USER MOD reduce.3.24.130724 H: found=0, std=0, add=565, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 567 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 83 SER OG : rot 171:sc= 1.09 USER MOD Set 1.2: A 85 THR OG1 : rot -31:sc= 1.26 USER MOD Set 1.3: A 86 THR OG1 : rot -170:sc= -0.758 USER MOD Set 2.1: A 50 ASN : amide:sc= -1.02 K(o=-0.82,f=-1.9!) USER MOD Set 2.2: A 89 ASN : amide:sc= 0.199 K(o=-0.82,f=-3.6!) USER MOD Set 3.1: A 17 TYR OH : rot -63:sc= 0.03 USER MOD Set 3.2: A 66 ASN : amide:sc= -2.81 X(o=-2.8,f=-2.3) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 104:sc= 0.16 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 7:sc= 0.993 USER MOD Single : A 25 SER OG : rot 180:sc= 0.0749 USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 173:sc= 0.841 (180deg=0.783) USER MOD Single : A 40 ASN :FLIP amide:sc= 0.739 F(o=-0.41,f=0.74) USER MOD Single : A 41 THR OG1 : rot -166:sc= -3.43! USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -2.09 K(o=-2.1,f=-7.2!) USER MOD Single : A 53 LYS NZ :NH3+ -126:sc= -0.662 (180deg=-2.1!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -3.56 K(o=-3.6,f=-4.7!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -0.459 K(o=-0.46,f=-2.1!) USER MOD Single : A 90 THR OG1 : rot -52:sc= 0.65 USER MOD ----------------------------------------------------------------- ATOM 11 N ILE A 2 2.671 -2.444 -3.183 1.00 51.32 N ATOM 12 CA ILE A 2 3.272 -3.718 -3.558 1.00 53.44 C ATOM 13 C ILE A 2 4.553 -3.507 -4.358 1.00 2.24 C ATOM 14 O ILE A 2 5.024 -2.380 -4.509 1.00 41.31 O ATOM 15 CB ILE A 2 2.299 -4.577 -4.387 1.00 55.43 C ATOM 16 CG1 ILE A 2 2.032 -3.920 -5.743 1.00 41.33 C ATOM 17 CG2 ILE A 2 0.997 -4.784 -3.628 1.00 55.11 C ATOM 18 CD1 ILE A 2 1.099 -4.716 -6.628 1.00 35.24 C ATOM 0 HA ILE A 2 3.507 -4.241 -2.631 1.00 53.44 H new ATOM 0 HB ILE A 2 2.755 -5.552 -4.560 1.00 55.43 H new ATOM 0 HG12 ILE A 2 1.608 -2.929 -5.580 1.00 41.33 H new ATOM 0 HG13 ILE A 2 2.980 -3.779 -6.262 1.00 41.33 H new ATOM 0 HG21 ILE A 2 0.320 -5.393 -4.227 1.00 55.11 H new ATOM 0 HG22 ILE A 2 1.202 -5.290 -2.685 1.00 55.11 H new ATOM 0 HG23 ILE A 2 0.535 -3.817 -3.428 1.00 55.11 H new ATOM 0 HD11 ILE A 2 0.956 -4.190 -7.572 1.00 35.24 H new ATOM 0 HD12 ILE A 2 1.531 -5.698 -6.822 1.00 35.24 H new ATOM 0 HD13 ILE A 2 0.137 -4.835 -6.129 1.00 35.24 H new ATOM 30 N SER A 3 5.112 -4.599 -4.868 1.00 70.35 N ATOM 31 CA SER A 3 6.341 -4.535 -5.651 1.00 54.12 C ATOM 32 C SER A 3 6.031 -4.425 -7.141 1.00 15.20 C ATOM 33 O SER A 3 5.406 -5.311 -7.724 1.00 61.44 O ATOM 34 CB SER A 3 7.203 -5.771 -5.388 1.00 43.32 C ATOM 35 OG SER A 3 7.704 -5.771 -4.062 1.00 55.34 O ATOM 0 H SER A 3 4.734 -5.539 -4.753 1.00 70.35 H new ATOM 0 HA SER A 3 6.891 -3.645 -5.345 1.00 54.12 H new ATOM 0 HB2 SER A 3 6.613 -6.672 -5.557 1.00 43.32 H new ATOM 0 HB3 SER A 3 8.033 -5.796 -6.094 1.00 43.32 H new ATOM 0 HG SER A 3 8.250 -6.572 -3.919 1.00 55.34 H new ATOM 41 N CYS A 4 6.471 -3.330 -7.751 1.00 44.22 N ATOM 42 CA CYS A 4 6.242 -3.101 -9.173 1.00 11.04 C ATOM 43 C CYS A 4 6.756 -4.274 -10.002 1.00 44.34 C ATOM 44 O CYS A 4 6.155 -4.647 -11.009 1.00 2.12 O ATOM 45 CB CYS A 4 6.926 -1.807 -9.619 1.00 74.21 C ATOM 46 SG CYS A 4 6.079 -0.953 -10.988 1.00 2.04 S ATOM 0 H CYS A 4 6.989 -2.586 -7.283 1.00 44.22 H new ATOM 0 HA CYS A 4 5.168 -3.009 -9.333 1.00 11.04 H new ATOM 0 HB2 CYS A 4 6.991 -1.130 -8.767 1.00 74.21 H new ATOM 0 HB3 CYS A 4 7.948 -2.035 -9.923 1.00 74.21 H new ATOM 51 N GLY A 5 7.874 -4.851 -9.572 1.00 20.23 N ATOM 52 CA GLY A 5 8.451 -5.975 -10.286 1.00 31.34 C ATOM 53 C GLY A 5 7.518 -7.169 -10.339 1.00 53.42 C ATOM 54 O GLY A 5 7.593 -7.983 -11.259 1.00 21.25 O ATOM 0 H GLY A 5 8.390 -4.560 -8.742 1.00 20.23 H new ATOM 0 HA2 GLY A 5 8.700 -5.667 -11.302 1.00 31.34 H new ATOM 0 HA3 GLY A 5 9.384 -6.268 -9.804 1.00 31.34 H new ATOM 58 N ALA A 6 6.636 -7.273 -9.350 1.00 62.32 N ATOM 59 CA ALA A 6 5.684 -8.376 -9.289 1.00 4.43 C ATOM 60 C ALA A 6 4.441 -8.074 -10.118 1.00 13.21 C ATOM 61 O ALA A 6 3.718 -8.983 -10.525 1.00 70.52 O ATOM 62 CB ALA A 6 5.301 -8.662 -7.844 1.00 64.34 C ATOM 0 H ALA A 6 6.561 -6.608 -8.581 1.00 62.32 H new ATOM 0 HA ALA A 6 6.162 -9.261 -9.709 1.00 4.43 H new ATOM 0 HB1 ALA A 6 4.590 -9.487 -7.813 1.00 64.34 H new ATOM 0 HB2 ALA A 6 6.193 -8.930 -7.277 1.00 64.34 H new ATOM 0 HB3 ALA A 6 4.846 -7.774 -7.406 1.00 64.34 H new ATOM 68 N VAL A 7 4.196 -6.791 -10.364 1.00 41.41 N ATOM 69 CA VAL A 7 3.039 -6.369 -11.145 1.00 45.02 C ATOM 70 C VAL A 7 3.148 -6.846 -12.589 1.00 41.22 C ATOM 71 O VAL A 7 2.230 -7.473 -13.119 1.00 22.11 O ATOM 72 CB VAL A 7 2.882 -4.837 -11.133 1.00 0.24 C ATOM 73 CG1 VAL A 7 1.614 -4.424 -11.865 1.00 22.23 C ATOM 74 CG2 VAL A 7 2.877 -4.314 -9.704 1.00 72.01 C ATOM 0 H VAL A 7 4.783 -6.025 -10.034 1.00 41.41 H new ATOM 0 HA VAL A 7 2.162 -6.820 -10.681 1.00 45.02 H new ATOM 0 HB VAL A 7 3.733 -4.398 -11.654 1.00 0.24 H new ATOM 0 HG11 VAL A 7 1.520 -3.338 -11.846 1.00 22.23 H new ATOM 0 HG12 VAL A 7 1.663 -4.766 -12.899 1.00 22.23 H new ATOM 0 HG13 VAL A 7 0.749 -4.872 -11.375 1.00 22.23 H new ATOM 0 HG21 VAL A 7 2.765 -3.230 -9.714 1.00 72.01 H new ATOM 0 HG22 VAL A 7 2.046 -4.759 -9.156 1.00 72.01 H new ATOM 0 HG23 VAL A 7 3.816 -4.578 -9.217 1.00 72.01 H new ATOM 84 N THR A 8 4.277 -6.545 -13.223 1.00 5.22 N ATOM 85 CA THR A 8 4.507 -6.942 -14.606 1.00 51.22 C ATOM 86 C THR A 8 4.839 -8.426 -14.704 1.00 64.23 C ATOM 87 O THR A 8 4.448 -9.098 -15.659 1.00 0.03 O ATOM 88 CB THR A 8 5.650 -6.128 -15.242 1.00 31.20 C ATOM 89 OG1 THR A 8 6.884 -6.414 -14.575 1.00 65.23 O ATOM 90 CG2 THR A 8 5.360 -4.637 -15.166 1.00 0.24 C ATOM 0 H THR A 8 5.047 -6.027 -12.800 1.00 5.22 H new ATOM 0 HA THR A 8 3.583 -6.743 -15.150 1.00 51.22 H new ATOM 0 HB THR A 8 5.730 -6.413 -16.291 1.00 31.20 H new ATOM 0 HG1 THR A 8 7.606 -5.894 -14.986 1.00 65.23 H new ATOM 0 HG21 THR A 8 6.181 -4.083 -15.621 1.00 0.24 H new ATOM 0 HG22 THR A 8 4.435 -4.419 -15.700 1.00 0.24 H new ATOM 0 HG23 THR A 8 5.256 -4.339 -14.123 1.00 0.24 H new ATOM 98 N SER A 9 5.563 -8.933 -13.711 1.00 43.32 N ATOM 99 CA SER A 9 5.951 -10.338 -13.688 1.00 22.24 C ATOM 100 C SER A 9 4.723 -11.242 -13.742 1.00 10.41 C ATOM 101 O SER A 9 4.697 -12.229 -14.477 1.00 21.13 O ATOM 102 CB SER A 9 6.767 -10.643 -12.430 1.00 3.20 C ATOM 103 OG SER A 9 8.156 -10.520 -12.681 1.00 65.44 O ATOM 0 H SER A 9 5.893 -8.391 -12.912 1.00 43.32 H new ATOM 0 HA SER A 9 6.564 -10.534 -14.567 1.00 22.24 H new ATOM 0 HB2 SER A 9 6.477 -9.961 -11.630 1.00 3.20 H new ATOM 0 HB3 SER A 9 6.545 -11.653 -12.084 1.00 3.20 H new ATOM 0 HG SER A 9 8.486 -9.683 -12.293 1.00 65.44 H new ATOM 109 N ASP A 10 3.707 -10.896 -12.959 1.00 2.13 N ATOM 110 CA ASP A 10 2.475 -11.674 -12.917 1.00 75.01 C ATOM 111 C ASP A 10 1.767 -11.644 -14.268 1.00 41.13 C ATOM 112 O ASP A 10 0.949 -12.513 -14.572 1.00 71.13 O ATOM 113 CB ASP A 10 1.544 -11.137 -11.828 1.00 61.42 C ATOM 114 CG ASP A 10 2.140 -11.270 -10.441 1.00 2.45 C ATOM 115 OD1 ASP A 10 1.548 -10.723 -9.486 1.00 24.43 O ATOM 116 OD2 ASP A 10 3.198 -11.920 -10.309 1.00 51.11 O ATOM 0 H ASP A 10 3.713 -10.082 -12.345 1.00 2.13 H new ATOM 0 HA ASP A 10 2.735 -12.707 -12.686 1.00 75.01 H new ATOM 0 HB2 ASP A 10 1.324 -10.088 -12.027 1.00 61.42 H new ATOM 0 HB3 ASP A 10 0.596 -11.674 -11.866 1.00 61.42 H new ATOM 121 N LEU A 11 2.086 -10.638 -15.075 1.00 63.01 N ATOM 122 CA LEU A 11 1.481 -10.493 -16.394 1.00 73.53 C ATOM 123 C LEU A 11 2.465 -10.886 -17.491 1.00 71.34 C ATOM 124 O LEU A 11 2.245 -10.599 -18.668 1.00 63.31 O ATOM 125 CB LEU A 11 1.011 -9.053 -16.607 1.00 31.35 C ATOM 126 CG LEU A 11 -0.262 -8.646 -15.863 1.00 42.03 C ATOM 127 CD1 LEU A 11 -0.704 -7.254 -16.286 1.00 55.21 C ATOM 128 CD2 LEU A 11 -1.371 -9.658 -16.110 1.00 62.34 C ATOM 0 H LEU A 11 2.761 -9.910 -14.839 1.00 63.01 H new ATOM 0 HA LEU A 11 0.621 -11.161 -16.446 1.00 73.53 H new ATOM 0 HB2 LEU A 11 1.815 -8.381 -16.306 1.00 31.35 H new ATOM 0 HB3 LEU A 11 0.850 -8.899 -17.674 1.00 31.35 H new ATOM 0 HG LEU A 11 -0.046 -8.628 -14.795 1.00 42.03 H new ATOM 0 HD11 LEU A 11 -1.611 -6.981 -15.747 1.00 55.21 H new ATOM 0 HD12 LEU A 11 0.084 -6.537 -16.057 1.00 55.21 H new ATOM 0 HD13 LEU A 11 -0.902 -7.245 -17.358 1.00 