USER MOD reduce.3.24.130724 H: found=0, std=0, add=565, rem=0, adj=20 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 17 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 66 ASN : amide:sc= -3.25 K(o=-3.3,f=-2.4) USER MOD Set 2.1: A 50 ASN : amide:sc= -2 K(o=-2.4,f=-3!) USER MOD Set 2.2: A 89 ASN : amide:sc= -0.414 X(o=-2.4,f=-2.5) 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 103:sc= 0.648 USER MOD Single : A 12 SER OG : rot 180:sc= -0.148 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 16:sc= 0.945 USER MOD Single : A 25 SER OG : rot 180:sc= 0.0598 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -0.173 X(o=-0.17,f=-0.17) USER MOD Single : A 41 THR OG1 : rot -168:sc= -3.26! USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -0.439 K(o=-0.44,f=-3.4!) USER MOD Single : A 53 LYS NZ :NH3+ -164:sc= -0.115 (180deg=-0.293) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot -46:sc=0.000122 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= -3.08 K(o=-3.1,f=-5!) 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 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot -26:sc= 0.476 USER MOD Single : A 86 THR OG1 : rot -160:sc= -1.06 USER MOD Single : A 87 ASN : amide:sc= -0.259 K(o=-0.26,f=-2.4!) USER MOD Single : A 90 THR OG1 : rot -45:sc= 0.272 USER MOD ----------------------------------------------------------------- ATOM 11 N ILE A 2 3.100 -1.544 -2.818 1.00 41.23 N ATOM 12 CA ILE A 2 3.444 -2.849 -3.368 1.00 74.15 C ATOM 13 C ILE A 2 4.730 -2.781 -4.184 1.00 42.41 C ATOM 14 O ILE A 2 5.357 -1.726 -4.287 1.00 31.14 O ATOM 15 CB ILE A 2 2.314 -3.400 -4.258 1.00 73.13 C ATOM 16 CG1 ILE A 2 1.892 -2.353 -5.291 1.00 60.23 C ATOM 17 CG2 ILE A 2 1.125 -3.820 -3.406 1.00 44.11 C ATOM 18 CD1 ILE A 2 0.902 -2.874 -6.309 1.00 54.44 C ATOM 0 HA ILE A 2 3.589 -3.520 -2.521 1.00 74.15 H new ATOM 0 HB ILE A 2 2.685 -4.277 -4.788 1.00 73.13 H new ATOM 0 HG12 ILE A 2 1.454 -1.500 -4.773 1.00 60.23 H new ATOM 0 HG13 ILE A 2 2.778 -1.989 -5.811 1.00 60.23 H new ATOM 0 HG21 ILE A 2 0.335 -4.207 -4.049 1.00 44.11 H new ATOM 0 HG22 ILE A 2 1.435 -4.595 -2.706 1.00 44.11 H new ATOM 0 HG23 ILE A 2 0.752 -2.959 -2.852 1.00 44.11 H new ATOM 0 HD11 ILE A 2 0.648 -2.078 -7.009 1.00 54.44 H new ATOM 0 HD12 ILE A 2 1.345 -3.708 -6.853 1.00 54.44 H new ATOM 0 HD13 ILE A 2 -0.001 -3.211 -5.799 1.00 54.44 H new ATOM 30 N SER A 3 5.118 -3.912 -4.764 1.00 54.04 N ATOM 31 CA SER A 3 6.331 -3.981 -5.570 1.00 70.41 C ATOM 32 C SER A 3 6.003 -3.873 -7.056 1.00 61.32 C ATOM 33 O SER A 3 5.451 -4.799 -7.651 1.00 75.11 O ATOM 34 CB SER A 3 7.077 -5.288 -5.295 1.00 24.13 C ATOM 35 OG SER A 3 7.290 -5.471 -3.906 1.00 34.14 O ATOM 0 H SER A 3 4.610 -4.793 -4.691 1.00 54.04 H new ATOM 0 HA SER A 3 6.969 -3.141 -5.295 1.00 70.41 H new ATOM 0 HB2 SER A 3 6.506 -6.127 -5.692 1.00 24.13 H new ATOM 0 HB3 SER A 3 8.035 -5.280 -5.815 1.00 24.13 H new ATOM 0 HG SER A 3 7.767 -6.314 -3.756 1.00 34.14 H new ATOM 41 N CYS A 4 6.348 -2.736 -7.650 1.00 52.24 N ATOM 42 CA CYS A 4 6.091 -2.504 -9.067 1.00 12.24 C ATOM 43 C CYS A 4 6.612 -3.663 -9.911 1.00 33.30 C ATOM 44 O CYS A 4 5.945 -4.117 -10.840 1.00 32.43 O ATOM 45 CB CYS A 4 6.745 -1.196 -9.517 1.00 73.25 C ATOM 46 SG CYS A 4 5.912 -0.396 -10.926 1.00 43.24 S ATOM 0 H CYS A 4 6.807 -1.960 -7.172 1.00 52.24 H new ATOM 0 HA CYS A 4 5.013 -2.431 -9.209 1.00 12.24 H new ATOM 0 HB2 CYS A 4 6.761 -0.502 -8.676 1.00 73.25 H new ATOM 0 HB3 CYS A 4 7.782 -1.395 -9.787 1.00 73.25 H new ATOM 51 N GLY A 5 7.809 -4.138 -9.581 1.00 0.05 N ATOM 52 CA GLY A 5 8.399 -5.240 -10.317 1.00 63.04 C ATOM 53 C GLY A 5 7.505 -6.464 -10.345 1.00 42.23 C ATOM 54 O GLY A 5 7.570 -7.267 -11.275 1.00 63.12 O ATOM 0 H GLY A 5 8.381 -3.779 -8.816 1.00 0.05 H new ATOM 0 HA2 GLY A 5 8.605 -4.921 -11.339 1.00 63.04 H new ATOM 0 HA3 GLY A 5 9.356 -5.503 -9.866 1.00 63.04 H new ATOM 58 N ALA A 6 6.669 -6.607 -9.322 1.00 70.13 N ATOM 59 CA ALA A 6 5.758 -7.742 -9.234 1.00 10.54 C ATOM 60 C ALA A 6 4.466 -7.469 -9.996 1.00 12.20 C ATOM 61 O ALA A 6 3.747 -8.395 -10.371 1.00 32.35 O ATOM 62 CB ALA A 6 5.456 -8.063 -7.777 1.00 61.34 C ATOM 0 H ALA A 6 6.604 -5.952 -8.543 1.00 70.13 H new ATOM 0 HA ALA A 6 6.244 -8.604 -9.692 1.00 10.54 H new ATOM 0 HB1 ALA A 6 4.775 -8.912 -7.725 1.00 61.34 H new ATOM 0 HB2 ALA A 6 6.383 -8.309 -7.259 1.00 61.34 H new ATOM 0 HB3 ALA A 6 4.994 -7.198 -7.302 1.00 61.34 H new ATOM 68 N VAL A 7 4.176 -6.191 -10.222 1.00 72.42 N ATOM 69 CA VAL A 7 2.970 -5.797 -10.941 1.00 10.25 C ATOM 70 C VAL A 7 3.054 -6.187 -12.412 1.00 3.11 C ATOM 71 O VAL A 7 2.152 -6.831 -12.948 1.00 61.13 O ATOM 72 CB VAL A 7 2.726 -4.280 -10.836 1.00 54.31 C ATOM 73 CG1 VAL A 7 1.414 -3.902 -11.508 1.00 65.35 C ATOM 74 CG2 VAL A 7 2.734 -3.838 -9.380 1.00 63.05 C ATOM 0 H VAL A 7 4.759 -5.412 -9.918 1.00 72.42 H new ATOM 0 HA VAL A 7 2.137 -6.325 -10.476 1.00 10.25 H new ATOM 0 HB VAL A 7 3.534 -3.764 -11.354 1.00 54.31 H new ATOM 0 HG11 VAL A 7 1.259 -2.826 -11.424 1.00 65.35 H new ATOM 0 HG12 VAL A 7 1.451 -4.182 -12.561 1.00 65.35 H new ATOM 0 HG13 VAL A 7 0.592 -4.427 -11.021 1.00 65.35 H new ATOM 0 HG21 VAL A 7 2.560 -2.763 -9.325 1.00 63.05 H new ATOM 0 HG22 VAL A 7 1.947 -4.361 -8.837 1.00 63.05 H new ATOM 0 HG23 VAL A 7 3.701 -4.072 -8.934 1.00 63.05 H new ATOM 84 N THR A 8 4.145 -5.793 -13.062 1.00 2.45 N ATOM 85 CA THR A 8 4.348 -6.100 -14.472 1.00 1.04 C ATOM 86 C THR A 8 4.737 -7.561 -14.665 1.00 71.14 C ATOM 87 O THR A 8 4.331 -8.198 -15.637 1.00 53.24 O ATOM 88 CB THR A 8 5.438 -5.204 -15.091 1.00 34.22 C ATOM 89 OG1 THR A 8 6.697 -5.457 -14.459 1.00 23.03 O ATOM 90 CG2 THR A 8 5.077 -3.734 -14.944 1.00 51.40 C ATOM 0 H THR A 8 4.902 -5.260 -12.634 1.00 2.45 H new ATOM 0 HA THR A 8 3.401 -5.909 -14.977 1.00 1.04 H new ATOM 0 HB THR A 8 5.512 -5.439 -16.153 1.00 34.22 H new ATOM 0 HG1 THR A 8 7.385 -4.885 -14.859 1.00 23.03 H new ATOM 0 HG21 THR A 8 5.861 -3.121 -15.388 1.00 51.40 H new ATOM 0 HG22 THR A 8 4.132 -3.539 -15.451 1.00 51.40 H new ATOM 0 HG23 THR A 8 4.979 -3.487 -13.887 1.00 51.40 H new ATOM 98 N SER A 9 5.526 -8.087 -13.734 1.00 34.42 N ATOM 99 CA SER A 9 5.972 -9.474 -13.804 1.00 52.12 C ATOM 100 C SER A 9 4.782 -10.428 -13.805 1.00 34.43 C ATOM 101 O SER A 9 4.751 -11.399 -14.561 1.00 31.41 O ATOM 102 CB SER A 9 6.897 -9.794 -12.628 1.00 74.53 C ATOM 103 OG SER A 9 8.231 -9.410 -12.910 1.00 22.23 O ATOM 0 H SER A 9 5.870 -7.574 -12.922 1.00 34.42 H new ATOM 0 HA SER A 9 6.522 -9.607 -14.736 1.00 52.12 H new ATOM 0 HB2 SER A 9 6.547 -9.276 -11.735 1.00 74.53 H new ATOM 0 HB3 SER A 9 6.860 -10.862 -12.412 1.00 74.53 H new ATOM 0 HG SER A 9 8.438 -8.576 -12.439 1.00 22.23 H new ATOM 109 N ASP A 10 3.804 -10.145 -12.952 1.00 14.43 N ATOM 110 CA ASP A 10 2.610 -10.976 -12.853 1.00 73.12 C ATOM 111 C ASP A 10 1.897 -11.066 -14.199 1.00 43.21 C ATOM 112 O ASP A 10 1.147 -12.009 -14.455 1.00 41.40 O ATOM 113 CB ASP A 10 1.658 -10.416 -11.795 1.00 21.22 C ATOM 114 CG ASP A 10 2.143 -10.680 -10.383 1.00 33.23 C ATOM 115 OD1 ASP A 10 3.041 -11.531 -10.213 1.00 21.22 O ATOM 116 OD2 ASP A 10 1.624 -10.035 -9.448 1.00 23.43 O ATOM 0 H ASP A 10 3.815 -9.346 -12.319 1.00 14.43 H new ATOM 0 HA ASP A 10 2.920 -11.979 -12.558 1.00 73.12 H new ATOM 0 HB2 ASP A 10 1.546 -9.342 -11.943 1.00 21.22 H new ATOM 0 HB3 ASP A 10 0.671 -10.860 -11.926 1.00 21.22 H new ATOM 121 N LEU A 11 2.136 -10.079 -15.056 1.00 12.23 N ATOM 122 CA LEU A 11 1.516 -10.045 -16.376 1.00 23.10 C ATOM 123 C LEU A 11 2.492 -10.521 -17.448 1.00 0.43 C ATOM 124 O LEU A 11 2.299 -10.262 -18.636 1.00 4.24 O ATOM 125 CB LEU A 11 1.036 -8.629 -16.700 1.00 33.44 C ATOM 126 CG LEU A 11 -0.228 -8.167 -15.974 1.00 32.35 C ATOM 127 CD1 LEU A 11 -0.685 -6.817 -16.504 1.00 71.31 C ATOM 128 CD2 LEU A 11 -1.335 -9.202 -16.118 1.00 41.35 C ATOM 0 H LEU A 11 2.755 -9.292 -14.860 1.00 12.23 H new ATOM 0 HA LEU A 11 0.659 -10.719 -16.365 1.00 23.10 H new ATOM 0 HB2 LEU A 11 1.841 -7.932 -16.466 1.00 33.44 H new ATOM 0 HB3 LEU A 11 0.859 -8.563 -17.774 1.00 33.44 H new ATOM 0 HG LEU A 11 0.004 -8.058 -14.915 1.00 32.35 H new ATOM 0 HD11 LEU A 11 -1.586 -6.505 -15.975 1.00 71.31 H new ATOM 0 HD12 LEU A 11 0.102 -6.079 -16.347 1.00 71.31 H new ATOM 0 HD13 LEU A 