 33 -6.664 -11.418 -10.130 1.00 0.00 C ATOM 522 C LEU A 33 -5.299 -11.943 -10.564 1.00 0.00 C ATOM 523 O LEU A 33 -4.335 -11.905 -9.797 1.00 0.00 O ATOM 524 CB LEU A 33 -6.645 -9.889 -10.089 1.00 0.00 C ATOM 525 CG LEU A 33 -6.882 -9.179 -11.422 1.00 0.00 C ATOM 526 CD1 LEU A 33 -5.763 -9.495 -12.401 1.00 0.00 C ATOM 527 CD2 LEU A 33 -8.231 -9.575 -12.005 1.00 0.00 C ATOM 0 H LEU A 33 -7.051 -11.264 -8.074 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.407 -11.747 -10.856 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.405 -9.555 -9.382 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.680 -9.568 -9.696 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.888 -8.104 -11.243 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.949 -8.981 -13.344 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.812 -9.161 -11.987 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.725 -10.570 -12.575 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -8.383 -9.060 -12.954 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.254 -10.652 -12.169 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -9.023 -9.297 -11.310 1.00 0.00 H new ATOM 539 N LEU A 34 -5.223 -12.430 -11.797 1.00 0.00 N ATOM 540 CA LEU A 34 -3.975 -12.961 -12.335 1.00 0.00 C ATOM 541 C LEU A 34 -3.494 -12.128 -13.519 1.00 0.00 C ATOM 542 O LEU A 34 -2.321 -11.766 -13.600 1.00 0.00 O ATOM 543 CB LEU A 34 -4.160 -14.418 -12.763 1.00 0.00 C ATOM 544 CG LEU A 34 -3.862 -15.474 -11.698 1.00 0.00 C ATOM 545 CD1 LEU A 34 -2.386 -15.459 -11.330 1.00 0.00 C ATOM 546 CD2 LEU A 34 -4.722 -15.244 -10.464 1.00 0.00 C ATOM 0 H LEU A 34 -6.011 -12.468 -12.444 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.220 -12.913 -11.550 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.189 -14.549 -13.098 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.518 -14.607 -13.623 1.00 0.00 H new ATOM 0 HG LEU A 34 -4.104 -16.454 -12.108 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.193 -16.217 -10.571 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.788 -15.672 -12.216 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.118 -14.477 -10.939 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -4.497 -16.005 -9.717 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -4.511 -14.257 -10.052 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -5.775 -15.305 -10.738 1.00 0.00 H new ATOM 558 N ASN A 35 -4.410 -11.826 -14.434 1.00 0.00 N ATOM 559 CA ASN A 35 -4.079 -11.034 -15.613 1.00 0.00 C ATOM 560 C ASN A 35 -5.315 -10.321 -16.153 1.00 0.00 C ATOM 561 O ASN A 35 -6.213 -10.951 -16.712 1.00 0.00 O ATOM 562 CB ASN A 35 -3.476 -11.926 -16.700 1.00 0.00 C ATOM 563 CG ASN A 35 -3.028 -11.136 -17.914 1.00 0.00 C ATOM 564 OD1 ASN A 35 -3.983 -10.738 -18.746 1.00 0.00 O flip ATOM 565 ND2 ASN A 35 -1.837 -10.886 -18.100 1.00 0.00 N flip ATOM 0 H ASN A 35 -5.386 -12.117 -14.382 1.00 0.00 H new ATOM 0 HA ASN A 35 -3.345 -10.282 -15.321 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -2.625 -12.469 -16.289 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -4.212 -12.670 -17.005 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -1.137 -11.212 -17.433 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -1.550 -10.353 -18.921 1.00 0.00 H new ATOM 572 N SER A 36 -5.354 -9.004 -15.982 1.00 0.00 N ATOM 573 CA SER A 36 -6.481 -8.205 -16.449 1.00 0.00 C ATOM 574 C SER A 36 -6.071 -7.322 -17.624 1.00 0.00 C ATOM 575 O SER A 36 -6.516 -6.180 -17.744 1.00 0.00 O ATOM 576 CB SER A 36 -7.026 -7.339 -15.312 1.00 0.00 C ATOM 577 OG SER A 36 -5.974 -6.828 -14.511 1.00 0.00 O ATOM 0 H SER A 36 -4.618 -8.467 -15.523 1.00 0.00 H new ATOM 0 HA SER A 36 -7.263 -8.886 -16.784 1.00 0.00 H new ATOM 0 HB2 SER A 36 -7.606 -6.514 -15.725 1.00 0.00 H new ATOM 0 HB3 SER A 36 -7.704 -7.928 -14.695 1.00 0.00 H new ATOM 0 HG SER A 36 -6.348 -6.277 -13.792 1.00 0.00 H new ATOM 583 N THR A 37 -5.218 -7.859 -18.491 1.00 0.00 N ATOM 584 CA THR A 37 -4.746 -7.121 -19.656 1.00 0.00 C ATOM 585 C THR A 37 -5.592 -7.433 -20.884 1.00 0.00 C ATOM 586 O THR A 37 -5.091 -7.451 -22.007 1.00 0.00 O ATOM 587 CB THR A 37 -3.272 -7.445 -19.966 1.00 0.00 C ATOM 588 OG1 THR A 37 -2.563 -7.714 -18.752 1.00 0.00 O ATOM 589 CG2 THR A 37 -2.608 -6.291 -20.702 1.00 0.00 C ATOM 0 H THR A 37 -4.840 -8.803 -18.408 1.00 0.00 H new ATOM 0 HA THR A 37 -4.835 -6.061 -19.417 1.00 0.00 H new ATOM 0 HB THR A 37 -3.244 -8.328 -20.605 1.00 0.00 H new ATOM 0 HG1 THR A 37 -1.628 -7.921 -18.958 1.00 0.00 H new ATOM 0 HG21 THR A 37 -1.568 -6.543 -20.910 1.00 0.00 H new ATOM 0 HG22 THR A 37 -3.132 -6.108 -21.640 1.00 0.00 H new ATOM 0 HG23 THR A 37 -2.648 -5.394 -20.084 1.00 0.00 H new ATOM 597 N ASN A 38 -6.880 -7.678 -20.663 1.00 0.00 N ATOM 598 CA ASN A 38 -7.797 -7.989 -21.754 1.00 0.00 C ATOM 599 C ASN A 38 -9.238 -7.686 -21.356 1.00 0.00 C ATOM 600 O ASN A 38 -9.879 -8.470 -20.656 1.00 0.00 O ATOM 601 CB ASN