55.21 H new ATOM 0 HD21 LEU A 11 -2.269 -9.352 -15.573 1.00 62.34 H new ATOM 0 HD22 LEU A 11 -1.586 -9.709 -17.177 1.00 62.34 H new ATOM 0 HD23 LEU A 11 -1.054 -10.639 -15.757 1.00 62.34 H new ATOM 140 N SER A 12 3.549 -11.546 -17.098 1.00 25.33 N ATOM 141 CA SER A 12 4.569 -11.978 -18.047 1.00 55.54 C ATOM 142 C SER A 12 3.954 -12.827 -19.156 1.00 33.15 C ATOM 143 O SER A 12 4.032 -12.500 -20.340 1.00 2.22 O ATOM 144 CB SER A 12 5.662 -12.770 -17.329 1.00 45.01 C ATOM 145 OG SER A 12 6.753 -11.934 -16.982 1.00 31.35 O ATOM 0 H SER A 12 3.744 -11.794 -16.128 1.00 25.33 H new ATOM 0 HA SER A 12 5.011 -11.089 -18.497 1.00 55.54 H new ATOM 0 HB2 SER A 12 5.251 -13.230 -16.430 1.00 45.01 H new ATOM 0 HB3 SER A 12 6.010 -13.580 -17.970 1.00 45.01 H new ATOM 0 HG SER A 12 7.438 -12.464 -16.523 1.00 31.35 H new ATOM 151 N PRO A 13 3.326 -13.946 -18.763 1.00 43.22 N ATOM 152 CA PRO A 13 2.685 -14.866 -19.707 1.00 31.11 C ATOM 153 C PRO A 13 1.433 -14.268 -20.339 1.00 74.51 C ATOM 154 O PRO A 13 0.874 -14.828 -21.283 1.00 52.11 O ATOM 155 CB PRO A 13 2.321 -16.071 -18.836 1.00 2.14 C ATOM 156 CG PRO A 13 2.195 -15.518 -17.458 1.00 53.11 C ATOM 157 CD PRO A 13 3.194 -14.398 -17.368 1.00 62.01 C ATOM 0 HA PRO A 13 3.338 -15.110 -20.545 1.00 31.11 H new ATOM 0 HB2 PRO A 13 1.389 -16.530 -19.165 1.00 2.14 H new ATOM 0 HB3 PRO A 13 3.090 -16.842 -18.885 1.00 2.14 H new ATOM 0 HG2 PRO A 13 1.184 -15.155 -17.274 1.00 53.11 H new ATOM 0 HG3 PRO A 13 2.399 -16.284 -16.710 1.00 53.11 H new ATOM 0 HD2 PRO A 13 2.842 -13.597 -16.718 1.00 62.01 H new ATOM 0 HD3 PRO A 13 4.147 -14.741 -16.965 1.00 62.01 H new ATOM 165 N CYS A 14 0.996 -13.129 -19.814 1.00 4.45 N ATOM 166 CA CYS A 14 -0.190 -12.454 -20.326 1.00 71.32 C ATOM 167 C CYS A 14 0.186 -11.422 -21.385 1.00 11.42 C ATOM 168 O CYS A 14 -0.587 -11.150 -22.305 1.00 3.31 O ATOM 169 CB CYS A 14 -0.951 -11.777 -19.184 1.00 45.24 C ATOM 170 SG CYS A 14 -1.510 -12.921 -17.882 1.00 54.21 S ATOM 0 H CYS A 14 1.447 -12.653 -19.032 1.00 4.45 H new ATOM 0 HA CYS A 14 -0.833 -13.203 -20.787 1.00 71.32 H new ATOM 0 HB2 CYS A 14 -0.311 -11.018 -18.735 1.00 45.24 H new ATOM 0 HB3 CYS A 14 -1.818 -11.260 -19.596 1.00 45.24 H new ATOM 175 N LEU A 15 1.377 -10.850 -21.248 1.00 40.44 N ATOM 176 CA LEU A 15 1.857 -9.847 -22.193 1.00 11.31 C ATOM 177 C LEU A 15 1.592 -10.282 -23.631 1.00 0.14 C ATOM 178 O LEU A 15 1.196 -9.475 -24.473 1.00 20.14 O ATOM 179 CB LEU A 15 3.353 -9.601 -21.990 1.00 10.12 C ATOM 180 CG LEU A 15 3.879 -8.243 -22.455 1.00 2.44 C ATOM 181 CD1 LEU A 15 3.115 -7.115 -21.779 1.00 51.52 C ATOM 182 CD2 LEU A 15 5.370 -8.123 -22.172 1.00 72.14 C ATOM 0 H LEU A 15 2.028 -11.063 -20.492 1.00 40.44 H new ATOM 0 HA LEU A 15 1.314 -8.920 -22.008 1.00 11.31 H new ATOM 0 HB2 LEU A 15 3.578 -9.712 -20.929 1.00 10.12 H new ATOM 0 HB3 LEU A 15 3.904 -10.381 -22.516 1.00 10.12 H new ATOM 0 HG LEU A 15 3.726 -8.165 -23.531 1.00 2.44 H new ATOM 0 HD11 LEU A 15 3.503 -6.156 -22.122 1.00 51.52 H new ATOM 0 HD12 LEU A 15 2.057 -7.190 -22.031 1.00 51.52 H new ATOM 0 HD13 LEU A 15 3.236 -7.190 -20.698 1.00 51.52 H new ATOM 0 HD21 LEU A 15 5.727 -7.150 -22.510 1.00 72.14 H new ATOM 0 HD22 LEU A 15 5.546 -8.223 -21.101 1.00 72.14 H new ATOM 0 HD23 LEU A 15 5.906 -8.910 -22.703 1.00 72.14 H new ATOM 194 N THR A 16 1.811 -11.564 -23.905 1.00 62.15 N ATOM 195 CA THR A 16 1.595 -12.107 -25.240 1.00 64.35 C ATOM 196 C THR A 16 0.189 -11.798 -25.739 1.00 54.33 C ATOM 197 O THR A 16 0.013 -11.090 -26.731 1.00 50.32 O ATOM 198 CB THR A 16 1.814 -13.632 -25.269 1.00 12.23 C ATOM 199 OG1 THR A 16 3.167 -13.939 -24.917 1.00 23.43 O ATOM 200 CG2 THR A 16 1.502 -14.198 -26.646 1.00 15.22 C ATOM 0 H THR A 16 2.138 -12.246 -23.220 1.00 62.15 H new ATOM 0 HA THR A 16 2.323 -11.630 -25.896 1.00 64.35 H new ATOM 0 HB THR A 16 1.138 -14.088 -24.545 1.00 12.23 H new ATOM 0 HG1 THR A 16 3.298 -14.910 -24.936 1.00 23.43 H new ATOM 0 HG21 THR A 16 1.664 -15.276 -26.642 1.00 15.22 H new ATOM 0 HG22 THR A 16 0.463 -13.988 -26.899 1.00 15.22 H new ATOM 0 HG23 THR A 16 2.156 -13.736 -27.386 1.00 15.22 H new ATOM 208 N TYR A 17 -0.811 -12.331 -25.046 1.00 23.43 N ATOM 209 CA TYR A 17 -2.203 -12.113 -25.420 1.00 21.12 C ATOM 210 C TYR A 17 -2.571 -10.637 -25.311 1.00 12.43 C ATOM 211 O TYR A 17 -3.368 -10.123 -26.097 1.00 74.41 O ATOM 212 CB TYR A 17 -3.128 -12.948 -24.533 1.00 11.12 C ATOM 213 CG TYR A 17 -4.588 -12.575 -24.660 1.00 41.22 C ATOM 214 CD1 TYR A 17 -5.279 -12.791 -25.846 1.00 33.21 C ATOM 215 CD2 TYR A 17 -5.275 -12.005 -23.596 1.00 33.34 C ATOM 216 CE1 TYR A 17 -6.613 -12.451 -25.967 1.00 61.42 C ATOM 217 CE2 TYR A 17 -6.609 -11.664 -23.707 1.00 51.25 C ATOM 218 CZ TYR A 17 -7.273 -11.888 -24.895 1.00 74.52 C ATOM 219 OH TYR A 17 -8.602 -11.548 -25.011 1.00 62.30 O ATOM 0 H TYR A 17 -0.683 -12.918 -24.221 1.00 23.43 H new ATOM 0 HA TYR A 17 -2.327 -12.424 -26.457 1.00 21.12 H new ATOM 0 HB2 TYR A 17 -3.007 -14.001 -24.787 1.00 11.12 H new ATOM 0 HB3 TYR A 17 -2.821 -12.833 -23.493 1.00 11.12 H new ATOM 0 HD1 TYR A 17 -4.765 -13.232 -26.687 1.00 33.21 H new ATOM 0 HD2 TYR A 17 -4.757 -11.825 -22.665 1.00 33.34 H new ATOM 0 HE1 TYR A 17 -7.136 -12.625 -26.896 1.00 61.42 H new ATOM 0 HE2 TYR A 17 -7.129 -11.225 -22.869 1.00 51.25 H new ATOM 0 HH TYR A 17 -8.704 -10.859 -25.700 1.00 62.30 H new ATOM 229 N LEU A 18 -1.985 -9.958 -24.331 1.00 24.43 N ATOM 230 CA LEU A 18 -2.249 -8.540 -24.117 1.00 51.31 C ATOM 231 C LEU A 18 -1.664 -7.700 -25.248 1.00 71.45 C ATOM 232 O LEU A 18 -2.078 -6.562 -25.470 1.00 5.41 O ATOM 233 CB LEU A 18 -1.665 -8.088 -22.777 1.00 55.03 C ATOM 234 CG LEU A 18 -2.338 -8.656 -21.527 1.00 5.03 C ATOM 235 CD1 LEU A 18 -1.733 -8.045 -20.272 1.00 15.01 C ATOM 236 CD2 LEU A 18 -3.839 -8.413 -21.571 1.00 50.30 C ATOM 0 H LEU A 18 -1.323 -10.367 -23.672 1.00 24.43 H new ATOM 0 HA LEU A 18 -3.329 -8.396 -24.103 1.00 51.31 H new ATOM 0 HB2 LEU A 18 -0.610 -8.360 -22.753 1.00 55.03 H new ATOM 0 HB3 LEU A 18 -1.715 -7.000 -22.730 1.00 55.03 H new ATOM 0 HG LEU A 18 -2.166 -9.732 -21.502 1.00 5.03 H new ATOM 0 HD11 LEU A 18 -2.224 -8.461 -19.392 1.00 15.01 H new ATOM 0 HD12 LEU A 18 -0.668 -8.272 -20.234 1.00 15.01 H new ATOM 0 HD13 LEU A 18 -1.874 -6.964 -20.289 1.00 15.01 H new ATOM 0 HD21 LEU A 18 -4.301 -8.824 -20.673 1.00 50.30 H new ATOM 0 HD22 LEU A 18 -4.033 -7.342 -21.621 1.00 50.30 H new ATOM 0 HD23 LEU A 18 -4.261 -8.899 -22.451 1.00 50.30 H new ATOM 248 N THR A 19 -0.700 -8.271 -25.964 1.00 70.04 N ATOM 249 CA THR A 19 -0.059 -7.577 -27.074 1.00 3.43 C ATOM 250 C THR A 19 -0.628 -8.035 -28.412 1.00 4.33 C ATOM 251 O THR A 19 0.036 -7.943 -29.444 1.00 11.34 O ATOM 252 CB THR A 19 1.465 -7.802 -27.072 1.00 70.32 C ATOM 253 OG1 THR A 19 1.752 -9.205 -27.057 1.00 64.11 O ATOM 254 CG2 THR A 19 2.110 -7.134 -25.867 1.00 72.42 C ATOM 0 H THR A 19 -0.346 -9.213 -25.795 1.00 70.04 H new ATOM 0 HA THR A 19 -0.262 -6.514 -26.942 1.00 3.43 H new ATOM 0 HB THR A 19 1.877 -7.356 -27.977 1.00 70.32 H new ATOM 0 HG1 THR A 19 0.918 -9.710 -27.158 1.00 64.11 H new ATOM 0 HG21 THR A 19 3.186 -7.307 -25.888 1.00 72.42 H new ATOM 0 HG22 THR A 19 1.914 -6.062 -25.897 1.00 72.42 H new ATOM 0 HG23 THR A 19 1.693 -7.554 -24.952 1.00 72.42 H new ATOM 262 N GLY A 20 -1.862 -8.528 -28.387 1.00 70.31 N ATOM 263 CA GLY A 20 -2.500 -8.993 -29.605 1.00 45.02 C ATOM 264 C GLY A 20 -2.277 -10.473 -29.848 1.00 40.50 C ATOM 265 O GLY A 20 -2.919 -11.071 -30.710 1.00 15.12 O ATOM 0 H GLY A 20 -2.432 -8.614 -27.545 1.00 70.31 H new ATOM 0 HA2 GLY A 20 -3.570 -8.794 -29.549 1.00 45.02 H new ATOM 0 HA3 GLY A 20 -2.114 -8.427 -30.453 1.00 45.02 H new ATOM 269 N GLY A 21 -1.362 -11.065 -29.087 1.00 2.24 N ATOM 270 CA GLY A 21 -1.071 -12.478 -29.240 1.00 61.21 C ATOM 271 C GLY A 21 -2.248 -13.356 -28.866 1.00 75.40 C ATOM 272 O GLY A 21 -3.299 -12.875 -28.442 1.00 32.12 O ATOM 0 H GLY A 21 -0.817 -10.591 -28.367 1.00 2.24 H new ATOM 0 HA2 GLY A 21 -0.787 -12.677 -30.273 1.00 61.21 H new ATOM 0 HA3 GLY A 21 -0.215 -12.739 -28.618 1.00 61.21 H new ATOM 276 N PRO A 22 -2.080 -14.678 -29.025 1.00 13.43 N ATOM 277 CA PRO A 22 -3.128 -15.653 -28.707 1.00 42.33 C ATOM 278 C PRO A 22 -3.379 -15.766 -27.208 1.00 13.24 C ATOM 279 O PRO A 22 -2.475 -15.559 -26.399 1.00 71.54 O ATOM 280 CB PRO A 22 -2.567 -16.967 -29.256 1.00 60.10 C ATOM 281 CG PRO A 22 -1.089 -16.781 -29.249 1.00 1.42 C ATOM 282 CD PRO A 22 -0.854 -15.321 -29.526 1.00 33.43 C ATOM 0 HA PRO A 22 -4.090 -15.372 -29.135 1.00 42.33 H new ATOM 0 HB2 PRO A 22 -2.862 -17.813 -28.636 1.00 60.10 H new ATOM 0 HB3 PRO A 22 -2.936 -17.165 -30.262 1.00 60.10 H new ATOM 0 HG2 PRO A 22 -0.664 -17.069 -28.288 1.00 1.42 H new ATOM 0 HG3 PRO A 22 -0.614 -17.404 -30.007 1.00 1.42 H new ATOM 0 HD2 PRO A 22 0.033 -14.952 -29.011 1.00 33.43 H new ATOM 0 HD3 PRO A 22 -0.707 -15.132 -30.589 1.00 33.43 H new ATOM 290 N GLY A 23 -4.615 -16.096 -26.842 1.00 44.43 N ATOM 291 CA GLY A 23 -4.962 -16.231 -25.440 1.00 14.41 C ATOM 292 C GLY A 23 -6.376 -15.770 -25.146 1.00 53.02 C ATOM 293 O GLY A 23 -7.218 -15.671 -26.039 1.00 71.43 O ATOM 0 H GLY A 23 -5.381 -16.272 -27.492 1.00 44.43 H new ATOM 0 HA2 GLY A 23 -4.853 -17.273 -25.141 1.00 14.41 H new ATOM 0 HA3 GLY A 23 -4.262 -15.652 -24.838 1.00 14.41 H new ATOM 297 N PRO A 24 -6.655 -15.480 -23.867 1.00 24.15 N ATOM 298 CA PRO A 24 -5.661 -15.594 -22.795 1.00 20.31 C ATOM 299 C PRO A 24 -5.301 -17.044 -22.490 1.00 62.44 C ATOM 300 O PRO A 24 -6.179 -17.889 -22.318 1.00 74.23 O ATOM 301 CB PRO A 24 -6.360 -14.953 -21.593 1.00 61.33 C ATOM 302 CG PRO A 24 -7.815 -15.110 -21.873 1.00 63.14 C ATOM 303 CD PRO A 24 -7.961 -15.019 -23.367 1.00 60.22 C ATOM 0 HA PRO A 24 -4.718 -15.117 -23.062 1.00 20.31 H new ATOM 0 HB2 PRO A 24 -6.080 -15.447 -20.663 1.00 61.33 H new ATOM 0 HB3 PRO A 24 -6.088 -13.903 -21.490 1.00 61.33 H new ATOM 0 HG2 PRO A 24 -8.183 -16.067 -21.502 1.00 63.14 H new ATOM 0 HG3 PRO A 24 -8.394 -14.332 -21.376 1.00 63.14 H new ATOM 0 HD2 PRO A 24 -8.775 -15.647 -23.730 1.00 60.22 H new ATOM 0 HD3 PRO A 24 -8.177 -14.000 -23.688 1.00 60.22 H new ATOM 311 N SER A 25 -4.003 -17.326 -22.425 1.00 14.11 N ATOM 312 CA SER A 25 -3.527 -18.675 -22.144 1.00 71.23 C ATOM 313 C SER A 25 -3.899 -19.099 -20.727 1.00 15.13 C ATOM 314 O SER A 25 -4.246 -18.278 -19.877 1.00 34.20 O ATOM 315 CB SER A 25 -2.011 -18.753 -22.330 1.00 45.41 C ATOM 316 OG SER A 25 -1.400 -17.500 -22.070 1.00 33.45 O ATOM 0 H SER A 25 -3.263 -16.638 -22.563 1.00 14.11 H new ATOM 0 HA SER A 25 -4.008 -19.356 -22.846 1.00 71.23 H new ATOM 0 HB2 SER A 25 -1.598 -19.508 -21.662 1.00 45.41 H new ATOM 0 HB3 SER A 25 -1.782 -19.069 -23.348 1.00 45.41 H new ATOM 0 HG SER A 25 -0.431 -17.577 -22.194 1.00 33.45 H new ATOM 322 N PRO A 26 -3.826 -20.412 -20.464 1.00 74.21 N ATOM 323 CA PRO A 26 -4.151 -20.976 -19.151 1.00 31.14 C ATOM 324 C PRO A 26 -3.119 -20.607 -18.090 1.00 55.01 C ATOM 325 O PRO A 26 -3.450 -20.463 -16.914 1.00 35.54 O ATOM 326 CB PRO A 26 -4.144 -22.486 -19.401 1.00 64.22 C ATOM 327 CG PRO A 26 -3.243 -22.671 -20.573 1.00 61.22 C ATOM 328 CD PRO A 26 -3.420 -21.448 -21.429 1.00 55.32 C ATOM 0 HA PRO A 26 -5.099 -20.598 -18.769 1.00 31.14 H new ATOM 0 HB2 PRO A 26 -3.778 -23.030 -18.530 1.00 64.22 H new ATOM 0 HB3 PRO A 26 -5.147 -22.857 -19.610 1.00 64.22 H new ATOM 0 HG2 PRO A 26 -2.206 -22.778 -20.255 1.00 61.22 H new ATOM 0 HG3 PRO A 26 -3.502 -23.574 -21.125 1.00 61.22 H new ATOM 0 HD2 PRO A 26 -2.497 -21.180 -21.942 1.00 55.32 H new ATOM 0 HD3 PRO A 26 -4.178 -21.601 -22.197 1.00 55.32 H new ATOM 336 N GLN A 27 -1.869 -20.455 -18.515 1.00 14.40 N ATOM 337 CA GLN A 27 -0.790 -20.102 -17.600 1.00 62.24 C ATOM 338 C GLN A 27 -0.845 -18.622 -17.238 1.00 11.14 C ATOM 339 O GLN A 27 -0.418 -18.221 -16.154 1.00 50.15 O ATOM 340 CB GLN A 27 0.566 -20.436 -18.225 1.00 51.03 C ATOM 341 CG GLN A 27 0.696 -21.888 -18.656 1.00 42.13 C ATOM 342 CD GLN A 27 2.009 -22.172 -19.359 1.00 73.45 C ATOM 343 OE1 GLN A 27 2.997 -22.546 -18.727 1.00 10.21 O ATOM 344 NE2 GLN A 27 2.026 -21.997 -20.676 1.00 34.43 N ATOM 0 H GLN A 27 -1.579 -20.571 -19.486 1.00 14.40 H new ATOM 0 HA GLN A 27 -0.916 -20.685 -16.688 1.00 62.24 H new ATOM 0 HB2 GLN A 27 0.726 -19.793 -19.090 1.00 51.03 H new ATOM 0 HB3 GLN A 27 1.354 -20.207 -17.507 1.00 51.03 H new ATOM 0 HG2 GLN A 27 0.610 -22.532 -17.781 1.00 42.13 H new ATOM 0 HG3 GLN A 27 -0.130 -22.141 -19.321 1.00 42.13 H new ATOM 0 HE21 GLN A 27 1.184 -21.686 -21.160 1.00 34.43 H new ATOM 0 HE22 GLN A 27 2.881 -22.174 -21.203 1.00 34.43 H new ATOM 353 N CYS A 28 -1.374 -17.813 -18.150 1.00 64.52 N ATOM 354 CA CYS A 28 -1.484 -16.377 -17.928 1.00 14.03 C ATOM 355 C CYS A 28 -2.559 -16.069 -16.889 1.00 4.24 C ATOM 356 O CYS A 28 -2.317 -15.338 -15.927 1.00 61.14 O ATOM 357 CB CYS A 28 -1.808 -15.660 -19.240 1.00 11.00 C ATOM 358 SG CYS A 28 -2.783 -14.135 -19.033 1.00 44.12 S ATOM 0 H CYS A 28 -1.734 -18.129 -19.051 1.00 64.52 H new ATOM 0 HA CYS A 28 -0.526 -16.018 -17.553 1.00 14.03 H new ATOM 0 HB2 CYS A 28 -0.875 -15.416 -19.748 1.00 11.00 H new ATOM 0 HB3 CYS A 28 -2.355 -16.343 -19.889 1.00 11.00 H new ATOM 363 N CYS A 29 -3.746 -16.631 -17.088 1.00 61.15 N ATOM 364 CA CYS A 29 -4.858 -16.417 -16.170 1.00 70.54 C ATOM 365 C CYS A 29 -4.432 -16.682 -14.729 1.00 73.42 C ATOM 366 O CYS A 29 -4.864 -15.993 -13.806 1.00 75.24 O ATOM 367 CB CYS A 29 -6.034 -17.323 -16.541 1.00 61.42 C ATOM 368 SG CYS A 29 -7.055 -16.693 -17.912 1.00 10.13 S ATOM 0 H CYS A 29 -3.963 -17.239 -17.878 1.00 61.15 H new ATOM 0 HA CYS A 29 -5.170 -15.376 -16.252 1.00 70.54 H new ATOM 0 HB2 CYS A 29 -5.650 -18.307 -16.811 1.00 61.42 H new ATOM 0 HB3 CYS A 29 -6.666 -17.457 -15.663 1.00 61.42 H new ATOM 373 N GLY A 30 -3.581 -17.687 -14.544 1.00 42.15 N ATOM 374 CA GLY A 30 -3.110 -18.025 -13.214 1.00 34.50 C ATOM 375 C GLY A 30 -2.504 -16.838 -12.494 1.00 3.31 C ATOM 376 O GLY A 30 -2.732 -16.644 -11.301 1.00 4.44 O ATOM 0 H GLY A 30 -3.210 -18.273 -15.292 1.00 42.15 H new ATOM 0 HA2 GLY A 30 -3.940 -18.417 -12.627 1.00 34.50 H new ATOM 0 HA3 GLY A 30 -2.368 -18.820 -13.286 1.00 34.50 H new ATOM 380 N GLY A 31 -1.726 -16.040 -13.221 1.00 34.52 N ATOM 381 CA GLY A 31 -1.095 -14.877 -12.627 1.00 14.44 C ATOM 382 C GLY A 31 -2.070 -13.737 -12.408 1.00 53.43 C ATOM 383 O GLY A 31 -2.027 -13.062 -11.380 1.00 14.35 O ATOM 0 H GLY A 31 -1.522 -16.179 -14.211 1.00 34.52 H new ATOM 0 HA2 GLY A 31 -0.648 -15.157 -11.673 1.00 14.44 H new ATOM 0 HA3 GLY A 31 -0.284 -14.539 -13.272 1.00 14.44 H new ATOM 387 N VAL A 32 -2.952 -13.519 -13.379 1.00 64.34 N ATOM 388 CA VAL A 32 -3.941 -12.453 -13.289 1.00 53.51 C ATOM 389 C VAL A 32 -4.747 -12.558 -11.999 1.00 43.10 C ATOM 390 O VAL A 32 -4.843 -11.598 -11.234 1.00 21.44 O ATOM 391 CB VAL A 32 -4.907 -12.480 -14.488 1.00 74.23 C ATOM 392 CG1 VAL A 32 -5.929 -11.359 -14.377 1.00 34.21 C ATOM 393 CG2 VAL A 32 -4.136 -12.382 -15.796 1.00 11.42 C ATOM 0 H VAL A 32 -3.001 -14.068 -14.237 1.00 64.34 H new ATOM 0 HA VAL A 32 -3.392 -11.511 -13.296 1.00 53.51 H new ATOM 0 HB VAL A 32 -5.443 -13.429 -14.479 1.00 74.23 H new ATOM 0 HG11 VAL A 32 -6.603 -11.395 -15.233 1.00 34.21 H new ATOM 0 HG12 VAL A 32 -6.503 -11.480 -13.458 1.00 34.21 H new ATOM 0 HG13 VAL A 32 -5.415 -10.398 -14.360 1.00 34.21 H new ATOM 0 HG21 VAL A 32 -4.835 -12.403 -16.633 1.00 11.42 H new ATOM 0 HG22 VAL A 32 -3.572 -11.449 -15.817 1.00 11.42 H new ATOM 0 HG23 VAL A 32 -3.448 -13.224 -15.877 1.00 11.42 H new ATOM 403 N LYS A 33 -5.324 -13.731 -11.763 1.00 14.10 N ATOM 404 CA LYS A 33 -6.121 -13.965 -10.564 1.00 51.53 C ATOM 405 C LYS A 33 -5.300 -13.702 -9.306 1.00 32.33 C ATOM 406 O LYS A 33 -5.761 -13.036 -8.379 1.00 12.22 O ATOM 407 CB LYS A 33 -6.651 -15.400 -10.551 1.00 24.32 C ATOM 408 CG LYS A 33 -7.433 -15.772 -11.798 1.00 53.23 C ATOM 409 CD LYS A 33 -7.167 -17.208 -12.217 1.00 3.02 C ATOM 410 CE LYS A 33 -8.454 -18.014 -12.293 1.00 30.52 C ATOM 411 NZ LYS A 33 -8.662 -18.844 -11.074 1.00 25.04 N ATOM 0 H LYS A 33 -5.255 -14.535 -12.386 1.00 14.10 H new ATOM 0 HA LYS A 33 -6.964 -13.274 -10.577 1.00 51.53 H new ATOM 0 HB2 LYS A 33 -5.812 -16.087 -10.440 1.00 24.32 H new ATOM 0 HB3 LYS A 33 -7.290 -15.534 -9.678 1.00 24.32 H new ATOM 0 HG2 LYS A 33 -8.499 -15.638 -11.613 1.00 53.23 H new ATOM 0 HG3 LYS A 33 -7.163 -15.099 -12.612 1.00 53.23 H new ATOM 0 HD2 LYS A 33 -6.672 -17.219 -13.188 1.00 3.02 H new ATOM 0 HD3 LYS A 33 -6.485 -17.675 -11.506 1.00 3.02 H new ATOM 0 HE2 LYS A 33 -9.299 -17.337 -12.420 1.00 