11 -0.899 -6.898 -17.570 1.00 71.31 H new ATOM 0 HD21 LEU A 11 -2.227 -8.856 -15.595 1.00 41.35 H new ATOM 0 HD22 LEU A 11 -1.566 -9.344 -17.174 1.00 41.35 H new ATOM 0 HD23 LEU A 11 -1.006 -10.148 -15.688 1.00 41.35 H new ATOM 140 N SER A 12 3.539 -11.219 -17.020 1.00 32.03 N ATOM 141 CA SER A 12 4.546 -11.730 -17.942 1.00 51.24 C ATOM 142 C SER A 12 3.903 -12.586 -19.029 1.00 33.21 C ATOM 143 O SER A 12 3.997 -12.295 -20.221 1.00 72.25 O ATOM 144 CB SER A 12 5.593 -12.548 -17.185 1.00 64.32 C ATOM 145 OG SER A 12 6.001 -13.677 -17.939 1.00 0.01 O ATOM 0 H SER A 12 3.712 -11.444 -16.040 1.00 32.03 H new ATOM 0 HA SER A 12 5.034 -10.879 -18.416 1.00 51.24 H new ATOM 0 HB2 SER A 12 6.458 -11.922 -16.964 1.00 64.32 H new ATOM 0 HB3 SER A 12 5.183 -12.874 -16.229 1.00 64.32 H new ATOM 0 HG SER A 12 6.672 -14.183 -17.434 1.00 0.01 H new ATOM 151 N PRO A 13 3.233 -13.669 -18.608 1.00 74.21 N ATOM 152 CA PRO A 13 2.560 -14.591 -19.528 1.00 53.23 C ATOM 153 C PRO A 13 1.333 -13.964 -20.182 1.00 34.52 C ATOM 154 O PRO A 13 0.798 -14.493 -21.157 1.00 43.34 O ATOM 155 CB PRO A 13 2.148 -15.756 -18.625 1.00 64.43 C ATOM 156 CG PRO A 13 2.039 -15.161 -17.264 1.00 51.22 C ATOM 157 CD PRO A 13 3.080 -14.077 -17.201 1.00 74.14 C ATOM 0 HA PRO A 13 3.205 -14.884 -20.356 1.00 53.23 H new ATOM 0 HB2 PRO A 13 1.200 -16.189 -18.945 1.00 64.43 H new ATOM 0 HB3 PRO A 13 2.888 -16.556 -18.649 1.00 64.43 H new ATOM 0 HG2 PRO A 13 1.042 -14.755 -17.094 1.00 51.22 H new ATOM 0 HG3 PRO A 13 2.212 -15.913 -16.494 1.00 51.22 H new ATOM 0 HD2 PRO A 13 2.757 -13.246 -16.574 1.00 74.14 H new ATOM 0 HD3 PRO A 13 4.018 -14.444 -16.785 1.00 74.14 H new ATOM 165 N CYS A 14 0.890 -12.835 -19.639 1.00 21.44 N ATOM 166 CA CYS A 14 -0.274 -12.136 -20.168 1.00 73.33 C ATOM 167 C CYS A 14 0.132 -11.157 -21.266 1.00 71.43 C ATOM 168 O CYS A 14 -0.654 -10.854 -22.165 1.00 61.52 O ATOM 169 CB CYS A 14 -1.001 -11.390 -19.048 1.00 4.24 C ATOM 170 SG CYS A 14 -1.616 -12.467 -17.714 1.00 20.22 S ATOM 0 H CYS A 14 1.321 -12.384 -18.832 1.00 21.44 H new ATOM 0 HA CYS A 14 -0.947 -12.878 -20.597 1.00 73.33 H new ATOM 0 HB2 CYS A 14 -0.325 -10.650 -18.620 1.00 4.24 H new ATOM 0 HB3 CYS A 14 -1.842 -10.844 -19.476 1.00 4.24 H new ATOM 175 N LEU A 15 1.364 -10.666 -21.187 1.00 73.41 N ATOM 176 CA LEU A 15 1.876 -9.722 -22.174 1.00 13.21 C ATOM 177 C LEU A 15 1.525 -10.170 -23.589 1.00 44.43 C ATOM 178 O LEU A 15 1.148 -9.357 -24.434 1.00 74.12 O ATOM 179 CB LEU A 15 3.392 -9.578 -22.033 1.00 20.23 C ATOM 180 CG LEU A 15 3.997 -8.284 -22.577 1.00 2.45 C ATOM 181 CD1 LEU A 15 3.334 -7.074 -21.936 1.00 73.15 C ATOM 182 CD2 LEU A 15 5.500 -8.257 -22.340 1.00 43.01 C ATOM 0 H LEU A 15 2.027 -10.906 -20.450 1.00 73.41 H new ATOM 0 HA LEU A 15 1.408 -8.755 -21.993 1.00 13.21 H new ATOM 0 HB2 LEU A 15 3.648 -9.659 -20.977 1.00 20.23 H new ATOM 0 HB3 LEU A 15 3.865 -10.418 -22.541 1.00 20.23 H new ATOM 0 HG LEU A 15 3.817 -8.245 -23.651 1.00 2.45 H new ATOM 0 HD11 LEU A 15 3.778 -6.162 -22.335 1.00 73.15 H new ATOM 0 HD12 LEU A 15 2.266 -7.085 -22.156 1.00 73.15 H new ATOM 0 HD13 LEU A 15 3.482 -7.107 -20.857 1.00 73.15 H new ATOM 0 HD21 LEU A 15 5.914 -7.329 -22.734 1.00 43.01 H new ATOM 0 HD22 LEU A 15 5.701 -8.319 -21.270 1.00 43.01 H new ATOM 0 HD23 LEU A 15 5.963 -9.104 -22.846 1.00 43.01 H new ATOM 194 N THR A 16 1.651 -11.469 -23.842 1.00 4.22 N ATOM 195 CA THR A 16 1.347 -12.025 -25.154 1.00 24.41 C ATOM 196 C THR A 16 -0.074 -11.678 -25.583 1.00 5.02 C ATOM 197 O THR A 16 -0.279 -10.946 -26.552 1.00 24.52 O ATOM 198 CB THR A 16 1.516 -13.556 -25.167 1.00 73.54 C ATOM 199 OG1 THR A 16 2.876 -13.902 -24.882 1.00 34.41 O ATOM 200 CG2 THR A 16 1.113 -14.133 -26.516 1.00 71.32 C ATOM 0 H THR A 16 1.962 -12.156 -23.155 1.00 4.22 H new ATOM 0 HA THR A 16 2.053 -11.582 -25.856 1.00 24.41 H new ATOM 0 HB THR A 16 0.866 -13.977 -24.400 1.00 73.54 H new ATOM 0 HG1 THR A 16 2.974 -14.877 -24.891 1.00 34.41 H new ATOM 0 HG21 THR A 16 1.241 -15.215 -26.502 1.00 71.32 H new ATOM 0 HG22 THR A 16 0.069 -13.893 -26.717 1.00 71.32 H new ATOM 0 HG23 THR A 16 1.740 -13.704 -27.297 1.00 71.32 H new ATOM 208 N TYR A 17 -1.052 -12.206 -24.856 1.00 24.04 N ATOM 209 CA TYR A 17 -2.454 -11.953 -25.162 1.00 54.33 C ATOM 210 C TYR A 17 -2.768 -10.462 -25.087 1.00 1.41 C ATOM 211 O TYR A 17 -3.629 -9.958 -25.810 1.00 62.41 O ATOM 212 CB TYR A 17 -3.357 -12.724 -24.198 1.00 25.43 C ATOM 213 CG TYR A 17 -4.812 -12.321 -24.276 1.00 4.15 C ATOM 214 CD1 TYR A 17 -5.413 -11.616 -23.240 1.00 53.55 C ATOM 215 CD2 TYR A 17 -5.585 -12.646 -25.383 1.00 41.41 C ATOM 216 CE1 TYR A 17 -6.743 -11.245 -23.307 1.00 23.23 C ATOM 217 CE2 TYR A 17 -6.914 -12.278 -25.459 1.00 34.14 C ATOM 218 CZ TYR A 17 -7.489 -11.578 -24.418 1.00 22.41 C ATOM 219 OH TYR A 17 -8.813 -11.212 -24.489 1.00 12.23 O ATOM 0 H TYR A 17 -0.899 -12.812 -24.050 1.00 24.04 H new ATOM 0 HA TYR A 17 -2.644 -12.296 -26.179 1.00 54.33 H new ATOM 0 HB2 TYR A 17 -3.272 -13.790 -24.409 1.00 25.43 H new ATOM 0 HB3 TYR A 17 -3.001 -12.571 -23.179 1.00 25.43 H new ATOM 0 HD1 TYR A 17 -4.832 -11.354 -22.368 1.00 53.55 H new ATOM 0 HD2 TYR A 17 -5.139 -13.196 -26.199 1.00 41.41 H new ATOM 0 HE1 TYR A 17 -7.195 -10.697 -22.494 1.00 23.23 H new ATOM 0 HE2 TYR A 17 -7.500 -12.537 -26.328 1.00 34.14 H new ATOM 0 HH TYR A 17 -9.193 -11.523 -25.337 1.00 12.23 H new ATOM 229 N LEU A 18 -2.063 -9.760 -24.207 1.00 1.53 N ATOM 230 CA LEU A 18 -2.264 -8.325 -24.035 1.00 42.24 C ATOM 231 C LEU A 18 -1.695 -7.550 -25.220 1.00 31.11 C ATOM 232 O LEU A 18 -2.128 -6.435 -25.512 1.00 41.24 O ATOM 233 CB LEU A 18 -1.608 -7.849 -22.738 1.00 64.20 C ATOM 234 CG LEU A 18 -2.272 -8.312 -21.441 1.00 12.00 C ATOM 235 CD1 LEU A 18 -1.560 -7.719 -20.235 1.00 64.42 C ATOM 236 CD2 LEU A 18 -3.746 -7.932 -21.432 1.00 22.22 C ATOM 0 H LEU A 18 -1.347 -10.161 -23.601 1.00 1.53 H new ATOM 0 HA LEU A 18 -3.336 -8.137 -23.982 1.00 42.24 H new ATOM 0 HB2 LEU A 18 -0.572 -8.187 -22.733 1.00 64.20 H new ATOM 0 HB3 LEU A 18 -1.588 -6.759 -22.743 1.00 64.20 H new ATOM 0 HG LEU A 18 -2.196 -9.398 -21.384 1.00 12.00 H new ATOM 0 HD11 LEU A 18 -2.047 -8.060 -19.321 1.00 64.42 H new ATOM 0 HD12 LEU A 18 -0.519 -8.041 -20.233 1.00 64.42 H new ATOM 0 HD13 LEU A 18 -1.604 -6.631 -20.285 1.00 64.42 H new ATOM 0 HD21 LEU A 18 -4.203 -8.269 -20.502 1.00 22.22 H new ATOM 0 HD22 LEU A 18 -3.843 -6.849 -21.512 1.00 22.22 H new ATOM 0 HD23 LEU A 18 -4.249 -8.405 -22.275 1.00 22.22 H new ATOM 248 N THR A 19 -0.723 -8.149 -25.901 1.00 32.41 N ATOM 249 CA THR A 19 -0.096 -7.517 -27.054 1.00 42.13 C ATOM 250 C THR A 19 -0.753 -7.968 -28.354 1.00 11.43 C ATOM 251 O THR A 19 -0.131 -7.947 -29.415 1.00 54.31 O ATOM 252 CB THR A 19 1.411 -7.833 -27.118 1.00 14.52 C ATOM 253 OG1 THR A 19 1.617 -9.248 -27.060 1.00 23.22 O ATOM 254 CG2 THR A 19 2.153 -7.159 -25.974 1.00 23.13 C ATOM 0 H THR A 19 -0.353 -9.072 -25.673 1.00 32.41 H new ATOM 0 HA THR A 19 -0.230 -6.442 -26.936 1.00 42.13 H new ATOM 0 HB THR A 19 1.802 -7.448 -28.060 1.00 14.52 H new ATOM 0 HG1 THR A 19 0.774 -9.709 -27.254 1.00 23.22 H new ATOM 0 HG21 THR A 19 3.215 -7.396 -26.039 1.00 23.13 H new ATOM 0 HG22 THR A 19 2.018 -6.079 -26.038 1.00 23.13 H new ATOM 0 HG23 THR A 19 1.759 -7.518 -25.023 1.00 23.13 H new ATOM 262 N GLY A 20 -2.016 -8.375 -28.263 1.00 4.31 N ATOM 263 CA GLY A 20 -2.737 -8.824 -29.440 1.00 25.35 C ATOM 264 C GLY A 20 -2.602 -10.317 -29.666 1.00 74.04 C ATOM 265 O GLY A 20 -3.249 -10.878 -30.550 1.00 21.32 O ATOM 0 H GLY A 20 -2.552 -8.402 -27.396 1.00 4.31 H new ATOM 0 HA2 GLY A 20 -3.792 -8.569 -29.336 1.00 25.35 H new ATOM 0 HA3 GLY A 20 -2.365 -8.292 -30.316 1.00 25.35 H new ATOM 269 N GLY A 21 -1.758 -10.962 -28.867 1.00 33.31 N ATOM 270 CA GLY A 21 -1.555 -12.393 -29.002 1.00 53.12 C ATOM 271 C GLY A 21 -2.768 -13.194 -28.571 1.00 41.13 C ATOM 272 O GLY A 21 -3.770 -12.645 -28.113 1.00 31.23 O ATOM 0 H GLY A 21 -1.211 -10.519 -28.129 1.00 33.31 H new ATOM 0 HA2 GLY A 21 -1.319 -12.627 -30.040 1.00 53.12 H new ATOM 0 HA3 GLY A 21 -0.694 -12.693 -28.404 1.00 53.12 H new ATOM 276 N PRO A 22 -2.686 -14.524 -28.719 1.00 71.55 N ATOM 277 CA PRO A 22 -3.777 -15.431 -28.349 1.00 52.30 C ATOM 278 C PRO A 22 -3.975 -15.513 -26.839 1.00 55.43 C