A 38 -7.666 -9.460 -22.154 1.00 0.00 C ATOM 602 CG ASN A 38 -7.446 -9.636 -23.645 1.00 0.00 C ATOM 603 OD1 ASN A 38 -6.397 -10.113 -24.077 1.00 0.00 O ATOM 604 ND2 ASN A 38 -8.439 -9.250 -24.438 1.00 0.00 N ATOM 0 H ASN A 38 -7.312 -7.667 -19.739 1.00 0.00 H new ATOM 0 HA ASN A 38 -7.534 -7.362 -22.606 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -6.834 -9.909 -21.611 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -8.567 -9.996 -21.857 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -8.350 -9.344 -25.450 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -9.291 -8.860 -24.035 1.00 0.00 H new ATOM 611 N LYS A 39 -9.743 -6.543 -21.807 1.00 0.00 N ATOM 612 CA LYS A 39 -11.109 -6.135 -21.501 1.00 0.00 C ATOM 613 C LYS A 39 -12.093 -7.261 -21.800 1.00 0.00 C ATOM 614 O LYS A 39 -13.135 -7.374 -21.155 1.00 0.00 O ATOM 615 CB LYS A 39 -11.483 -4.889 -22.307 1.00 0.00 C ATOM 616 CG LYS A 39 -11.414 -5.093 -23.810 1.00 0.00 C ATOM 617 CD LYS A 39 -11.388 -3.768 -24.553 1.00 0.00 C ATOM 618 CE LYS A 39 -12.679 -2.990 -24.352 1.00 0.00 C ATOM 619 NZ LYS A 39 -12.597 -1.620 -24.929 1.00 0.00 N ATOM 0 H LYS A 39 -9.226 -5.882 -22.387 1.00 0.00 H new ATOM 0 HA LYS A 39 -11.163 -5.902 -20.437 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -12.493 -4.582 -22.037 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -10.816 -4.073 -22.029 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -10.522 -5.668 -24.059 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -12.273 -5.678 -24.138 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -10.545 -3.171 -24.205 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -11.233 -3.949 -25.617 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -13.504 -3.530 -24.815 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -12.900 -2.923 -23.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -13.497 -1.122 -24.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -11.826 -1.095 -24.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -12.411 -1.684 -25.950 1.00 0.00 H new ATOM 633 N ASP A 40 -11.754 -8.092 -22.780 1.00 0.00 N ATOM 634 CA ASP A 40 -12.607 -9.212 -23.162 1.00 0.00 C ATOM 635 C ASP A 40 -12.701 -10.233 -22.033 1.00 0.00 C ATOM 636 O ASP A 40 -13.740 -10.363 -21.386 1.00 0.00 O ATOM 637 CB ASP A 40 -12.069 -9.881 -24.428 1.00 0.00 C ATOM 638 CG ASP A 40 -11.910 -8.904 -25.576 1.00 0.00 C ATOM 639 OD1 ASP A 40 -12.379 -7.754 -25.446 1.00 0.00 O ATOM 640 OD2 ASP A 40 -11.317 -9.289 -26.605 1.00 0.00 O ATOM 0 H ASP A 40 -10.895 -8.011 -23.324 1.00 0.00 H new ATOM 0 HA ASP A 40 -13.606 -8.825 -23.361 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -11.105 -10.342 -24.211 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -12.745 -10.682 -24.727 1.00 0.00 H new ATOM 645 N TRP A 41 -11.611 -10.955 -21.803 1.00 0.00 N ATOM 646 CA TRP A 41 -11.571 -11.966 -20.752 1.00 0.00 C ATOM 647 C TRP A 41 -10.456 -11.672 -19.755 1.00 0.00 C ATOM 648 O TRP A 41 -9.366 -11.246 -20.137 1.00 0.00 O ATOM 649 CB TRP A 41 -11.374 -13.356 -21.360 1.00 0.00 C ATOM 650 CG TRP A 41 -12.370 -13.682 -22.432 1.00 0.00 C ATOM 651 CD1 TRP A 41 -12.394 -13.191 -23.706 1.00 0.00 C ATOM 652 CD2 TRP A 41 -13.488 -14.569 -22.321 1.00 0.00 C ATOM 653 NE1 TRP A 41 -13.459 -13.720 -24.394 1.00 0.00 N ATOM 654 CE2 TRP A 41 -14.146 -14.569 -23.567 1.00 0.00 C ATOM 655 CE3 TRP A 41 -13.997 -15.366 -21.292 1.00 0.00 C ATOM 656 CZ2 TRP A 41 -15.284 -15.333 -23.808 1.00 0.00 C ATOM 657 CZ3 TRP A 41 -15.128 -16.123 -21.532 1.00 0.00 C ATOM 658 CH2 TRP A 41 -15.761 -16.103 -22.782 1.00 0.00 C ATOM 0 H TRP A 41 -10.743 -10.860 -22.330 1.00 0.00 H new ATOM 0 HA TRP A 41 -12.523 -11.940 -20.222 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -10.369 -13.424 -21.775 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -11.444 -14.104 -20.570 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -11.681 -12.490 -24.113 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -13.699 -13.514 -25.364 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -13.515 -15.390 -20.326 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -15.773 -15.319 -24.771 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -15.531 -16.740 -20.743 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -16.642 -16.707 -22.939 1.00 0.00 H new ATOM 669 N TRP A 42 -10.736 -11.900 -18.477 1.00 0.00 N ATOM 670 CA TRP A 42 -9.755 -11.659 -17.425 1.00 0.00 C ATOM 671 C TRP A 42 -9.323 -12.968 -16.773 1.00 0.00 C ATOM 672 O TRP A 42 -10.139 -13.863 -16.552 1.00 0.00 O ATOM 673 CB TRP A 42 -10.331 -10.715 -16.369 1.00 0.00 C ATOM 674 CG TRP A 42 -10.345 -9.280 -16.799 1.00 0.00 C ATOM 675 CD1 TRP A 42 -9.620 -8.721 -17.812 1.00 0.00 C ATOM 676 CD2 TRP A 42 -11.122 -8.221 -16.228 1.00 0.00 C ATOM 677 NE1 TRP A 42 -9.899 -7.378 -17.905 1.00 0.00 N ATOM 678 CE2 TRP A 42 -10.818 -7.048 -16.945 1.00 0.00 C ATOM 679 CE3 TRP A 42 -12.046 -8.151 -15.182 1.00 0.00 C ATOM 680 CZ2 TRP A 42 -11.405 -5.821 -16.647 1.00 0.00 C ATOM 681 CZ3 TRP A 42 -12.628 -6.933 -14.888 1.00 0.00 C ATOM 682 CH2 TRP A 42 -12.306 -5.781 -15.618 1.00 0.00 C ATOM 0 H TRP A 42 -11.634 -12.251 -18.144 1.00 0.00 H new ATOM 0 HA TRP A 42 -8.879 -11.195 -17.879 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -11.348 -11.025 -16.131 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -9.747 -10.807 -15.453 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -8.929 -9.255 -18.447 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -9.488 -6.732 -18.579 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -12.301 -9.033 -14.614 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -11.158 -4.932 -17.208 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -13.343 -6.868 -14.082 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -12.778 -4.844 -15.364 1.00 0.00 H new ATOM 693 N LYS A 43 -8.034 -13.075 -16.468 1.00 0.00 N ATOM 694 CA LYS A 43 -7.493 -14.274 -15.840 1.00 0.00 C ATOM 695 C LYS A 43 -7.475 -14.132 -14.321 1.00 0.00 C ATOM 696 O LYS A 43 -6.971 -13.145 -13.786 1.00 0.00 O ATOM 697 CB LYS A 43 -6.078 -14.550 -16.353 1.00 0.00 C ATOM 698 CG LYS A 43 -5.914 -15.924 -16.980 1.00 0.00 C ATOM 699 CD LYS A 43 -6.006 -15.860 -18.495 1.00 0.00 C ATOM 700 CE LYS A 43 -5.187 -16.962 -19.150 1.00 0.00 C ATOM 701 NZ LYS A 43 -3.754 -16.582 -19.286 1.00 0.00 N ATOM 0 H LYS A 43 -7.344 -12.345 -16.646 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.138 -15.113 -16.102 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.813 -13.791 -17.089 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -5.375 -14.451 -15.526 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -4.951 -16.344 -16.691 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -6.683 -16.594 -16.596 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -7.048 -15.949 -18.801 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -5.654 -14.888 -18.841 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -5.266 -17.874 -18.558 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -5.599 -17.184 -20.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -3.230 -17.359 -19.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -3.676 -15.726 -19.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -3.354 -16.395 -18.345 1.00 0.00 H new ATOM 715 N VAL A 44 -8.028 -15.126 -13.632 1.00 0.00 N ATOM 716 CA VAL A 44 -8.073 -15.113 -12.175 1.00 0.00 C ATOM 717 C VAL A 44 -7.919 -16.519 -11.607 1.00 0.00 C ATOM 718 O VAL A 44 -7.709 -17.478 -12.349 1.00 0.00 O ATOM 719 CB VAL A 44 -9.392 -14.505 -11.660 1.00 0.00 C ATOM 720 CG1 VAL A 44 -9.594 -13.108 -12.226 1.00 0.00 C ATOM 721 CG2 VAL A 44 -10.566 -15.407 -12.011 1.00 0.00 C ATOM 0 H VAL A 44 -8.451 -15.950 -14.060 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.240 -14.496 -11.838 1.00 0.00 H new ATOM 0 HB VAL A 44 -9.336 -14.425 -10.574 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -10.531 -12.695 -11.851 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -8.767 -12.468 -11.919 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -9.630 -13.158 -13.314 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -11.490 -14.963 -11.640 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -10.627 -15.520 -13.093 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -10.424 -16.385 -11.551 1.00 0.00 H new ATOM 731 N GLU A 45 -8.024 -16.634 -10.287 1.00 0.00 N ATOM 732 CA GLU A 45 -7.896 -17.924 -9.621 1.00 0.00 C ATOM 733 C GLU A 45 -9.026 -18.133 -8.616 1.00 0.00 C ATOM 734 O GLU A 45 -9.459 -17.194 -7.949 1.00 0.00 O ATOM 735 CB GLU A 45 -6.544 -18.024 -8.911 1.00 0.00 C ATOM 736 CG GLU A 45 -6.293 -19.377 -8.267 1.00 0.00 C ATOM 737 CD GLU A 45 -5.149 -19.347 -7.272 1.00 0.00 C ATOM 738 OE1 GLU A 45 -5.173 -18.489 -6.365 1.00 0.00 O ATOM 739 OE2 GLU A 45 -4.229 -20.181 -7.402 1.00 0.00 O ATOM 0 H GLU A 45 -8.197 -15.850 -9.658 1.00 0.00 H new ATOM 0 HA GLU A 45 -7.959 -18.703 -10.380 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -5.750 -17.820 -9.629 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -6.487 -17.250 -8.145 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -7.200 -19.708 -7.762 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -6.075 -20.110 -9.044 1.00 0.00 H new ATOM 746 N VAL A 46 -9.499 -19.371 -8.516 1.00 0.00 N ATOM 747 CA VAL A 46 -10.578 -19.705 -7.594 1.00 0.00 C ATOM 748 C VAL A 46 -10.099 -20.668 -6.514 1.00 0.00 C ATOM 749 O VAL A 46 -8.977 -21.172 -6.568 1.00 0.00 O ATOM 750 CB VAL A 46 -11.774 -20.332 -8.333 1.00 0.00 C ATOM 751 CG1 VAL A 46 -12.255 -19.414 -9.446 1.00 0.00 C ATOM 752 CG2 VAL A 46 -11.402 -21.701 -8.883 1.00 0.00 C ATOM 0 H VAL A 46 -9.152 -20.159 -9.062 1.00 0.00 H new ATOM 0 HA VAL A 46 -10.897 -18.772 -7.129 1.00 0.00 H new ATOM 0 HB VAL A 46 -12.591 -20.461 -7.623 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -13.101 -19.874 -9.957 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -12.563 -18.458 -9.022 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -11.446 -19.251 -10.158 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -12.259 -22.130 -9.402 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -10.570 -21.599 -9.579 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -11.110 -22.356 -8.062 1.00 0.00 H new ATOM 762 N LYS A 47 -10.958 -20.922 -5.532 1.00 0.00 N ATOM 763 CA LYS A 47 -10.626 -21.827 -4.439 1.00 0.00 C ATOM 764 C LYS A 47 -11.570 -23.025 -4.418 1.00 0.00 C ATOM 765 O LYS A 47 -12.771 -22.885 -4.648 1.00 0.00 O ATOM 766 CB LYS A 47 -10.691 -21.089 -3.100 1.00 0.00 C ATOM 767 CG LYS A 47 -9.371 -20.462 -2.686 1.00 0.00 C ATOM 768 CD LYS A 47 -9.558 -19.469 -1.551 1.00 0.00 C ATOM 769 CE LYS A 47 -9.639 -20.171 -0.204 1.00 0.00 C ATOM 770 NZ LYS A 47 -10.167 -19.272 0.859 1.00 0.00 N ATOM 0 H LYS A 47 -11.890 -20.513 -5.471 1.00 0.00 H new ATOM 0 HA LYS A 47 -9.611 -22.190 -4.597 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -11.451 -20.310 -3.161 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -11.011 -21.786 -2.326 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -8.677 -21.243 -2.377 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -8.922 -19.958 -3.542 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -8.729 -18.762 -1.545 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -10.468 -18.892 -1.717 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -10.281 -21.048 -0.290 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -8.649 -20.527 0.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -10.207 -19.787 1.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -9.541 -18.447 0.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -11.122 -18.952 0.600 1.00 0.00 H new ATOM 784 N ALA A 48 -11.020 -24.202 -4.138 1.00 0.00 N ATOM 785 CA ALA A 48 -11.815 -25.423 -4.083 1.00 0.00 C ATOM 786 C ALA A 48 -11.896 -25.962 -2.659 1.00 0.00 C ATOM 787 O ALA A 48 -11.297 -25.405 -1.738 1.00 0.00 O ATOM 788 CB ALA A 48 -11.231 -26.475 -5.015 1.00 0.00 C ATOM 0 H ALA A 48 -10.027 -24.336 -3.946 1.00 0.00 H new ATOM 0 HA ALA A 48 -12.827 -25.184 -4.411 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -11.834 -27.381 -4.964 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -11.231 -26.096 -6.037 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -10.209 -26.702 -4.712 1.00 0.00 H new ATOM 794 N THR A 49 -12.642 -27.048 -2.483 1.00 0.00 N ATOM 795 CA THR A 49 -12.803 -27.661 -1.171 1.00 0.00 C ATOM 796 C THR A 49 -12.945 -29.174 -1.284 1.00 0.00 C ATOM 797 O THR A 49 -13.678 -29.676 -2.136 1.00 0.00 O ATOM 798 CB THR A 49 -14.032 -27.095 -0.434 1.00 0.00 C ATOM 799 OG1 THR A 49 -15.075 -26.804 -1.372 1.00 0.00 O ATOM 800 CG2 THR A 49 -13.669 -25.834 0.335 1.00 0.00 C ATOM 0 H THR A 49 -13.145 -27.521 -3.234 1.00 0.00 H new ATOM 0 HA THR A 49 -11.905 -27.425 -0.600 1.00 0.00 H new ATOM 0 HB THR A 49 -14.380 -27.846 0.275 1.00 0.00 H new ATOM 0 HG1 THR A 49 -15.853 -26.446 -0.895 1.00 0.00 H new ATOM 0 HG21 THR A 49 -14.553 -25.453 0.847 1.00 0.00 H new ATOM 0 HG22 THR A 49 -12.896 -26.065 1.068 1.00 0.00 H new ATOM 0 HG23 THR A 49 -13.298 -25.079 -0.358 1.00 0.00 H new ATOM 808 N ALA A 50 -12.240 -29.896 -0.420 1.00 0.00 N ATOM 809 CA ALA A 50 -12.290 -31.353 -0.422 1.00 0.00 C ATOM 810 C ALA A 50 -11.427 -31.934 0.694 1.00 0.00 C ATOM 811 O ALA A 50 -10.321 -31.459 0.946 1.00 0.00 O ATOM 812 CB ALA A 50 -11.844 -31.895 -1.772 1.00 0.00 C ATOM 0 H ALA A 50 -11.627 -29.496 0.291 1.00 0.00 H new ATOM 0 HA ALA A 50 -13.322 -31.656 -0.244 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -11.886 -32.984 -1.759 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -12.504 -31.516 -2.552 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -10.822 -31.574 -1.973 1.00 0.00 H new ATOM 818 N ASN A 51 -11.942 -32.963 1.359 1.00 0.00 N ATOM 819 CA ASN A 51 -11.219 -33.607 2.449 1.00 0.00 C ATOM 820 C ASN A 51 -10.776 -32.582 3.489 1.00 0.00 C ATOM 821 O ASN A 51 -9.651 -32.633 3.986 1.00 0.00 O ATOM 822 CB ASN A 51 -10.001 -34.359 1.907 1.00 0.00 C ATOM 823 CG ASN A 51 -10.390 -35.545 1.046 1.00 0.00 C ATOM 824 OD1 ASN A 51 -10.528 -36.665 1.539 1.00 0.00 O ATOM 825 ND2 ASN A 51 -10.570 -35.304 -0.247 1.00 0.00 N ATOM 0 H ASN A 51 -12.857 -33.368 1.162 1.00 0.00 H new ATOM 0 HA ASN A 51 -11.893 -34.317 2.929 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -9.386 -33.675 1.322 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -9.390 -34.704 2.741 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -10.834 -36.063 -0.875 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -10.445 -34.360 -0.612 1.00 0.00 H new ATOM 832 N ASP A 52 -11.669 -31.653 3.813 1.00 0.00 N ATOM 833 CA ASP A 52 -11.372 -30.617 4.795 1.00 0.00 C ATOM 834 C ASP A 52 -10.158 -29.796 4.368 1.00 