30.52 H new ATOM 0 HE3 LYS A 33 -8.427 -18.659 -13.171 1.00 30.52 H new ATOM 0 HZ1 LYS A 33 -9.550 -19.378 -11.165 1.00 25.04 H new ATOM 0 HZ2 LYS A 33 -7.868 -19.507 -10.966 1.00 25.04 H new ATOM 0 HZ3 LYS A 33 -8.713 -18.227 -10.238 1.00 25.04 H new ATOM 425 N LYS A 34 -4.081 -14.229 -9.280 1.00 22.42 N ATOM 426 CA LYS A 34 -3.194 -14.050 -8.137 1.00 24.54 C ATOM 427 C LYS A 34 -2.881 -12.574 -7.916 1.00 53.21 C ATOM 428 O LYS A 34 -2.874 -12.093 -6.782 1.00 40.22 O ATOM 429 CB LYS A 34 -1.894 -14.832 -8.346 1.00 15.21 C ATOM 430 CG LYS A 34 -0.725 -14.294 -7.540 1.00 43.22 C ATOM 431 CD LYS A 34 0.094 -13.296 -8.343 1.00 74.40 C ATOM 432 CE LYS A 34 1.576 -13.405 -8.021 1.00 42.42 C ATOM 433 NZ LYS A 34 2.052 -12.254 -7.204 1.00 32.21 N ATOM 0 H LYS A 34 -3.684 -14.784 -10.038 1.00 22.42 H new ATOM 0 HA LYS A 34 -3.703 -14.432 -7.252 1.00 24.54 H new ATOM 0 HB2 LYS A 34 -2.060 -15.875 -8.077 1.00 15.21 H new ATOM 0 HB3 LYS A 34 -1.634 -14.813 -9.404 1.00 15.21 H new ATOM 0 HG2 LYS A 34 -1.096 -13.816 -6.634 1.00 43.22 H new ATOM 0 HG3 LYS A 34 -0.087 -15.120 -7.226 1.00 43.22 H new ATOM 0 HD2 LYS A 34 -0.062 -13.469 -9.408 1.00 74.40 H new ATOM 0 HD3 LYS A 34 -0.252 -12.285 -8.130 1.00 74.40 H new ATOM 0 HE2 LYS A 34 1.763 -14.334 -7.483 1.00 42.42 H new ATOM 0 HE3 LYS A 34 2.147 -13.453 -8.948 1.00 42.42 H new ATOM 0 HZ1 LYS A 34 3.034 -12.423 -6.906 1.00 32.21 H new ATOM 0 HZ2 LYS A 34 2.007 -11.383 -7.771 1.00 32.21 H new ATOM 0 HZ3 LYS A 34 1.448 -12.151 -6.364 1.00 32.21 H new ATOM 447 N LEU A 35 -2.625 -11.859 -9.006 1.00 51.01 N ATOM 448 CA LEU A 35 -2.314 -10.436 -8.932 1.00 4.30 C ATOM 449 C LEU A 35 -3.516 -9.641 -8.432 1.00 44.54 C ATOM 450 O LEU A 35 -3.412 -8.875 -7.473 1.00 42.21 O ATOM 451 CB LEU A 35 -1.879 -9.917 -10.304 1.00 3.44 C ATOM 452 CG LEU A 35 -1.845 -8.397 -10.466 1.00 4.50 C ATOM 453 CD1 LEU A 35 -0.946 -7.767 -9.413 1.00 33.14 C ATOM 454 CD2 LEU A 35 -1.375 -8.020 -11.864 1.00 13.13 C ATOM 0 H LEU A 35 -2.627 -12.242 -9.952 1.00 51.01 H new ATOM 0 HA LEU A 35 -1.495 -10.304 -8.224 1.00 4.30 H new ATOM 0 HB2 LEU A 35 -0.885 -10.308 -10.520 1.00 3.44 H new ATOM 0 HB3 LEU A 35 -2.553 -10.328 -11.056 1.00 3.44 H new ATOM 0 HG LEU A 35 -2.856 -8.014 -10.328 1.00 4.50 H new ATOM 0 HD11 LEU A 35 -0.935 -6.685 -9.545 1.00 33.14 H new ATOM 0 HD12 LEU A 35 -1.325 -8.008 -8.420 1.00 33.14 H new ATOM 0 HD13 LEU A 35 0.067 -8.156 -9.519 1.00 33.14 H new ATOM 0 HD21 LEU A 35 -1.357 -6.935 -11.961 1.00 13.13 H new ATOM 0 HD22 LEU A 35 -0.373 -8.416 -12.030 1.00 13.13 H new ATOM 0 HD23 LEU A 35 -2.058 -8.439 -12.603 1.00 13.13 H new ATOM 466 N LEU A 36 -4.656 -9.828 -9.087 1.00 71.42 N ATOM 467 CA LEU A 36 -5.880 -9.130 -8.708 1.00 63.43 C ATOM 468 C LEU A 36 -6.295 -9.492 -7.286 1.00 3.13 C ATOM 469 O LEU A 36 -6.709 -8.630 -6.512 1.00 12.15 O ATOM 470 CB LEU A 36 -7.008 -9.472 -9.683 1.00 61.02 C ATOM 471 CG LEU A 36 -6.947 -8.785 -11.048 1.00 1.32 C ATOM 472 CD1 LEU A 36 -8.002 -9.357 -11.982 1.00 23.54 C ATOM 473 CD2 LEU A 36 -7.126 -7.281 -10.896 1.00 61.21 C ATOM 0 H LEU A 36 -4.759 -10.457 -9.883 1.00 71.42 H new ATOM 0 HA LEU A 36 -5.685 -8.058 -8.748 1.00 63.43 H new ATOM 0 HB2 LEU A 36 -7.010 -10.550 -9.841 1.00 61.02 H new ATOM 0 HB3 LEU A 36 -7.958 -9.217 -9.212 1.00 61.02 H new ATOM 0 HG LEU A 36 -5.966 -8.973 -11.484 1.00 1.32 H new ATOM 0 HD11 LEU A 36 -7.943 -8.856 -12.948 1.00 23.54 H new ATOM 0 HD12 LEU A 36 -7.829 -10.425 -12.116 1.00 23.54 H new ATOM 0 HD13 LEU A 36 -8.991 -9.201 -11.552 1.00 23.54 H new ATOM 0 HD21 LEU A 36 -7.080 -6.808 -11.877 1.00 61.21 H new ATOM 0 HD22 LEU A 36 -8.094 -7.074 -10.439 1.00 61.21 H new ATOM 0 HD23 LEU A 36 -6.333 -6.882 -10.263 1.00 61.21 H new ATOM 485 N ALA A 37 -6.178 -10.772 -6.948 1.00 71.01 N ATOM 486 CA ALA A 37 -6.537 -11.247 -5.618 1.00 0.14 C ATOM 487 C ALA A 37 -5.626 -10.643 -4.555 1.00 5.33 C ATOM 488 O ALA A 37 -5.966 -10.618 -3.373 1.00 14.14 O ATOM 489 CB ALA A 37 -6.477 -12.766 -5.565 1.00 61.35 C ATOM 0 H ALA A 37 -5.837 -11.499 -7.577 1.00 71.01 H new ATOM 0 HA ALA A 37 -7.558 -10.927 -5.409 1.00 0.14 H new ATOM 0 HB1 ALA A 37 -6.748 -13.106 -4.565 1.00 61.35 H new ATOM 0 HB2 ALA A 37 -7.174 -13.183 -6.291 1.00 61.35 H new ATOM 0 HB3 ALA A 37 -5.466 -13.099 -5.800 1.00 61.35 H new ATOM 495 N ALA A 38 -4.465 -10.157 -4.984 1.00 31.35 N ATOM 496 CA ALA A 38 -3.505 -9.552 -4.069 1.00 33.15 C ATOM 497 C ALA A 38 -3.822 -8.079 -3.836 1.00 14.23 C ATOM 498 O ALA A 38 -3.611 -7.554 -2.743 1.00 12.10 O ATOM 499 CB ALA A 38 -2.091 -9.711 -4.606 1.00 61.03 C ATOM 0 H ALA A 38 -4.167 -10.171 -5.959 1.00 31.35 H new ATOM 0 HA ALA A 38 -3.578 -10.068 -3.112 1.00 33.15 H new ATOM 0 HB1 ALA A 38 -1.385 -9.254 -3.912 1.00 61.03 H new ATOM 0 HB2 ALA A 38 -1.860 -10.771 -4.714 1.00 61.03 H new ATOM 0 HB3 ALA A 38 -2.013 -9.222 -5.577 1.00 61.03 H new ATOM 505 N ALA A 39 -4.330 -7.417 -4.870 1.00 41.14 N ATOM 506 CA ALA A 39 -4.677 -6.004 -4.778 1.00 31.33 C ATOM 507 C ALA A 39 -5.975 -5.808 -4.002 1.00 11.12 C ATOM 508 O ALA A 39 -6.995 -5.418 -4.569 1.00 2.44 O ATOM 509 CB ALA A 39 -4.794 -5.397 -6.168 1.00 22.11 C ATOM 0 H ALA A 39 -4.511 -7.837 -5.782 1.00 41.14 H new ATOM 0 HA ALA A 39 -3.880 -5.494 -4.237 1.00 31.33 H new ATOM 0 HB1 ALA A 39 -5.054 -4.342 -6.084 1.00 22.11 H new ATOM 0 HB2 ALA A 39 -3.842 -5.496 -6.690 1.00 22.11 H new ATOM 0 HB3 ALA A 39 -5.570 -5.918 -6.728 1.00 22.11 H new ATOM 515 N ASN A 40 -5.929 -6.082 -2.702 1.00 55.31 N ATOM 516 CA ASN A 40 -7.103 -5.936 -1.849 1.00 31.14 C ATOM 517 C ASN A 40 -7.041 -4.634 -1.055 1.00 62.35 C ATOM 518 O ASN A 40 -8.000 -4.258 -0.380 1.00 62.44 O ATOM 519 CB ASN A 40 -7.214 -7.125 -0.891 1.00 51.45 C ATOM 520 CG ASN A 40 -7.053 -8.455 -1.601 1.00 20.31 C ATOM 521 OD1 ASN A 40 -7.727 -8.606 -2.735 1.00 23.53 O flip ATOM 522 ND2 ASN A 40 -6.331 -9.336 -1.135 1.00 32.30 N flip ATOM 0 H ASN A 40 -5.092 -6.406 -2.217 1.00 55.31 H new ATOM 0 HA ASN A 40 -7.985 -5.909 -2.489 1.00 31.14 H new ATOM 0 HB2 ASN A 40 -6.453 -7.036 -0.115 1.00 51.45 H new ATOM 0 HB3 ASN A 40 -8.183 -7.097 -0.392 1.00 51.45 H new ATOM 0 HD21 ASN A 40 -5.831 -9.176 -0.260 1.00 32.30 H new ATOM 0 HD22 ASN A 40 -6.232 -10.226 -1.624 1.00 32.30 H new ATOM 529 N THR A 41 -5.905 -3.949 -1.142 1.00 50.41 N ATOM 530 CA THR A 41 -5.717 -2.689 -0.433 1.00 25.41 C ATOM 531 C THR A 41 -5.749 -1.507 -1.394 1.00 50.23 C ATOM 532 O THR A 41 -5.691 -1.681 -2.612 1.00 41.31 O ATOM 533 CB THR A 41 -4.383 -2.673 0.338 1.00 32.12 C ATOM 534 OG1 THR A 41 -3.487 -3.645 -0.212 1.00 41.34 O ATOM 535 CG2 THR A 41 -4.608 -2.962 1.815 1.00 73.44 C ATOM 0 H THR A 41 -5.102 -4.245 -1.696 1.00 50.41 H new ATOM 0 HA THR A 41 -6.540 -2.599 0.276 1.00 25.41 H new ATOM 0 HB THR A 41 -3.945 -1.680 0.241 1.00 32.12 H new ATOM 0 HG1 THR A 41 -2.740 -3.788 0.406 1.00 41.34 H new ATOM 0 HG21 THR A 41 -3.652 -2.945 2.339 1.00 73.44 H new ATOM 0 HG22 THR A 41 -5.267 -2.203 2.238 1.00 73.44 H new ATOM 0 HG23 THR A 41 -5.067 -3.944 1.928 1.00 73.44 H new ATOM 543 N THR A 42 -5.842 -0.302 -0.840 1.00 44.21 N ATOM 544 CA THR A 42 -5.882 0.910 -1.649 1.00 12.15 C ATOM 545 C THR A 42 -4.544 1.158 -2.335 1.00 1.30 C ATOM 546 O THR A 42 -4.464 1.319 -3.553 1.00 70.31 O ATOM 547 CB THR A 42 -6.246 2.141 -0.797 1.00 43.42 C ATOM 548 OG1 THR A 42 -7.669 2.261 -0.691 1.00 63.12 O ATOM 549 CG2 THR A 42 -5.669 3.410 -1.407 1.00 51.20 C ATOM 0 H THR A 42 -5.891 -0.140 0.166 1.00 44.21 H new ATOM 0 HA THR A 42 -6.652 0.760 -2.406 1.00 12.15 H new ATOM 0 HB THR A 42 -5.819 2.007 0.197 1.00 43.42 H new ATOM 0 HG1 THR A 42 -7.892 3.045 -0.147 1.00 63.12 H new ATOM 0 HG21 THR A 42 -5.939 4.266 -0.789 1.00 51.20 H new ATOM 0 HG22 THR A 42 -4.583 3.328 -1.459 1.00 51.20 H new ATOM 0 HG23 THR A 42 -6.071 3.547 -2.411 1.00 51.20 H new ATOM 557 N PRO A 43 -3.466 1.190 -1.538 1.00 1.45 N ATOM 558 CA PRO A 43 -2.110 1.417 -2.048 1.00 15.34 C ATOM 559 C PRO A 43 -1.593 0.238 -2.864 1.00 31.33 C ATOM 560 O PRO A 43 -0.533 0.317 -3.484 1.00 43.41 O ATOM 561 CB PRO A 43 -1.278 1.594 -0.775 1.00 63.34 C ATOM 562 CG PRO A 43 -2.033 0.858 0.277 1.00 52.10 C ATOM 563 CD PRO A 43 -3.487 1.007 -0.077 1.00 12.04 C ATOM 0 HA PRO A 43 -2.066 2.271 -2.724 1.00 15.34 H new ATOM 0 HB2 PRO A 43 -0.274 