USER MOD reduce.3.24.130724 H: found=0, std=0, add=663, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 661 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 69 SER OG : rot -96:sc= 1.13 USER MOD Set 1.2: A 71 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 5 TYR OH : rot 180:sc= 0.593 USER MOD Set 2.2: A 86 LYS NZ :NH3+ 179:sc= 0.116 (180deg=-0.625) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -130:sc= 0.601 (180deg=-0.0233) USER MOD Single : A 6 LYS NZ :NH3+ -110:sc= -4.1! (180deg=-6.71!) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 THR OG1 : rot -102:sc= 1.08 USER MOD Single : A 16 GLN : amide:sc= -1.25 K(o=-1.2,f=-2.4) USER MOD Single : A 17 LYS NZ :NH3+ -162:sc= -0.0909 (180deg=-0.436) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 CYS SG : rot -5:sc= 0.0697 USER MOD Single : A 37 SER OG : rot 180:sc= 0.0211 USER MOD Single : A 38 THR OG1 : rot -170:sc= -0.975 USER MOD Single : A 39 LYS NZ :NH3+ -158:sc= -0.0466 (180deg=-0.429) USER MOD Single : A 43 LYS NZ :NH3+ -106:sc= -0.265 (180deg=-0.978) USER MOD Single : A 45 MET CE :methyl 174:sc= -2.64! (180deg=-2.8) USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -0.133 X(o=-0.13,f=0) USER MOD Single : A 51 ASN : amide:sc= -0.287 X(o=-0.29,f=-0.63) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.675 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl -141:sc= -1.95 (180deg=-2.47!) USER MOD Single : A 81 MET CE :methyl 156:sc= -0.298 (180deg=-1.25) USER MOD Single : A 84 CYS SG : rot 180:sc= 0 USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.827 -2.915 2.556 1.00 21.22 N ATOM 2 CA MET A 1 2.796 -2.680 1.117 1.00 4.44 C ATOM 3 C MET A 1 3.578 -3.758 0.373 1.00 0.42 C ATOM 4 O MET A 1 4.141 -4.665 0.987 1.00 55.24 O ATOM 5 CB MET A 1 3.372 -1.300 0.793 1.00 40.15 C ATOM 6 CG MET A 1 4.812 -1.120 1.246 1.00 52.04 C ATOM 7 SD MET A 1 4.938 -0.330 2.861 1.00 11.24 S ATOM 8 CE MET A 1 6.626 -0.733 3.305 1.00 51.24 C ATOM 0 H1 MET A 1 1.860 -2.871 2.936 1.00 21.22 H new ATOM 0 H2 MET A 1 3.231 -3.854 2.746 1.00 21.22 H new ATOM 0 H3 MET A 1 3.413 -2.188 3.014 1.00 21.22 H new ATOM 0 HA MET A 1 1.757 -2.719 0.789 1.00 4.44 H new ATOM 0 HB2 MET A 1 3.315 -1.135 -0.283 1.00 40.15 H new ATOM 0 HB3 MET A 1 2.753 -0.537 1.265 1.00 40.15 H new ATOM 0 HG2 MET A 1 5.302 -2.093 1.283 1.00 52.04 H new ATOM 0 HG3 MET A 1 5.348 -0.521 0.510 1.00 52.04 H new ATOM 0 HE1 MET A 1 6.855 -0.312 4.284 1.00 51.24 H new ATOM 0 HE2 MET A 1 6.745 -1.816 3.339 1.00 51.24 H new ATOM 0 HE3 MET A 1 7.307 -0.317 2.562 1.00 51.24 H new ATOM 18 N ASP A 2 3.608 -3.652 -0.951 1.00 25.23 N ATOM 19 CA ASP A 2 4.322 -4.618 -1.778 1.00 51.04 C ATOM 20 C ASP A 2 5.243 -3.911 -2.768 1.00 13.53 C ATOM 21 O ASP A 2 4.922 -3.785 -3.950 1.00 35.44 O ATOM 22 CB ASP A 2 3.331 -5.507 -2.531 1.00 71.21 C ATOM 23 CG ASP A 2 2.131 -4.734 -3.042 1.00 2.42 C ATOM 24 OD1 ASP A 2 2.279 -4.003 -4.044 1.00 74.22 O ATOM 25 OD2 ASP A 2 1.045 -4.859 -2.440 1.00 33.34 O ATOM 0 H ASP A 2 3.147 -2.908 -1.474 1.00 25.23 H new ATOM 0 HA ASP A 2 4.932 -5.240 -1.122 1.00 51.04 H new ATOM 0 HB2 ASP A 2 3.839 -5.981 -3.371 1.00 71.21 H new ATOM 0 HB3 ASP A 2 2.991 -6.306 -1.872 1.00 71.21 H new ATOM 30 N ASP A 3 6.387 -3.449 -2.276 1.00 43.14 N ATOM 31 CA ASP A 3 7.355 -2.753 -3.117 1.00 20.50 C ATOM 32 C ASP A 3 7.901 -3.681 -4.198 1.00 5.01 C ATOM 33 O ASP A 3 8.364 -3.226 -5.244 1.00 44.41 O ATOM 34 CB ASP A 3 8.504 -2.209 -2.266 1.00 75.12 C ATOM 35 CG ASP A 3 9.432 -3.304 -1.779 1.00 2.23 C ATOM 36 OD1 ASP A 3 9.007 -4.103 -0.918 1.00 63.43 O ATOM 37 OD2 ASP A 3 10.584 -3.362 -2.258 1.00 54.52 O ATOM 0 H ASP A 3 6.667 -3.544 -1.300 1.00 43.14 H new ATOM 0 HA ASP A 3 6.846 -1.920 -3.601 1.00 20.50 H new ATOM 0 HB2 ASP A 3 9.074 -1.486 -2.850 1.00 75.12 H new ATOM 0 HB3 ASP A 3 8.096 -1.675 -1.408 1.00 75.12 H new ATOM 42 N ILE A 4 7.845 -4.983 -3.937 1.00 43.42 N ATOM 43 CA ILE A 4 8.335 -5.973 -4.888 1.00 35.43 C ATOM 44 C ILE A 4 7.585 -5.881 -6.213 1.00 21.14 C ATOM 45 O ILE A 4 8.146 -6.150 -7.275 1.00 42.52 O ATOM 46 CB ILE A 4 8.197 -7.403 -4.332 1.00 21.04 C ATOM 47 CG1 ILE A 4 8.667 -8.425 -5.369 1.00 54.33 C ATOM 48 CG2 ILE A 4 6.757 -7.677 -3.925 1.00 0.14 C ATOM 49 CD1 ILE A 4 9.468 -9.563 -4.777 1.00 43.43 C ATOM 0 H ILE A 4 7.466 -5.376 -3.076 1.00 43.42 H new ATOM 0 HA ILE A 4 9.390 -5.756 -5.054 1.00 35.43 H new ATOM 0 HB ILE A 4 8.827 -7.495 -3.448 1.00 21.04 H new ATOM 0 HG12 ILE A 4 7.798 -8.833 -5.885 1.00 54.33 H new ATOM 0 HG13 ILE A 4 9.273 -7.917 -6.119 1.00 54.33 H new ATOM 0 HG21 ILE A 4 6.676 -8.691 -3.534 1.00 0.14 H new ATOM 0 HG22 ILE A 4 6.455 -6.967 -3.156 1.00 0.14 H new ATOM 0 HG23 ILE A 4 6.107 -7.570 -4.793 1.00 0.14 H new ATOM 0 HD11 ILE A 4 9.768 -10.248 -5.570 1.00 43.43 H new ATOM 0 HD12 ILE A 4 10.356 -9.166 -4.286 1.00 43.43 H new ATOM 0 HD13 ILE A 4 8.858 -10.096 -4.048 1.00 43.43 H new ATOM 61 N TYR A 5 6.315 -5.498 -6.142 1.00 22.30 N ATOM 62 CA TYR A 5 5.488 -5.371 -7.336 1.00 12.22 C ATOM 63 C TYR A 5 5.676 -4.003 -7.985 1.00 74.23 C ATOM 64 O TYR A 5 5.618 -3.870 -9.208 1.00 5.31 O ATOM 65 CB TYR A 5 4.014 -5.583 -6.986 1.00 21.44 C ATOM 66 CG TYR A 5 3.696 -6.991 -6.533 1.00 2.41 C ATOM 67 CD1 TYR A 5 4.206 -8.091 -7.211 1.00 30.10 C ATOM 68 CD2 TYR A 5 2.885 -7.220 -5.428 1.00 44.22 C ATOM 69 CE1 TYR A 5 3.918 -9.379 -6.802 1.00 13.34 C ATOM 70 CE2 TYR A 5 2.593 -8.504 -5.011 1.00 1.21 C ATOM 71 CZ TYR A 5 3.111 -9.580 -5.701 1.00 4.12 C ATOM 72 OH TYR A 5 2.821 -10.860 -5.289 1.00 63.51 O ATOM 0 H TYR A 5 5.836 -5.270 -5.271 1.00 22.30 H new ATOM 0 HA TYR A 5 5.800 -6.137 -8.046 1.00 12.22 H new ATOM 0 HB2 TYR A 5 3.732 -4.884 -6.198 1.00 21.44 H new ATOM 0 HB3 TYR A 5 3.404 -5.344 -7.857 1.00 21.44 H new ATOM 0 HD1 TYR A 5 4.839 -7.937 -8.073 1.00 30.10 H new ATOM 0 HD2 TYR A 5 2.476 -6.380 -4.886 1.00 44.22 H new ATOM 0 HE1 TYR A 5 4.322 -10.223 -7.341 1.00 13.34 H new ATOM 0 HE2 TYR A 5 1.962 -8.665 -4.149 1.00 1.21 H new ATOM 0 HH TYR A 5 2.242 -10.826 -4.499 1.00 63.51 H new ATOM 82 N LYS A 6 5.901 -2.988 -7.158 1.00 31.54 N ATOM 83 CA LYS A 6 6.100 -1.630 -7.648 1.00 54.13 C ATOM 84 C LYS A 6 7.391 -1.526 -8.454 1.00 54.21 C ATOM 