ATOM 279 O PRO A 22 -3.026 -15.372 -26.070 1.00 43.42 O ATOM 280 CB PRO A 22 -3.319 -16.782 -28.902 1.00 61.42 C ATOM 281 CG PRO A 22 -1.833 -16.686 -28.955 1.00 32.11 C ATOM 282 CD PRO A 22 -1.522 -15.247 -29.259 1.00 51.25 C ATOM 0 HA PRO A 22 -4.736 -15.097 -28.744 1.00 52.30 H new ATOM 0 HB2 PRO A 22 -3.640 -17.602 -28.260 1.00 61.42 H new ATOM 0 HB3 PRO A 22 -3.739 -16.968 -29.890 1.00 61.42 H new ATOM 0 HG2 PRO A 22 -1.388 -16.990 -28.007 1.00 32.11 H new ATOM 0 HG3 PRO A 22 -1.427 -17.344 -29.723 1.00 32.11 H new ATOM 0 HD2 PRO A 22 -0.595 -14.927 -28.784 1.00 51.25 H new ATOM 0 HD3 PRO A 22 -1.406 -15.079 -30.330 1.00 51.25 H new ATOM 290 N GLY A 23 -5.217 -15.742 -26.421 1.00 62.15 N ATOM 291 CA GLY A 23 -5.517 -15.839 -25.005 1.00 24.11 C ATOM 292 C GLY A 23 -6.915 -15.357 -24.674 1.00 10.11 C ATOM 293 O GLY A 23 -7.782 -15.256 -25.542 1.00 42.04 O ATOM 0 H GLY A 23 -6.020 -15.862 -27.038 1.00 62.15 H new ATOM 0 HA2 GLY A 23 -5.408 -16.875 -24.684 1.00 24.11 H new ATOM 0 HA3 GLY A 23 -4.791 -15.252 -24.442 1.00 24.11 H new ATOM 297 N PRO A 24 -7.151 -15.051 -23.389 1.00 52.15 N ATOM 298 CA PRO A 24 -6.127 -15.168 -22.347 1.00 14.32 C ATOM 299 C PRO A 24 -5.777 -16.619 -22.038 1.00 60.45 C ATOM 300 O PRO A 24 -6.653 -17.427 -21.728 1.00 3.21 O ATOM 301 CB PRO A 24 -6.782 -14.506 -21.132 1.00 2.15 C ATOM 302 CG PRO A 24 -8.246 -14.646 -21.366 1.00 72.25 C ATOM 303 CD PRO A 24 -8.436 -14.568 -22.856 1.00 41.11 C ATOM 0 HA PRO A 24 -5.186 -14.707 -22.646 1.00 14.32 H new ATOM 0 HB2 PRO A 24 -6.481 -14.994 -20.205 1.00 2.15 H new ATOM 0 HB3 PRO A 24 -6.493 -13.458 -21.049 1.00 2.15 H new ATOM 0 HG2 PRO A 24 -8.615 -15.594 -20.975 1.00 72.25 H new ATOM 0 HG3 PRO A 24 -8.800 -13.855 -20.860 1.00 72.25 H new ATOM 0 HD2 PRO A 24 -9.268 -15.189 -23.188 1.00 41.11 H new ATOM 0 HD3 PRO A 24 -8.649 -13.550 -23.181 1.00 41.11 H new ATOM 311 N SER A 25 -4.491 -16.944 -22.126 1.00 31.42 N ATOM 312 CA SER A 25 -4.026 -18.300 -21.859 1.00 65.32 C ATOM 313 C SER A 25 -4.283 -18.687 -20.406 1.00 74.41 C ATOM 314 O SER A 25 -4.546 -17.843 -19.549 1.00 75.24 O ATOM 315 CB SER A 25 -2.533 -18.421 -22.174 1.00 12.12 C ATOM 316 OG SER A 25 -1.874 -17.178 -22.002 1.00 61.25 O ATOM 0 H SER A 25 -3.753 -16.287 -22.380 1.00 31.42 H new ATOM 0 HA SER A 25 -4.583 -18.981 -22.502 1.00 65.32 H new ATOM 0 HB2 SER A 25 -2.080 -19.169 -21.524 1.00 12.12 H new ATOM 0 HB3 SER A 25 -2.401 -18.768 -23.199 1.00 12.12 H new ATOM 0 HG SER A 25 -0.921 -17.282 -22.207 1.00 61.25 H new ATOM 322 N PRO A 26 -4.207 -19.996 -20.121 1.00 4.33 N ATOM 323 CA PRO A 26 -4.428 -20.526 -18.772 1.00 62.01 C ATOM 324 C PRO A 26 -3.306 -20.150 -17.810 1.00 61.32 C ATOM 325 O PRO A 26 -3.529 -20.006 -16.609 1.00 14.23 O ATOM 326 CB PRO A 26 -4.462 -22.041 -18.988 1.00 32.01 C ATOM 327 CG PRO A 26 -3.666 -22.265 -20.227 1.00 25.44 C ATOM 328 CD PRO A 26 -3.897 -21.058 -21.092 1.00 74.04 C ATOM 0 HA PRO A 26 -5.335 -20.125 -18.320 1.00 62.01 H new ATOM 0 HB2 PRO A 26 -4.031 -22.572 -18.139 1.00 32.01 H new ATOM 0 HB3 PRO A 26 -5.484 -22.402 -19.104 1.00 32.01 H new ATOM 0 HG2 PRO A 26 -2.607 -22.382 -19.995 1.00 25.44 H new ATOM 0 HG3 PRO A 26 -3.983 -23.176 -20.735 1.00 25.44 H new ATOM 0 HD2 PRO A 26 -3.016 -20.815 -21.686 1.00 74.04 H new ATOM 0 HD3 PRO A 26 -4.719 -21.216 -21.791 1.00 74.04 H new ATOM 336 N GLN A 27 -2.100 -19.993 -18.347 1.00 72.20 N ATOM 337 CA GLN A 27 -0.944 -19.634 -17.535 1.00 23.33 C ATOM 338 C GLN A 27 -0.972 -18.153 -17.171 1.00 73.43 C ATOM 339 O GLN A 27 -0.452 -17.748 -16.131 1.00 73.41 O ATOM 340 CB GLN A 27 0.351 -19.964 -18.279 1.00 62.03 C ATOM 341 CG GLN A 27 0.449 -21.417 -18.715 1.00 62.01 C ATOM 342 CD GLN A 27 1.701 -21.701 -19.522 1.00 73.12 C ATOM 343 OE1 GLN A 27 2.658 -22.289 -19.018 1.00 70.44 O ATOM 344 NE2 GLN A 27 1.700 -21.284 -20.783 1.00 0.33 N ATOM 0 H GLN A 27 -1.899 -20.109 -19.340 1.00 72.20 H new ATOM 0 HA GLN A 27 -0.984 -20.216 -16.614 1.00 23.33 H new ATOM 0 HB2 GLN A 27 0.429 -19.324 -19.158 1.00 62.03 H new ATOM 0 HB3 GLN A 27 1.199 -19.728 -17.637 1.00 62.03 H new ATOM 0 HG2 GLN A 27 0.436 -22.058 -17.834 1.00 62.01 H new ATOM 0 HG3 GLN A 27 -0.428 -21.674 -19.309 1.00 62.01 H new ATOM 0 HE21 GLN A 27 0.885 -20.800 -21.160 1.00 0.33 H new ATOM 0 HE22 GLN A 27 2.515 -21.447 -21.375 1.00 0.33 H new ATOM 353 N CYS A 28 -1.583 -17.349 -18.035 1.00 44.11 N ATOM 354 CA CYS A 28 -1.679 -15.912 -17.806 1.00 63.34 C ATOM 355 C CYS A 28 -2.682 -15.604 -16.699 1.00 0.31 C ATOM 356 O CYS A 28 -2.380 -14.867 -15.760 1.00 1.41 O ATOM 357 CB CYS A 28 -2.088 -15.196 -19.095 1.00 13.02 C ATOM 358 SG CYS A 28 -2.972 -13.626 -18.824 1.00 5.10 S ATOM 0 H CYS A 28 -2.019 -17.668 -18.900 1.00 44.11 H new ATOM 0 HA CYS A 28 -0.699 -15.552 -17.494 1.00 63.34 H new ATOM 0 HB2 CYS A 28 -1.195 -15.000 -19.688 1.00 13.02 H new ATOM 0 HB3 CYS A 28 -2.721 -15.861 -19.682 1.00 13.02 H new ATOM 363 N CYS A 29 -3.877 -16.173 -16.815 1.00 70.03 N ATOM 364 CA CYS A 29 -4.926 -15.960 -15.826 1.00 1.15 C ATOM 365 C CYS A 29 -4.403 -16.217 -14.415 1.00 72.21 C ATOM 366 O CYS A 29 -4.816 -15.562 -13.459 1.00 53.14 O ATOM 367 CB CYS A 29 -6.120 -16.872 -16.113 1.00 13.21 C ATOM 368 SG CYS A 29 -7.192 -16.289 -17.465 1.00 54.24 S ATOM 0 H CYS A 29 -4.143 -16.786 -17.586 1.00 70.03 H new ATOM 0 HA CYS A 29 -5.248 -14.921 -15.892 1.00 1.15 H new ATOM 0 HB2 CYS A 29 -5.752 -17.868 -16.359 1.00 13.21 H new ATOM 0 HB3 CYS A 29 -6.717 -16.968 -15.206 1.00 13.21 H new ATOM 373 N GLY A 30 -3.491 -17.177 -14.294 1.00 20.02 N ATOM 374 CA GLY A 30 -2.926 -17.504 -12.998 1.00 35.34 C ATOM 375 C GLY A 30 -2.323 -16.298 -12.306 1.00 54.44 C ATOM 376 O GLY A 30 -2.504 -16.107 -11.105 1.00 32.05 O ATOM 0 H GLY A 30 -3.134 -17.734 -15.070 1.00 20.02 H new ATOM 0 HA2 GLY A 30 -3.703 -17.932 -12.364 1.00 35.34 H new ATOM 0 HA3 GLY A 30 -2.159 -18.269 -13.122 1.00 35.34 H new ATOM 380 N GLY A 31 -1.602 -15.480 -13.068 1.00 33.12 N ATOM 381 CA GLY A 31 -0.980 -14.297 -12.503 1.00 42.15 C ATOM 382 C GLY A 31 -1.976 -13.183 -12.250 1.00 42.42 C ATOM 383 O GLY A 31 -1.925 -12.517 -11.216 1.00 25.44 O ATOM 0 H GLY A 31 -1.438 -15.616 -14.066 1.00 33.12 H new ATOM 0 HA2 GLY A 31 -0.489 -14.561 -11.566 1.00 42.15 H new ATOM 0 HA3 GLY A 31 -0.204 -13.940 -13.180 1.00 42.15 H new ATOM 387 N VAL A 32 -2.885 -12.977 -13.198 1.00 44.52 N ATOM 388 CA VAL A 32 -3.897 -11.934 -13.073 1.00 63.54 C ATOM 389 C VAL A 32 -4.619 -12.027 -11.734 1.00 22.31 C ATOM 390 O VAL A 32 -4.830 -11.020 -11.059 1.00 14.24 O ATOM 391 CB VAL A 32 -4.933 -12.020 -14.210 1.00 0.53 C ATOM 392 CG1 VAL A 32 -5.986 -10.932 -14.055 1.00 65.32 C ATOM 393 CG2 VAL A 32 -4.247 -11.921 -15.564 1.00 13.40 C ATOM 0 H VAL A 32 -2.941 -13.518 -14.061 1.00 44.52 H new ATOM 0 HA VAL A 32 -3.377 -10.978 -13.136 1.00 63.54 H new ATOM 0 HB VAL A 32 -5.432 -12.987 -14.152 1.00 0.53 H new ATOM 0 HG11 VAL A 32 -6.710 -11.008 -14.867 1.00 65.32 H new ATOM 0 HG12 VAL A 32 -6.498 -11.054 -13.100 1.00 65.32 H new ATOM 0 HG13 VAL A 32 -5.506 -9.954 -14.087 1.00 65.32 H new ATOM 0 HG21 VAL A 32 -4.994 -11.984 -16.356 1.00 13.40 H new ATOM 0 HG22 VAL A 32 -3.720 -10.969 -15.636 1.00 13.40 H new ATOM 0 HG23 VAL A 32 -3.535 -12.739 -15.672 1.00 13.40 H new ATOM 403 N LYS A 33 -4.995 -13.244 -11.354 1.00 10.41 N ATOM 404 CA LYS A 33 -5.692 -13.471 -10.094 1.00 14.43 C ATOM 405 C LYS A 33 -4.796 -13.132 -8.907 1.00 63.11 C ATOM 406 O LYS A 33 -5.231 -12.494 -7.949 1.00 12.15 O ATOM 407 CB LYS A 33 -6.155 -14.926 -9.998 1.00 70.21 C ATOM 408 CG LYS A 33 -7.109 -15.335 -11.107 1.00 63.41 C ATOM 409 CD LYS A 33 -6.927 -16.795 -11.489 1.00 10.05 C ATOM 410 CE LYS A 33 -8.022 -17.264 -12.435 1.00 23.35 C ATOM 411 NZ LYS A 33 -8.939 -18.239 -11.781 1.00 50.34 N ATOM 0 H LYS A 33 -4.828 -14.088 -11.901 1.00 10.41 H new ATOM 0 HA LYS A 33 -6.563 -12.817 -10.067 1.00 14.43 H new ATOM 0 HB2 LYS A 33 -5.282 -15.579 -10.022 1.00 70.21 H new ATOM 0 HB3 LYS A 33 -6.642 -15.081 -9.035 1.00 70.21 H new ATOM 0 HG2 LYS A 33 -8.137 -15.168 -10.784 1.00 63.41 H new ATOM 0 HG3 LYS A 33 -6.943 -14.706 -11.981 1.00 63.41 H new ATOM 0 HD2 LYS A 33 -5.954 -16.930 -11.961 1.00 10.05 H new ATOM 0 HD3 LYS A 33 -6.933 -17.411 -10.590 1.00 10.05 H new ATOM 0 HE2 LYS A 33 -8.594 -16.404 -12.783 1.00 23.35 H new ATOM 0 HE3 LYS A 33 -7.570 -17.723 -13.314 1.00 23.35 H new ATOM 0 HZ1 LYS A 33 -9.671 -18.535 -12.458 1.00 50.34 H new ATOM 0 HZ2 LYS A 33 -8.397 -19.071 -11.471 1.00 50.34 H new ATOM 0 HZ3 LYS A 33 -9.390 -17.793 -10.957 1.00 50.34 H new ATOM 425 N LYS A 34 -3.541 -13.562 -8.978 1.00 64.41 N ATOM 426 CA LYS A 34 -2.581 -13.303 -7.912 1.00 2.04 C ATOM 427 C LYS A 34 -2.326 -11.807 -7.761 1.00 14.44 C ATOM 428 O LYS A 34 -2.187 -11.299 -6.647 1.00 32.43 O ATOM 429 CB LYS A 34 -1.264 -14.029 -8.195 1.00 43.10 C ATOM 430 CG LYS A 34 -0.164 -13.704 -7.199 1.00 62.50 C ATOM 431 CD LYS A 34 0.810 -14.861 -7.047 1.00 51.02 C ATOM 432 CE LYS A 34 1.873 -14.561 -6.002 1.00 31.05 C ATOM 433 NZ LYS A 34 2.678 -15.768 -5.667 1.00 30.32 N ATOM 0 H LYS A 34 -3.165 -14.092 -9.764 1.00 64.41 H new ATOM 0 HA LYS A 34 -3.002 -13.678 -6.979 1.00 2.04 H new ATOM 0 HB2 LYS A 34 -1.443 -15.104 -8.188 1.00 43.10 H new ATOM 0 HB3 LYS A 34 -0.924 -13.769 -9.197 1.00 43.10 H new ATOM 0 HG2 LYS A 34 0.374 -12.815 -7.527 1.00 62.50 H new ATOM 0 HG3 LYS A 34 -0.606 -13.470 -6.231 1.00 62.50 H new ATOM 0 HD2 LYS A 34 0.265 -15.762 -6.765 1.00 51.02 H new ATOM 0 HD3 LYS A 34 1.288 -15.064 -8.005 1.00 51.02 H new ATOM 0 HE2 LYS A 34 2.533 -13.775 -6.370 1.00 31.05 H new ATOM 0 HE3 LYS A 34 1.397 -14.180 -5.099 1.00 31.05 H new ATOM 0 HZ1 LYS A 34 3.391 -15.522 -4.951 1.00 30.32 H new ATOM 0 HZ2 LYS A 34 2.053 -16.509 -5.292 1.00 30.32 H new ATOM 0 HZ3 LYS A 34 3.153 -16.117 -6.524 1.00 30.32 H new ATOM 447 N LEU A 35 -2.268 -11.105 -8.887 1.00 13.52 N ATOM 448 CA LEU A 35 -2.032 -9.665 -8.880 1.00 13.13 C ATOM 449 C LEU A 35 -3.202 -8.924 -8.240 1.00 33.51 C ATOM 450 O LEU A 35 -3.019 -8.134 -7.313 1.00 22.41 O ATOM 451 CB LEU A 35 -1.811 -9.157 -10.306 1.00 32.43 C ATOM 452 CG LEU A 35 -1.946 -7.648 -10.509 1.00 75.05 C ATOM 453 CD1 LEU A 35 -1.049 -6.896 -9.539 1.00 12.21 C ATOM 454 CD2 LEU A 35 -1.615 -7.272 -11.946 1.00 42.02 C ATOM 0 H LEU A 35 -2.381 -11.509 -9.817 1.00 13.52 H new ATOM 0 HA LEU A 35 -1.137 -9.472 -8.289 1.00 13.13 H new ATOM 0 HB2 LEU A 35 -0.814 -9.459 -10.627 1.00 32.43 H new ATOM 0 HB3 LEU A 35 -2.523 -9.657 -10.963 1.00 32.43 H new ATOM 0 HG LEU A 35 -2.979 -7.365 -10.309 1.00 75.05 H new ATOM 0 HD11 LEU A 35 -1.159 -5.823 -9.699 1.00 12.21 H new ATOM 0 HD12 LEU A 35 -1.333 -7.141 -8.516 1.00 12.21 H new ATOM 0 HD13 LEU A 35 -0.011 -7.183 -9.706 1.00 12.21 H new ATOM 0 HD21 LEU A 35 -1.716 -6.194 -12.073 1.00 42.02 H new ATOM 0 HD22 LEU A 35 -0.591 -7.569 -12.173 1.00 42.02 H new ATOM 0 HD23 LEU A 35 -2.300 -7.783 -12.623 1.00 42.02 H new ATOM 466 N LEU A 36 -4.405 -9.186 -8.739 1.00 33.41 N ATOM 467 CA LEU A 36 -5.607 -8.547 -8.215 1.00 1.34 C ATOM 468 C LEU A 36 -5.864 -8.970 -6.772 1.00 30.10 C ATOM 469 O LEU A 36 -6.343 -8.180 -5.959 1.00 31.31 O ATOM 470 CB LEU A 36 -6.816 -8.897 -9.084 1.00 43.01 C ATOM 471 CG LEU A 36 -6.837 -8.281 -10.484 1.00 30.05 C ATOM 472 CD1 LEU A 36 -7.922 -8.924 -11.333 1.00 70.03 C ATOM 473 CD2 LEU A 36 -7.044 -6.776 -10.401 1.00 0.35 C ATOM 0 H LEU A 36 -4.574 -9.837 -9.506 1.00 33.41 H new ATOM 0 HA LEU A 36 -5.453 -7.468 -8.236 1.00 1.34 H new ATOM 0 HB2 LEU A 36 -6.864 -9.981 -9.185 1.00 43.01 H new ATOM 0 HB3 LEU A 36 -7.719 -8.586 -8.558 1.00 43.01 H new ATOM 0 HG LEU A 36 -5.874 -8.469 -10.958 1.00 30.05 H new ATOM 0 HD11 LEU A 36 -7.922 -8.473 -12.325 1.00 70.03 H new ATOM 0 HD12 LEU A 36 -7.730 -9.993 -11.420 1.00 70.03 H new ATOM 0 HD13 LEU A 36 -8.893 -8.767 -10.863 1.00 70.03 H new ATOM 0 HD21 LEU A 36 -7.056 -6.354 -11.406 1.00 0.35 H new ATOM 0 HD22 LEU A 36 -7.993 -6.566 -9.908 1.00 0.35 H new ATOM 0 HD23 LEU A 36 -6.231 -6.328 -9.830 1.00 0.35 H new ATOM 485 N ALA A 37 -5.540 -10.221 -6.461 1.00 73.03 N ATOM 486 CA ALA A 37 -5.732 -10.748 -5.116 1.00 31.11 C ATOM 487 C ALA A 37 -4.841 -10.025 -4.111 1.00 73.50 C ATOM 488 O ALA A 37 -5.141 -9.986 -2.918 1.00 64.00 O ATOM 489 CB ALA A 37 -5.454 -12.244 -5.090 1.00 54.24 C ATOM 0 H ALA A 37 -5.143 -10.888 -7.123 1.00 73.03 H new ATOM 0 HA ALA A 37 -6.770 -10.578 -4.831 1.00 31.11 H new ATOM 0 HB1 ALA A 37 -5.601 -12.624 -4.079 1.00 54.24 H new ATOM 0 HB2 ALA A 37 -6.136 -12.753 -5.772 1.00 54.24 H new ATOM 0 HB3 ALA A 37 -4.426 -12.428 -5.401 1.00 54.24 H new ATOM 495 N ALA A 38 -3.745 -9.456 -4.601 1.00 54.34 N ATOM 496 CA ALA A 38 -2.812 -8.733 -3.746 1.00 61.51 C ATOM 497 C ALA A 38 -3.272 -7.297 -3.521 1.00 32.22 C ATOM 498 O ALA A 38 -3.129 -6.754 -2.426 1.00 21.11 O ATOM 499 CB ALA A 38 -1.417 -8.754 -4.353 1.00 4.55 C ATOM 0 H ALA A 38 -3.481 -9.482 -5.586 1.00 54.34 H new ATOM 0 HA ALA A 38 -2.783 -9.232 -2.778 1.00 61.51 H new ATOM 0 HB1 ALA A 38 -0.730 -8.211 -3.705 1.00 4.55 H new ATOM 0 HB2 ALA A 38 -1.080 -9.786 -4.455 1.00 4.55 H new ATOM 0 HB3 ALA A 38 -1.440 -8.281 -5.335 1.00 4.55 H new ATOM 505 N ALA A 39 -3.825 -6.687 -4.564 1.00 70.43 N ATOM 506 CA ALA A 39 -4.307 -5.315 -4.479 1.00 55.43 C ATOM 507 C ALA A 39 -5.628 -5.243 -3.721 1.00 13.23 C ATOM 508 O ALA A 39 -6.684 -5.026 -4.313 1.00 52.35 O ATOM 509 CB ALA A 39 -4.464 -4.723 -5.872 1.00 42.04 C ATOM 0 H ALA A 39 -3.950 -7.122 -5.478 1.00 70.43 H new ATOM 0 HA ALA A 39 -3.569 -4.731 -3.929 1.00 55.43 H new ATOM 0 HB1 ALA A 39 -4.825 -3.698 -5.793 1.00 42.04 H new ATOM 0 HB2 ALA A 39 -3.500 -4.730 -6.381 1.00 42.04 H new ATOM 0 HB3 ALA A 39 -5.180 -5.317 -6.441 1.00 42.04 H new ATOM 515 N ASN A 40 -5.561 -5.427 -2.406 1.00 73.52 N ATOM 516 CA ASN A 40 -6.753 -5.385 -1.567 1.00 10.24 C ATOM 517 C ASN A 40 -6.878 -4.034 -0.868 1.00 32.30 C ATOM 518 O ASN A 40 -7.933 -3.696 -0.329 1.00 24.43 O ATOM 519 CB ASN A 40 -6.711 -6.507 -0.528 1.00 23.24 C ATOM 520 CG ASN A 40 -7.913 -6.485 0.396 1.00 32.52 C ATOM 521 OD1 ASN A 40 -9.053 -6.630 -0.047 1.00 23.24 O ATOM 522 ND2 ASN A 40 -7.664 -6.304 1.688 1.00 44.33 N ATOM 0 H ASN A 40 -4.694 -5.606 -1.899 1.00 73.52 H new ATOM 0 HA ASN A 40 -7.623 -5.525 -2.208 1.00 10.24 H new ATOM 0 HB2 ASN A 40 -6.666 -7.469 -1.038 1.00 23.24 H new ATOM 0 HB3 ASN A 40 -5.800 -6.417 0.063 1.00 23.24 H new ATOM 0 HD21 ASN A 40 -8.433 -6.281 2.357 1.00 44.33 H new ATOM 0 HD22 ASN A 40 -6.703 -6.188 2.011 1.00 44.33 H new ATOM 529 N THR A 41 -5.794 -3.264 -0.882 1.00 35.23 N ATOM 530 CA THR A 41 -5.782 -1.951 -0.250 1.00 21.14 C ATOM 531 C THR A 41 -5.922 -0.841 -1.285 1.00 72.21 C ATOM 532 O THR A 41 -5.794 -1.078 -2.487 1.00 21.33 O ATOM 533 CB THR A 41 -4.487 -1.727 0.554 1.00 13.03 C ATOM 534 OG1 THR A 41 -3.461 -2.609 0.086 1.00 30.13 O ATOM 535 CG2 THR A 41 -4.725 -1.960 2.039 1.00 50.32 C ATOM 0 H THR A 41 -4.913 -3.527 -1.324 1.00 35.23 H new ATOM 0 HA THR A 41 -6.634 -1.920 0.430 1.00 21.14 H new ATOM 0 HB THR A 41 -4.170 -0.694 0.411 1.00 13.03 H new ATOM 0 HG1 THR A 41 -2.709 -2.599 0.715 1.00 30.13 H new ATOM 0 HG21 THR A 41 -3.797 -1.796 2.586 1.00 50.32 H new ATOM 0 HG22 THR A 41 -5.486 -1.267 2.399 1.00 50.32 H new ATOM 0 HG23 THR A 41 -5.063 -2.984 2.197 1.00 50.32 H new ATOM 543 N THR A 42 -6.186 0.373 -0.812 1.00 50.13 N ATOM 544 CA THR A 42 -6.344 1.520 -1.697 1.00 52.14 C ATOM 545 C THR A 42 -5.026 1.880 -2.372 1.00 65.33 C ATOM 546 O THR A 42 -4.934 1.982 -3.596 1.00 32.21 O ATOM 547 CB THR A 42 -6.869 2.751 -0.934 1.00 33.41 C ATOM 548 OG1 THR A 42 -8.284 2.640 -0.741 1.00 1.43 O ATOM 549 CG2 THR A 42 -6.554 4.032 -1.691 1.00 10.14 C ATOM 0 H THR A 42 -6.295 0.587 0.179 1.00 50.13 H new ATOM 0 HA THR A 42 -7.072 1.234 -2.456 1.00 52.14 H new ATOM 0 HB THR A 42 -6.372 2.790 0.035 1.00 33.41 H new ATOM 0 HG1 THR A 42 -8.610 3.425 -0.254 1.00 1.43 H new ATOM 0 HG21 THR A 42 -6.934 4.887 -1.133 1.00 10.14 H new ATOM 0 HG22 THR A 42 -5.475 4.128 -1.811 1.00 10.14 H new ATOM 0 HG23 THR A 42 -7.027 4.000 -2.673 1.00 10.14 H new ATOM 557 N PRO A 43 -3.978 2.076 -1.559 1.00 4.35 N ATOM 558 CA PRO A 43 -2.644 2.426 -2.056 1.00 2.41 C ATOM 559 C PRO A 43 -1.978 1.270 -2.794 1.00 74.02 C ATOM 560 O PRO A 43 -0.934 1.441 -3.423 1.00 3.35 O ATOM 561 CB PRO A 43 -1.867 2.764 -0.781 1.00 12.22 C ATOM 562 CG PRO A 43 -2.562 2.006 0.298 1.00 45.44 C ATOM 563 CD PRO A 43 -4.014 1.971 -0.090 1.00 41.32 C ATOM 0 HA PRO A 43 -2.680 3.241 -2.779 1.00 2.41 H new ATOM 0 HB2 PRO A 43 -0.822 2.466 -0.864 1.00 12.22 H new ATOM 0 HB3 PRO A 43 -1.879 3.836 -0.583 1.00 12.22 H new ATOM 0 HG2 PRO A 43 -2.158 0.998 0.389 1.00 45.44 H new ATOM 0 HG3 PRO A 43 -2.428 2.492 1.265 1.00 45.44 H new ATOM 0 HD2 PRO A 43 -4.495 1.048 0.235 1.00 41.32 H new ATOM 0 HD3 PRO A 43 -4.570 2.795 0.358 1.00 41.32 H new ATOM 571 N ASP A 44 -2.590 0.093 -2.715 1.00 10.43 N ATOM 572 CA ASP A 44 -2.057 -1.092 -3.377 1.00 54.41 C ATOM 573 C ASP A 44 -2.558 -1.181 -4.815 1.00 60.33 C ATOM 574 O ASP A 44 -1.820 -1.581 -5.716 1.00 1.00 O ATOM 575 CB ASP A 44 -2.451 -2.353 -2.607 1.00 55.11 C ATOM 576 CG ASP A 44 -1.413 -2.750 -1.576 1.00 54.10 C ATOM 577 OD1 ASP A 44 -1.245 -3.965 -1.340 1.00 50.13 O ATOM 578 OD2 ASP A 44 -0.769 -1.846 -1.005 1.00 44.44 O ATOM 0 H ASP A 44 -3.455 -0.066 -2.199 1.00 10.43 H new ATOM 0 HA ASP A 44 -0.970 -1.012 -3.394 1.00 54.41 H new ATOM 0 HB2 ASP A 44 -3.407 -2.188 -2.111 1.00 55.11 H new ATOM 0 HB3 ASP A 44 -2.594 -3.174 -3.309 1.00 55.11 H new ATOM 583 N ARG A 45 -3.816 -0.808 -5.023 1.00 35.02 N ATOM 584 CA ARG A 45 -4.416 -0.849 -6.351 1.00 53.30 C ATOM 585 C ARG A 45 -3.918 0.311 -7.208 1.00 52.23 C ATOM 586 O ARG A 45 -3.622 0.139 -8.390 1.00 62.41 O ATOM 587 CB ARG A 45 -5.942 -0.801 -6.247 1.00 22.34 C ATOM 588 CG ARG A 45 -6.511 -1.756 -5.210 1.00 73.12 C ATOM 589 CD ARG A 45 -7.493 -2.735 -5.835 1.00 21.33 C ATOM 590 NE ARG A 45 -8.560 -3.105 -4.909 1.00 75.33 N ATOM 591 CZ ARG A 45 -9.613 -3.838 -5.256 1.00 42.14 C ATOM 592 NH1 ARG A 45 -9.738 -4.277 -6.501 1.00 44.12 N ATOM 593 NH2 ARG A 45 -10.543 -4.133 -4.357 1.00 62.12 N ATOM 0 H ARG A 45 -4.440 -0.474 -4.289 1.00 35.02 H new ATOM 0 HA ARG A 45 -4.120 -1.784 -6.827 1.00 53.30 H new ATOM 0 HB2 ARG A 45 -6.249 0.215 -6.000 1.00 22.34 H new ATOM 0 HB3 ARG A 45 -6.372 -1.037 -7.221 1.00 22.34 H new ATOM 0 HG2 ARG A 45 -5.698 -2.307 -4.736 1.00 73.12 H new ATOM 0 HG3 ARG A 45 -7.011 -1.188 -4.426 1.00 73.12 H new ATOM 0 HD2 ARG A 45 -7.928 -2.291 -6.730 1.00 21.33 H new ATOM 0 HD3 ARG A 45 -6.960 -3.632 -6.151 1.00 21.33 H new ATOM 0 HE ARG A 45 -8.493 -2.783 -3.943 1.00 75.33 H new ATOM 0 HH11 ARG A 45 -9.025 -4.052 -7.195 1.00 44.12 H new ATOM 0 HH12 ARG A 45 -10.547 -4.839 -6.765 1.00 44.12 H new ATOM 0 HH21 ARG A 45 -10.450 -3.797 -3.398 1.00 62.12 H new ATOM 0 HH22 ARG A 45 -11.351 -4.696 -4.625 1.00 62.12 H new ATOM 607 N GLN A 46 -3.830 1.492 -6.604 1.00 23.31 N ATOM 608 CA GLN A 46 -3.369 2.680 -7.313 1.00 22.43 C ATOM 609 C GLN A 46 -2.002 2.440 -7.945 1.00 5.34 C ATOM 610 O GLN A 46 -1.800 2.705 -9.129 1.00 63.44 O ATOM 611 CB GLN A 46 -3.301 3.874 -6.359 1.00 53.04 C ATOM 612 CG GLN A 46 -4.640 4.228 -5.732 1.00 1.01 C ATOM 613 CD GLN A 46 -4.496 5.125 -4.518 1.00 74.11 C ATOM 614 OE1 GLN A 46 -3.470 5.110 -3.839 1.00 5.11 O ATOM 615 NE2 GLN A 46 -5.528 5.913 -4.239 1.00 32.23 N ATOM 0 H GLN A 46 -4.072 1.652 -5.626 1.00 23.31 H new ATOM 0 HA GLN A 46 -4.083 2.899 -8.107 1.00 22.43 H new ATOM 0 HB2 GLN A 46 -2.585 3.655 -5.567 1.00 53.04 H new ATOM 0 HB3 GLN A 46 -2.922 4.741 -6.901 1.00 53.04 H new ATOM 0 HG2 GLN A 46 -5.265 4.725 -6.474 1.00 1.01 H new ATOM 0 HG3 GLN A 46 -5.155 3.312 -5.443 1.00 1.01 H new ATOM 0 HE21 GLN A 46 -6.359 5.893 -4.830 1.00 32.23 H new ATOM 0 HE22 GLN A 46 -5.489 6.538 -3.434 1.00 32.23 H new ATOM 624 N ALA A 47 -1.066 1.939 -7.145 1.00 65.25 N ATOM 625 CA ALA A 47 0.282 1.662 -7.627 1.00 42.41 C ATOM 626 C ALA A 47 0.274 0.555 -8.675 1.00 62.22 C ATOM 627 O ALA A 47 0.903 0.677 -9.726 1.00 55.42 O ATOM 628 CB ALA A 47 1.191 1.286 -6.466 1.00 52.51 C ATOM 0 H ALA A 47 -1.216 1.717 -6.161 1.00 65.25 H new ATOM 0 HA ALA A 47 0.666 2.568 -8.096 1.00 42.41 H new ATOM 0 HB1 ALA A 47 2.194 1.082 -6.841 1.00 52.51 H new ATOM 0 HB2 ALA A 47 1.230 2.110 -5.753 1.00 52.51 H new ATOM 0 HB3 ALA A 47 0.800 0.397 -5.971 1.00 52.51 H new ATOM 634 N ALA A 48 -0.441 -0.526 -8.381 1.00 63.35 N ATOM 635 CA ALA A 48 -0.531 -1.655 -9.299 1.00 51.04 C ATOM 636 C ALA A 48 -0.924 -1.194 -10.699 1.00 31.31 C ATOM 637 O ALA A 48 -0.226 -1.473 -11.674 1.00 71.13 O ATOM 638 CB ALA A 48 -1.529 -2.680 -8.779 1.00 45.44 C ATOM 0 H ALA A 48 -0.966 -0.644 -7.515 1.00 63.35 H new ATOM 0 HA ALA A 48 0.453 -2.121 -9.361 1.00 51.04 H new ATOM 0 HB1 ALA A 48 -1.586 -3.517 -9.474 1.00 45.44 H new ATOM 0 HB2 ALA A 48 -1.205 -3.040 -7.803 1.00 45.44 H new ATOM 0 HB3 ALA A 48 -2.512 -2.217 -8.687 1.00 45.44 H new ATOM 644 N CYS A 49 -2.046 -0.488 -10.791 1.00 70.31 N ATOM 645 CA CYS A 49 -2.533 0.011 -12.071 1.00 73.54 C ATOM 646 C CYS A 49 -1.526 0.969 -12.701 1.00 30.51 C ATOM 647 O CYS A 49 -1.044 0.738 -13.809 1.00 4.12 O ATOM 648 CB CYS A 49 -3.879 0.715 -11.889 1.00 40.31 C ATOM 649 SG CYS A 49 -4.627 1.304 -13.443 1.00 24.53 S ATOM 0 H CYS A 49 -2.635 -0.249 -9.994 1.00 70.31 H new ATOM 0 HA CYS A 49 -2.663 -0.841 -12.738 1.00 73.54 H new ATOM 0 HB2 CYS A 49 -4.572 0.030 -11.402 1.00 40.31 H new ATOM 0 HB3 CYS A 49 -3.745 1.564 -11.218 1.00 40.31 H new ATOM 654 N ASN A 50 -1.214 2.044 -11.985 1.00 65.01 N ATOM 655 CA ASN A 50 -0.264 3.038 -12.473 1.00 70.52 C ATOM 656 C ASN A 50 0.999 2.367 -13.005 1.00 3.50 C ATOM 657 O ASN A 50 1.532 2.757 -14.045 1.00 14.43 O ATOM 658 CB ASN A 50 0.097 4.020 -11.357 1.00 63.31 C ATOM 659 CG ASN A 50 -1.086 4.865 -10.925 1.00 64.32 C ATOM 660 OD1 ASN A 50 -1.992 5.133 -11.714 1.00 21.01 O ATOM 661 ND2 ASN A 50 -1.081 5.289 -9.667 1.00 35.32 N ATOM 0 H ASN A 50 -1.605 2.249 -11.065 1.00 65.01 H new ATOM 0 HA ASN A 50 -0.735 3.585 -13.290 1.00 70.52 H new ATOM 0 HB2 ASN A 50 0.477 3.466 -10.499 1.00 63.31 H new ATOM 0 HB3 ASN A 50 0.901 4.673 -11.697 1.00 63.31 H new ATOM 0 HD21 ASN A 50 -1.850 5.862 -9.319 1.00 35.32 H new ATOM 0 HD22 ASN A 50 -0.308 5.042 -9.049 1.00 35.32 H new ATOM 668 N CYS A 51 1.474 1.357 -12.285 1.00 21.40 N ATOM 669 CA CYS A 51 2.674 0.631 -12.683 1.00 4.11 C ATOM 670 C CYS A 51 2.527 0.067 -14.093 1.00 35.20 C ATOM 671 O CYS A 51 3.407 0.238 -14.938 1.00 34.04 O ATOM 672 CB CYS A 51 2.961 -0.502 -11.696 1.00 24.02 C ATOM 673 SG CYS A 51 4.035 -0.022 -10.304 1.00 51.04 S ATOM 0 H CYS A 51 1.046 1.022 -11.422 1.00 21.40 H new ATOM 0 HA CYS A 51 3.510 1.330 -12.676 1.00 4.11 H new ATOM 0 HB2 CYS A 51 2.016 -0.873 -11.300 1.00 24.02 H new ATOM 0 HB3 CYS A 51 3.428 -1.328 -12.233 1.00 24.02 H new ATOM 678 N LEU A 52 1.408 -0.606 -14.340 1.00 63.15 N ATOM 679 CA LEU A 52 1.144 -1.196 -15.648 1.00 52.23 C ATOM 680 C LEU A 52 0.829 -0.116 -16.679 1.00 22.31 C ATOM 681 O LEU A 52 1.091 -0.285 -17.870 1.00 54.42 O ATOM 682 CB LEU A 52 -0.020 -2.185 -15.558 1.00 4.03 C ATOM 683 CG LEU A 52 0.138 -3.315 -14.540 1.00 30.12 C ATOM 684 CD1 LEU A 52 -1.040 -4.274 -14.620 1.00 42.21 C ATOM 685 CD2 LEU A 52 1.448 -4.056 -14.764 1.00 72.45 C ATOM 0 H LEU A 52 0.670 -0.757 -13.652 1.00 63.15 H new ATOM 0 HA LEU A 52 2.041 -1.727 -15.967 1.00 52.23 H new ATOM 0 HB2 LEU A 52 -0.926 -1.629 -15.316 1.00 4.03 H new ATOM 0 HB3 LEU A 52 -0.171 -2.628 -16.542 1.00 4.03 H new ATOM 0 HG LEU A 52 0.157 -2.878 -13.541 1.00 30.12 H new ATOM 0 HD11 LEU A 52 -0.910 -5.072 -13.888 1.00 42.21 H new ATOM 0 HD12 LEU A 52 -1.963 -3.735 -14.409 1.00 42.21 H new ATOM 0 HD13 LEU A 52 -1.092 -4.704 -15.620 1.00 42.21 H new ATOM 0 HD21 LEU A 52 1.543 -4.857 -14.030 1.00 72.45 H new ATOM 0 HD22 LEU A 52 1.459 -4.481 -15.768 1.00 72.45 H new ATOM 0 HD23 LEU A 52 2.282 -3.362 -14.654 1.00 72.45 H new ATOM 697 N LYS A 53 0.268 0.994 -16.212 1.00 42.25 N ATOM 698 CA LYS A 53 -0.079 2.104 -17.092 1.00 13.12 C ATOM 699 C LYS A 53 1.171 2.715 -17.717 1.00 72.44 C ATOM 700 O LYS A 53 1.171 3.085 -18.891 1.00 64.23 O ATOM 701 CB LYS A 53 -0.849 3.175 -16.316 1.00 11.04 C ATOM 702 CG LYS A 53 -2.129 2.663 -15.679 1.00 74.41 C ATOM 703 CD LYS A 53 -3.358 3.294 -16.311 1.00 51.43 C ATOM 704 CE LYS A 53 -3.486 2.917 -17.779 1.00 72.02 C ATOM 705 NZ LYS A 53 -3.916 1.502 -17.953 1.00 21.35 N ATOM 0 H LYS A 53 0.044 1.149 -15.229 1.00 42.25 H new ATOM 0 HA LYS A 53 -0.711 1.717 -17.891 1.00 13.12 H new ATOM 0 HB2 LYS A 53 -0.204 3.582 -15.538 1.00 11.04 H new ATOM 0 HB3 LYS A 53 -1.092 3.996 -16.990 1.00 11.04 H new ATOM 0 HG2 LYS A 53 -2.181 1.579 -15.784 1.00 74.41 H new ATOM 0 HG3 LYS A 53 -2.117 2.879 -14.611 1.00 74.41 H new ATOM 0 HD2 LYS