1.188 -0.899 1.00 63.34 H new ATOM 0 HB3 PRO A 43 -1.167 2.647 -0.518 1.00 63.34 H new ATOM 0 HG2 PRO A 43 -1.743 -0.192 0.303 1.00 52.10 H new ATOM 0 HG3 PRO A 43 -1.828 1.270 1.265 1.00 52.10 H new ATOM 0 HD2 PRO A 43 -4.062 0.127 0.209 1.00 12.04 H new ATOM 0 HD3 PRO A 43 -3.938 1.861 0.428 1.00 12.04 H new ATOM 571 N ASP A 44 -2.348 -0.855 -2.859 1.00 31.30 N ATOM 572 CA ASP A 44 -1.966 -2.052 -3.601 1.00 12.55 C ATOM 573 C ASP A 44 -2.489 -1.993 -5.033 1.00 21.15 C ATOM 574 O ASP A 44 -1.801 -2.395 -5.972 1.00 13.55 O ATOM 575 CB ASP A 44 -2.499 -3.303 -2.901 1.00 4.03 C ATOM 576 CG ASP A 44 -1.503 -3.884 -1.916 1.00 44.24 C ATOM 577 OD1 ASP A 44 -0.563 -3.160 -1.526 1.00 1.35 O ATOM 578 OD2 ASP A 44 -1.663 -5.062 -1.536 1.00 72.22 O ATOM 0 H ASP A 44 -3.228 -0.937 -2.350 1.00 31.30 H new ATOM 0 HA ASP A 44 -0.877 -2.099 -3.632 1.00 12.55 H new ATOM 0 HB2 ASP A 44 -3.423 -3.057 -2.377 1.00 4.03 H new ATOM 0 HB3 ASP A 44 -2.748 -4.056 -3.649 1.00 4.03 H new ATOM 583 N ARG A 45 -3.709 -1.492 -5.192 1.00 14.25 N ATOM 584 CA ARG A 45 -4.325 -1.383 -6.509 1.00 31.24 C ATOM 585 C ARG A 45 -3.739 -0.210 -7.288 1.00 1.53 C ATOM 586 O ARG A 45 -3.460 -0.322 -8.481 1.00 72.41 O ATOM 587 CB ARG A 45 -5.840 -1.215 -6.375 1.00 3.33 C ATOM 588 CG ARG A 45 -6.472 -2.164 -5.369 1.00 44.44 C ATOM 589 CD ARG A 45 -7.579 -2.990 -6.004 1.00 32.23 C ATOM 590 NE ARG A 45 -8.669 -3.254 -5.068 1.00 54.14 N ATOM 591 CZ ARG A 45 -9.887 -3.627 -5.446 1.00 32.24 C ATOM 592 NH1 ARG A 45 -10.168 -3.780 -6.732 1.00 75.42 N ATOM 593 NH2 ARG A 45 -10.826 -3.849 -4.535 1.00 14.42 N ATOM 0 H ARG A 45 -4.291 -1.155 -4.425 1.00 14.25 H new ATOM 0 HA ARG A 45 -4.116 -2.301 -7.057 1.00 31.24 H new ATOM 0 HB2 ARG A 45 -6.058 -0.189 -6.080 1.00 3.33 H new ATOM 0 HB3 ARG A 45 -6.302 -1.372 -7.350 1.00 3.33 H new ATOM 0 HG2 ARG A 45 -5.708 -2.827 -4.963 1.00 44.44 H new ATOM 0 HG3 ARG A 45 -6.876 -1.594 -4.533 1.00 44.44 H new ATOM 0 HD2 ARG A 45 -7.969 -2.465 -6.876 1.00 32.23 H new ATOM 0 HD3 ARG A 45 -7.168 -3.935 -6.359 1.00 32.23 H new ATOM 0 HE ARG A 45 -8.485 -3.146 -4.071 1.00 54.14 H new ATOM 0 HH11 ARG A 45 -9.448 -3.611 -7.435 1.00 75.42 H new ATOM 0 HH12 ARG A 45 -11.104 -4.066 -7.019 1.00 75.42 H new ATOM 0 HH21 ARG A 45 -10.613 -3.733 -3.544 1.00 14.42 H new ATOM 0 HH22 ARG A 45 -11.761 -4.135 -4.826 1.00 14.42 H new ATOM 607 N GLN A 46 -3.556 0.915 -6.604 1.00 45.40 N ATOM 608 CA GLN A 46 -3.004 2.110 -7.233 1.00 22.41 C ATOM 609 C GLN A 46 -1.634 1.822 -7.840 1.00 14.24 C ATOM 610 O GLN A 46 -1.421 2.019 -9.035 1.00 41.04 O ATOM 611 CB GLN A 46 -2.895 3.245 -6.213 1.00 61.41 C ATOM 612 CG GLN A 46 -4.226 3.633 -5.590 1.00 72.42 C ATOM 613 CD GLN A 46 -4.062 4.422 -4.307 1.00 2.34 C ATOM 614 OE1 GLN A 46 -3.549 3.911 -3.311 1.00 23.21 O ATOM 615 NE2 GLN A 46 -4.497 5.677 -4.323 1.00 34.41 N ATOM 0 H GLN A 46 -3.782 1.024 -5.615 1.00 45.40 H new ATOM 0 HA GLN A 46 -3.679 2.414 -8.033 1.00 22.41 H new ATOM 0 HB2 GLN A 46 -2.206 2.947 -5.422 1.00 61.41 H new ATOM 0 HB3 GLN A 46 -2.462 4.119 -6.700 1.00 61.41 H new ATOM 0 HG2 GLN A 46 -4.799 4.224 -6.305 1.00 72.42 H new ATOM 0 HG3 GLN A 46 -4.804 2.732 -5.386 1.00 72.42 H new ATOM 0 HE21 GLN A 46 -4.916 6.061 -5.170 1.00 34.41 H new ATOM 0 HE22 GLN A 46 -4.412 6.257 -3.488 1.00 34.41 H new ATOM 624 N ALA A 47 -0.710 1.356 -7.007 1.00 22.23 N ATOM 625 CA ALA A 47 0.639 1.040 -7.462 1.00 35.34 C ATOM 626 C ALA A 47 0.610 0.028 -8.603 1.00 10.54 C ATOM 627 O ALA A 47 1.212 0.247 -9.653 1.00 63.12 O ATOM 628 CB ALA A 47 1.475 0.511 -6.306 1.00 20.01 C ATOM 0 H ALA A 47 -0.870 1.189 -6.014 1.00 22.23 H new ATOM 0 HA ALA A 47 1.095 1.957 -7.836 1.00 35.34 H new ATOM 0 HB1 ALA A 47 2.480 0.279 -6.660 1.00 20.01 H new ATOM 0 HB2 ALA A 47 1.532 1.266 -5.522 1.00 20.01 H new ATOM 0 HB3 ALA A 47 1.014 -0.392 -5.907 1.00 20.01 H new ATOM 634 N ALA A 48 -0.093 -1.079 -8.388 1.00 40.23 N ATOM 635 CA ALA A 48 -0.201 -2.123 -9.400 1.00 23.05 C ATOM 636 C ALA A 48 -0.695 -1.554 -10.725 1.00 71.53 C ATOM 637 O ALA A 48 -0.172 -1.887 -11.789 1.00 63.11 O ATOM 638 CB ALA A 48 -1.128 -3.230 -8.919 1.00 1.50 C ATOM 0 H ALA A 48 -0.596 -1.276 -7.523 1.00 40.23 H new ATOM 0 HA ALA A 48 0.792 -2.541 -9.563 1.00 23.05 H new ATOM 0 HB1 ALA A 48 -1.200 -4.003 -9.684 1.00 1.50 H new ATOM 0 HB2 ALA A 48 -0.731 -3.664 -8.001 1.00 1.50 H new ATOM 0 HB3 ALA A 48 -2.118 -2.817 -8.727 1.00 1.50 H new ATOM 644 N CYS A 49 -1.707 -0.696 -10.655 1.00 3.21 N ATOM 645 CA CYS A 49 -2.273 -0.081 -11.849 1.00 74.34 C ATOM 646 C CYS A 49 -1.261 0.845 -12.517 1.00 60.21 C ATOM 647 O CYS A 49 -0.816 0.591 -13.636 1.00 12.42 O ATOM 648 CB CYS A 49 -3.540 0.701 -11.494 1.00 63.54 C ATOM 649 SG CYS A 49 -4.539 1.192 -12.936 1.00 44.32 S ATOM 0 H CYS A 49 -2.152 -0.411 -9.783 1.00 3.21 H new ATOM 0 HA CYS A 49 -2.529 -0.876 -12.550 1.00 74.34 H new ATOM 0 HB2 CYS A 49 -4.155 0.094 -10.829 1.00 63.54 H new ATOM 0 HB3 CYS A 49 -3.258 1.596 -10.939 1.00 63.54 H new ATOM 654 N ASN A 50 -0.902 1.919 -11.822 1.00 5.01 N ATOM 655 CA ASN A 50 0.058 2.884 -12.347 1.00 61.51 C ATOM 656 C ASN A 50 1.300 2.178 -12.885 1.00 15.23 C ATOM 657 O ASN A 50 1.824 2.538 -13.939 1.00 3.52 O ATOM 658 CB ASN A 50 0.456 3.882 -11.259 1.00 5.43 C ATOM 659 CG ASN A 50 -0.741 4.602 -10.668 1.00 22.42 C ATOM 660 OD1 ASN A 50 -1.606 5.090 -11.394 1.00 52.23 O ATOM 661 ND2 ASN A 50 -0.795 4.670 -9.343 1.00 20.33 N ATOM 0 H ASN A 50 -1.261 2.143 -10.894 1.00 5.01 H new ATOM 0 HA ASN A 50 -0.417 3.422 -13.168 1.00 61.51 H new ATOM 0 HB2 ASN A 50 0.989 3.357 -10.466 1.00 5.43 H new ATOM 0 HB3 ASN A 50 1.147 4.614 -11.677 1.00 5.43 H new ATOM 0 HD21 ASN A 50 -1.577 5.141 -8.888 1.00 20.33 H new ATOM 0 HD22 ASN A 50 -0.055 4.251 -8.780 1.00 20.33 H new ATOM 668 N CYS A 51 1.764 1.171 -12.153 1.00 61.34 N ATOM 669 CA CYS A 51 2.943 0.414 -12.555 1.00 64.43 C ATOM 670 C CYS A 51 2.812 -0.074 -13.995 1.00 71.32 C ATOM 671 O CYS A 51 3.698 0.149 -14.822 1.00 13.15 O ATOM 672 CB CYS A 51 3.154 -0.778 -11.619 1.00 11.22 C ATOM 673 SG CYS A 51 4.213 -0.416 -10.182 1.00 4.12 S ATOM 0 H CYS A 51 1.341 0.860 -11.278 1.00 61.34 H new ATOM 0 HA CYS A 51 3.807 1.075 -12.491 1.00 64.43 H new ATOM 0 HB2 CYS A 51 2.183 -1.124 -11.264 1.00 11.22 H new ATOM 0 HB3 CYS A 51 3.596 -1.597 -12.186 1.00 11.22 H new ATOM 678 N LEU A 52 1.701 -0.741 -14.289 1.00 21.12 N ATOM 679 CA LEU A 52 1.452 -1.261 -15.629 1.00 43.20 C ATOM 680 C LEU A 52 1.057 -0.139 -16.583 1.00 51.35 C ATOM 681 O LEU A 52 1.219 -0.256 -17.798 1.00 74.14 O ATOM 682 CB LEU A 52 0.353 -2.323 -15.589 1.00 74.33 C ATOM 683 CG LEU A 52 0.748 -3.677 -14.998 1.00 40.11 C ATOM 684 CD1 LEU A 52 -0.458 -4.358 -14.370 1.00 0.22 C ATOM 685 CD2 LEU A 52 1.368 -4.565 -16.067 1.00 74.21 C ATOM 0 H LEU A 52 0.958 -0.934 -13.617 1.00 21.12 H new ATOM 0 HA LEU A 52 2.374 -1.715 -15.993 1.00 43.20 H new ATOM 0 HB2 LEU A 52 -0.485 -1.929 -15.014 1.00 74.33 H new ATOM 0 HB3 LEU A 52 -0.006 -2.484 -16.606 1.00 74.33 H new ATOM 0 HG LEU A 52 1.491 -3.509 -14.218 1.00 40.11 H new ATOM 0 HD11 LEU A 52 -0.157 -5.320 -13.955 1.00 0.22 H new ATOM 0 HD12 LEU A 52 -0.858 -3.729 -13.575 1.00 0.22 H new ATOM 0 HD13 LEU A 52 -1.224 -4.514 -15.129 1.00 0.22 H new ATOM 0 HD21 LEU A 52 1.643 -5.524 -15.629 1.00 74.21 H new ATOM 0 HD22 LEU A 52 0.648 -4.726 -16.869 1.00 74.21 H new ATOM 0 HD23 LEU A 52 2.258 -4.082 -16.470 1.00 74.21 H new ATOM 697 N LYS A 53 0.539 0.951 -16.026 1.00 25.43 N ATOM 698 CA LYS A 53 0.124 2.097 -16.826 1.00 32.44 C ATOM 699 C LYS A 53 1.324 2.752 -17.503 1.00 34.54 C ATOM 700 O LYS A 53 1.262 3.120 -18.675 1.00 54.43 O ATOM 701 CB LYS A 53 -0.602 3.120 -15.949 1.00 71.02 C ATOM 702 CG LYS A 53 -1.948 2.636 -15.437 1.00 4.32 C ATOM 703 CD LYS A 53 -3.097 3.288 -16.187 1.00 11.42 C ATOM 704 CE LYS A 53 -3.025 2.999 -17.678 1.00 43.33 C ATOM 705 NZ LYS A 53 -2.314 4.079 -18.419 1.00 32.54 N ATOM 0 H LYS A 53 0.397 1.064 -15.022 1.00 25.43 H new ATOM 0 HA LYS A 53 -0.557 1.741 -17.599 1.00 32.44 H new ATOM 0 HB2 LYS A 53 0.032 3.372 -15.099 1.00 71.02 H new ATOM 0 HB3 LYS A 53 -0.748 4.037 -16.520 1.00 71.02 H new ATOM 0 HG2 LYS A 53 -2.011 1.553 -15.544 1.00 4.32 H new ATOM 0 HG3 LYS A 53 -2.035 2.857 -14.373 1.00 4.32 H new ATOM 0 HD2 LYS A 53 -4.045 2.924 -15.790 1.00 11.42 H new ATOM 0 HD3 LYS A 53 -3.075 4.365 -16.023 1.00 11.42 H new ATOM 0 HE2 LYS A 53 -2.513 2.050 -17.840 1.00 43.33 H new ATOM 0 HE3 LYS A 53 -4.034 2.889 -18.076 1.00 43.33 H new ATOM 0 HZ1 LYS A 53 -2.917 4.425 -19.192 1.00 32.54 H new ATOM 0 HZ2 LYS A 53 -2.100 4.863 -17.770 1.00 32.54 H new ATOM 0 HZ3 LYS A 53 -1.427 3.704 -18.813 1.00 32.54 H new ATOM 719 N SER A 54 2.415 2.891 -16.757 1.00 12.44 N ATOM 720 CA SER A 54 3.628 3.504 -17.285 1.00 23.14 C ATOM 721 C SER A 54 4.356 2.546 -18.224 1.00 12.54 C ATOM 722 O SER A 54 4.869 2.952 -19.266 1.00 54.21 O ATOM 723 CB SER A 54 4.556 3.917 -16.140 1.00 51.03 C ATOM 724 OG SER A 54 5.908 3.938 -16.562 1.00 44.45 O ATOM 0 H SER A 54 2.484 2.588 -15.786 1.00 12.44 H new ATOM 0 HA SER A 54 3.341 4.391 -17.849 1.00 23.14 H new ATOM 0 HB2 SER A 54 4.271 4.903 -15.774 1.00 51.03 H new ATOM 0 HB3 SER A 54 4.442 3.223 -15.307 1.00 51.03 H new ATOM 0 HG SER A 54 6.480 4.206 -15.813 1.00 44.45 H new ATOM 730 N ALA A 55 4.396 1.273 -17.845 1.00 52.14 N ATOM 731 CA ALA A 55 5.058 0.257 -18.653 1.00 61.44 C ATOM 732 C ALA A 55 4.260 -0.047 -19.917 1.00 14.34 C ATOM 733 O ALA A 55 4.747 -0.720 -20.824 1.00 24.23 O ATOM 734 CB ALA A 55 5.265 -1.012 -17.840 1.00 34.43 C ATOM 0 H ALA A 55 3.978 0.921 -16.984 1.00 52.14 H new ATOM 0 HA ALA A 55 6.031 0.646 -18.954 1.00 61.44 H new ATOM 0 HB1 ALA A 55 5.760 -1.762 -18.456 1.00 34.43 H new ATOM 0 HB2 ALA A 55 5.884 -0.790 -16.971 1.00 34.43 H new ATOM 0 HB3 ALA A 55 4.299 -1.394 -17.510 1.00 34.43 H new ATOM 740 N ALA A 56 3.030 0.454 -19.968 1.00 53.22 N ATOM 741 CA ALA A 56 2.164 0.238 -21.121 1.00 24.40 C ATOM 742 C ALA A 56 2.361 1.329 -22.168 1.00 23.31 C ATOM 743 O ALA A 56 2.088 1.125 -23.350 1.00 65.31 O ATOM 744 CB ALA A 56 0.708 0.179 -20.684 1.00 41.22 C ATOM 0 H ALA A 56 2.611 1.012 -19.224 1.00 53.22 H new ATOM 0 HA ALA A 56 2.435 -0.716 -21.574 1.00 24.40 H new ATOM 0 HB1 ALA A 56 0.073 0.017 -21.555 1.00 41.22 H new ATOM 0 HB2 ALA A 56 0.573 -0.641 -19.979 1.00 41.22 H new ATOM 0 HB3 ALA A 56 0.434 1.119 -20.204 1.00 41.22 H new ATOM 750 N GLY A 57 2.836 2.489 -21.725 1.00 65.10 N ATOM 751 CA GLY A 57 3.061 3.595 -22.637 1.00 13.31 C ATOM 752 C GLY A 57 4.222 3.345 -23.578 1.00 23.30 C ATOM 753 O GLY A 57 4.288 3.925 -24.662 1.00 23.33 O ATOM 0 H GLY A 57 3.069 2.682 -20.751 1.00 65.10 H new ATOM 0 HA2 GLY A 57 2.157 3.771 -23.220 1.00 13.31 H new ATOM 0 HA3 GLY A 57 3.252 4.502 -22.063 1.00 13.31 H new ATOM 757 N SER A 58 5.142 2.479 -23.163 1.00 40.51 N ATOM 758 CA SER A 58 6.310 2.158 -23.975 1.00 20.54 C ATOM 759 C SER A 58 6.020 0.980 -24.901 1.00 3.23 C ATOM 760 O SER A 58 6.909 0.494 -25.601 1.00 52.42 O ATOM 761 CB SER A 58 7.507 1.833 -23.078 1.00 54.51 C ATOM 762 OG SER A 58 7.748 2.879 -22.153 1.00 25.03 O ATOM 0 H SER A 58 5.101 1.988 -22.270 1.00 40.51 H new ATOM 0 HA SER A 58 6.548 3.029 -24.586 1.00 20.54 H new ATOM 0 HB2 SER A 58 7.321 0.903 -22.540 1.00 54.51 H new ATOM 0 HB3 SER A 58 8.394 1.674 -23.692 1.00 54.51 H new ATOM 0 HG SER A 58 8.516 2.647 -21.590 1.00 25.03 H new ATOM 768 N ILE A 59 4.771 0.527 -24.898 1.00 23.12 N ATOM 769 CA ILE A 59 4.363 -0.592 -25.738 1.00 25.32 C ATOM 770 C ILE A 59 3.532 -0.115 -26.923 1.00 75.34 C ATOM 771 O ILE A 59 2.525 0.573 -26.753 1.00 52.45 O ATOM 772 CB ILE A 59 3.551 -1.629 -24.939 1.00 44.12 C ATOM 773 CG1 ILE A 59 4.158 -1.822 -23.548 1.00 13.13 C ATOM 774 CG2 ILE A 59 3.499 -2.952 -25.688 1.00 61.14 C ATOM 775 CD1 ILE A 59 3.424 -2.842 -22.705 1.00 42.21 C ATOM 0 H ILE A 59 4.024 0.918 -24.323 1.00 23.12 H new ATOM 0 HA ILE A 59 5.276 -1.062 -26.104 1.00 25.32 H new ATOM 0 HB ILE A 59 2.532 -1.259 -24.822 1.00 44.12 H new ATOM 0 HG12 ILE A 59 5.198 -2.131 -23.654 1.00 13.13 H new ATOM 0 HG13 ILE A 59 4.161 -0.865 -23.026 1.00 13.13 H new ATOM 0 HG21 ILE A 59 2.922 -3.674 -25.111 1.00 61.14 H new ATOM 0 HG22 ILE A 59 3.026 -2.802 -26.659 1.00 61.14 H new ATOM 0 HG23 ILE A 59 4.512 -3.329 -25.832 1.00 61.14 H new ATOM 0 HD11 ILE A 59 3.909 -2.927 -21.733 1.00 42.21 H new ATOM 0 HD12 ILE A 59 2.390 -2.525 -22.568 1.00 42.21 H new ATOM 0 HD13 ILE A 59 3.443 -3.810 -23.206 1.00 42.21 H new ATOM 787 N THR A 60 3.958 -0.487 -28.127 1.00 33.55 N ATOM 788 CA THR A 60 3.252 -0.099 -29.341 1.00 44.32 C ATOM 789 C THR A 60 2.291 -1.192 -29.793 1.00 23.32 C ATOM 790 O THR A 60 1.276 -0.916 -30.433 1.00 65.20 O ATOM 791 CB THR A 60 4.235 0.211 -30.487 1.00 32.34 C ATOM 792 OG1 THR A 60 3.578 0.977 -31.502 1.00 74.12 O ATOM 793 CG2 THR A 60 4.785 -1.073 -31.089 1.00 61.12 C ATOM 0 H THR A 60 4.789 -1.057 -28.286 1.00 33.55 H new ATOM 0 HA THR A 60 2.686 0.802 -29.103 1.00 44.32 H new ATOM 0 HB THR A 60 5.065 0.787 -30.079 1.00 32.34 H new ATOM 0 HG1 THR A 60 4.210 1.171 -32.226 1.00 74.12 H new ATOM 0 HG21 THR A 60 5.476 -0.830 -31.896 1.00 61.12 H new ATOM 0 HG22 THR A 60 5.310 -1.640 -30.320 1.00 61.12 H new ATOM 0 HG23 THR A 60 3.963 -1.671 -31.483 1.00 61.12 H new ATOM 801 N LYS A 61 2.616 -2.436 -29.455 1.00 43.42 N ATOM 802 CA LYS A 61 1.781 -3.572 -29.824 1.00 30.41 C ATOM 803 C LYS A 61 0.769 -3.883 -28.725 1.00 62.05 C ATOM 804 O LYS A 61 0.158 -4.952 -28.715 1.00 31.43 O ATOM 805 CB LYS A 61 2.649 -4.803 -30.095 1.00 63.00 C ATOM 806 CG LYS A 61 3.181 -4.871 -31.516 1.00 42.01 C ATOM 807 CD LYS A 61 4.219 -5.970 -31.671 1.00 73.22 C ATOM 808 CE LYS A 61 3.600 -7.349 -31.497 1.00 4.11 C ATOM 809 NZ LYS A 61 4.605 -8.434 -31.674 1.00 51.24 N ATOM 0 H LYS A 61 3.452 -2.682 -28.926 1.00 43.42 H new ATOM 0 HA LYS A 61 1.237 -3.311 -30.732 1.00 30.41 H new ATOM 0 HB2 LYS A 61 3.489 -4.805 -29.401 1.00 63.00 H new ATOM 0 HB3 LYS A 61 2.065 -5.701 -29.891 1.00 63.00 H new ATOM 0 HG2 LYS A 61 2.356 -5.048 -32.206 1.00 42.01 H new ATOM 0 HG3 LYS A 61 3.622 -3.912 -31.787 1.00 42.01 H new ATOM 0 HD2 LYS A 61 4.682 -5.899 -32.655 1.00 73.22 H new ATOM 0 HD3 LYS A 61 5.011 -5.830 -30.936 1.00 73.22 H new ATOM 0 HE2 LYS A 61 3.155 -7.425 -30.505 1.00 4.11 H new ATOM 0 HE3 LYS A 61 2.794 -7.479 -32.219 1.00 4.11 H new ATOM 0 HZ1 LYS A 61 4.144 -9.358 -31.548 1.00 51.24 H new ATOM 0 HZ2 LYS A 61 5.012 -8.378 -32.629 1.00 51.24 H new ATOM 0 HZ3 LYS A 61 5.361 -8.325 -30.969 1.00 51.24 H new ATOM 823 N LEU A 62 0.596 -2.942 -27.804 1.00 30.22 N ATOM 824 CA LEU A 62 -0.344 -3.115 -26.701 1.00 44.13 C ATOM 825 C LEU A 62 -1.778 -3.186 -27.215 1.00 32.14 C ATOM 826 O LEU A 62 -2.246 -2.283 -27.906 1.00 42.43 O ATOM 827 CB LEU A 62 -0.204 -1.966 -25.701 1.00 40.35 C ATOM 828 CG LEU A 62 -1.216 -1.946 -24.556 1.00 34.13 C ATOM 829 CD1 LEU A 62 -0.840 -2.967 -23.493 1.00 4.41 C ATOM 830 CD2 LEU A 62 -1.310 -0.553 -23.951 1.00 11.04 C ATOM 0 H LEU A 62 1.094 -2.052 -27.798 1.00 30.22 H new ATOM 0 HA LEU A 62 -0.110 -4.054 -26.200 1.00 44.13 H new ATOM 0 HB2 LEU A 62 0.798 -2.003 -25.273 1.00 40.35 H new ATOM 0 HB3 LEU A 62 -0.283 -1.025 -26.246 1.00 40.35 H new ATOM 0 HG LEU A 62 -2.194 -2.213 -24.957 1.00 34.13 H new ATOM 0 HD11 LEU A 62 -1.572 -2.938 -22.686 1.00 4.41 H new ATOM 0 HD12 LEU A 62 -0.826 -3.963 -23.935 1.00 4.41 H new ATOM 0 HD13 LEU A 62 0.147 -2.732 -23.096 1.00 4.41 H new ATOM 0 HD21 LEU A 62 -2.035 -0.558 -23.137 1.00 11.04 H new ATOM 0 HD22 LEU A 62 -0.334 -0.257 -23.566 1.00 11.04 H new ATOM 0 HD23 LEU A 62 -1.628 0.155 -24.716 1.00 11.04 H new ATOM 842 N ASN A 63 -2.472 -4.266 -26.869 1.00 11.43 N ATOM 843 CA ASN A 63 -3.855 -4.454 -27.293 1.00 44.12 C ATOM 844 C ASN A 63 -4.817 -4.209 -26.135 1.00 74.21 C ATOM 845 O ASN A 63 -5.165 -5.131 -25.396 1.00 4.23 O ATOM 846 CB ASN A 63 -4.052 -5.867 -27.846 1.00 14.14 C ATOM 847 CG ASN A 63 -3.386 -6.059 -29.194 1.00 63.01 C ATOM 848 OD1 ASN A 63 -2.175 -5.884 -29.331 1.00 2.21 O ATOM 849 ND2 ASN A 63 -4.176 -6.421 -30.198 1.00 43.13 N ATOM 0 H ASN A 63 -2.100 -5.024 -26.297 1.00 11.43 H new ATOM 0 HA ASN A 63 -4.070 -3.730 -28.079 1.00 44.12 H new ATOM 0 HB2 ASN A 63 -3.648 -6.591 -27.138 1.00 14.14 H new ATOM 0 HB3 ASN A 63 -5.118 -6.073 -27.938 1.00 14.14 H new ATOM 0 HD21 ASN A 63 -3.784 -6.565 -31.129 1.00 43.13 H new ATOM 0 HD22 ASN A 63 -5.175 -6.555 -30.039 1.00 43.13 H new ATOM 856 N THR A 64 -5.246 -2.960 -25.983 1.00 74.11 N ATOM 857 CA THR A 64 -6.168 -2.593 -24.916 1.00 33.23 C ATOM 