85 O LYS A 6 7.425 -0.893 -9.509 1.00 63.21 O ATOM 86 CB LYS A 6 6.135 -0.643 -6.479 1.00 30.41 C ATOM 87 CG LYS A 6 5.049 -0.886 -5.445 1.00 22.50 C ATOM 88 CD LYS A 6 3.714 -1.197 -6.101 1.00 22.21 C ATOM 89 CE LYS A 6 2.555 -0.602 -5.316 1.00 25.04 C ATOM 90 NZ LYS A 6 1.356 -1.484 -5.342 1.00 62.42 N ATOM 0 H LYS A 6 5.950 -3.081 -6.143 1.00 31.54 H new ATOM 0 HA LYS A 6 5.264 -1.380 -8.301 1.00 54.13 H new ATOM 0 HB2 LYS A 6 7.108 -0.704 -5.992 1.00 30.41 H new ATOM 0 HB3 LYS A 6 6.035 0.371 -6.867 1.00 30.41 H new ATOM 0 HG2 LYS A 6 5.340 -1.714 -4.799 1.00 22.50 H new ATOM 0 HG3 LYS A 6 4.947 -0.006 -4.810 1.00 22.50 H new ATOM 0 HD2 LYS A 6 3.706 -0.803 -7.117 1.00 22.21 H new ATOM 0 HD3 LYS A 6 3.587 -2.277 -6.176 1.00 22.21 H new ATOM 0 HE2 LYS A 6 2.862 -0.438 -4.283 1.00 25.04 H new ATOM 0 HE3 LYS A 6 2.298 0.373 -5.731 1.00 25.04 H new ATOM 0 HZ1 LYS A 6 0.613 -1.043 -5.920 1.00 62.42 H new ATOM 0 HZ2 LYS A 6 1.612 -2.405 -5.751 1.00 62.42 H new ATOM 0 HZ3 LYS A 6 1.005 -1.621 -4.373 1.00 62.42 H new ATOM 104 N ALA A 7 8.449 -2.152 -7.951 1.00 2.24 N ATOM 105 CA ALA A 7 9.741 -2.132 -8.626 1.00 31.23 C ATOM 106 C ALA A 7 9.685 -2.902 -9.941 1.00 31.23 C ATOM 107 O ALA A 7 10.491 -2.671 -10.841 1.00 42.11 O ATOM 108 CB ALA A 7 10.819 -2.709 -7.720 1.00 13.23 C ATOM 0 H ALA A 7 8.437 -2.680 -7.078 1.00 2.24 H new ATOM 0 HA ALA A 7 9.989 -1.095 -8.852 1.00 31.23 H new ATOM 0 HB1 ALA A 7 11.778 -2.688 -8.237 1.00 13.23 H new ATOM 0 HB2 ALA A 7 10.885 -2.115 -6.809 1.00 13.23 H new ATOM 0 HB3 ALA A 7 10.567 -3.738 -7.465 1.00 13.23 H new ATOM 114 N ALA A 8 8.728 -3.819 -10.044 1.00 2.01 N ATOM 115 CA ALA A 8 8.567 -4.622 -11.249 1.00 73.15 C ATOM 116 C ALA A 8 7.991 -3.790 -12.390 1.00 72.13 C ATOM 117 O ALA A 8 8.531 -3.776 -13.496 1.00 62.34 O ATOM 118 CB ALA A 8 7.676 -5.823 -10.968 1.00 63.31 C ATOM 0 H ALA A 8 8.053 -4.024 -9.307 1.00 2.01 H new ATOM 0 HA ALA A 8 9.552 -4.977 -11.553 1.00 73.15 H new ATOM 0 HB1 ALA A 8 7.564 -6.414 -11.877 1.00 63.31 H new ATOM 0 HB2 ALA A 8 8.128 -6.437 -10.189 1.00 63.31 H new ATOM 0 HB3 ALA A 8 6.696 -5.479 -10.636 1.00 63.31 H new ATOM 124 N VAL A 9 6.890 -3.097 -12.115 1.00 23.45 N ATOM 125 CA VAL A 9 6.241 -2.262 -13.118 1.00 21.21 C ATOM 126 C VAL A 9 7.149 -1.116 -13.550 1.00 32.03 C ATOM 127 O VAL A 9 7.086 -0.658 -14.690 1.00 12.31 O ATOM 128 CB VAL A 9 4.915 -1.682 -12.592 1.00 74.03 C ATOM 129 CG1 VAL A 9 3.841 -2.759 -12.547 1.00 43.22 C ATOM 130 CG2 VAL A 9 5.113 -1.058 -11.219 1.00 45.04 C ATOM 0 H VAL A 9 6.429 -3.098 -11.205 1.00 23.45 H new ATOM 0 HA VAL A 9 6.034 -2.901 -13.977 1.00 21.21 H new ATOM 0 HB VAL A 9 4.584 -0.901 -13.276 1.00 74.03 H new ATOM 0 HG11 VAL A 9 2.911 -2.330 -12.173 1.00 43.22 H new ATOM 0 HG12 VAL A 9 3.680 -3.155 -13.550 1.00 43.22 H new ATOM 0 HG13 VAL A 9 4.161 -3.565 -11.886 1.00 43.22 H new ATOM 0 HG21 VAL A 9 4.166 -0.653 -10.863 1.00 45.04 H new ATOM 0 HG22 VAL A 9 5.468 -1.817 -10.522 1.00 45.04 H new ATOM 0 HG23 VAL A 9 5.848 -0.256 -11.287 1.00 45.04 H new ATOM 140 N GLU A 10 7.993 -0.658 -12.630 1.00 71.24 N ATOM 141 CA GLU A 10 8.914 0.435 -12.917 1.00 12.51 C ATOM 142 C GLU A 10 9.954 0.014 -13.951 1.00 11.11 C ATOM 143 O GLU A 10 10.564 0.855 -14.610 1.00 4.32 O ATOM 144 CB GLU A 10 9.611 0.894 -11.634 1.00 54.33 C ATOM 145 CG GLU A 10 8.829 1.942 -10.859 1.00 25.34 C ATOM 146 CD GLU A 10 9.726 2.848 -10.037 1.00 53.12 C ATOM 147 OE1 GLU A 10 10.230 3.846 -10.593 1.00 24.02 O ATOM 148 OE2 GLU A 10 9.922 2.559 -8.838 1.00 71.01 O ATOM 0 H GLU A 10 8.058 -1.027 -11.681 1.00 71.24 H new ATOM 0 HA GLU A 10 8.337 1.264 -13.325 1.00 12.51 H new ATOM 0 HB2 GLU A 10 9.779 0.029 -10.992 1.00 54.33 H new ATOM 0 HB3 GLU A 10 10.591 1.298 -11.887 1.00 54.33 H new ATOM 0 HG2 GLU A 10 8.249 2.546 -11.556 1.00 25.34 H new ATOM 0 HG3 GLU A 10 8.118 1.445 -10.199 1.00 25.34 H new ATOM 155 N GLN A 11 10.150 -1.294 -14.086 1.00 15.42 N ATOM 156 CA GLN A 11 11.117 -1.827 -15.038 1.00 54.31 C ATOM 157 C GLN A 11 10.466 -2.070 -16.396 1.00 21.11 C ATOM 158 O GLN A 11 11.145 -2.385 -17.374 1.00 43.11 O ATOM 159 CB GLN A 11 11.722 -3.128 -14.509 1.00 15.05 C ATOM 160 CG GLN A 11 12.323 -2.998 -13.118 1.00 51.24 C ATOM 161 CD GLN A 11 13.796 -3.355 -13.084 1.00 33.41 C ATOM 162 OE1 GLN A 11 14.660 -2.481 -13.143 1.00 3.42 O ATOM 163 NE2 GLN A 11 14.089 -4.647 -12.988 1.00 5.23 N ATOM 0 H GLN A 11 9.652 -2.004 -13.548 1.00 15.42 H new ATOM 0 HA GLN A 11 11.911 -1.090 -15.162 1.00 54.31 H new ATOM 0 HB2 GLN A 11 10.950 -3.897 -14.492 1.00 15.05 H new ATOM 0 HB3 GLN A 11 12.494 -3.467 -15.199 1.00 15.05 H new ATOM 0 HG2 GLN A 11 12.192 -1.975 -12.764 1.00 51.24 H new ATOM 0 HG3 GLN A 11 11.780 -3.645 -12.430 1.00 51.24 H new ATOM 0 HE21 GLN A 11 13.340 -5.338 -12.942 1.00 5.23 H new ATOM 0 HE22 GLN A 11 15.063 -4.948 -12.961 1.00 5.23 H new ATOM 172 N LEU A 12 9.147 -1.923 -16.449 1.00 51.11 N ATOM 173 CA LEU A 12 8.404 -2.127 -17.688 1.00 34.23 C ATOM 174 C LEU A 12 8.730 -1.038 -18.705 1.00 24.43 C ATOM 175 O LEU A 12 9.424 -0.070 -18.393 1.00 41.31 O ATOM 176 CB LEU A 12 6.900 -2.144 -17.406 1.00 41.44 C ATOM 177 CG LEU A 12 6.379 -3.341 -16.611 1.00 61.33 C ATOM 178 CD1 LEU A 12 4.902 -3.169 -16.294 1.00 33.41 C ATOM 179 CD2 LEU A 12 6.615 -4.634 -17.378 1.00 72.15 C ATOM 0 H LEU A 12 8.570 -1.663 -15.649 1.00 51.11 H new ATOM 0 HA LEU A 12 8.701 -3.089 -18.107 1.00 34.23 H new ATOM 0 HB2 LEU A 12 6.642 -1.234 -16.865 1.00 41.44 H new ATOM 0 HB3 LEU A 12 6.372 -2.109 -18.359 1.00 41.44 H new ATOM 0 HG LEU A 12 6.927 -3.395 -15.670 1.00 61.33 H new ATOM 0 HD11 LEU A 12 4.549 -4.031 -15.728 1.00 33.41 H new ATOM 0 HD12 LEU A 12 4.760 -2.264 -15.704 1.00 33.41 H new ATOM 0 HD13 LEU A 12 4.337 -3.089 -17.223 1.00 33.41 H new ATOM 0 HD21 LEU A 12 6.238 -5.476 -16.797 1.00 72.15 H new ATOM 0 HD22 LEU A 12 6.093 -4.590 -18.334 1.00 72.15 H new ATOM 0 HD23 LEU A 12 7.683 -4.763 -17.553 1.00 72.15 H new ATOM 191 N THR A 13 8.224 -1.202 -19.923 1.00 61.51 N ATOM 192 CA THR A 13 8.461 -0.234 -20.986 1.00 11.21 C ATOM 193 C THR A 13 7.237 0.647 -21.210 1.00 31.21 C ATOM 194 O THR A 13 6.161 0.376 -20.678 1.00 1.04 O ATOM 195 CB THR A 13 8.827 -0.931 -22.310 1.00 0.21 C ATOM 196 OG1 THR A 13 9.182 0.045 -23.296 1.00 0.45 O ATOM 197 CG2 THR A 13 7.666 -1.772 -22.817 1.00 70.45 C ATOM 0 H THR A 13 7.647 -1.997 -20.198 1.00 61.51 H new ATOM 0 HA THR A 13 9.299 0.386 -20.667 1.00 11.21 H new ATOM 0 HB THR A 13 9.678 -1.587 -22.127 1.00 0.21 H new ATOM 0 HG1 THR A 13 8.434 0.170 -23.917 1.00 0.45 H new ATOM 0 HG21 THR A 13 7.948 -2.255 -23.753 1.00 70.45 H new ATOM 0 HG22 THR A 13 7.417 -2.533 -22.077 1.00 70.45 H new ATOM 0 HG23 THR A 13 6.800 -1.132 -22.985 1.00 70.45 H new ATOM 205 N GLU A 14 7.409 1.701 -22.001 1.00 72.15 N ATOM 206 CA GLU A 14 6.316 2.621 -22.295 1.00 43.11 C ATOM 207 C GLU A 14 5.110 1.872 -22.854 1.00 52.42 C ATOM 208 O GLU A 14 3.965 2.263 -22.628 1.00 42.42 O ATOM 209 CB GLU A 14 6.773 3.690 -23.290 1.00 65.43 C ATOM 210 CG GLU A 14 8.019 4.440 -22.849 1.00 32.23 C ATOM 211 CD GLU A 14 8.113 5.824 -23.460 1.00 44.20 C ATOM 212 OE1 GLU A 14 7.283 6.687 -23.107 1.00 2.42 O ATOM 213 OE2 GLU A 14 9.019 6.044 -24.292 1.00 14.00 O ATOM 0 H GLU A 14 8.294 1.939 -22.449 1.00 72.15 H new ATOM 0 HA GLU A 14 6.022 3.105 -21.364 1.00 43.11 H new ATOM 0 HB2 GLU A 14 6.965 3.219 -24.254 1.00 65.43 H new ATOM 0 HB3 GLU A 14 5.963 4.404 -23.440 1.00 65.43 H new ATOM 0 HG2 GLU A 14 8.022 4.526 -21.762 1.00 32.23 H new ATOM 0 HG3 GLU A 14 8.902 3.864 -23.125 1.00 32.23 H new ATOM 220 N GLU A 15 5.376 0.795 -23.585 1.00 63.35 N ATOM 221 CA GLU A 15 4.313 -0.008 -24.178 1.00 54.41 C ATOM 222 C GLU A 15 3.430 -0.625 -23.097 1.00 51.30 C ATOM 223 O GLU A 15 2.206 -0.649 -23.221 1.00 12.54 O ATOM 224 CB GLU A 15 4.905 -1.110 -25.059 1.00 1.32 C ATOM 225 CG GLU A 15 5.425 -0.607 -26.395 1.00 63.31 C ATOM 226 CD GLU A 15 6.836 -0.059 -26.303 1.00 40.01 C ATOM 227 OE1 GLU A 15 7.427 -0.120 -25.205 1.00 33.52 O ATOM 228 OE2 GLU A 15 7.349 0.432 -27.331 1.00 23.43 O ATOM 0 H GLU A 15 6.319 0.458 -23.781 1.00 63.35 H new ATOM 0 HA GLU A 15 3.699 0.648 -24.795 1.00 54.41 H new ATOM 0 HB2 GLU A 15 5.719 -1.595 -24.521 1.00 1.32 H new ATOM 0 HB3 GLU A 15 4.144 -1.869 -25.237 1.00 1.32 H new ATOM 0 HG2 GLU A 15 5.402 -1.421 -27.119 1.00 63.31 H new ATOM 0 HG3 GLU A 15 4.761 0.172 -26.769 1.00 63.31 H new ATOM 235 N GLN A 16 4.061 -1.123 -22.039 1.00 24.01 N ATOM 236 CA GLN A 16 3.334 -1.741 -20.937 1.00 73.40 C ATOM 237 C GLN A 16 2.394 -0.739 -20.274 1.00 64.14 C ATOM 238 O GLN A 16 1.180 -0.941 -20.236 1.00 44.34 O ATOM 239 CB GLN A 16 4.312 -2.302 -19.903 1.00 72.22 C ATOM 240 CG GLN A 16 5.225 -3.385 -20.455 1.00 4.13 C ATOM 241 CD GLN A 16 4.623 -4.771 -20.339 1.00 25.44 C ATOM 242 OE1 GLN A 16 3.448 -4.925 -20.005 1.00 1.50 O ATOM 243 NE2 GLN A 16 5.428 -5.791 -20.614 1.00 70.32 N ATOM 0 H GLN A 16 5.074 -1.111 -21.922 1.00 24.01 H new ATOM 0 HA GLN A 16 2.737 -2.558 -21.343 1.00 73.40 H new ATOM 0 HB2 GLN A 16 4.922 -1.488 -19.513 1.00 72.22 H new ATOM 0 HB3 GLN A 16 3.747 -2.707 -19.063 1.00 72.22 H new ATOM 0 HG2 GLN A 16 5.441 -3.174 -21.502 1.00 4.13 H new ATOM 0 HG3 GLN A 16 6.175 -3.360 -19.922 1.00 4.13 H new ATOM 0 HE21 GLN A 16 6.395 -5.618 -20.887 1.00 70.32 H new ATOM 0 HE22 GLN A 16 5.079 -6.747 -20.552 1.00 70.32 H new ATOM 252 N LYS A 17 2.964 0.342 -19.753 1.00 12.15 N ATOM 253 CA LYS A 17 2.178 1.378 -19.092 1.00 23.54 C ATOM 254 C LYS A 17 1.030 1.841 -19.982 1.00 50.12 C ATOM 255 O LYS A 17 -0.060 2.142 -19.498 1.00 75.55 O ATOM 256 CB LYS A 17 3.069 2.568 -18.728 1.00 54.13 C ATOM 257 CG LYS A 17 4.274 2.191 -17.884 1.00 53.11 C ATOM 258 CD LYS A 17 3.856 1.556 -16.568 1.00 61.14 C ATOM 259 CE LYS A 17 3.139 2.553 -15.671 1.00 22.11 C ATOM 260 NZ LYS A 17 3.984 3.743 -15.378 1.00 45.41 N ATOM 0 H LYS A 17 3.967 0.524 -19.775 1.00 12.15 H new ATOM 0 HA LYS A 17 1.758 0.954 -18.180 1.00 23.54 H new ATOM 0 HB2 LYS A 17 3.414 3.047 -19.645 1.00 54.13 H new ATOM 0 HB3 LYS A 17 2.474 3.305 -18.188 1.00 54.13 H new ATOM 0 HG2 LYS A 17 4.906 1.498 -18.439 1.00 53.11 H new ATOM 0 HG3 LYS A 17 4.873 3.080 -17.686 1.00 53.11 H new ATOM 0 HD2 LYS A 17 3.202 0.706 -16.764 1.00 61.14 H new ATOM 0 HD3 LYS A 17 4.736 1.169 -16.054 1.00 61.14 H new ATOM 0 HE2 LYS A 17 2.214 2.874 -16.151 1.00 22.11 H new ATOM 0 HE3 LYS A 17 2.861 2.066 -14.736 1.00 22.11 H new ATOM 0 HZ1 LYS A 17 3.607 4.240 -14.546 1.00 45.41 H new ATOM 0 HZ2 LYS A 17 4.959 3.437 -15.186 1.00 45.41 H new ATOM 0 HZ3 LYS A 17 3.977 4.384 -16.197 1.00 45.41 H new ATOM 274 N ASN A 18 1.283 1.895 -21.286 1.00 12.11 N ATOM 275 CA ASN A 18 0.269 2.321 -22.244 1.00 42.10 C ATOM 276 C ASN A 18 -0.872 1.311 -22.314 1.00 62.31 C ATOM 277 O ASN A 18 -2.036 1.684 -22.455 1.00 62.23 O ATOM 278 CB ASN A 18 0.891 2.501 -23.630 1.00 45.41 C ATOM 279 CG ASN A 18 -0.113 2.292 -24.747 1.00 13.54 C ATOM 280 OD1 ASN A 18 -0.965 3.145 -24.998 1.00 32.04 O ATOM 281 ND2 ASN A 18 -0.018 1.154 -25.423 1.00 23.41 N ATOM 0 H ASN A 18 2.181 1.649 -21.703 1.00 12.11 H new ATOM 0 HA ASN A 18 -0.135 3.276 -21.907 1.00 42.10 H new ATOM 0 HB2 ASN A 18 1.314 3.503 -23.708 1.00 45.41 H new ATOM 0 HB3 ASN A 18 1.715 1.797 -23.750 1.00 45.41 H new ATOM 0 HD21 ASN A 18 -0.667 0.958 -26.185 1.00 23.41 H new ATOM 0 HD22 ASN A 18 0.704 0.475 -25.180 1.00 23.41 H new ATOM 288 N GLU A 19 -0.528 0.030 -22.214 1.00 14.43 N ATOM 289 CA GLU A 19 -1.524 -1.033 -22.266 1.00 74.31 C ATOM 290 C GLU A 19 -2.448 -0.974 -21.053 1.00 55.31 C ATOM 291 O GLU A 19 -3.671 -1.036 -21.186 1.00 62.22 O ATOM 292 CB GLU A 19 -0.840 -2.400 -22.333 1.00 31.31 C ATOM 293 CG GLU A 19 -0.489 -2.837 -23.745 1.00 41.33 C ATOM 294 CD GLU A 19 -1.716 -3.096 -24.598 1.00 43.50 C ATOM 295 OE1 GLU A 19 -2.508 -3.992 -24.240 1.00 21.22 O ATOM 296 OE2 GLU A 19 -1.884 -2.402 -25.623 1.00 23.41 O ATOM 0 H GLU A 19 0.432 -0.296 -22.097 1.00 14.43 H new ATOM 0 HA GLU A 19 -2.124 -0.890 -23.165 1.00 74.31 H new ATOM 0 HB2 GLU A 19 0.070 -2.371 -21.734 1.00 31.31 H new ATOM 0 HB3 GLU A 19 -1.494 -3.147 -21.883 1.00 31.31 H new ATOM 0 HG2 GLU A 19 0.122 -2.068 -24.218 1.00 41.33 H new ATOM 0 HG3 GLU A 19 0.116 -3.743 -23.701 1.00 41.33 H new ATOM 303 N PHE A 20 -1.855 -0.853 -19.870 1.00 52.01 N ATOM 304 CA PHE A 20 -2.624 -0.786 -18.633 1.00 22.33 C ATOM 305 C PHE A 20 -3.441 0.501 -18.569 1.00 32.43 C ATOM 306 O PHE A 20 -4.596 0.496 -18.143 1.00 32.15 O ATOM 307 CB PHE A 20 -1.691 -0.872 -17.423 1.00 0.02 C ATOM 308 CG PHE A 20 -0.847 -2.114 -17.403 1.00 60.34 C ATOM 309 CD1 PHE A 20 -1.326 -3.302 -17.933 1.00 40.41 C ATOM 310 CD2 PHE A 20 0.425 -2.095 -16.855 1.00 2.22 C ATOM 311 CE1 PHE A 20 -0.552 -4.447 -17.917 1.00 42.51 C ATOM 312 CE2 PHE A 20 1.204 -3.236 -16.836 1.00 61.44 C ATOM 313 CZ PHE A 20 0.715 -4.414 -17.367 1.00 54.11 C ATOM 0 H PHE A 20 -0.844 -0.799 -19.742 1.00 52.01 H new ATOM 0 HA PHE A 20 -3.311 -1.632 -18.615 1.00 22.33 H new ATOM 0 HB2 PHE A 20 -1.038 0.001 -17.415 1.00 0.02 H new ATOM 0 HB3 PHE A 20 -2.287 -0.833 -16.511 1.00 0.02 H new ATOM 0 HD1 PHE A 20 -2.316 -3.333 -18.364 1.00 40.41 H new ATOM 0 HD2 PHE A 20 0.812 -1.177 -16.438 1.00 2.22 H new ATOM 0 HE1 PHE A 20 -0.937 -5.366 -18.334 1.00 42.51 H new ATOM 0 HE2 PHE A 20 2.194 -3.207 -16.406 1.00 61.44 H new ATOM 0 HZ PHE A 20 1.322 -5.307 -17.352 1.00 54.11 H new ATOM 323 N LYS A 21 -2.833 1.602 -18.995 1.00 10.30 N ATOM 324 CA LYS A 21 -3.502 2.898 -18.988 1.00 32.22 C ATOM 325 C LYS A 21 -4.619 2.939 -20.026 1.00 33.14 C ATOM 326 O LYS A 21 -5.720 3.414 -19.748 1.00 31.31 O ATOM 327 CB LYS A 21 -2.495 4.017 -19.262 1.00 60.35 C ATOM 328 CG LYS A 21 -3.093 5.410 -19.168 1.00 62.22 C ATOM 329 CD LYS A 21 -2.259 6.427 -19.930 1.00 34.13 C ATOM 330 CE LYS A 21 -3.016 7.731 -20.128 1.00 53.20 C ATOM 331 NZ LYS A 21 -3.887 7.689 -21.336 1.00 3.34 N ATOM 0 H LYS A 21 -1.877 1.623 -19.350 1.00 10.30 H new ATOM 0 HA LYS A 21 -3.941 3.047 -18.001 1.00 32.22 H new ATOM 0 HB2 LYS A 21 -1.672 3.935 -18.552 1.00 60.35 H new ATOM 0 HB3 LYS A 21 -2.073 3.878 -20.257 1.00 60.35 H new ATOM 0 HG2 LYS A 21 -4.108 5.399 -19.566 1.00 62.22 H new ATOM 0 HG3 LYS A 21 -3.164 5.707 -18.122 1.00 62.22 H new ATOM 0 HD2 LYS A 21 -1.334 6.621 -19.387 1.00 34.13 H new ATOM 0 HD3 LYS A 21 -1.979 6.016 -20.900 1.00 34.13 H new ATOM 0 HE2 LYS A 21 -3.626 7.934 -19.248 1.00 53.20 H new ATOM 0 HE3 LYS A 21 -2.306 8.553 -20.221 1.00 53.20 H new ATOM 0 HZ1 LYS A 21 -4.386 8.596 -21.436 1.00 3.34 H new ATOM 0 HZ2 LYS A 21 -3.303 7.520 -22.180 1.00 3.34 H new ATOM 0 HZ3 LYS A 21 -4.581 6.921 -21.237 1.00 3.34 H new ATOM 345 N ALA A 22 -4.329 2.437 -21.221 1.00 64.04 N ATOM 346 CA ALA A 22 -5.310 2.413 -22.299 1.00 42.40 C ATOM 347 C ALA A 22 -6.431 1.424 -21.999 1.00 63.13 C ATOM 348 O ALA A 22 -7.597 1.684 -22.295 1.00 3.45 O ATOM 349 CB ALA A 22 -4.636 2.067 -23.619 1.00 12.14 C ATOM 0 H ALA A 22 -3.422 2.041 -21.468 1.00 64.04 H new ATOM 0 HA ALA A 22 -5.750 3.407 -22.379 1.00 42.40 H new ATOM 0 HB1 ALA A 22 -5.381 2.053 -24.415 1.00 12.14 H new ATOM 0 HB2 ALA A 22 -3.876 2.815 -23.846 1.00 12.14 H new ATOM 0 HB3 ALA A 22 -4.168 1.086 -23.542 1.00 12.14 H new ATOM 355 N ALA A 23 -6.069 0.288 -21.412 1.00 75.20 N ATOM 356 CA ALA A 23 -7.045 -0.740 -21.071 1.00 53.04 C ATOM 357 C ALA A 23 -7.875 -0.329 -19.860 1.00 30.33 C ATOM 358 O ALA A 23 -9.081 -0.571 -19.810 1.00 31.33 O ATOM 359 CB ALA A 23 -6.346 -2.066 -20.810 1.00 10.31 C ATOM 0 H ALA A 23 -5.107 0.056 -21.163 1.00 75.20 H new ATOM 0 HA ALA A 23 -7.721 -0.859 -21.918 1.00 53.04 H new ATOM 0 HB1 ALA A 23 -7.087 -2.824 -20.557 1.00 10.31 H new ATOM 0 HB2 ALA A 23 -5.803 -2.373 -21.704 1.00 10.31 H new ATOM 0 HB3 ALA A 23 -5.646 -1.952 -19.982 1.00 10.31 H new ATOM 365 N PHE A 24 -7.221 0.293 -18.884 1.00 73.31 N ATOM 366 CA PHE A 24 -7.899 0.736 -17.671 1.00 62.41 C ATOM 367 C PHE A 24 -9.109 1.601 -18.009 1.00 72.04 C ATOM 368 O PHE A 24 -10.081 1.650 -17.255 1.00 1.20 O ATOM 369 CB PHE A 24 -6.933 1.517 -16.778 1.00 64.03 C ATOM 370 CG PHE A 24 -7.574 2.061 -15.534 1.00 5.13 C ATOM 371 CD1 PHE A 24 -7.605 1.310 -14.370 1.00 4.55 C ATOM 372 CD2 PHE A 24 -8.145 3.323 -15.528 1.00 54.21 C ATOM 373 CE1 PHE A 24 -8.193 1.808 -13.222 1.00 53.43 C ATOM 374 CE2 PHE A 24 -8.735 3.826 -14.384 1.00 11.51 C ATOM 375 CZ PHE A 24 -8.760 3.068 -13.230 1.00 32.30 C ATOM 0 H PHE A 24 -6.223 0.502 -18.909 1.00 73.31 H new ATOM 0 HA PHE A 24 -8.245 -0.148 -17.135 1.00 62.41 H new ATOM 0 HB2 PHE A 24 -6.105 0.867 -16.496 1.00 64.03 H new ATOM 0 HB3 PHE A 24 -6.509 2.343 -17.350 1.00 64.03 H new ATOM 0 HD1 PHE A 24 -7.165 0.324 -14.359 1.00 4.55 H new ATOM 0 HD2 PHE A 24 -8.129 3.921 -16.427 1.00 54.21 H new ATOM 0 HE1 PHE A 24 -8.209 1.213 -12.321 1.00 53.43 H new ATOM 0 HE2 PHE A 24 -9.176 4.812 -14.393 1.00 11.51 H new ATOM 0 HZ PHE A 24 -9.222 3.459 -12.336 1.00 32.30 H new ATOM 385 N ASP A 25 -9.042 2.282 -19.148 1.00 72.00 N ATOM 386 CA ASP A 25 -10.132 3.146 -19.588 1.00 21.44 C ATOM 387 C ASP A 25 -11.378 2.327 -19.910 1.00 61.24 C ATOM 388 O ASP A 25 -12.496 2.724 -19.581 1.00 40.11 O ATOM 389 CB ASP A 25 -9.707 3.955 -20.814 1.00 3.03 C ATOM 390 CG ASP A 25 -10.827 4.825 -21.350 1.00 64.10 C ATOM 391 OD1 ASP A 25 -11.506 5.486 -20.537 1.00 25.43 O ATOM 392 OD2 ASP A 25 -11.025 4.844 -22.583 1.00 43.41 O ATOM 0 H ASP A 25 -8.245 2.253 -19.783 1.00 72.00 H new ATOM 0 HA ASP A 25 -10.370 3.832 -18.775 1.00 21.44 H new ATOM 0 HB2 ASP A 25 -8.855 4.584 -20.554 1.00 3.03 H new ATOM 0 HB3 ASP A 25 -9.373 3.274 -21.597 1.00 3.03 H new ATOM 397 N ILE A 26 -11.177 1.183 -20.557 1.00 12.43 N ATOM 398 CA ILE A 26 -12.284 0.309 -20.924 1.00 14.32 C ATOM 399 C ILE A 26 -12.923 -0.317 -19.689 1.00 13.32 C ATOM 400 O ILE A 26 -14.104 -0.665 -19.697 1.00 31.43 O ATOM 401 CB ILE A 26 -11.825 -0.812 -21.875 1.00 12.24 C ATOM 402 CG1 ILE A 26 -11.374 -0.223 -23.213 1.00 10.33 C ATOM 403 CG2 ILE A 26 -12.945 -1.820 -22.084 1.00 70.13 C ATOM 404 CD1 ILE A 26 -9.880 -0.300 -23.434 1.00 5.34 C ATOM 0 H ILE A 26 -10.258 0.841 -20.837 1.00 12.43 H new ATOM 0 HA ILE A 26 -13.020 0.930 -21.436 1.00 14.32 H new ATOM 0 HB ILE A 26 -10.978 -1.328 -21.423 1.00 12.24 H new ATOM 0 HG12 ILE A 26 -11.880 -0.750 -24.022 1.00 10.33 H new ATOM 0 HG13 ILE A 26 -11.688 0.820 -23.266 1.00 10.33 H new ATOM 0 HG21 ILE A 26 -12.606 -2.606 -22.758 1.00 70.13 H new ATOM 0 HG22 ILE A 26 -13.223 -2.259 -21.126 1.00 70.13 H new ATOM 0 HG23 ILE A 26 -13.810 -1.318 -22.518 1.00 70.13 H new ATOM 0 HD11 ILE A 26 -9.632 0.136 -24.402 1.00 5.34 H new ATOM 