A 53 -4.250 2.974 -15.773 1.00 51.43 H new ATOM 0 HD3 LYS A 53 -3.301 4.378 -16.216 1.00 51.43 H new ATOM 0 HE2 LYS A 53 -4.206 3.577 -18.262 1.00 72.02 H new ATOM 0 HE3 LYS A 53 -2.529 3.070 -18.278 1.00 72.02 H new ATOM 0 HZ1 LYS A 53 -3.734 1.202 -18.932 1.00 21.35 H new ATOM 0 HZ2 LYS A 53 -3.382 0.894 -17.299 1.00 21.35 H new ATOM 0 HZ3 LYS A 53 -4.933 1.421 -17.750 1.00 21.35 H new ATOM 719 N SER A 54 2.234 2.815 -16.926 1.00 42.23 N ATOM 720 CA SER A 54 3.490 3.383 -17.402 1.00 61.24 C ATOM 721 C SER A 54 4.217 2.402 -18.317 1.00 42.24 C ATOM 722 O SER A 54 4.724 2.780 -19.373 1.00 4.51 O ATOM 723 CB SER A 54 4.387 3.755 -16.220 1.00 14.30 C ATOM 724 OG SER A 54 5.750 3.787 -16.604 1.00 23.20 O ATOM 0 H SER A 54 2.251 2.510 -15.953 1.00 42.23 H new ATOM 0 HA SER A 54 3.260 4.283 -17.972 1.00 61.24 H new ATOM 0 HB2 SER A 54 4.093 4.729 -15.829 1.00 14.30 H new ATOM 0 HB3 SER A 54 4.250 3.034 -15.414 1.00 14.30 H new ATOM 0 HG SER A 54 6.302 4.029 -15.831 1.00 23.20 H new ATOM 730 N ALA A 55 4.263 1.140 -17.904 1.00 24.00 N ATOM 731 CA ALA A 55 4.926 0.104 -18.686 1.00 61.31 C ATOM 732 C ALA A 55 4.176 -0.167 -19.986 1.00 31.43 C ATOM 733 O ALA A 55 4.707 -0.795 -20.901 1.00 24.42 O ATOM 734 CB ALA A 55 5.051 -1.174 -17.870 1.00 62.42 C ATOM 0 H ALA A 55 3.849 0.810 -17.032 1.00 24.00 H new ATOM 0 HA ALA A 55 5.925 0.459 -18.941 1.00 61.31 H new ATOM 0 HB1 ALA A 55 5.548 -1.939 -18.466 1.00 62.42 H new ATOM 0 HB2 ALA A 55 5.637 -0.977 -16.972 1.00 62.42 H new ATOM 0 HB3 ALA A 55 4.058 -1.523 -17.586 1.00 62.42 H new ATOM 740 N ALA A 56 2.938 0.310 -20.059 1.00 74.33 N ATOM 741 CA ALA A 56 2.115 0.120 -21.248 1.00 21.44 C ATOM 742 C ALA A 56 2.345 1.238 -22.259 1.00 32.42 C ATOM 743 O ALA A 56 2.120 1.062 -23.455 1.00 74.44 O ATOM 744 CB ALA A 56 0.644 0.045 -20.865 1.00 43.30 C ATOM 0 H ALA A 56 2.483 0.831 -19.309 1.00 74.33 H new ATOM 0 HA ALA A 56 2.406 -0.821 -21.715 1.00 21.44 H new ATOM 0 HB1 ALA A 56 0.041 -0.097 -21.762 1.00 43.30 H new ATOM 0 HB2 ALA A 56 0.487 -0.793 -20.186 1.00 43.30 H new ATOM 0 HB3 ALA A 56 0.349 0.971 -20.372 1.00 43.30 H new ATOM 750 N GLY A 57 2.794 2.389 -21.769 1.00 42.32 N ATOM 751 CA GLY A 57 3.046 3.519 -22.644 1.00 51.51 C ATOM 752 C GLY A 57 4.238 3.295 -23.552 1.00 45.24 C ATOM 753 O GLY A 57 4.341 3.907 -24.616 1.00 21.41 O ATOM 0 H GLY A 57 2.988 2.559 -20.782 1.00 42.32 H new ATOM 0 HA2 GLY A 57 2.161 3.708 -23.252 1.00 51.51 H new ATOM 0 HA3 GLY A 57 3.215 4.411 -22.041 1.00 51.51 H new ATOM 757 N SER A 58 5.144 2.417 -23.132 1.00 55.03 N ATOM 758 CA SER A 58 6.338 2.118 -23.913 1.00 61.42 C ATOM 759 C SER A 58 6.083 0.962 -24.875 1.00 74.44 C ATOM 760 O SER A 58 6.997 0.488 -25.550 1.00 22.51 O ATOM 761 CB SER A 58 7.507 1.776 -22.986 1.00 55.05 C ATOM 762 OG SER A 58 8.749 2.070 -23.602 1.00 55.21 O ATOM 0 H SER A 58 5.073 1.901 -22.255 1.00 55.03 H new ATOM 0 HA SER A 58 6.592 3.004 -24.496 1.00 61.42 H new ATOM 0 HB2 SER A 58 7.416 2.339 -22.057 1.00 55.05 H new ATOM 0 HB3 SER A 58 7.469 0.719 -22.723 1.00 55.05 H new ATOM 0 HG SER A 58 8.749 1.726 -24.520 1.00 55.21 H new ATOM 768 N ILE A 59 4.833 0.513 -24.933 1.00 2.04 N ATOM 769 CA ILE A 59 4.456 -0.586 -25.812 1.00 63.43 C ATOM 770 C ILE A 59 3.666 -0.082 -27.015 1.00 44.13 C ATOM 771 O ILE A 59 2.771 0.752 -26.879 1.00 54.21 O ATOM 772 CB ILE A 59 3.617 -1.641 -25.067 1.00 63.33 C ATOM 773 CG1 ILE A 59 4.184 -1.878 -23.666 1.00 33.32 C ATOM 774 CG2 ILE A 59 3.580 -2.942 -25.856 1.00 54.32 C ATOM 775 CD1 ILE A 59 3.431 -2.928 -22.879 1.00 73.33 C ATOM 0 H ILE A 59 4.065 0.894 -24.381 1.00 2.04 H new ATOM 0 HA ILE A 59 5.382 -1.047 -26.155 1.00 63.43 H new ATOM 0 HB ILE A 59 2.597 -1.269 -24.968 1.00 63.33 H new ATOM 0 HG12 ILE A 59 5.228 -2.179 -23.752 1.00 33.32 H new ATOM 0 HG13 ILE A 59 4.167 -0.939 -23.112 1.00 33.32 H new ATOM 0 HG21 ILE A 59 2.983 -3.678 -25.317 1.00 54.32 H new ATOM 0 HG22 ILE A 59 3.136 -2.761 -26.835 1.00 54.32 H new ATOM 0 HG23 ILE A 59 4.595 -3.320 -25.982 1.00 54.32 H new ATOM 0 HD11 ILE A 59 3.888 -3.043 -21.896 1.00 73.33 H new ATOM 0 HD12 ILE A 59 2.392 -2.620 -22.762 1.00 73.33 H new ATOM 0 HD13 ILE A 59 3.469 -3.879 -23.411 1.00 73.33 H new ATOM 787 N THR A 60 4.003 -0.595 -28.195 1.00 1.32 N ATOM 788 CA THR A 60 3.326 -0.197 -29.422 1.00 75.34 C ATOM 789 C THR A 60 2.310 -1.249 -29.855 1.00 11.42 C ATOM 790 O THR A 60 1.309 -0.933 -30.499 1.00 2.42 O ATOM 791 CB THR A 60 4.329 0.033 -30.568 1.00 74.04 C ATOM 792 OG1 THR A 60 3.712 0.793 -31.614 1.00 2.34 O ATOM 793 CG2 THR A 60 4.828 -1.292 -31.125 1.00 10.21 C ATOM 0 H THR A 60 4.741 -1.287 -28.326 1.00 1.32 H new ATOM 0 HA THR A 60 2.809 0.738 -29.209 1.00 75.34 H new ATOM 0 HB THR A 60 5.180 0.586 -30.170 1.00 74.04 H new ATOM 0 HG1 THR A 60 4.357 0.936 -32.338 1.00 2.34 H new ATOM 0 HG21 THR A 60 5.535 -1.104 -31.933 1.00 10.21 H new ATOM 0 HG22 THR A 60 5.323 -1.856 -30.334 1.00 10.21 H new ATOM 0 HG23 THR A 60 3.984 -1.867 -31.507 1.00 10.21 H new ATOM 801 N LYS A 61 2.573 -2.501 -29.497 1.00 15.14 N ATOM 802 CA LYS A 61 1.680 -3.600 -29.846 1.00 25.15 C ATOM 803 C LYS A 61 0.676 -3.861 -28.728 1.00 74.00 C ATOM 804 O LYS A 61 0.018 -4.902 -28.701 1.00 75.05 O ATOM 805 CB LYS A 61 2.488 -4.870 -30.127 1.00 14.44 C ATOM 806 CG LYS A 61 3.059 -4.928 -31.533 1.00 31.22 C ATOM 807 CD LYS A 61 4.071 -6.052 -31.677 1.00 23.11 C ATOM 808 CE LYS A 61 4.531 -6.207 -33.119 1.00 11.35 C ATOM 809 NZ LYS A 61 5.191 -7.521 -33.352 1.00 43.23 N ATOM 0 H LYS A 61 3.397 -2.780 -28.965 1.00 15.14 H new ATOM 0 HA LYS A 61 1.131 -3.319 -30.745 1.00 25.15 H new ATOM 0 HB2 LYS A 61 3.305 -4.937 -29.409 1.00 14.44 H new ATOM 0 HB3 LYS A 61 1.850 -5.739 -29.967 1.00 14.44 H new ATOM 0 HG2 LYS A 61 2.250 -5.071 -32.250 1.00 31.22 H new ATOM 0 HG3 LYS A 61 3.534 -3.977 -31.774 1.00 31.22 H new ATOM 0 HD2 LYS A 61 4.932 -5.852 -31.039 1.00 23.11 H new ATOM 0 HD3 LYS A 61 3.629 -6.987 -31.332 1.00 23.11 H new ATOM 0 HE2 LYS A 61 3.675 -6.107 -33.786 1.00 11.35 H new ATOM 0 HE3 LYS A 61 5.224 -5.403 -33.368 1.00 11.35 H new ATOM 0 HZ1 LYS A 61 5.490 -7.588 -34.346 1.00 43.23 H new ATOM 0 HZ2 LYS A 61 6.023 -7.606 -32.734 1.00 43.23 H new ATOM 0 HZ3 LYS A 61 4.522 -8.288 -33.139 1.00 43.23 H new ATOM 823 N LEU A 62 0.561 -2.910 -27.808 1.00 12.20 N ATOM 824 CA LEU A 62 -0.366 -3.036 -26.688 1.00 62.13 C ATOM 825 C LEU A 62 -1.811 -3.049 -27.176 1.00 40.52 C ATOM 826 O LEU A 62 -2.254 -2.126 -27.858 1.00 50.52 O ATOM 827 CB LEU A 62 -0.160 -1.888 -25.698 1.00 63.42 C ATOM 828 CG LEU A 62 -1.170 -1.800 -24.554 1.00 1.23 C ATOM 829 CD1 LEU A 62 -0.848 -2.824 -23.477 1.00 22.21 C ATOM 830 CD2 LEU A 62 -1.190 -0.396 -23.968 1.00 2.44 C ATOM 0 H LEU A 62 1.098 -2.043 -27.815 1.00 12.20 H new ATOM 0 HA LEU A 62 -0.163 -3.982 -26.185 1.00 62.13 H new ATOM 0 HB2 LEU A 62 0.838 -1.979 -25.269 1.00 63.42 H new ATOM 0 HB3 LEU A 62 -0.185 -0.949 -26.251 1.00 63.42 H new ATOM 0 HG LEU A 62 -2.161 -2.021 -24.952 1.00 1.23 H new ATOM 0 HD11 LEU A 62 -1.578 -2.746 -22.671 1.00 22.21 H new ATOM 0 HD12 LEU A 62 -0.885 -3.826 -23.905 1.00 22.21 H new ATOM 0 HD13 LEU A 62 0.150 -2.635 -23.082 1.00 22.21 H new ATOM 0 HD21 LEU A 62 -1.915 -0.351 -23.155 1.00 2.44 H new ATOM 0 HD22 LEU A 62 -0.200 -0.147 -23.586 1.00 2.44 H new ATOM 0 HD23 LEU A 62 -1.470 0.318 -24.743 1.00 2.44 H new ATOM 842 N ASN A 63 -2.541 -4.100 -26.820 1.00 34.22 N ATOM 843 CA ASN A 63 -3.938 -4.232 -27.220 1.00 64.01 C ATOM 844 C ASN A 63 -4.869 -3.952 -26.045 1.00 12.03 C ATOM 845 O ASN A 63 -5.200 -4.852 -25.272 1.00 11.45 O ATOM 846 CB ASN A 63 -4.201 -5.635 -27.771 1.00 55.45 C ATOM 847 CG ASN A 63 -3.560 -5.853 -29.128 1.00 50.53 C ATOM 848 OD1 ASN A 63 -2.336 -5.835 -29.259 1.00 0.24 O ATOM 849 ND2 ASN A 63 -4.387 -6.059 -30.147 1.00 25.41 N ATOM 0 H ASN A 63 -2.189 -4.873 -26.255 1.00 34.22 H new ATOM 0 HA ASN A 63 -4.138 -3.498 -28.001 1.00 64.01 H new ATOM 0 HB2 ASN A 63 -3.819 -6.376 -27.069 1.00 55.45 H new ATOM 0 HB3 ASN A 63 -5.276 -5.796 -27.850 1.00 55.45 H new ATOM 0 HD21 ASN A 63 -4.014 -6.211 -31.084 1.00 25.41 H new ATOM 0 HD22 ASN A 63 -5.395 -6.066 -29.992 1.00 25.41 H new ATOM 856 N THR A 64 -5.290 -2.697 -25.916 1.00 72.51 N ATOM 857 CA THR A 64 -6.183 -2.298 -24.836 1.00 0.13 