858 C THR A 64 -7.394 -3.499 -24.912 1.00 72.23 C ATOM 859 O THR A 64 -8.021 -3.707 -23.875 1.00 13.35 O ATOM 860 CB THR A 64 -6.627 -1.129 -25.048 1.00 41.41 C ATOM 861 OG1 THR A 64 -7.431 -0.971 -26.222 1.00 71.33 O ATOM 862 CG2 THR A 64 -5.431 -0.191 -25.117 1.00 63.21 C ATOM 0 H THR A 64 -4.969 -2.185 -26.586 1.00 74.11 H new ATOM 0 HA THR A 64 -5.627 -2.713 -23.977 1.00 33.23 H new ATOM 0 HB THR A 64 -7.217 -0.876 -24.167 1.00 41.41 H new ATOM 0 HG1 THR A 64 -7.720 -0.038 -26.297 1.00 71.33 H new ATOM 0 HG21 THR A 64 -5.780 0.837 -25.210 1.00 63.21 H new ATOM 0 HG22 THR A 64 -4.837 -0.292 -24.209 1.00 63.21 H new ATOM 0 HG23 THR A 64 -4.818 -0.446 -25.982 1.00 63.21 H new ATOM 870 N ASN A 65 -7.730 -4.037 -26.080 1.00 70.14 N ATOM 871 CA ASN A 65 -8.882 -4.922 -26.212 1.00 1.15 C ATOM 872 C ASN A 65 -8.677 -6.204 -25.410 1.00 12.31 C ATOM 873 O ASN A 65 -9.589 -6.676 -24.732 1.00 62.12 O ATOM 874 CB ASN A 65 -9.126 -5.261 -27.683 1.00 62.14 C ATOM 875 CG ASN A 65 -10.069 -4.281 -28.354 1.00 35.32 C ATOM 876 OD1 ASN A 65 -9.703 -3.139 -28.631 1.00 25.35 O ATOM 877 ND2 ASN A 65 -11.293 -4.725 -28.618 1.00 20.01 N ATOM 0 H ASN A 65 -7.221 -3.876 -26.949 1.00 70.14 H new ATOM 0 HA ASN A 65 -9.755 -4.402 -25.817 1.00 1.15 H new ATOM 0 HB2 ASN A 65 -8.174 -5.267 -28.214 1.00 62.14 H new ATOM 0 HB3 ASN A 65 -9.539 -6.267 -27.757 1.00 62.14 H new ATOM 0 HD21 ASN A 65 -11.972 -4.111 -29.068 1.00 20.01 H new ATOM 0 HD22 ASN A 65 -11.554 -5.680 -28.371 1.00 20.01 H new ATOM 884 N ASN A 66 -7.473 -6.761 -25.492 1.00 54.14 N ATOM 885 CA ASN A 66 -7.148 -7.988 -24.775 1.00 34.24 C ATOM 886 C ASN A 66 -6.926 -7.708 -23.291 1.00 72.34 C ATOM 887 O ASN A 66 -7.019 -8.610 -22.459 1.00 2.44 O ATOM 888 CB ASN A 66 -5.901 -8.639 -25.375 1.00 23.53 C ATOM 889 CG ASN A 66 -6.139 -9.160 -26.779 1.00 30.51 C ATOM 890 OD1 ASN A 66 -7.145 -9.817 -27.047 1.00 31.53 O ATOM 891 ND2 ASN A 66 -5.211 -8.869 -27.683 1.00 55.23 N ATOM 0 H ASN A 66 -6.706 -6.382 -26.048 1.00 54.14 H new ATOM 0 HA ASN A 66 -7.990 -8.672 -24.876 1.00 34.24 H new ATOM 0 HB2 ASN A 66 -5.088 -7.913 -25.393 1.00 23.53 H new ATOM 0 HB3 ASN A 66 -5.580 -9.461 -24.735 1.00 23.53 H new ATOM 0 HD21 ASN A 66 -5.316 -9.193 -28.644 1.00 55.23 H new ATOM 0 HD22 ASN A 66 -4.393 -8.321 -27.416 1.00 55.23 H new ATOM 898 N ALA A 67 -6.633 -6.453 -22.969 1.00 52.32 N ATOM 899 CA ALA A 67 -6.400 -6.053 -21.587 1.00 35.21 C ATOM 900 C ALA A 67 -7.709 -5.992 -20.805 1.00 65.05 C ATOM 901 O ALA A 67 -7.760 -6.361 -19.633 1.00 23.13 O ATOM 902 CB ALA A 67 -5.691 -4.708 -21.539 1.00 12.04 C ATOM 0 H ALA A 67 -6.551 -5.695 -23.647 1.00 52.32 H new ATOM 0 HA ALA A 67 -5.763 -6.804 -21.120 1.00 35.21 H new ATOM 0 HB1 ALA A 67 -5.524 -4.422 -20.501 1.00 12.04 H new ATOM 0 HB2 ALA A 67 -4.733 -4.783 -22.054 1.00 12.04 H new ATOM 0 HB3 ALA A 67 -6.308 -3.954 -22.028 1.00 12.04 H new ATOM 908 N ALA A 68 -8.764 -5.523 -21.463 1.00 41.01 N ATOM 909 CA ALA A 68 -10.072 -5.415 -20.830 1.00 53.20 C ATOM 910 C ALA A 68 -10.734 -6.783 -20.700 1.00 52.54 C ATOM 911 O ALA A 68 -11.379 -7.078 -19.695 1.00 12.52 O ATOM 912 CB ALA A 68 -10.964 -4.468 -21.619 1.00 41.42 C ATOM 0 H ALA A 68 -8.738 -5.212 -22.434 1.00 41.01 H new ATOM 0 HA ALA A 68 -9.930 -5.012 -19.827 1.00 53.20 H new ATOM 0 HB1 ALA A 68 -11.938 -4.397 -21.135 1.00 41.42 H new ATOM 0 HB2 ALA A 68 -10.504 -3.480 -21.655 1.00 41.42 H new ATOM 0 HB3 ALA A 68 -11.090 -4.847 -22.633 1.00 41.42 H new ATOM 918 N ALA A 69 -10.571 -7.613 -21.725 1.00 24.43 N ATOM 919 CA ALA A 69 -11.151 -8.950 -21.724 1.00 73.31 C ATOM 920 C ALA A 69 -10.232 -9.948 -21.027 1.00 14.31 C ATOM 921 O ALA A 69 -10.618 -11.089 -20.770 1.00 54.13 O ATOM 922 CB ALA A 69 -11.439 -9.401 -23.149 1.00 30.35 C ATOM 0 H ALA A 69 -10.042 -7.383 -22.566 1.00 24.43 H new ATOM 0 HA ALA A 69 -12.089 -8.912 -21.169 1.00 73.31 H new ATOM 0 HB1 ALA A 69 -11.872 -10.401 -23.134 1.00 30.35 H new ATOM 0 HB2 ALA A 69 -12.141 -8.709 -23.615 1.00 30.35 H new ATOM 0 HB3 ALA A 69 -10.511 -9.416 -23.720 1.00 30.35 H new ATOM 928 N LEU A 70 -9.015 -9.511 -20.723 1.00 71.11 N ATOM 929 CA LEU A 70 -8.040 -10.366 -20.056 1.00 21.45 C ATOM 930 C LEU A 70 -8.604 -10.920 -18.751 1.00 72.52 C ATOM 931 O LEU A 70 -8.707 -12.132 -18.556 1.00 2.34 O ATOM 932 CB LEU A 70 -6.754 -9.586 -19.777 1.00 62.34 C ATOM 933 CG LEU A 70 -5.949 -10.032 -18.556 1.00 71.30 C ATOM 934 CD1 LEU A 70 -5.488 -11.472 -18.718 1.00 24.34 C ATOM 935 CD2 LEU A 70 -4.759 -9.110 -18.336 1.00 23.20 C ATOM 0 H LEU A 70 -8.680 -8.570 -20.928 1.00 71.11 H new ATOM 0 HA LEU A 70 -7.815 -11.202 -20.718 1.00 21.45 H new ATOM 0 HB2 LEU A 70 -6.112 -9.656 -20.655 1.00 62.34 H new ATOM 0 HB3 LEU A 70 -7.011 -8.534 -19.653 1.00 62.34 H new ATOM 0 HG LEU A 70 -6.594 -9.975 -17.679 1.00 71.30 H new ATOM 0 HD11 LEU A 70 -4.917 -11.772 -17.840 1.00 24.34 H new ATOM 0 HD12 LEU A 70 -6.356 -12.122 -18.826 1.00 24.34 H new ATOM 0 HD13 LEU A 70 -4.860 -11.555 -19.605 1.00 24.34 H new ATOM 0 HD21 LEU A 70 -4.198 -9.443 -17.463 1.00 23.20 H new ATOM 0 HD22 LEU A 70 -4.113 -9.134 -19.214 1.00 23.20 H new ATOM 0 HD23 LEU A 70 -5.113 -8.092 -18.174 1.00 23.20 H new ATOM 947 N PRO A 71 -8.982 -10.014 -17.837 1.00 64.32 N ATOM 948 CA PRO A 71 -9.545 -10.389 -16.537 1.00 2.13 C ATOM 949 C PRO A 71 -10.941 -10.989 -16.661 1.00 20.41 C ATOM 950 O PRO A 71 -11.361 -11.787 -15.824 1.00 11.24 O ATOM 951 CB PRO A 71 -9.600 -9.061 -15.778 1.00 3.40 C ATOM 952 CG PRO A 71 -9.679 -8.020 -16.841 1.00 70.11 C ATOM 953 CD PRO A 71 -8.888 -8.554 -18.003 1.00 60.11 C ATOM 0 HA PRO A 71 -8.949 -11.155 -16.041 1.00 2.13 H new ATOM 0 HB2 PRO A 71 -10.466 -9.018 -15.117 1.00 3.40 H new ATOM 0 HB3 PRO A 71 -8.716 -8.924 -15.155 1.00 3.40 H new ATOM 0 HG2 PRO A 71 -10.714 -7.832 -17.127 1.00 70.11 H new ATOM 0 HG3 PRO A 71 -9.268 -7.073 -16.491 1.00 70.11 H new ATOM 0 HD2 PRO A 71 -9.306 -8.230 -18.956 1.00 60.11 H new ATOM 0 HD3 PRO A 71 -7.853 -8.212 -17.976 1.00 60.11 H new ATOM 961 N GLY A 72 -11.656 -10.601 -17.713 1.00 31.15 N ATOM 962 CA GLY A 72 -12.997 -11.112 -17.927 1.00 15.41 C ATOM 963 C GLY A 72 -13.003 -12.563 -18.362 1.00 65.54 C ATOM 964 O GLY A 72 -13.763 -13.376 -17.835 1.00 2.52 O ATOM 0 H GLY A 72 -11.330 -9.942 -18.420 1.00 31.15 H new ATOM 0 HA2 GLY A 72 -13.572 -11.010 -17.007 1.00 15.41 H new ATOM 0 HA3 GLY A 72 -13.496 -10.507 -18.684 1.00 15.41 H new ATOM 968 N LYS A 73 -12.153 -12.892 -19.330 1.00 20.33 N ATOM 969 CA LYS A 73 -12.062 -14.256 -19.838 1.00 4.04 C ATOM 970 C LYS A 73 -11.495 -15.195 -18.777 1.00 53.31 C ATOM 971 O LYS A 73 -11.716 -16.405 -18.824 1.00 25.44 O ATOM 972 CB LYS A 73 -11.185 -14.298 -21.091 1.00 41.52 C ATOM 973 CG LYS A 73 -11.794 -13.580 -22.283 1.00 41.04 C ATOM 974 CD LYS A 73 -12.010 -14.526 -23.453 1.00 14.13 C ATOM 975 CE LYS A 73 -12.259 -13.765 -24.746 1.00 75.41 C ATOM 976 NZ LYS A 73 -12.418 -14.684 -25.908 1.00 11.33 N ATOM 0 H LYS A 73 -11.517 -12.232 -19.778 1.00 20.33 H new ATOM 0 HA LYS A 73 -13.068 -14.589 -20.094 1.00 4.04 H new ATOM 0 HB2 LYS A 73 -10.218 -13.850 -20.863 1.00 41.52 H new ATOM 0 HB3 LYS A 73 -10.999 -15.338 -21.360 1.00 41.52 H new ATOM 0 HG2 LYS A 73 -12.746 -13.135 -21.993 1.00 41.04 H new ATOM 0 HG3 LYS A 73 -11.140 -12.763 -22.590 1.00 41.04 H new ATOM 0 HD2 LYS A 73 -11.137 -15.168 -23.570 1.00 14.13 H new ATOM 0 HD3 LYS A 73 -12.858 -15.177 -23.244 1.00 14.13 H new ATOM 0 HE2 LYS A 73 -13.155 -13.154 -24.641 1.00 75.41 H new ATOM 0 HE3 LYS A 73 -11.429 -13.084 -24.932 1.00 75.41 H new ATOM 0 HZ1 LYS A 73 -12.586 -14.127 -26.770 1.00 11.33 H new ATOM 0 HZ2 LYS A 73 -11.553 -15.250 -26.024 1.00 11.33 H new ATOM 0 HZ3 LYS A 73 -13.226 -15.317 -25.742 1.00 11.33 H new ATOM 990 N CYS A 74 -10.766 -14.629 -17.821 1.00 52.10 N ATOM 991 CA CYS A 74 -10.169 -15.415 -16.748 1.00 11.51 C ATOM 992 C CYS A 74 -11.131 -15.548 -15.571 1.00 54.02 C ATOM 993 O CYS A 74 -10.772 -16.072 -14.518 1.00 3.33 O ATOM 994 CB CYS A 74 -8.862 -14.770 -16.282 1.00 14.53 C ATOM 995 SG CYS A 74 -7.535 -14.793 -17.529 1.00 71.03 S ATOM 0 H CYS A 74 -10.574 -13.629 -17.768 1.00 52.10 H new ATOM 0 HA CYS A 74 -9.957 -16.411 -17.136 1.00 11.51 H new ATOM 0 HB2 CYS A 74 -9.061 -13.737 -15.998 1.00 14.53 H new ATOM 0 HB3 CYS A 