0 HD12 ILE A 26 -9.367 0.251 -22.646 1.00 5.34 H new ATOM 0 HD13 ILE A 26 -9.562 -1.343 -23.414 1.00 5.34 H new ATOM 416 N PHE A 27 -12.136 -0.455 -18.628 1.00 4.25 N ATOM 417 CA PHE A 27 -12.624 -1.038 -17.383 1.00 73.05 C ATOM 418 C PHE A 27 -13.476 -0.035 -16.611 1.00 34.53 C ATOM 419 O PHE A 27 -14.540 -0.376 -16.093 1.00 73.35 O ATOM 420 CB PHE A 27 -11.451 -1.502 -16.518 1.00 13.15 C ATOM 421 CG PHE A 27 -10.942 -2.868 -16.880 1.00 2.50 C ATOM 422 CD1 PHE A 27 -10.350 -3.096 -18.112 1.00 34.41 C ATOM 423 CD2 PHE A 27 -11.055 -3.923 -15.989 1.00 2.41 C ATOM 424 CE1 PHE A 27 -9.880 -4.352 -18.448 1.00 51.25 C ATOM 425 CE2 PHE A 27 -10.586 -5.180 -16.320 1.00 11.12 C ATOM 426 CZ PHE A 27 -9.999 -5.395 -17.551 1.00 72.15 C ATOM 0 H PHE A 27 -11.157 -0.171 -18.605 1.00 4.25 H new ATOM 0 HA PHE A 27 -13.244 -1.899 -17.632 1.00 73.05 H new ATOM 0 HB2 PHE A 27 -10.636 -0.784 -16.609 1.00 13.15 H new ATOM 0 HB3 PHE A 27 -11.759 -1.503 -15.472 1.00 13.15 H new ATOM 0 HD1 PHE A 27 -10.255 -2.284 -18.817 1.00 34.41 H new ATOM 0 HD2 PHE A 27 -11.515 -3.761 -15.025 1.00 2.41 H new ATOM 0 HE1 PHE A 27 -9.420 -4.517 -19.411 1.00 51.25 H new ATOM 0 HE2 PHE A 27 -10.679 -5.994 -15.616 1.00 11.12 H new ATOM 0 HZ PHE A 27 -9.634 -6.377 -17.812 1.00 72.15 H new ATOM 436 N VAL A 28 -13.000 1.203 -16.536 1.00 52.41 N ATOM 437 CA VAL A 28 -13.717 2.257 -15.827 1.00 73.44 C ATOM 438 C VAL A 28 -14.760 2.912 -16.726 1.00 43.31 C ATOM 439 O VAL A 28 -15.390 3.900 -16.346 1.00 51.12 O ATOM 440 CB VAL A 28 -12.753 3.338 -15.304 1.00 73.03 C ATOM 441 CG1 VAL A 28 -11.735 2.730 -14.352 1.00 11.23 C ATOM 442 CG2 VAL A 28 -12.060 4.038 -16.463 1.00 2.50 C ATOM 0 H VAL A 28 -12.120 1.502 -16.958 1.00 52.41 H new ATOM 0 HA VAL A 28 -14.216 1.786 -14.980 1.00 73.44 H new ATOM 0 HB VAL A 28 -13.331 4.081 -14.754 1.00 73.03 H new ATOM 0 HG11 VAL A 28 -11.062 3.509 -13.993 1.00 11.23 H new ATOM 0 HG12 VAL A 28 -12.253 2.279 -13.506 1.00 11.23 H new ATOM 0 HG13 VAL A 28 -11.159 1.966 -14.874 1.00 11.23 H new ATOM 0 HG21 VAL A 28 -11.382 4.799 -16.076 1.00 2.50 H new ATOM 0 HG22 VAL A 28 -11.494 3.309 -17.042 1.00 2.50 H new ATOM 0 HG23 VAL A 28 -12.807 4.509 -17.103 1.00 2.50 H new ATOM 452 N LEU A 29 -14.937 2.357 -17.920 1.00 32.34 N ATOM 453 CA LEU A 29 -15.905 2.887 -18.874 1.00 63.11 C ATOM 454 C LEU A 29 -17.275 3.055 -18.225 1.00 24.43 C ATOM 455 O LEU A 29 -18.050 3.930 -18.605 1.00 54.24 O ATOM 456 CB LEU A 29 -16.013 1.962 -20.088 1.00 3.12 C ATOM 457 CG LEU A 29 -15.247 2.401 -21.336 1.00 65.22 C ATOM 458 CD1 LEU A 29 -15.388 1.365 -22.441 1.00 20.03 C ATOM 459 CD2 LEU A 29 -15.736 3.761 -21.812 1.00 71.20 C ATOM 0 H LEU A 29 -14.423 1.540 -18.251 1.00 32.34 H new ATOM 0 HA LEU A 29 -15.556 3.867 -19.201 1.00 63.11 H new ATOM 0 HB2 LEU A 29 -15.659 0.972 -19.798 1.00 3.12 H new ATOM 0 HB3 LEU A 29 -17.066 1.860 -20.350 1.00 3.12 H new ATOM 0 HG LEU A 29 -14.191 2.487 -21.079 1.00 65.22 H new ATOM 0 HD11 LEU A 29 -14.836 1.695 -23.321 1.00 20.03 H new ATOM 0 HD12 LEU A 29 -14.988 0.411 -22.098 1.00 20.03 H new ATOM 0 HD13 LEU A 29 -16.441 1.246 -22.696 1.00 20.03 H new ATOM 0 HD21 LEU A 29 -15.179 4.057 -22.701 1.00 71.20 H new ATOM 0 HD22 LEU A 29 -16.798 3.703 -22.051 1.00 71.20 H new ATOM 0 HD23 LEU A 29 -15.582 4.499 -21.025 1.00 71.20 H new ATOM 471 N GLY A 30 -17.565 2.210 -17.240 1.00 24.42 N ATOM 472 CA GLY A 30 -18.840 2.282 -16.551 1.00 51.35 C ATOM 473 C GLY A 30 -18.798 3.203 -15.348 1.00 41.21 C ATOM 474 O GLY A 30 -19.827 3.726 -14.922 1.00 31.01 O ATOM 0 H GLY A 30 -16.939 1.477 -16.907 1.00 24.42 H new ATOM 0 HA2 GLY A 30 -19.605 2.630 -17.245 1.00 51.35 H new ATOM 0 HA3 GLY A 30 -19.133 1.282 -16.229 1.00 51.35 H new ATOM 478 N ALA A 31 -17.604 3.401 -14.798 1.00 34.11 N ATOM 479 CA ALA A 31 -17.432 4.265 -13.637 1.00 33.13 C ATOM 480 C ALA A 31 -17.575 5.734 -14.019 1.00 41.15 C ATOM 481 O ALA A 31 -17.484 6.090 -15.194 1.00 35.11 O ATOM 482 CB ALA A 31 -16.078 4.015 -12.989 1.00 52.22 C ATOM 0 H ALA A 31 -16.742 2.975 -15.138 1.00 34.11 H new ATOM 0 HA ALA A 31 -18.216 4.026 -12.918 1.00 33.13 H new ATOM 0 HB1 ALA A 31 -15.963 4.667 -12.123 1.00 52.22 H new ATOM 0 HB2 ALA A 31 -16.014 2.974 -12.671 1.00 52.22 H new ATOM 0 HB3 ALA A 31 -15.286 4.224 -13.708 1.00 52.22 H new ATOM 488 N GLU A 32 -17.799 6.582 -13.021 1.00 1.24 N ATOM 489 CA GLU A 32 -17.955 8.013 -13.255 1.00 35.13 C ATOM 490 C GLU A 32 -16.720 8.779 -12.789 1.00 73.32 C ATOM 491 O GLU A 32 -16.407 9.849 -13.311 1.00 62.45 O ATOM 492 CB GLU A 32 -19.197 8.538 -12.531 1.00 73.20 C ATOM 493 CG GLU A 32 -19.035 8.616 -11.022 1.00 42.43 C ATOM 494 CD GLU A 32 -20.363 8.610 -10.291 1.00 54.34 C ATOM 495 OE1 GLU A 32 -20.854 7.511 -9.960 1.00 22.10 O ATOM 496 OE2 GLU A 32 -20.912 9.706 -10.051 1.00 13.03 O ATOM 0 H GLU A 32 -17.877 6.303 -12.043 1.00 1.24 H new ATOM 0 HA GLU A 32 -18.075 8.169 -14.327 1.00 35.13 H new ATOM 0 HB2 GLU A 32 -19.438 9.530 -12.914 1.00 73.20 H new ATOM 0 HB3 GLU A 32 -20.043 7.892 -12.764 1.00 73.20 H new ATOM 0 HG2 GLU A 32 -18.433 7.774 -10.681 1.00 42.43 H new ATOM 0 HG3 GLU A 32 -18.488 9.523 -10.766 1.00 42.43 H new ATOM 503 N ASP A 33 -16.024 8.223 -11.804 1.00 0.34 N ATOM 504 CA ASP A 33 -14.823 8.853 -11.267 1.00 62.42 C ATOM 505 C ASP A 33 -13.572 8.301 -11.944 1.00 42.11 C ATOM 506 O ASP A 33 -12.569 9.000 -12.081 1.00 25.30 O ATOM 507 CB ASP A 33 -14.738 8.634 -9.756 1.00 13.12 C ATOM 508 CG ASP A 33 -13.923 9.706 -9.060 1.00 41.55 C ATOM 509 OD1 ASP A 33 -13.465 10.642 -9.748 1.00 43.34 O ATOM 510 OD2 ASP A 33 -13.742 9.609 -7.828 1.00 51.54 O ATOM 0 H ASP A 33 -16.270 7.338 -11.361 1.00 0.34 H new ATOM 0 HA ASP A 33 -14.883 9.923 -11.468 1.00 62.42 H new ATOM 0 HB2 ASP A 33 -15.744 8.618 -9.337 1.00 13.12 H new ATOM 0 HB3 ASP A 33 -14.294 7.658 -9.558 1.00 13.12 H new ATOM 515 N GLY A 34 -13.639 7.042 -12.365 1.00 72.42 N ATOM 516 CA GLY A 34 -12.505 6.417 -13.021 1.00 54.35 C ATOM 517 C GLY A 34 -11.888 5.313 -12.186 1.00 41.33 C ATOM 518 O GLY A 34 -10.672 5.278 -11.994 1.00 21.51 O ATOM 0 H GLY A 34 -14.459 6.443 -12.264 1.00 72.42 H new ATOM 0 HA2 GLY A 34 -12.824 6.008 -13.980 1.00 54.35 H new ATOM 0 HA3 GLY A 34 -11.749 