C ATOM 858 C THR A 64 -7.415 -3.194 -24.781 1.00 21.05 C ATOM 859 O THR A 64 -8.019 -3.371 -23.723 1.00 44.43 O ATOM 860 CB THR A 64 -6.634 -0.833 -24.992 1.00 70.42 C ATOM 861 OG1 THR A 64 -7.532 -0.713 -26.101 1.00 71.30 O ATOM 862 CG2 THR A 64 -5.437 0.082 -25.201 1.00 12.10 C ATOM 0 H THR A 64 -5.026 -1.940 -26.547 1.00 72.51 H new ATOM 0 HA THR A 64 -5.621 -2.401 -23.908 1.00 0.13 H new ATOM 0 HB THR A 64 -7.145 -0.533 -24.077 1.00 70.42 H new ATOM 0 HG1 THR A 64 -7.816 0.221 -26.193 1.00 71.30 H new ATOM 0 HG21 THR A 64 -5.780 1.111 -25.309 1.00 12.10 H new ATOM 0 HG22 THR A 64 -4.770 0.010 -24.342 1.00 12.10 H new ATOM 0 HG23 THR A 64 -4.902 -0.218 -26.102 1.00 12.10 H new ATOM 870 N ASN A 65 -7.782 -3.758 -25.926 1.00 72.34 N ATOM 871 CA ASN A 65 -8.943 -4.637 -26.008 1.00 32.21 C ATOM 872 C ASN A 65 -8.728 -5.901 -25.181 1.00 63.33 C ATOM 873 O ASN A 65 -9.626 -6.351 -24.471 1.00 23.10 O ATOM 874 CB ASN A 65 -9.226 -5.009 -27.465 1.00 31.22 C ATOM 875 CG ASN A 65 -10.175 -4.036 -28.136 1.00 53.43 C ATOM 876 OD1 ASN A 65 -11.378 -4.043 -27.874 1.00 71.42 O ATOM 877 ND2 ASN A 65 -9.637 -3.191 -29.008 1.00 50.21 N ATOM 0 H ASN A 65 -7.292 -3.622 -26.811 1.00 72.34 H new ATOM 0 HA ASN A 65 -9.802 -4.101 -25.604 1.00 32.21 H new ATOM 0 HB2 ASN A 65 -8.288 -5.037 -28.019 1.00 31.22 H new ATOM 0 HB3 ASN A 65 -9.650 -6.012 -27.505 1.00 31.22 H new ATOM 0 HD21 ASN A 65 -10.226 -2.513 -29.491 1.00 50.21 H new ATOM 0 HD22 ASN A 65 -8.635 -3.220 -29.195 1.00 50.21 H new ATOM 884 N ASN A 66 -7.530 -6.469 -25.279 1.00 41.24 N ATOM 885 CA ASN A 66 -7.196 -7.681 -24.541 1.00 23.13 C ATOM 886 C ASN A 66 -6.942 -7.369 -23.069 1.00 42.11 C ATOM 887 O ASN A 66 -7.033 -8.248 -22.213 1.00 23.11 O ATOM 888 CB ASN A 66 -5.964 -8.352 -25.151 1.00 64.03 C ATOM 889 CG ASN A 66 -6.251 -8.963 -26.509 1.00 34.51 C ATOM 890 OD1 ASN A 66 -7.242 -9.673 -26.685 1.00 63.31 O ATOM 891 ND2 ASN A 66 -5.384 -8.690 -27.477 1.00 31.14 N ATOM 0 H ASN A 66 -6.775 -6.109 -25.862 1.00 41.24 H new ATOM 0 HA ASN A 66 -8.044 -8.363 -24.609 1.00 23.13 H new ATOM 0 HB2 ASN A 66 -5.164 -7.618 -25.248 1.00 64.03 H new ATOM 0 HB3 ASN A 66 -5.604 -9.128 -24.475 1.00 64.03 H new ATOM 0 HD21 ASN A 66 -5.526 -9.074 -28.411 1.00 31.14 H new ATOM 0 HD22 ASN A 66 -4.577 -8.097 -27.286 1.00 31.14 H new ATOM 898 N ALA A 67 -6.623 -6.111 -22.783 1.00 55.32 N ATOM 899 CA ALA A 67 -6.359 -5.681 -21.416 1.00 31.45 C ATOM 900 C ALA A 67 -7.653 -5.558 -20.619 1.00 15.10 C ATOM 901 O ALA A 67 -7.689 -5.854 -19.425 1.00 52.30 O ATOM 902 CB ALA A 67 -5.608 -4.359 -21.414 1.00 5.54 C ATOM 0 H ALA A 67 -6.541 -5.371 -23.481 1.00 55.32 H new ATOM 0 HA ALA A 67 -5.739 -6.439 -20.937 1.00 31.45 H new ATOM 0 HB1 ALA A 67 -5.418 -4.050 -20.386 1.00 5.54 H new ATOM 0 HB2 ALA A 67 -4.660 -4.478 -21.938 1.00 5.54 H new ATOM 0 HB3 ALA A 67 -6.207 -3.599 -21.916 1.00 5.54 H new ATOM 908 N ALA A 68 -8.715 -5.118 -21.288 1.00 24.34 N ATOM 909 CA ALA A 68 -10.011 -4.957 -20.642 1.00 14.01 C ATOM 910 C ALA A 68 -10.691 -6.306 -20.431 1.00 54.53 C ATOM 911 O ALA A 68 -11.312 -6.543 -19.396 1.00 33.23 O ATOM 912 CB ALA A 68 -10.901 -4.038 -21.466 1.00 62.23 C ATOM 0 H ALA A 68 -8.702 -4.867 -22.277 1.00 24.34 H new ATOM 0 HA ALA A 68 -9.848 -4.505 -19.664 1.00 14.01 H new ATOM 0 HB1 ALA A 68 -11.866 -3.927 -20.972 1.00 62.23 H new ATOM 0 HB2 ALA A 68 -10.427 -3.061 -21.560 1.00 62.23 H new ATOM 0 HB3 ALA A 68 -11.049 -4.467 -22.457 1.00 62.23 H new ATOM 918 N ALA A 69 -10.570 -7.185 -21.420 1.00 55.24 N ATOM 919 CA ALA A 69 -11.173 -8.510 -21.342 1.00 45.04 C ATOM 920 C ALA A 69 -10.245 -9.494 -20.638 1.00 44.10 C ATOM 921 O ALA A 69 -10.634 -10.622 -20.335 1.00 34.44 O ATOM 922 CB ALA A 69 -11.521 -9.014 -22.735 1.00 63.30 C ATOM 0 H ALA A 69 -10.060 -7.004 -22.285 1.00 55.24 H new ATOM 0 HA ALA A 69 -12.089 -8.432 -20.756 1.00 45.04 H new ATOM 0 HB1 ALA A 69 -11.970 -10.004 -22.662 1.00 63.30 H new ATOM 0 HB2 ALA A 69 -12.227 -8.329 -23.204 1.00 63.30 H new ATOM 0 HB3 ALA A 69 -10.615 -9.070 -23.338 1.00 63.30 H new ATOM 928 N LEU A 70 -9.016 -9.060 -20.381 1.00 24.40 N ATOM 929 CA LEU A 70 -8.031 -9.904 -19.712 1.00 41.13 C ATOM 930 C LEU A 70 -8.566 -10.411 -18.377 1.00 23.30 C ATOM 931 O LEU A 70 -8.672 -11.615 -18.140 1.00 13.20 O ATOM 932 CB LEU A 70 -6.731 -9.128 -19.492 1.00 70.14 C ATOM 933 CG LEU A 70 -5.897 -9.545 -18.280 1.00 54.03 C ATOM 934 CD1 LEU A 70 -5.484 -11.004 -18.393 1.00 70.21 C ATOM 935 CD2 LEU A 70 -4.674 -8.651 -18.142 1.00 25.32 C ATOM 0 H LEU A 70 -8.678 -8.129 -20.625 1.00 24.40 H new ATOM 0 HA LEU A 70 -7.830 -10.763 -20.352 1.00 41.13 H new ATOM 0 HB2 LEU A 70 -6.114 -9.231 -20.385 1.00 70.14 H new ATOM 0 HB3 LEU A 70 -6.975 -8.070 -19.393 1.00 70.14 H new ATOM 0 HG LEU A 70 -6.508 -9.431 -17.385 1.00 54.03 H new ATOM 0 HD11 LEU A 70 -4.891 -11.283 -17.522 1.00 70.21 H new ATOM 0 HD12 LEU A 70 -6.374 -11.631 -18.442 1.00 70.21 H new ATOM 0 HD13 LEU A 70 -4.890 -11.145 -19.296 1.00 70.21 H new ATOM 0 HD21 LEU A 70 -4.092 -8.962 -17.274 1.00 25.32 H new ATOM 0 HD22 LEU A 70 -4.060 -8.733 -19.039 1.00 25.32 H new ATOM 0 HD23 LEU A 70 -4.992 -7.616 -18.014 1.00 25.32 H new ATOM 947 N PRO A 71 -8.913 -9.473 -17.483 1.00 65.31 N ATOM 948 CA PRO A 71 -9.445 -9.802 -16.157 1.00 41.44 C ATOM 949 C PRO A 71 -10.848 -10.394 -16.227 1.00 13.03 C ATOM 950 O PRO A 71 -11.259 -11.147 -15.345 1.00 62.40 O ATOM 951 CB PRO A 71 -9.470 -8.449 -15.441 1.00 32.35 C ATOM 952 CG PRO A 71 -9.569 -7.443 -16.534 1.00 41.42 C ATOM 953 CD PRO A 71 -8.812 -8.020 -17.698 1.00 71.02 C ATOM 0 HA PRO A 71 -8.843 -10.557 -15.651 1.00 41.44 H new ATOM 0 HB2 PRO A 71 -10.318 -8.378 -14.759 1.00 32.35 H new ATOM 0 HB3 PRO A 71 -8.569 -8.299 -14.846 1.00 32.35 H new ATOM 0 HG2 PRO A 71 -10.610 -7.256 -16.799 1.00 41.42 H new ATOM 0 HG3 PRO A 71 -9.142 -6.489 -16.226 1.00 41.42 H new ATOM 0 HD2 PRO A 71 -9.251 -7.723 -18.650 1.00 71.02 H new ATOM 0 HD3 PRO A 71 -7.774 -7.686 -17.708 1.00 71.02 H new ATOM 961 N GLY A 72 -11.580 -10.048 -17.282 1.00 34.45 N ATOM 962 CA GLY A 72 -12.930 -10.556 -17.446 1.00 51.31 C ATOM 963 C GLY A 72 -12.955 -12.016 -17.852 1.00 51.23 C ATOM 964 O GLY A 72 -13.591 -12.840 -17.195 1.00 71.34 O ATOM 0 H GLY A 72 -11.263 -9.426 -18.025 1.00 34.45 H new ATOM 0 HA2 GLY A 72 -13.477 -10.433 -16.511 1.00 51.31 H new ATOM 0 HA3 GLY A 72 -13.449 -9.964 -18.200 1.00 51.31 H new ATOM 968 N LYS A 73 -12.263 -12.338 -18.940 1.00 3.33 N ATOM 969 CA LYS A 73 -12.207 -13.708 -19.434 1.00 75.23 C ATOM 970 C LYS A 73 -11.626 -14.644 -18.379 1.00 74.44 C ATOM 971 O LYS A 73 -11.845 -15.856 -18.422 1.00 2.55 O ATOM 972 CB LYS A 73 -11.367 -13.778 -20.712 1.00 13.25 C ATOM 973 CG LYS A 73 -12.174 -13.575 -21.982 1.00 53.32 C ATOM 974 CD LYS A 73 -11.289 -13.160 -23.145 1.00 5.31 C ATOM 975 CE LYS A 73 -12.072 -12.384 -24.193 1.00 63.42 C ATOM 976 NZ LYS A 73 -12.995 -13.266 -24.960 1.00 13.32 N ATOM 0 H LYS A 73 -11.733 -11.668 -19.497 1.00 3.33 H new ATOM 0 HA LYS A 73 -13.225 -14.028 -19.658 1.00 75.23 H new ATOM 0 HB2 LYS A 73 -10.584 -13.021 -20.664 1.00 13.25 H new ATOM 0 HB3 LYS A 73 -10.871 -14.747 -20.758 1.00 13.25 H new ATOM 0 HG2 LYS A 73 -12.697 -14.498 -22.233 1.00 53.32 H new ATOM 0 HG3 LYS A 73 -12.935 -12.813 -21.813 1.00 53.32 H new ATOM 0 HD2 LYS A 73 -10.466 -12.547 -22.777 1.00 5.31 H new ATOM 0 HD3 LYS A 73 -10.847 -14.046 -23.601 1.00 5.31 H new ATOM 0 HE2 LYS A 73 -12.644 -11.594 -23.707 1.00 63.42 H new ATOM 0 HE3 LYS A 73 -11.378 -11.899 -24.880 1.00 63.42 H new ATOM 0 HZ1 LYS A 73 -13.510 -12.700 -25.664 1.00 13.32 H new ATOM 0 HZ2 LYS A 73 -12.447 -14.005 -25.444 1.00 13.32 H new ATOM 0 HZ3 LYS A 73 -13.673 -13.709 -24.308 1.00 13.32 H new ATOM 990 N CYS A 74 -10.887 -14.076 -17.433 1.00 41.22 N ATOM 991 CA CYS A 74 -10.275 -14.859 -16.366 1.00 51.33 C ATOM 992 C CYS A 74 -11.210 -14.965 -15.165 1.00 0.22 C ATOM 993 O CYS A 74 -10.803 -15.388 -14.084 1.00 31.22 O ATOM 994 CB CYS A 74 -8.948 -14.229 -15.940 1.00 1.45 C ATOM 995 SG CYS A 74 -7.625 -14.368 -17.184 1.00 4.03 S ATOM 0 H CYS A 74 -10.697 -13.075 -17.383 1.00 41.22 H new ATOM 0 HA CYS A 74 -10.087 -15.863 -16.747 1.00 51.33 H new ATOM 0 HB2 CYS A 74 -9.114 -13.175 -15.718 1.00 1.45 H new ATOM 0 HB3 CYS A 74 -8.614 -14.701 -15.016 1.00 1.45 H new ATOM 1000 N GLY A 75 -12.466 -14.577 -15.363 1.00 53.12 N ATOM 1001 CA GLY A 75 -13.439 -14.636 -14.288 1.00 74.13 C ATOM 1002 C GLY A 75 -13.011 -13.838 -13.073 1.00 44.54 C ATOM 1003 O GLY A 75 -12.658 -14.406 -12.040 1.00 34.50 O ATOM 0 H GLY A 75 -12.827 -14.223 -16.249 1.00 53.12 H new ATOM 0 HA2 GLY A 75 -14.396 -14.259 -14.648 1.00 74.13 H new ATOM 0 HA3 GLY A 75 -13.594 -15.676 -14.000 1.00 74.13 H new ATOM 1007 N VAL A 76 -13.038 -12.514 -13.197 1.00 33.31 N ATOM 1008 CA VAL A 76 -12.649 -11.636 -12.100 1.00 41.23 C ATOM 1009 C VAL A 76 -13.654 -10.504 -11.919 1.00 50.14 C ATOM 1010 O VAL A 76 -14.252 -10.031 -12.885 1.00 45.30 O ATOM 1011 CB VAL A 76 -11.251 -11.034 -12.333 1.00 45.52 C ATOM 1012 CG1 VAL A 76 -10.774 -10.294 -11.092 1.00 51.24 C ATOM 1013 CG2 VAL A 76 -10.262 -12.120 -12.729 1.00 30.14 C ATOM 0 H VAL A 76 -13.325 -12.027 -14.046 1.00 33.31 H new ATOM 0 HA VAL A 76 -12.628 -12.247 -11.197 1.00 41.23 H new ATOM 0 HB VAL A 76 -11.316 -10.317 -13.152 1.00 45.52 H new ATOM 0 HG11 VAL A 76 -9.784 -9.876 -11.276 1.00 51.24 H new ATOM 0 HG12 VAL A 76 -11.471 -9.489 -10.858 1.00 51.24 H new ATOM 0 HG13 VAL A 76 -10.725 -10.987 -10.252 1.00 51.24 H new ATOM 0 HG21 VAL A 76 -9.279 -11.676 -12.890 1.00 30.14 H new ATOM 0 HG22 VAL A 76 -10.199 -12.863 -11.934 1.00 30.14 H new ATOM 0 HG23 VAL A 76 -10.598 -12.600 -13.648 1.00 30.14 H new ATOM 1132 N SER A 83 -10.351 1.803 -18.571 1.00 64.11 N ATOM 1133 CA SER A 83 -9.960 2.939 -19.398 1.00 22.14 C ATOM 1134 C SER A 83 -8.526 3.363 -19.095 1.00 63.24 C ATOM 1135 O SER A 83 -8.223 3.836 -17.999 1.00 62.24 O ATOM 1136 CB SER A 83 -10.911 4.115 -19.168 1.00 4.25 C ATOM 1137 OG SER A 83 -11.891 4.186 -20.188 1.00 60.33 O ATOM 0 HA SER A 83 -10.017 2.634 -20.443 1.00 22.14 H new ATOM 0 HB2 SER A 83 -11.398 4.009 -18.199 1.00 4.25 H new ATOM 0 HB3 SER A 83 -10.344 5.045 -19.139 1.00 4.25 H new ATOM 0 HG SER A 83 -12.487 4.945 -20.017 1.00 60.33 H new ATOM 1143 N THR A 84 -7.645 3.190 -20.076 1.00 62.30 N ATOM 1144 CA THR A 84 -6.242 3.552 -19.916 1.00 53.35 C ATOM 1145 C THR A 84 -6.090 5.037 -19.605 1.00 33.31 C ATOM 1146 O THR A 84 -5.052 5.475 -19.107 1.00 73.24 O ATOM 1147 CB THR A 84 -5.428 3.219 -21.181 1.00 34.20 C ATOM 1148 OG1 THR A 84 -5.944 3.947 -22.301 1.00 65.13 O ATOM 1149 CG2 THR A 84 -5.473 1.727 -21.475 1.00 60.04 C ATOM 0 H THR A 84 -7.879 2.801 -20.990 1.00 62.30 H new ATOM 0 HA THR A 84 -5.858 2.967 -19.081 1.00 53.35 H new ATOM 0 HB THR A 84 -4.392 3.508 -21.007 1.00 34.20 H new ATOM 0 HG1 THR A 84 -5.420 3.731 -23.101 1.00 65.13 H new ATOM 0 HG21 THR A 84 -4.892 1.515 -22.372 1.00 60.04 H new ATOM 0 HG22 THR A 84 -5.053 1.177 -20.633 1.00 60.04 H new ATOM 0 HG23 THR A 84 -6.507 1.418 -21.631 1.00 60.04 H new ATOM 1157 N THR A 85 -7.132 5.808 -19.900 1.00 1.52 N ATOM 1158 CA THR A 85 -7.114 7.244 -19.651 1.00 42.45 C ATOM 1159 C THR A 85 -7.617 7.566 -18.249 1.00 5.22 C ATOM 1160 O THR A 85 -7.582 8.718 -17.814 1.00 52.02 O ATOM 1161 CB THR A 85 -7.974 8.003 -20.679 1.00 51.25 C ATOM 1162 OG1 THR A 85 -7.793 9.415 -20.523 1.00 13.02 O ATOM 1163 CG2 THR A 85 -9.446 7.654 -20.516 1.00 42.14 C ATOM 0 H THR A 85 -7.999 5.462 -20.312 1.00 1.52 H new ATOM 0 HA THR A 85 -6.077 7.568 -19.745 1.00 42.45 H new ATOM 0 HB THR A 85 -7.654 7.705 -21.678 1.00 51.25 H new ATOM 0 HG1 THR A 85 -7.526 9.611 -19.601 1.00 13.02 H new ATOM 0 HG21 THR A 85 -10.034 8.202 -21.253 1.00 42.14 H new ATOM 0 HG22 THR A 85 -9.585 6.583 -20.665 1.00 42.14 H new ATOM 0 HG23 THR A 85 -9.776 7.927 -19.513 1.00 42.14 H new ATOM 1171 N THR A 86 -8.083 6.541 -17.543 1.00 13.14 N ATOM 1172 CA THR A 86 -8.594 6.715 -16.189 1.00 23.04 C ATOM 1173 C THR A 86 -7.455 6.878 -15.188 1.00 61.25 C ATOM 1174 O THR A 86 -6.401 6.259 -15.328 1.00 43.41 O ATOM 1175 CB THR A 86 -9.470 5.523 -15.761 1.00 75.23 C ATOM 1176 OG1 THR A 86 -10.619 5.430 -16.611 1.00 54.20 O ATOM 1177 CG2 THR A 86 -9.915 5.669 -14.314 1.00 5.03 C ATOM 0 H THR A 86 -8.117 5.581 -17.886 1.00 13.14 H new ATOM 0 HA THR A 86 -9.202 7.620 -16.195 1.00 23.04 H new ATOM 0 HB THR A 86 -8.876 4.614 -15.851 1.00 75.23 H new ATOM 0 HG1 THR A 86 -11.314 4.901 -16.166 1.00 54.20 H new ATOM 0 HG21 THR A 86 -10.532 4.815 -14.035 1.00 5.03 H new ATOM 0 HG22 THR A 86 -9.039 5.710 -13.666 1.00 5.03 H new ATOM 0 HG23 THR A 86 -10.493 6.586 -14.202 1.00 5.03 H new ATOM 1185 N ASN A 87 -7.675 7.714 -14.179 1.00 31.20 N ATOM 1186 CA ASN A 87 -6.666 7.958 -13.155 1.00 31.35 C ATOM 1187 C ASN A 87 -6.771 6.929 -12.032 1.00 42.43 C ATOM 1188 O ASN A 87 -7.614 7.048 -11.143 1.00 54.31 O ATOM 1189 CB ASN A 87 -6.819 9.369 -12.584 1.00 52.11 C ATOM 1190 CG ASN A 87 -5.502 9.942 -12.098 1.00 10.20 C ATOM 1191 OD1 ASN A 87 -4.473 9.266 -12.117 1.00 53.24 O ATOM 1192 ND2 ASN A 87 -5.528 11.195 -11.658 1.00 54.04 N ATOM 0 H ASN A 87 -8.543 8.234 -14.048 1.00 31.20 H new ATOM 0 HA ASN A 87 -5.684 7.866 -13.619 1.00 31.35 H new ATOM 0 HB2 ASN A 87 -7.237 10.024 -13.348 1.00 52.11 H new ATOM 0 HB3 ASN A 87 -7.530 9.349 -11.758 1.00 52.11 H new ATOM 0 HD21 ASN A 87 -4.672 11.634 -11.318 1.00 54.04 H new ATOM 0 HD22 ASN A 87 -6.404 11.718 -11.660 1.00 54.04 H new ATOM 1199 N CYS A 88 -5.908 5.920 -12.080 1.00 2.14 N ATOM 1200 CA CYS A 88 -5.902 4.870 -11.068 1.00 3.50 C ATOM 1201 C CYS A 88 -5.420 5.412 -9.725 1.00 62.01 C ATOM 1202 O CYS A 88 -5.483 4.723 -8.708 1.00 15.32 O ATOM 1203 CB CYS A 88 -5.009 3.710 -11.512 1.00 52.04 C ATOM 1204 SG CYS A 88 -5.313 3.150 -13.219 1.00 31.41 S ATOM 0 H CYS A 88 -5.204 5.807 -12.809 1.00 2.14 H new ATOM 0 HA CYS A 88 -6.923 4.509 -10.949 1.00 3.50 H new ATOM 0 HB2 CYS A 88 -3.966 4.013 -11.420 1.00 52.04 H new ATOM 0 HB3 CYS A 88 -5.158 2.870 -10.833 1.00 52.04 H new ATOM 1209 N ASN A 89 -4.938 6.651 -9.731 1.00 61.45 N ATOM 1210 CA ASN A 89 -4.445 7.285 -8.514 1.00 43.04 C ATOM 1211 C ASN A 89 -5.602 7.759 -7.640 1.00 71.44 C ATOM 1212 O ASN A 89 -5.453 7.926 -6.429 1.00 70.44 O ATOM 1213 CB ASN A 89 -3.537 8.467 -8.862 1.00 62.52 C ATOM 1214 CG ASN A 89 -2.085 8.202 -8.515 1.00 24.41 C ATOM 1215 OD1 ASN A 89 -1.759 7.858 -7.378 1.00 53.14 O ATOM 1216 ND2 ASN A 89 -1.203 8.361 -9.496 1.00 34.25 N ATOM 0 H ASN A 89 -4.878 7.235 -10.565 1.00 61.45 H new ATOM 0 HA ASN A 89 -3.871 6.545 -7.956 1.00 43.04 H new ATOM 0 HB2 ASN A 89 -3.619 8.684 -9.927 1.00 62.52 H new ATOM 0 HB3 ASN A 89 -3.879 9.354 -8.329 1.00 62.52 H new ATOM 0 HD21 ASN A 89 -0.211 8.197 -9.322 1.00 34.25 H new ATOM 0 HD22 ASN A 89 -1.517 8.647 -10.423 1.00 34.25 H new ATOM 1223 N THR A 90 -6.757 7.973 -8.263 1.00 12.33 N ATOM 1224 CA THR A 90 -7.940 8.428 -7.543 1.00 31.11 C ATOM 1225 C THR A 90 -8.912 7.279 -7.301 1.00 70.21 C ATOM 1226 O THR A 90 -10.129 7.461 -7.348 1.00 4.01 O ATOM 1227 CB THR A 90 -8.668 9.548 -8.309 1.00 50.35 C ATOM 1228 OG1 THR A 90 -9.305 9.011 -9.474 1.00 43.23 O ATOM 1229 CG2 THR A 90 -7.696 10.645 -8.717 1.00 1.10 C ATOM 0 H THR A 90 -6.898 7.839 -9.264 1.00 12.33 H new ATOM 0 HA THR A 90 -7.596 8.818 -6.585 1.00 31.11 H new ATOM 0 HB THR A 90 -9.421 9.979 -7.649 1.00 50.35 H new ATOM 0 HG1 THR A 90 -8.688 8.403 -9.933 1.00 43.23 H new ATOM 0 HG21 THR A 90 -8.233 11.425 -9.257 1.00 1.10 H new ATOM 0 HG22 THR A 90 -7.234 11.072 -7.827 1.00 1.10 H new ATOM 0 HG23 THR A 90 -6.923 10.225 -9.361 1.00 1.10 H new ATOM 1237 N VAL A 91 -8.368 6.094 -7.042 1.00 3.15 N ATOM 1238 CA VAL A 91 -9.187 4.915 -6.790 1.00 74.22 C ATOM 1239 C VAL A 91 -9.036 4.437 -5.350 1.00 62.15 C ATOM 1240 O VAL A 91 -7.967 4.563 -4.752 1.00 34.33 O ATOM 1241 CB VAL A 91 -8.820 3.762 -7.743 1.00 43.25 C ATOM 1242 CG1 VAL A 91 -8.735 4.262 -9.178 1.00 21.33 C ATOM 1243 CG2 VAL A 91 -7.510 3.116 -7.317 1.00 74.20 C ATOM 0 H VAL A 91 -7.363 5.925 -7.001 1.00 3.15 H new ATOM 0 HA VAL A 91 -10.222 5.207 -6.966 1.00 74.22 H new ATOM 0 HB VAL A 91 -9.605 3.007 -7.692 1.00 43.25 H new ATOM 0 HG11 VAL A 91 -8.475 3.434 -9.837 1.00 21.33 H new ATOM 0 HG12 VAL A 91 -9.698 4.675 -9.477 1.00 21.33 H new ATOM 0 HG13 VAL A 91 -7.971 5.036 -9.249 1.00 21.33 H new ATOM 0 HG21 VAL A 91 -7.266 2.303 -8.001 1.00 74.20 H new ATOM 0 HG22 VAL A 91 -6.714 3.860 -7.338 1.00 74.20 H new ATOM 0 HG23 VAL A 91 -7.611 2.721 -6.306 1.00 74.20 H new