0.00 C ATOM 835 O ASP A 52 -9.462 -29.217 5.203 1.00 0.00 O ATOM 836 CB ASP A 52 -11.123 -31.242 6.168 1.00 0.00 C ATOM 837 CG ASP A 52 -12.054 -32.404 6.453 1.00 0.00 C ATOM 838 OD1 ASP A 52 -13.247 -32.310 6.094 1.00 0.00 O ATOM 839 OD2 ASP A 52 -11.590 -33.407 7.032 1.00 0.00 O ATOM 0 H ASP A 52 -12.604 -31.596 3.410 1.00 0.00 H new ATOM 0 HA ASP A 52 -12.234 -29.953 4.858 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -10.090 -31.585 6.226 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -11.250 -30.481 6.938 1.00 0.00 H new ATOM 844 N LYS A 53 -9.909 -29.751 3.064 1.00 0.00 N ATOM 845 CA LYS A 53 -8.780 -29.002 2.525 1.00 0.00 C ATOM 846 C LYS A 53 -9.233 -28.061 1.414 1.00 0.00 C ATOM 847 O LYS A 53 -10.251 -28.296 0.762 1.00 0.00 O ATOM 848 CB LYS A 53 -7.713 -29.961 1.993 1.00 0.00 C ATOM 849 CG LYS A 53 -6.706 -30.395 3.044 1.00 0.00 C ATOM 850 CD LYS A 53 -5.378 -30.784 2.417 1.00 0.00 C ATOM 851 CE LYS A 53 -4.486 -31.515 3.410 1.00 0.00 C ATOM 852 NZ LYS A 53 -3.153 -31.833 2.828 1.00 0.00 N ATOM 0 H LYS A 53 -10.475 -30.225 2.360 1.00 0.00 H new ATOM 0 HA LYS A 53 -8.353 -28.405 3.331 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -8.202 -30.845 1.584 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -7.183 -29.481 1.170 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -6.550 -29.585 3.756 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -7.106 -31.240 3.605 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -5.556 -31.420 1.550 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -4.868 -29.890 2.058 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -4.356 -30.901 4.302 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -4.974 -32.437 3.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -2.575 -32.331 3.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -3.275 -32.439 1.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -2.676 -30.951 2.550 1.00 0.00 H new ATOM 866 N THR A 54 -8.469 -26.993 1.201 1.00 0.00 N ATOM 867 CA THR A 54 -8.791 -26.017 0.168 1.00 0.00 C ATOM 868 C THR A 54 -7.747 -26.026 -0.942 1.00 0.00 C ATOM 869 O THR A 54 -6.547 -26.110 -0.679 1.00 0.00 O ATOM 870 CB THR A 54 -8.892 -24.595 0.751 1.00 0.00 C ATOM 871 OG1 THR A 54 -9.649 -24.616 1.966 1.00 0.00 O ATOM 872 CG2 THR A 54 -9.545 -23.647 -0.243 1.00 0.00 C ATOM 0 H THR A 54 -7.623 -26.783 1.731 1.00 0.00 H new ATOM 0 HA THR A 54 -9.759 -26.302 -0.245 1.00 0.00 H new ATOM 0 HB THR A 54 -7.883 -24.239 0.958 1.00 0.00 H new ATOM 0 HG1 THR A 54 -9.707 -23.708 2.331 1.00 0.00 H new ATOM 0 HG21 THR A 54 -9.605 -22.649 0.191 1.00 0.00 H new ATOM 0 HG22 THR A 54 -8.950 -23.610 -1.156 1.00 0.00 H new ATOM 0 HG23 THR A 54 -10.549 -24.001 -0.478 1.00 0.00 H new ATOM 880 N TYR A 55 -8.210 -25.938 -2.184 1.00 0.00 N ATOM 881 CA TYR A 55 -7.315 -25.938 -3.335 1.00 0.00 C ATOM 882 C TYR A 55 -7.369 -24.601 -4.067 1.00 0.00 C ATOM 883 O TYR A 55 -8.144 -23.716 -3.708 1.00 0.00 O ATOM 884 CB TYR A 55 -7.683 -27.072 -4.294 1.00 0.00 C ATOM 885 CG TYR A 55 -7.578 -28.447 -3.675 1.00 0.00 C ATOM 886 CD1 TYR A 55 -6.346 -29.076 -3.538 1.00 0.00 C ATOM 887 CD2 TYR A 55 -8.709 -29.118 -3.228 1.00 0.00 C ATOM 888 CE1 TYR A 55 -6.244 -30.333 -2.973 1.00 0.00 C ATOM 889 CE2 TYR A 55 -8.617 -30.375 -2.661 1.00 0.00 C ATOM 890 CZ TYR A 55 -7.382 -30.978 -2.536 1.00 0.00 C ATOM 891 OH TYR A 55 -7.286 -32.230 -1.973 1.00 0.00 O ATOM 0 H TYR A 55 -9.200 -25.866 -2.419 1.00 0.00 H new ATOM 0 HA TYR A 55 -6.299 -26.093 -2.973 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -8.702 -26.920 -4.649 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -7.031 -27.025 -5.166 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -5.453 -28.574 -3.879 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -9.677 -28.649 -3.325 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -5.279 -30.807 -2.874 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -9.506 -30.882 -2.318 1.00 0.00 H new ATOM 0 HH TYR A 55 -8.179 -32.543 -1.718 1.00 0.00 H new ATOM 901 N GLU A 56 -6.538 -24.463 -5.096 1.00 0.00 N ATOM 902 CA GLU A 56 -6.490 -23.233 -5.878 1.00 0.00 C ATOM 903 C GLU A 56 -6.388 -23.541 -7.370 1.00 0.00 C ATOM 904 O GLU A 56 -5.450 -24.202 -7.815 1.00 0.00 O ATOM 905 CB GLU A 56 -5.304 -22.371 -5.443 1.00 0.00 C ATOM 906 CG GLU A 56 -5.151 -22.263 -3.935 1.00 0.00 C ATOM 907 CD GLU A 56 -4.091 -21.259 -3.526 1.00 0.00 C ATOM 908 OE1 GLU A 56 -3.820 -20.329 -4.315 1.00 0.00 O ATOM 909 OE2 GLU A 56 -3.533 -21.402 -2.418 1.00 0.00 O ATOM 0 H GLU A 56 -5.890 -25.187 -5.407 1.00 0.00 H new ATOM 0 HA GLU A 56 -7.414 -22.683 -5.699 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.389 -22.788 -5.864 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -5.420 -21.371 -5.861 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -6.107 -21.976 -3.496 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -4.895 -23.242 -3.529 1.00 0.00 