7.174 -13.233 1.00 54.35 H new ATOM 522 N CYS A 35 -12.726 4.412 -11.688 1.00 32.42 N ATOM 523 CA CYS A 35 -12.256 3.302 -10.866 1.00 3.21 C ATOM 524 C CYS A 35 -13.090 2.050 -11.114 1.00 64.55 C ATOM 525 O CYS A 35 -14.073 2.084 -11.855 1.00 20.52 O ATOM 526 CB CYS A 35 -12.309 3.679 -9.385 1.00 3.23 C ATOM 527 SG CYS A 35 -11.295 5.112 -8.951 1.00 51.41 S ATOM 0 H CYS A 35 -13.735 4.428 -11.839 1.00 32.42 H new ATOM 0 HA CYS A 35 -11.223 3.089 -11.143 1.00 3.21 H new ATOM 0 HB2 CYS A 35 -13.344 3.883 -9.110 1.00 3.23 H new ATOM 0 HB3 CYS A 35 -11.984 2.824 -8.792 1.00 3.23 H new ATOM 0 HG CYS A 35 -10.617 5.495 -9.992 1.00 51.41 H new ATOM 533 N ILE A 36 -12.689 0.946 -10.493 1.00 33.34 N ATOM 534 CA ILE A 36 -13.399 -0.318 -10.647 1.00 55.21 C ATOM 535 C ILE A 36 -13.744 -0.924 -9.291 1.00 62.31 C ATOM 536 O ILE A 36 -12.866 -1.139 -8.455 1.00 34.12 O ATOM 537 CB ILE A 36 -12.571 -1.334 -11.456 1.00 14.30 C ATOM 538 CG1 ILE A 36 -12.180 -0.742 -12.811 1.00 51.45 C ATOM 539 CG2 ILE A 36 -13.353 -2.626 -11.642 1.00 11.40 C ATOM 540 CD1 ILE A 36 -10.685 -0.653 -13.023 1.00 41.01 C ATOM 0 H ILE A 36 -11.876 0.901 -9.878 1.00 33.34 H new ATOM 0 HA ILE A 36 -14.319 -0.099 -11.188 1.00 55.21 H new ATOM 0 HB ILE A 36 -11.659 -1.560 -10.903 1.00 14.30 H new ATOM 0 HG12 ILE A 36 -12.616 -1.351 -13.604 1.00 51.45 H new ATOM 0 HG13 ILE A 36 -12.612 0.255 -12.901 1.00 51.45 H new ATOM 0 HG21 ILE A 36 -12.755 -3.334 -12.216 1.00 11.40 H new ATOM 0 HG22 ILE A 36 -13.586 -3.054 -10.667 1.00 11.40 H new ATOM 0 HG23 ILE A 36 -14.279 -2.417 -12.177 1.00 11.40 H new ATOM 0 HD11 ILE A 36 -10.482 -0.224 -14.004 1.00 41.01 H new ATOM 0 HD12 ILE A 36 -10.245 -0.020 -12.252 1.00 41.01 H new ATOM 0 HD13 ILE A 36 -10.249 -1.651 -12.966 1.00 41.01 H new ATOM 552 N SER A 37 -15.027 -1.200 -9.081 1.00 21.12 N ATOM 553 CA SER A 37 -15.488 -1.781 -7.825 1.00 53.43 C ATOM 554 C SER A 37 -15.673 -3.289 -7.960 1.00 23.14 C ATOM 555 O SER A 37 -15.927 -3.801 -9.050 1.00 74.42 O ATOM 556 CB SER A 37 -16.804 -1.131 -7.392 1.00 21.23 C ATOM 557 OG SER A 37 -17.633 -0.864 -8.509 1.00 53.22 O ATOM 0 H SER A 37 -15.766 -1.031 -9.764 1.00 21.12 H new ATOM 0 HA SER A 37 -14.730 -1.592 -7.065 1.00 53.43 H new ATOM 0 HB2 SER A 37 -17.326 -1.788 -6.697 1.00 21.23 H new ATOM 0 HB3 SER A 37 -16.597 -0.203 -6.859 1.00 21.23 H new ATOM 0 HG SER A 37 -18.468 -0.451 -8.205 1.00 53.22 H new ATOM 563 N THR A 38 -15.542 -3.997 -6.842 1.00 0.13 N ATOM 564 CA THR A 38 -15.692 -5.446 -6.833 1.00 33.51 C ATOM 565 C THR A 38 -17.042 -5.863 -7.406 1.00 52.31 C ATOM 566 O THR A 38 -17.202 -6.981 -7.896 1.00 53.45 O ATOM 567 CB THR A 38 -15.554 -6.017 -5.409 1.00 11.02 C ATOM 568 OG1 THR A 38 -15.959 -7.390 -5.390 1.00 21.42 O ATOM 569 CG2 THR A 38 -16.396 -5.221 -4.423 1.00 30.10 C ATOM 0 H THR A 38 -15.332 -3.589 -5.931 1.00 0.13 H new ATOM 0 HA THR A 38 -14.895 -5.849 -7.457 1.00 33.51 H new ATOM 0 HB THR A 38 -14.508 -5.943 -5.112 1.00 11.02 H new ATOM 0 HG1 THR A 38 -16.020 -7.700 -4.462 1.00 21.42 H new ATOM 0 HG21 THR A 38 -16.283 -5.643 -3.424 1.00 30.10 H new ATOM 0 HG22 THR A 38 -16.066 -4.182 -4.418 1.00 30.10 H new ATOM 0 HG23 THR A 38 -17.444 -5.267 -4.719 1.00 30.10 H new ATOM 577 N LYS A 39 -18.012 -4.956 -7.342 1.00 23.50 N ATOM 578 CA LYS A 39 -19.349 -5.228 -7.857 1.00 3.05 C ATOM 579 C LYS A 39 -19.319 -5.430 -9.368 1.00 72.31 C ATOM 580 O LYS A 39 -19.736 -6.473 -9.871 1.00 54.35 O ATOM 581 CB LYS A 39 -20.296 -4.079 -7.503 1.00 74.45 C ATOM 582 CG LYS A 39 -20.492 -3.890 -6.009 1.00 51.32 C ATOM 583 CD LYS A 39 -21.420 -4.945 -5.430 1.00 41.51 C ATOM 584 CE LYS A 39 -22.880 -4.600 -5.680 1.00 32.11 C ATOM 585 NZ LYS A 39 -23.296 -3.377 -4.939 1.00 33.33 N ATOM 0 H LYS A 39 -17.897 -4.026 -6.938 1.00 23.50 H new ATOM 0 HA LYS A 39 -19.711 -6.146 -7.393 1.00 3.05 H new ATOM 0 HB2 LYS A 39 -19.907 -3.154 -7.930 1.00 74.45 H new ATOM 0 HB3 LYS A 39 -21.265 -4.262 -7.968 1.00 74.45 H new ATOM 0 HG2 LYS A 39 -19.526 -3.938 -5.506 1.00 51.32 H new ATOM 0 HG3 LYS A 39 -20.902 -2.899 -5.818 1.00 51.32 H new ATOM 0 HD2 LYS A 39 -21.193 -5.914 -5.874 1.00 41.51 H new ATOM 0 HD3 LYS A 39 -21.245 -5.036 -4.358 1.00 41.51 H new ATOM 0 HE2 LYS A 39 -23.040 -4.450 -6.748 1.00 32.11 H new ATOM 0 HE3 LYS A 39 -23.508 -5.438 -5.379 1.00 32.11 H new ATOM 0 HZ1 LYS A 39 -24.329 -3.377 -4.822 1.00 33.33 H new ATOM 0 HZ2 LYS A 39 -22.842 -3.366 -4.004 1.00 33.33 H new ATOM 0 HZ3 LYS A 39 -23.008 -2.533 -5.473 1.00 33.33 H new ATOM 599 N GLU A 40 -18.822 -4.427 -10.085 1.00 74.44 N ATOM 600 CA GLU A 40 -18.738 -4.497 -11.540 1.00 35.45 C ATOM 601 C GLU A 40 -17.595 -5.409 -11.975 1.00 43.33 C ATOM 602 O GLU A 40 -17.703 -6.128 -12.969 1.00 50.14 O ATOM 603 CB GLU A 40 -18.544 -3.099 -12.129 1.00 41.12 C ATOM 604 CG GLU A 40 -19.452 -2.047 -11.514 1.00 60.32 C ATOM 605 CD GLU A 40 -20.920 -2.317 -11.779 1.00 73.24 C ATOM 606 OE1 GLU A 40 -21.304 -2.392 -12.966 1.00 14.55 O ATOM 607 OE2 GLU A 40 -21.685 -2.454 -10.802 1.00 10.12 O ATOM 0 H GLU A 40 -18.472 -3.557 -9.683 1.00 74.44 H new ATOM 0 HA GLU A 40 -19.673 -4.913 -11.914 1.00 35.45 H new ATOM 0 HB2 GLU A 40 -17.506 -2.797 -11.990 1.00 41.12 H new ATOM 0 HB3 GLU A 40 -18.724 -3.139 -13.203 1.00 41.12 H new ATOM 0 HG2 GLU A 40 -19.282 -2.010 -10.438 1.00 60.32 H new ATOM 0 HG3 GLU A 40 -19.189 -1.067 -11.913 1.00 60.32 H new ATOM 614 N LEU A 41 -16.499 -5.373 -11.225 1.00 40.32 N ATOM 615 CA LEU A 41 -15.334 -6.195 -11.533 1.00 43.51 C ATOM 616 C LEU A 41 -15.726 -7.661 -11.683 1.00 3.03 C ATOM 617 O LEU A 41 -15.138 -8.393 -12.478 1.00 74.10 O ATOM 618 CB LEU A 41 -14.277 -6.047 -10.437 1.00 42.41 C ATOM 619 CG LEU A 41 -12.993 -6.855 -10.629 1.00 34.42 C ATOM 620 CD1 LEU A 41 -12.535 -6.794 -12.077 1.00 43.54 C ATOM 621 CD2 LEU A 41 -11.900 -6.349 -9.699 1.00 71.22 C ATOM 0 H LEU A 41 -16.393 -4.784 -10.399 1.00 40.32 H new ATOM 0 HA LEU A 41 -14.917 -5.851 -12.480 1.00 43.51 H new ATOM 0 HB2 LEU A 41 -14.011 -4.993 -10.357 1.00 42.41 H new ATOM 0 HB3 LEU A 41 -14.725 -6.336 -9.486 1.00 42.41 H new ATOM 0 HG LEU A 41 -13.201 -7.896 -10.380 1.00 34.42 H new ATOM 0 HD11 LEU A 41 -11.620 -7.375 -12.194 1.00 43.54 H new ATOM 0 