74 -8.514 -15.286 -15.387 1.00 14.53 H new ATOM 1000 N GLY A 75 -12.358 -15.070 -15.759 1.00 41.04 N ATOM 1001 CA GLY A 75 -13.353 -15.145 -14.706 1.00 72.30 C ATOM 1002 C GLY A 75 -12.911 -14.440 -13.439 1.00 52.12 C ATOM 1003 O GLY A 75 -12.576 -15.085 -12.445 1.00 51.35 O ATOM 0 H GLY A 75 -12.680 -14.632 -16.622 1.00 41.04 H new ATOM 0 HA2 GLY A 75 -14.284 -14.702 -15.058 1.00 72.30 H new ATOM 0 HA3 GLY A 75 -13.562 -16.191 -14.482 1.00 72.30 H new ATOM 1007 N VAL A 76 -12.908 -13.111 -13.474 1.00 34.12 N ATOM 1008 CA VAL A 76 -12.504 -12.317 -12.320 1.00 25.21 C ATOM 1009 C VAL A 76 -13.526 -11.227 -12.017 1.00 25.32 C ATOM 1010 O VAL A 76 -14.243 -10.771 -12.905 1.00 75.15 O ATOM 1011 CB VAL A 76 -11.126 -11.666 -12.542 1.00 44.14 C ATOM 1012 CG1 VAL A 76 -10.600 -11.072 -11.245 1.00 2.15 C ATOM 1013 CG2 VAL A 76 -10.144 -12.679 -13.111 1.00 5.00 C ATOM 0 H VAL A 76 -13.181 -12.562 -14.289 1.00 34.12 H new ATOM 0 HA VAL A 76 -12.443 -12.999 -11.472 1.00 25.21 H new ATOM 0 HB VAL A 76 -11.238 -10.857 -13.264 1.00 44.14 H new ATOM 0 HG11 VAL A 76 -9.626 -10.617 -11.422 1.00 2.15 H new ATOM 0 HG12 VAL A 76 -11.295 -10.314 -10.884 1.00 2.15 H new ATOM 0 HG13 VAL A 76 -10.502 -11.859 -10.498 1.00 2.15 H new ATOM 0 HG21 VAL A 76 -9.176 -12.202 -13.262 1.00 5.00 H new ATOM 0 HG22 VAL A 76 -10.035 -13.510 -12.415 1.00 5.00 H new ATOM 0 HG23 VAL A 76 -10.517 -13.051 -14.065 1.00 5.00 H new ATOM 1132 N SER A 83 -10.251 1.072 -18.457 1.00 31.31 N ATOM 1133 CA SER A 83 -9.837 2.204 -19.277 1.00 3.11 C ATOM 1134 C SER A 83 -8.444 2.683 -18.878 1.00 12.01 C ATOM 1135 O SER A 83 -8.252 3.240 -17.797 1.00 2.43 O ATOM 1136 CB SER A 83 -10.840 3.351 -19.144 1.00 54.14 C ATOM 1137 OG SER A 83 -10.299 4.562 -19.643 1.00 54.21 O ATOM 0 HA SER A 83 -9.806 1.876 -20.316 1.00 3.11 H new ATOM 0 HB2 SER A 83 -11.752 3.105 -19.688 1.00 54.14 H new ATOM 0 HB3 SER A 83 -11.117 3.477 -18.097 1.00 54.14 H new ATOM 0 HG SER A 83 -11.002 5.243 -19.681 1.00 54.21 H new ATOM 1143 N THR A 84 -7.474 2.462 -19.759 1.00 61.44 N ATOM 1144 CA THR A 84 -6.099 2.868 -19.501 1.00 4.55 C ATOM 1145 C THR A 84 -6.005 4.372 -19.269 1.00 5.24 C ATOM 1146 O THR A 84 -5.030 4.864 -18.699 1.00 23.33 O ATOM 1147 CB THR A 84 -5.169 2.481 -20.666 1.00 52.13 C ATOM 1148 OG1 THR A 84 -5.591 3.136 -21.868 1.00 11.44 O ATOM 1149 CG2 THR A 84 -5.166 0.975 -20.878 1.00 72.24 C ATOM 0 H THR A 84 -7.616 2.003 -20.659 1.00 61.44 H new ATOM 0 HA THR A 84 -5.778 2.343 -18.601 1.00 4.55 H new ATOM 0 HB THR A 84 -4.157 2.799 -20.415 1.00 52.13 H new ATOM 0 HG1 THR A 84 -4.994 2.886 -22.604 1.00 11.44 H new ATOM 0 HG21 THR A 84 -4.502 0.725 -21.706 1.00 72.24 H new ATOM 0 HG22 THR A 84 -4.817 0.481 -19.971 1.00 72.24 H new ATOM 0 HG23 THR A 84 -6.177 0.638 -21.109 1.00 72.24 H new ATOM 1157 N THR A 85 -7.024 5.100 -19.713 1.00 74.02 N ATOM 1158 CA THR A 85 -7.056 6.548 -19.554 1.00 54.34 C ATOM 1159 C THR A 85 -7.577 6.939 -18.176 1.00 20.10 C ATOM 1160 O THR A 85 -7.583 8.116 -17.813 1.00 74.22 O ATOM 1161 CB THR A 85 -7.937 7.212 -20.630 1.00 44.12 C ATOM 1162 OG1 THR A 85 -9.308 6.848 -20.435 1.00 25.51 O ATOM 1163 CG2 THR A 85 -7.491 6.799 -22.025 1.00 5.43 C ATOM 0 H THR A 85 -7.839 4.710 -20.186 1.00 74.02 H new ATOM 0 HA THR A 85 -6.031 6.900 -19.665 1.00 54.34 H new ATOM 0 HB THR A 85 -7.832 8.293 -20.537 1.00 44.12 H new ATOM 0 HG1 THR A 85 -9.356 5.951 -20.043 1.00 25.51 H new ATOM 0 HG21 THR A 85 -8.127 7.280 -22.768 1.00 5.43 H new ATOM 0 HG22 THR A 85 -6.456 7.104 -22.181 1.00 5.43 H new ATOM 0 HG23 THR A 85 -7.569 5.717 -22.126 1.00 5.43 H new ATOM 1171 N THR A 86 -8.013 5.944 -17.409 1.00 52.23 N ATOM 1172 CA THR A 86 -8.536 6.184 -16.070 1.00 53.04 C ATOM 1173 C THR A 86 -7.407 6.415 -15.072 1.00 55.34 C ATOM 1174 O THR A 86 -6.347 5.800 -15.167 1.00 63.53 O ATOM 1175 CB THR A 86 -9.401 5.005 -15.586 1.00 12.23 C ATOM 1176 OG1 THR A 86 -10.576 4.893 -16.397 1.00 65.14 O ATOM 1177 CG2 THR A 86 -9.801 5.190 -14.130 1.00 1.15 C ATOM 0 H THR A 86 -8.014 4.964 -17.693 1.00 52.23 H new ATOM 0 HA THR A 86 -9.155 7.080 -16.128 1.00 53.04 H new ATOM 0 HB THR A 86 -8.812 4.092 -15.672 1.00 12.23 H new ATOM 0 HG1 THR A 86 -11.193 4.249 -15.991 1.00 65.14 H new ATOM 0 HG21 THR A 86 -10.411 4.345 -13.810 1.00 1.15 H new ATOM 0 HG22 THR A 86 -8.906 5.246 -13.511 1.00 1.15 H new ATOM 0 HG23 THR A 86 -10.373 6.112 -14.024 1.00 1.15 H new ATOM 1185 N ASN A 87 -7.643 7.307 -14.115 1.00 75.31 N ATOM 1186 CA ASN A 87 -6.645 7.619 -13.099 1.00 14.03 C ATOM 1187 C ASN A 87 -6.713 6.622 -11.946 1.00 24.12 C ATOM 1188 O ASN A 87 -7.655 6.635 -11.153 1.00 70.24 O ATOM 1189 CB ASN A 87 -6.852 9.040 -12.571 1.00 41.31 C ATOM 1190 CG ASN A 87 -5.554 9.686 -12.125 1.00 71.15 C ATOM 1191 OD1 ASN A 87 -4.473 9.310 -12.579 1.00 31.21 O ATOM 1192 ND2 ASN A 87 -5.656 10.663 -11.232 1.00 41.33 N ATOM 0 H ASN A 87 -8.516 7.826 -14.022 1.00 75.31 H new ATOM 0 HA ASN A 87 -5.660 7.549 -13.559 1.00 14.03 H new ATOM 0 HB2 ASN A 87 -7.310 9.651 -13.349 1.00 41.31 H new ATOM 0 HB3 ASN A 87 -7.549 9.016 -11.733 1.00 41.31 H new ATOM 0 HD21 ASN A 87 -4.817 11.135 -10.895 1.00 41.33 H new ATOM 0 HD22 ASN A 87 -6.573 10.942 -10.883 1.00 41.33 H new ATOM 1199 N CYS A 88 -5.706 5.759 -11.858 1.00 71.20 N ATOM 1200 CA CYS A 88 -5.649 4.754 -10.803 1.00 13.41 C ATOM 1201 C CYS A 88 -5.344 5.399 -9.454 1.00 13.31 C ATOM 1202 O CYS A 88 -5.392 4.742 -8.415 1.00 61.23 O ATOM 1203 CB CYS A 88 -4.588 3.702 -11.129 1.00 31.43 C ATOM 1204 SG CYS A 88 -4.565 3.185 -12.876 1.00 0.15 S ATOM 0 H CYS A 88 -4.918 5.736 -12.505 1.00 71.20 H new ATOM 0 HA CYS A 88 -6.624 4.270 -10.743 1.00 13.41 H new ATOM 0 HB2 CYS A 88 -3.607 4.097 -10.865 1.00 31.43 H new ATOM 0 HB3 CYS A 88 -4.757 2.825 -10.504 1.00 31.43 H new ATOM 1209 N ASN A 89 -5.031 6.691 -9.479 1.00 33.21 N ATOM 1210 CA ASN A 89 -4.718 7.425 -8.258 1.00 53.24 C ATOM 1211 C ASN A 89 -5.993 7.810 -7.513 1.00 44.22 C ATOM 1212 O ASN A 89 -5.961 8.108 -6.319 1.00 33.14 O ATOM 1213 CB ASN A 89 -3.908 8.680 -8.587 1.00 45.34 C ATOM 1214 CG ASN A 89 -2.448 8.371 -8.860 1.00 72.04 C ATOM 1215 OD1 ASN A 89 -2.007 7.230 -8.721 1.00 14.02 O ATOM 1216 ND2 ASN A 89 -1.691 9.389 -9.252 1.00 1.24 N ATOM 0 H ASN A 89 -4.987 7.251 -10.331 1.00 33.21 H new ATOM 0 HA ASN A 89 -4.124 6.775 -7.615 1.00 53.24 H new ATOM 0 HB2 ASN A 89 -4.342 9.171 -9.458 1.00 45.34 H new ATOM 0 HB3 ASN A 89 -3.979 9.383 -7.757 1.00 45.34 H new ATOM 0 HD21 ASN A 89 -0.702 9.242 -9.451 1.00 1.24 H new ATOM 0 HD22 ASN A 89 -2.099 10.318 -9.354 1.00 1.24 H new ATOM 1223 N THR A 90 -7.115 7.802 -8.227 1.00 25.45 N ATOM 1224 CA THR A 90 -8.400 8.150 -7.634 1.00 44.11 C ATOM 1225 C THR A 90 -9.140 6.906 -7.156 1.00 52.25 C ATOM 1226 O THR A 90 -10.321 6.968 -6.813 1.00 61.22 O ATOM 1227 CB THR A 90 -9.291 8.912 -8.633 1.00 44.30 C ATOM 1228 OG1 THR A 90 -9.499 8.120 -9.808 1.00 25.15 O ATOM 1229 CG2 THR A 90 -8.658 10.241 -9.017 1.00 53.43 C ATOM 0 H THR A 90 -7.159 7.558 -9.216 1.00 25.45 H new ATOM 0 HA THR A 90 -8.190 8.795 -6.780 1.00 44.11 H new ATOM 0 HB THR A 90 -10.250 9.109 -8.154 1.00 44.30 H new ATOM 0 HG1 THR A 90 -8.634 7.814 -10.154 1.00 25.15 H new ATOM 0 HG21 THR A 90 -9.305 10.762 -9.723 1.00 53.43 H new ATOM 0 HG22 THR A 90 -8.528 10.853 -8.125 1.00 53.43 H new ATOM 0 HG23 THR A 90 -7.687 10.062 -9.479 1.00 53.43 H new ATOM 1237 N VAL A 91 -8.439 5.777 -7.136 1.00 72.01 N ATOM 1238 CA VAL A 91 -9.030 4.518 -6.698 1.00 52.14 C ATOM 1239 C VAL A 91 -8.788 4.285 -5.211 1.00 61.24 C ATOM 1240 O VAL A 91 -8.941 3.169 -4.713 1.00 44.34 O ATOM 1241 CB VAL A 91 -8.464 3.326 -7.493 1.00 10.12 C ATOM 1242 CG1 VAL A 91 -8.334 3.680 -8.966 1.00 65.14 C ATOM 1243 CG2 VAL A 91 -7.123 2.893 -6.919 1.00 74.23 C ATOM 0 H VAL A 91 -7.461 5.708 -7.418 1.00 72.01 H new ATOM 0 HA VAL A 91 -10.102 4.591 -6.881 1.00 52.14 H new ATOM 0 HB VAL A 91 -9.158 2.490 -7.406 1.00 10.12 H new ATOM 0 HG11 VAL A 91 -7.933 2.826 -9.511 1.00 65.14 H new ATOM 0 HG12 VAL A 91 -9.315 3.938 -9.366 1.00 65.14 H new ATOM 0 HG13 VAL A 91 -7.661 4.530 -9.078 1.00 65.14 H new ATOM 0 HG21 VAL A 91 -6.737 2.050 -7.492 1.00 74.23 H new ATOM 0 HG22 VAL A 91 -6.418 3.723 -6.975 1.00 74.23 H new ATOM 0 HG23 VAL A 91 -7.252 2.596 -5.878 1.00 74.23 H new