H new ATOM 916 N ARG A 57 -7.361 -23.058 -8.135 1.00 0.00 N ATOM 917 CA ARG A 57 -7.383 -23.282 -9.576 1.00 0.00 C ATOM 918 C ARG A 57 -7.210 -21.969 -10.333 1.00 0.00 C ATOM 919 O ARG A 57 -7.907 -20.991 -10.065 1.00 0.00 O ATOM 920 CB ARG A 57 -8.694 -23.953 -9.989 1.00 0.00 C ATOM 921 CG ARG A 57 -8.749 -24.326 -11.462 1.00 0.00 C ATOM 922 CD ARG A 57 -10.177 -24.582 -11.918 1.00 0.00 C ATOM 923 NE ARG A 57 -10.373 -25.962 -12.355 1.00 0.00 N ATOM 924 CZ ARG A 57 -10.556 -26.978 -11.519 1.00 0.00 C ATOM 925 NH1 ARG A 57 -10.569 -26.770 -10.210 1.00 0.00 N ATOM 926 NH2 ARG A 57 -10.728 -28.206 -11.994 1.00 0.00 N ATOM 0 H ARG A 57 -8.145 -22.509 -7.781 1.00 0.00 H new ATOM 0 HA ARG A 57 -6.551 -23.939 -9.829 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -8.837 -24.852 -9.390 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -9.523 -23.283 -9.761 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -8.314 -23.524 -12.058 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -8.145 -25.217 -11.636 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -10.864 -24.359 -11.101 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -10.424 -23.904 -12.735 1.00 0.00 H new ATOM 0 HE ARG A 57 -10.369 -26.156 -13.356 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -10.438 -25.828 -9.842 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -10.710 -27.552 -9.571 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -10.720 -28.369 -13.001 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -10.868 -28.986 -11.352 1.00 0.00 H new ATOM 940 N GLN A 58 -6.276 -21.956 -11.279 1.00 0.00 N ATOM 941 CA GLN A 58 -6.012 -20.763 -12.074 1.00 0.00 C ATOM 942 C GLN A 58 -6.609 -20.896 -13.472 1.00 0.00 C ATOM 943 O GLN A 58 -6.255 -21.803 -14.224 1.00 0.00 O ATOM 944 CB GLN A 58 -4.506 -20.512 -12.172 1.00 0.00 C ATOM 945 CG GLN A 58 -3.931 -19.787 -10.966 1.00 0.00 C ATOM 946 CD GLN A 58 -3.088 -20.691 -10.088 1.00 0.00 C ATOM 947 OE1 GLN A 58 -3.417 -21.860 -9.885 1.00 0.00 O ATOM 948 NE2 GLN A 58 -1.994 -20.154 -9.562 1.00 0.00 N ATOM 0 H GLN A 58 -5.690 -22.758 -11.513 1.00 0.00 H new ATOM 0 HA GLN A 58 -6.483 -19.915 -11.577 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -3.994 -21.467 -12.290 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -4.301 -19.927 -13.069 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -3.323 -18.949 -11.307 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -4.746 -19.370 -10.375 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -1.759 -19.181 -9.757 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -1.388 -20.715 -8.963 1.00 0.00 H new ATOM 957 N GLY A 59 -7.516 -19.986 -13.812 1.00 0.00 N ATOM 958 CA GLY A 59 -8.148 -20.021 -15.118 1.00 0.00 C ATOM 959 C GLY A 59 -8.538 -18.641 -15.610 1.00 0.00 C ATOM 960 O GLY A 59 -8.053 -17.632 -15.099 1.00 0.00 O ATOM 0 H GLY A 59 -7.825 -19.225 -13.207 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -7.468 -20.480 -15.835 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -9.036 -20.651 -15.072 1.00 0.00 H new ATOM 964 N PHE A 60 -9.416 -18.597 -16.606 1.00 0.00 N ATOM 965 CA PHE A 60 -9.870 -17.330 -17.170 1.00 0.00 C ATOM 966 C PHE A 60 -11.390 -17.220 -17.106 1.00 0.00 C ATOM 967 O PHE A 60 -12.087 -18.211 -16.888 1.00 0.00 O ATOM 968 CB PHE A 60 -9.398 -17.194 -18.619 1.00 0.00 C ATOM 969 CG PHE A 60 -10.217 -17.991 -19.594 1.00 0.00 C ATOM 970 CD1 PHE A 60 -9.926 -19.324 -19.836 1.00 0.00 C ATOM 971 CD2 PHE A 60 -11.279 -17.408 -20.266 1.00 0.00 C ATOM 972 CE1 PHE A 60 -10.678 -20.059 -20.733 1.00 0.00 C ATOM 973 CE2 PHE A 60 -12.034 -18.139 -21.164 1.00 0.00 C ATOM 974 CZ PHE A 60 -11.734 -19.466 -21.397 1.00 0.00 C ATOM 0 H PHE A 60 -9.828 -19.423 -17.040 1.00 0.00 H new ATOM 0 HA PHE A 60 -9.440 -16.522 -16.578 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -9.428 -16.143 -18.905 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -8.358 -17.512 -18.685 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -9.103 -19.794 -19.318 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -11.520 -16.371 -20.086 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -10.440 -21.097 -20.915 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -12.858 -17.672 -21.683 1.00 0.00 H new ATOM 0 HZ PHE A 60 -12.324 -20.039 -22.097 1.00 0.00 H new ATOM 984 N VAL A 61 -11.898 -16.006 -17.297 1.00 0.00 N ATOM 985 CA VAL A 61 -13.335 -15.765 -17.262 1.00 0.00 C ATOM 986 C VAL A 61 -13.695 -14.481 -18.001 1.00 0.00 C ATOM 987 O VAL A 61 -12.862 -13.597 -18.203 1.00 0.00 O ATOM 988 CB VAL A 61 -13.854 -15.673 -15.815 1.00 0.00 C ATOM 989 CG1 VAL A 61 -14.186 -17.057 -15.278 1.00 0.00 C ATOM 990 CG2 VAL A 61 -12.833 -14.979 -14.926 1.00 0.00 C ATOM 0 H VAL A 61 -11.335 -15.175 -17.477 1.00 0.00 H new ATOM 0 HA VAL A 61 -13.810 -16.612 -17.757 1.00 0.00 H new ATOM 0 HB VAL A 61 -14.768 -15.079 -15.812 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -14.551 -16.972 -14.254 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -14.955 -17.514 -15.901 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -13.290 -17.678 -15.293 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -13.216 -14.923 -13.907 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -11.901 -15.544 -14.932 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -12.649 -13.972 -15.301 1.00 0.00 H new ATOM 1000 N PRO A 62 -14.966 -14.372 -18.415 1.00 0.00 N ATOM 1001 CA PRO A 62 -15.466 -13.199 -19.138 1.00 0.00 C ATOM 1002 C PRO A 62 -15.547 -11.962 -18.249 1.00 0.00 C ATOM 1003 O PRO A 62 -16.166 -11.989 -17.186 1.00 0.00 O ATOM 1004 CB PRO A 62 -16.866 -13.628 -19.585 1.00 0.00 C ATOM 1005 CG PRO A 62 -17.275 -14.670 -18.602 1.00 0.00 C ATOM 1006 CD PRO A 62 -16.014 -15.387 -18.209 1.00 0.00 C ATOM 0 HA PRO A 62 -14.809 -12.916 -19.960 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -17.558 -12.786 -19.580 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -16.853 -14.025 -20.600 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -17.755 -14.220 -17.733 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -17.995 -15.360 -19.042 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -16.049 -15.724 -17.173 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -15.845 -16.270 -18.825 1.00 0.00 H new ATOM 1014 N ALA A 63 -14.918 -10.879 -18.693 1.00 0.00 N ATOM 1015 CA ALA A 63 -14.921 -9.631 -17.939 1.00 0.00 C ATOM 1016 C ALA A 63 -16.331 -9.062 -17.826 1.00 0.00 C ATOM 1017 O ALA A 63 -16.588 -8.170 -17.018 1.00 0.00 O ATOM 1018 CB ALA A 63 -13.992 -8.618 -18.591 1.00 0.00 C ATOM 0 H ALA A 63 -14.400 -10.840 -19.571 1.00 0.00 H new ATOM 0 HA ALA A 63 -14.561 -9.843 -16.932 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -14.004 -7.691 -18.017 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -12.978 -9.017 -18.615 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -14.327 -8.419 -19.609 1.00 0.00 H new ATOM 1024 N ALA A 64 -17.242 -9.583 -18.641 1.00 0.00 N ATOM 1025 CA ALA A 64 -18.627 -9.127 -18.631 1.00 0.00 C ATOM 1026 C ALA A 64 -19.406 -9.765 -17.486 1.00 0.00 C ATOM 1027 O ALA A 64 -20.586 -9.473 -17.286 1.00 0.00 O ATOM 1028 CB ALA A 64 -19.294 -9.436 -19.963 1.00 0.00 C ATOM 0 H ALA A 64 -17.046 -10.321 -19.317 1.00 0.00 H new ATOM 0 HA ALA A 64 -18.628 -8.048 -18.479 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -20.327 -9.090 -19.941 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -18.758 -8.928 -20.765 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -19.275 -10.512 -20.139 1.00 0.00 H new ATOM 1034 N TYR A 65 -18.741 -10.638 -16.738 1.00 0.00 N ATOM 1035 CA TYR A 65 -19.373 -11.320 -15.614 1.00 0.00 C ATOM 1036 C TYR A 65 -18.527 -11.188 -14.352 1.00 0.00 C ATOM 1037 O TYR A 65 -18.539 -12.065 -13.488 1.00 0.00 O ATOM 1038 CB TYR A 65 -19.590 -12.797 -15.944 1.00 0.00 C ATOM 1039 CG TYR A 65 -20.675 -13.035 -16.971 1.00 0.00 C ATOM 1040 CD1 TYR A 65 -20.543 -12.562 -18.271 1.00 0.00 C ATOM 1041 CD2 TYR A 65 -21.831 -13.732 -16.642 1.00 0.00 C ATOM 1042 CE1 TYR A 65 -21.531 -12.777 -19.213 1.00 0.00 C ATOM 1043 CE2 TYR A 65 -22.823 -13.952 -17.577 1.00 0.00 C ATOM 1044 CZ TYR A 65 -22.669 -13.472 -18.861 1.00 0.00 C ATOM 1045 OH TYR A 65 -23.656 -13.688 -19.795 1.00 0.00 O ATOM 0 H TYR A 65 -17.764 -10.890 -16.889 1.00 0.00 H new ATOM 0 HA TYR A 65 -20.339 -10.849 -15.433 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -18.655 -13.220 -16.311 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -19.844 -13.332 -15.029 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -19.653 -12.017 -18.550 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -21.956 -14.108 -15.637 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -21.413 -12.403 -20.219 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -23.715 -14.497 -17.304 1.00 0.00 H new ATOM 0 HH TYR A 65 -24.389 -14.194 -19.386 1.00 0.00 H new ATOM 1055 N VAL A 66 -17.792 -10.085 -14.252 1.00 0.00 N ATOM 1056 CA VAL A 66 -16.941 -9.835 -13.095 1.00 0.00 C ATOM 1057 C VAL A 66 -16.834 -8.343 -12.802 1.00 0.00 C ATOM 1058 O VAL A 66 -17.190 -7.509 -13.635 1.00 0.00 O ATOM 1059 CB VAL A 66 -15.527 -10.409 -13.304 1.00 0.00 C ATOM 1060 CG1 VAL A 66 -15.596 -11.891 -13.642 1.00 0.00 C ATOM 1061 CG2 VAL A 66 -14.796 -9.639 -14.393 1.00 0.00 C ATOM 0 H VAL A 66 -17.769 -9.350 -14.959 1.00 0.00 H new ATOM 0 HA VAL A 66 -17.407 -10.336 -12.246 1.00 0.00 H new ATOM 0 HB VAL A 66 -14.968 -10.299 -12.375 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -14.588 -12.279 -13.786 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -16.078 -12.428 -12.825 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -16.172 -12.029 -14.557 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -13.799 -10.058 -14.528 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -15.351 -9.716 -15.328 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -14.714 -8.591 -14.105 1.00 0.00 H new ATOM 1071 N LYS A 67 -16.341 -8.012 -11.614 1.00 0.00 N ATOM 1072 CA LYS A 67 -16.184 -6.620 -11.210 1.00 0.00 C ATOM 1073 C LYS A 67 -15.218 -6.499 -10.036 1.00 0.00 C ATOM 1074 O LYS A 67 -15.503 -6.970 -8.934 1.00 0.00 O ATOM 1075 CB LYS A 67 -17.541 -6.021 -10.833 1.00 0.00 C ATOM 1076 CG LYS A 67 -17.529 -4.506 -10.729 1.00 0.00 C ATOM 1077 CD LYS A 67 -17.522 -3.853 -12.101 1.00 0.00 C ATOM 1078 CE LYS A 67 -16.999 -2.426 -12.036 1.00 0.00 C ATOM 1079 NZ LYS A 67 -17.826 -1.572 -11.139 1.00 0.00 N ATOM 0 H LYS A 67 -16.043 -8.690 -10.913 1.00 0.00 H new ATOM 0 HA LYS A 67 -15.772 -6.067 -12.054 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -18.280 -6.320 -11.576 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -17.861 -6.440 -9.879 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -18.403 -4.172 -10.170 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -16.651 -4.186 -10.168 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -16.902 -4.438 -12.781 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -18.532 -3.853 -12.510 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -15.968 -2.433 -11.682 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -16.989 -1.997 -13.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -17.511 -0.584 -11.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -18.825 -1.639 -11.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -17.720 -1.896 -10.157 1.00 0.00 H new ATOM 1093 N LYS A 68 -14.076 -5.865 -10.277 1.00 0.00 N ATOM 1094 CA LYS A 68 -13.069 -5.679 -9.240 1.00 0.00 C ATOM 1095 C LYS A 68 -13.675 -5.018 -8.006 1.00 0.00 C ATOM 1096 O LYS A 68 -14.560 -4.169 -8.115 1.00 0.00 O ATOM 1097 CB LYS A 68 -11.911 -4.830 -9.770 1.00 0.00 C ATOM 1098 CG LYS A 68 -10.679 -4.860 -8.882 1.00 0.00 C ATOM 1099 CD LYS A 68 -9.499 -4.166 -9.542 1.00 0.00 C ATOM 1100 CE LYS A 68 -8.738 -5.112 -10.458 1.00 0.00 C ATOM 1101 NZ LYS A 68 -7.559 -4.451 -11.083 1.00 0.00 N ATOM 0 H LYS A 68 -13.825 -5.471 -11.183 1.00 0.00 H new ATOM 0 HA LYS A 68 -12.691 -6.661 -8.956 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -11.640 -5.181 -10.765 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -12.247 -3.799 -9.877 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -10.902 -4.375 -7.932 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -10.416 -5.894 -8.658 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -9.853 -3.309 -10.115 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -8.827 -3.781 -8.775 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -8.408 -5.981 -9.889 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -9.406 -5.477 -11.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -7.137 -5.088 -11.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -7.860 -3.571 -11.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -6.855 -4.231 -10.350 1.00 0.00 H new ATOM 1115 N LEU A 69 -13.192 -5.412 -6.832 1.00 0.00 N ATOM 1116 CA LEU A 69 -13.685 -4.856 -5.577 1.00 0.00 C ATOM 1117 C LEU A 69 -12.820 -3.685 -5.123 1.00 0.00 C ATOM 1118 O LEU A 69 -13.297 -2.555 -5.009 1.00 0.00 O ATOM 1119 CB LEU A 69 -13.710 -5.936 -4.493 1.00 0.00 C ATOM 1120 CG LEU A 69 -14.725 -7.063 -4.692 1.00 0.00 C ATOM 1121 CD1 LEU A 69 -14.217 -8.354 -4.071 1.00 0.00 C ATOM 1122 CD2 LEU A 69 -16.073 -6.677 -4.100 1.00 0.00 C ATOM 0 H LEU A 69 -12.460 -6.114 -6.724 1.00 0.00 H new ATOM 0 HA LEU A 69 -14.699 -4.492 -5.743 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -12.716 -6.377 -4.425 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -13.912 -5.457 -3.535 1.00 0.00 H new ATOM 0 HG LEU A 69 -14.854 -7.226 -5.762 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -14.952 -9.144 -4.222 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -13.276 -8.639 -4.542 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -14.058 -8.206 -3.003 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -16.783 -7.490 -4.251 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -15.961 -6.487 -3.033 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -16.442 -5.777 -4.592 1.00 0.00 H new ATOM 1134 N ASP A 70 -11.546 -3.961 -4.867 1.00 0.00 N ATOM 1135 CA ASP A 70 -10.613 -2.929 -4.429 1.00 0.00 C ATOM 1136 C ASP A 70 -9.190 -3.264 -4.864 1.00 0.00 C ATOM 1137 O ASP A 70 -8.854 -4.429 -5.082 1.00 0.00 O ATOM 1138 CB ASP A 70 -10.671 -2.772 -2.909 1.00 0.00 C ATOM 1139 CG ASP A 70 -10.161 -1.421 -2.447 1.00 0.00 C ATOM 1140 OD1 ASP A 70 -8.961 -1.138 -2.649 1.00 0.00 O ATOM 1141 OD2 ASP A 70 -10.962 -0.646 -1.884 1.00 0.00 O ATOM 0 H ASP A 70 -11.136 -4.891 -4.955 1.00 0.00 H new ATOM 0 HA ASP A 70 -10.904 -1.988 -4.895 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -11.699 -2.904 -2.572 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -10.079 -3.560 -2.442 1.00 0.00 H new TER 1146 ASP A 70