HD12 LEU A 41 -13.311 -7.206 -12.722 1.00 43.54 H new ATOM 0 HD13 LEU A 41 -12.345 -5.757 -12.355 1.00 43.54 H new ATOM 0 HD21 LEU A 41 -10.994 -6.936 -9.850 1.00 71.22 H new ATOM 0 HD22 LEU A 41 -11.694 -5.301 -9.916 1.00 71.22 H new ATOM 0 HD23 LEU A 41 -12.228 -6.447 -8.664 1.00 71.22 H new ATOM 633 N GLY A 42 -16.725 -8.083 -10.913 1.00 43.23 N ATOM 634 CA GLY A 42 -17.180 -9.459 -10.977 1.00 22.41 C ATOM 635 C GLY A 42 -17.870 -9.782 -12.288 1.00 2.15 C ATOM 636 O GLY A 42 -17.864 -10.929 -12.735 1.00 51.34 O ATOM 0 H GLY A 42 -17.227 -7.496 -10.246 1.00 43.23 H new ATOM 0 HA2 GLY A 42 -16.328 -10.126 -10.844 1.00 22.41 H new ATOM 0 HA3 GLY A 42 -17.866 -9.650 -10.152 1.00 22.41 H new ATOM 640 N LYS A 43 -18.468 -8.768 -12.904 1.00 60.54 N ATOM 641 CA LYS A 43 -19.167 -8.948 -14.172 1.00 25.45 C ATOM 642 C LYS A 43 -18.183 -9.251 -15.297 1.00 64.30 C ATOM 643 O LYS A 43 -18.387 -10.178 -16.081 1.00 60.21 O ATOM 644 CB LYS A 43 -19.978 -7.696 -14.512 1.00 61.44 C ATOM 645 CG LYS A 43 -21.145 -7.453 -13.571 1.00 4.42 C ATOM 646 CD LYS A 43 -22.182 -8.558 -13.671 1.00 14.00 C ATOM 647 CE LYS A 43 -22.780 -8.637 -15.067 1.00 41.45 C ATOM 648 NZ LYS A 43 -22.091 -9.654 -15.909 1.00 12.00 N ATOM 0 H LYS A 43 -18.483 -7.813 -12.546 1.00 60.54 H new ATOM 0 HA LYS A 43 -19.845 -9.795 -14.068 1.00 25.45 H new ATOM 0 HB2 LYS A 43 -19.318 -6.829 -14.490 1.00 61.44 H new ATOM 0 HB3 LYS A 43 -20.356 -7.784 -15.531 1.00 61.44 H new ATOM 0 HG2 LYS A 43 -20.780 -7.388 -12.546 1.00 4.42 H new ATOM 0 HG3 LYS A 43 -21.609 -6.495 -13.806 1.00 4.42 H new ATOM 0 HD2 LYS A 43 -21.723 -9.513 -13.416 1.00 14.00 H new ATOM 0 HD3 LYS A 43 -22.975 -8.381 -12.944 1.00 14.00 H new ATOM 0 HE2 LYS A 43 -23.839 -8.883 -14.995 1.00 41.45 H new ATOM 0 HE3 LYS A 43 -22.711 -7.661 -15.547 1.00 41.45 H new ATOM 0 HZ1 LYS A 43 -21.488 -9.175 -16.608 1.00 12.00 H new ATOM 0 HZ2 LYS A 43 -21.503 -10.264 -15.305 1.00 12.00 H new ATOM 0 HZ3 LYS A 43 -22.799 -10.234 -16.402 1.00 12.00 H new ATOM 662 N VAL A 44 -17.113 -8.465 -15.370 1.00 55.21 N ATOM 663 CA VAL A 44 -16.096 -8.651 -16.398 1.00 54.32 C ATOM 664 C VAL A 44 -15.479 -10.042 -16.315 1.00 73.33 C ATOM 665 O VAL A 44 -15.088 -10.620 -17.329 1.00 40.10 O ATOM 666 CB VAL A 44 -14.979 -7.598 -16.279 1.00 2.50 C ATOM 667 CG1 VAL A 44 -13.905 -7.837 -17.329 1.00 51.15 C ATOM 668 CG2 VAL A 44 -15.554 -6.195 -16.403 1.00 0.44 C ATOM 0 H VAL A 44 -16.928 -7.693 -14.729 1.00 55.21 H new ATOM 0 HA VAL A 44 -16.594 -8.534 -17.361 1.00 54.32 H new ATOM 0 HB VAL A 44 -14.519 -7.692 -15.295 1.00 2.50 H new ATOM 0 HG11 VAL A 44 -13.124 -7.083 -17.229 1.00 51.15 H new ATOM 0 HG12 VAL A 44 -13.473 -8.828 -17.188 1.00 51.15 H new ATOM 0 HG13 VAL A 44 -14.347 -7.772 -18.323 1.00 51.15 H new ATOM 0 HG21 VAL A 44 -14.751 -5.464 -16.317 1.00 0.44 H new ATOM 0 HG22 VAL A 44 -16.041 -6.086 -17.372 1.00 0.44 H new ATOM 0 HG23 VAL A 44 -16.283 -6.029 -15.610 1.00 0.44 H new ATOM 678 N MET A 45 -15.396 -10.575 -15.101 1.00 20.32 N ATOM 679 CA MET A 45 -14.828 -11.901 -14.886 1.00 4.12 C ATOM 680 C MET A 45 -15.485 -12.929 -15.800 1.00 73.35 C ATOM 681 O MET A 45 -14.818 -13.814 -16.337 1.00 4.33 O ATOM 682 CB MET A 45 -14.995 -12.320 -13.424 1.00 72.20 C ATOM 683 CG MET A 45 -14.220 -11.449 -12.449 1.00 52.42 C ATOM 684 SD MET A 45 -12.689 -12.222 -11.892 1.00 54.41 S ATOM 685 CE MET A 45 -11.972 -12.719 -13.456 1.00 54.34 C ATOM 0 H MET A 45 -15.715 -10.110 -14.251 1.00 20.32 H new ATOM 0 HA MET A 45 -13.765 -11.856 -15.124 1.00 4.12 H new ATOM 0 HB2 MET A 45 -16.053 -12.289 -13.164 1.00 72.20 H new ATOM 0 HB3 MET A 45 -14.670 -13.354 -13.312 1.00 72.20 H new ATOM 0 HG2 MET A 45 -13.989 -10.496 -12.924 1.00 52.42 H new ATOM 0 HG3 MET A 45 -14.848 -11.231 -11.585 1.00 52.42 H new ATOM 0 HE1 MET A 45 -10.971 -13.117 -13.287 1.00 54.34 H new ATOM 0 HE2 MET A 45 -12.595 -13.487 -13.914 1.00 54.34 H new ATOM 0 HE3 MET A 45 -11.912 -11.856 -14.119 1.00 54.34 H new ATOM 695 N ARG A 46 -16.797 -12.807 -15.974 1.00 33.33 N ATOM 696 CA ARG A 46 -17.545 -13.727 -16.822 1.00 63.53 C ATOM 697 C ARG A 46 -17.015 -13.699 -18.253 1.00 73.32 C ATOM 698 O ARG A 46 -16.884 -14.740 -18.897 1.00 41.42 O ATOM 699 CB ARG A 46 -19.032 -13.372 -16.811 1.00 15.54 C ATOM 700 CG ARG A 46 -19.637 -13.327 -15.417 1.00 31.22 C ATOM 701 CD ARG A 46 -19.927 -14.724 -14.891 1.00 21.24 C ATOM 702 NE ARG A 46 -21.075 -14.742 -13.988 1.00 4.23 N ATOM 703 CZ ARG A 46 -21.764 -15.839 -13.697 1.00 30.44 C ATOM 704 NH1 ARG A 46 -21.423 -17.002 -14.234 1.00 72.44 N ATOM 705 NH2 ARG A 46 -22.796 -15.775 -12.866 1.00 15.03 N ATOM 0 H ARG A 46 -17.364 -12.079 -15.539 1.00 33.33 H new ATOM 0 HA ARG A 46 -17.417 -14.734 -16.424 1.00 63.53 H new ATOM 0 HB2 ARG A 46 -19.169 -12.402 -17.289 1.00 15.54 H new ATOM 0 HB3 ARG A 46 -19.576 -14.102 -17.411 1.00 15.54 H new ATOM 0 HG2 ARG A 46 -18.954 -12.816 -14.739 1.00 31.22 H new ATOM 0 HG3 ARG A 46 -20.559 -12.746 -15.438 1.00 31.22 H new ATOM 0 HD2 ARG A 46 -20.115 -15.395 -15.729 1.00 21.24 H new ATOM 0 HD3 ARG A 46 -19.049 -15.104 -14.369 1.00 21.24 H new ATOM 0 HE ARG A 46 -21.363 -13.863 -13.557 1.00 4.23 H new ATOM 0 HH11 ARG A 46 -20.629 -17.056 -14.873 1.00 72.44 H new ATOM 0 HH12 ARG A 46 -21.954 -17.843 -14.009 1.00 72.44 H new ATOM 0 HH21 ARG A 46 -23.061 -14.882 -12.450 1.00 15.03 H new ATOM 0 HH22 ARG A 46 -23.325 -16.618 -12.643 1.00 15.03 H new ATOM 719 N MET A 47 -16.714 -12.501 -18.744 1.00 22.44 N ATOM 720 CA MET A 47 -16.198 -12.338 -20.098 1.00 32.21 C ATOM 721 C MET A 47 -14.828 -12.993 -20.241 1.00 31.44 C ATOM 722 O MET A 47 -14.447 -13.428 -21.328 1.00 61.31 O ATOM 723 CB MET A 47 -16.106 -10.854 -20.456 1.00 53.31 C ATOM 724 CG MET A 47 -17.386 -10.081 -20.178 1.00 64.21 C ATOM 725 SD MET A 47 -17.540 -8.603 -21.199 1.00 74.34 S ATOM 726 CE MET A 47 -18.794 -7.698 -20.296 1.00 55.35 C ATOM 0 H MET A 47 -16.819 -11.629 -18.225 1.00 22.44 H new ATOM 0 HA MET A 47 -16.889 -12.828 -20.784 1.00 32.21 H new ATOM 0 HB2 MET A 47 -15.289 -10.403 -19.893 1.00 53.31 H new ATOM 0 HB3 MET A 47 -15.856 -10.758 -21.513 1.00 53.31 H new ATOM 0 HG2 MET A 47 -18.244 -10.730 -20.354 1.00 64.21 H new ATOM 0 HG3 MET A 47 -17.413 -9.796 -19.126 1.00 64.21 H new ATOM 0 HE1 MET A 47 -19.000 -6.756 -20.804 1.00 55.35 H new ATOM 0 HE2 MET A 47 -19.707 -8.291 -20.248 1.00 55.35 H new ATOM 0 HE3 MET A 47 -18.439 -7.495 -19.286 1.00 55.35 H new ATOM 736 N LEU A 48 -14.092 -13.061 -19.137 1.00 43.40 N ATOM 737 CA LEU A 48 -12.763 -13.663 -19.139 1.00 41.23 C ATOM 738 C LEU A 48 -12.854 -15.183 -19.228 1.00 11.20 C ATOM 739 O LEU A 48 -11.896 -15.851 -19.614 1.00 50.13 O ATOM 740 CB LEU A 48 -11.996 -13.259 -17.879 1.00 33.13 C ATOM 741 CG LEU A 48 -11.154 -11.987 -17.984 1.00 24.51 C ATOM 742 CD1 LEU A 48 -11.989 -10.836 -18.521 1.00 35.11 C ATOM 743 CD2 LEU A 48 -10.557 -11.630 -16.631 1.00 5.23 C ATOM 0 H LEU A 48 -14.393 -12.707 -18.229 1.00 43.40 H new ATOM 0 HA LEU A 48 -12.227 -13.298 -20.015 1.00 41.23 H new ATOM 0 HB2 LEU A 48 -12.712 -13.130 -17.068 1.00 33.13 H new ATOM 0 HB3 LEU A 48 -11.340 -14.083 -17.598 1.00 33.13 H new ATOM 0 HG LEU A 48 -10.337 -12.172 -18.682 1.00 24.51 H new ATOM 0 HD11 LEU A 48 -11.372 -9.940 -18.589 1.00 35.11 H new ATOM 0 HD12 LEU A 48 -12.367 -11.092 -19.511 1.00 35.11 H new ATOM 0 HD13 LEU A 48 -12.827 -10.650 -17.849 1.00 35.11 H new ATOM 0 HD21 LEU A 48 -9.961 -10.722 -16.724 1.00 5.23 H new ATOM 0 HD22 LEU A 48 -11.359 -11.465 -15.912 1.00 5.23 H new ATOM 0 HD23 LEU A 48 -9.923 -12.447 -16.286 1.00 5.23 H new ATOM 755 N GLY A 49 -14.015 -15.723 -18.869 1.00 22.00 N ATOM 756 CA GLY A 49 -14.211 -17.160 -18.917 1.00 63.22 C ATOM 757 C GLY A 49 -14.407 -17.765 -17.541 1.00 73.03 C ATOM 758 O GLY A 49 -14.778 -18.932 -17.417 1.00 51.13 O ATOM 0 H GLY A 49 -14.823 -15.191 -18.546 1.00 22.00 H new ATOM 0 HA2 GLY A 49 -15.079 -17.385 -19.536 1.00 63.22 H new ATOM 0 HA3 GLY A 49 -13.349 -17.625 -19.396 1.00 63.22 H new ATOM 762 N GLN A 50 -14.157 -16.970 -16.506 1.00 21.31 N ATOM 763 CA GLN A 50 -14.307 -17.436 -15.132 1.00 43.13 C ATOM 764 C GLN A 50 -15.485 -16.749 -14.450 1.00 75.33 C ATOM 765 O GLN A 50 -15.880 -15.648 -14.831 1.00 64.00 O ATOM 766 CB GLN A 50 -13.023 -17.178 -14.341 1.00 53.30 C ATOM 767 CG GLN A 50 -11.908 -18.163 -14.651 1.00 75.44 C ATOM 768 CD GLN A 50 -10.626 -17.847 -13.907 1.00 60.25 C ATOM 769 OE1 GLN A 50 -9.552 -17.768 -14.504 1.00 41.44 O ATOM 770 NE2 GLN A 50 -10.731 -17.665 -12.596 1.00 54.44 N ATOM 0 H GLN A 50 -13.850 -16.001 -16.592 1.00 21.31 H new ATOM 0 HA GLN A 50 -14.501 -18.508 -15.157 1.00 43.13 H new ATOM 0 HB2 GLN A 50 -12.673 -16.168 -14.553 1.00 53.30 H new ATOM 0 HB3 GLN A 50 -13.248 -17.221 -13.275 1.00 53.30 H new ATOM 0 HG2 GLN A 50 -12.235 -19.170 -14.391 1.00 75.44 H new ATOM 0 HG3 GLN A 50 -11.712 -18.158 -15.723 1.00 75.44 H new ATOM 0 HE21 GLN A 50 -11.641 -17.740 -12.142 1.00 54.44 H new ATOM 0 HE22 GLN A 50 -9.901 -17.450 -12.043 1.00 54.44 H new ATOM 779 N ASN A 51 -16.044 -17.408 -13.440 1.00 71.32 N ATOM 780 CA ASN A 51 -17.179 -16.861 -12.705 1.00 61.33 C ATOM 781 C ASN A 51 -17.028 -17.111 -11.208 1.00 13.53 C ATOM 782 O ASN A 51 -17.777 -17.878 -10.602 1.00 52.34 O ATOM 783 CB ASN A 51 -18.485 -17.480 -13.208 1.00 22.31 C ATOM 784 CG ASN A 51 -18.412 -18.993 -13.294 1.00 52.40 C ATOM 785 OD1 ASN A 51 -17.761 -19.544 -14.181 1.00 73.44 O ATOM 786 ND2 ASN A 51 -19.083 -19.671 -12.370 1.00 4.54 N ATOM 0 H ASN A 51 -15.730 -18.321 -13.112 1.00 71.32 H new ATOM 0 HA ASN A 51 -17.206 -15.785 -12.875 1.00 61.33 H new ATOM 0 HB2 ASN A 51 -19.299 -17.195 -12.541 1.00 22.31 H new ATOM 0 HB3 ASN A 51 -18.721 -17.074 -14.191 1.00 22.31 H new ATOM 0 HD21 ASN A 51 -19.072 -20.691 -12.377 1.00 4.54 H new ATOM 0 HD22 ASN A 51 -19.609 -19.172 -11.653 1.00 4.54 H new ATOM 793 N PRO A 52 -16.037 -16.447 -10.594 1.00 52.12 N ATOM 794 CA PRO A 52 -15.765 -16.579 -9.160 1.00 14.12 C ATOM 795 C PRO A 52 -16.854 -15.943 -8.303 1.00 12.45 C ATOM 796 O PRO A 52 -17.584 -15.061 -8.759 1.00 65.40 O ATOM 797 CB PRO A 52 -14.440 -15.835 -8.980 1.00 0.41 C ATOM 798 CG PRO A 52 -14.400 -14.855 -10.102 1.00 32.32 C ATOM 799 CD PRO A 52 -15.106 -15.516 -11.254 1.00 21.15 C ATOM 0 HA PRO A 52 -15.729 -17.622 -8.846 1.00 14.12 H new ATOM 0 HB2 PRO A 52 -14.396 -15.332 -8.014 1.00 0.41 H new ATOM 0 HB3 PRO A 52 -13.593 -16.520 -9.022 1.00 0.41 H new ATOM 0 HG2 PRO A 52 -14.893 -13.924 -9.824 1.00 32.32 H new ATOM 0 HG3 PRO A 52 -13.372 -14.605 -10.366 1.00 32.32 H new ATOM 0 HD2 PRO A 52 -15.634 -14.790 -11.872 1.00 21.15 H new ATOM 0 HD3 PRO A 52 -14.408 -16.041 -11.906 1.00 21.15 H new ATOM 807 N THR A 53 -16.959 -16.394 -7.056 1.00 55.14 N ATOM 808 CA THR A 53 -17.960 -15.869 -6.135 1.00 62.34 C ATOM 809 C THR A 53 -17.836 -14.357 -5.992 1.00 44.20 C ATOM 810 O THR A 53 -16.796 -13.765 -6.284 1.00 13.43 O ATOM 811 CB THR A 53 -17.837 -16.517 -4.743 1.00 65.45 C ATOM 812 OG1 THR A 53 -16.511 -17.027 -4.556 1.00 14.43 O ATOM 813 CG2 THR A 53 -18.846 -17.644 -4.580 1.00 0.54 C ATOM 0 H THR A 53 -16.363 -17.122 -6.661 1.00 55.14 H new ATOM 0 HA THR A 53 -18.936 -16.112 -6.556 1.00 62.34 H new ATOM 0 HB THR A 53 -18.043 -15.755 -3.992 1.00 65.45 H new ATOM 0 HG1 THR A 53 -16.440 -17.436 -3.668 1.00 14.43 H new ATOM 0 HG21 THR A 53 -18.740 -18.087 -3.589 1.00 0.54 H new ATOM 0 HG22 THR A 53 -19.855 -17.248 -4.695 1.00 0.54 H new ATOM 0 HG23 THR A 53 -18.666 -18.406 -5.339 1.00 0.54 H new ATOM 821 N PRO A 54 -18.919 -13.714 -5.531 1.00 71.34 N ATOM 822 CA PRO A 54 -18.955 -12.262 -5.338 1.00 14.33 C ATOM 823 C PRO A 54 -18.074 -11.809 -4.179 1.00 23.32 C ATOM 824 O PRO A 54 -17.288 -10.872 -4.315 1.00 22.24 O ATOM 825 CB PRO A 54 -20.428 -11.982 -5.030 1.00 14.50 C ATOM 826 CG PRO A 54 -20.947 -13.259 -4.466 1.00 72.11 C ATOM 827 CD PRO A 54 -20.192 -14.357 -5.164 1.00 12.52 C ATOM 0 HA PRO A 54 -18.577 -11.726 -6.209 1.00 14.33 H new ATOM 0 HB2 PRO A 54 -20.535 -11.163 -4.319 1.00 14.50 H new ATOM 0 HB3 PRO A 54 -20.973 -11.696 -5.930 1.00 14.50 H new ATOM 0 HG2 PRO A 54 -20.790 -13.302 -3.388 1.00 72.11 H new ATOM 0 HG3 PRO A 54 -22.019 -13.354 -4.636 1.00 72.11 H new ATOM 0 HD2 PRO A 54 -20.035 -15.215 -4.511 1.00 12.52 H new ATOM 0 HD3 PRO A 54 -20.728 -14.718 -6.042 1.00 12.52 H new ATOM 835 N GLU A 55 -18.210 -12.482 -3.040 1.00 43.40 N ATOM 836 CA GLU A 55 -17.425 -12.147 -1.858 1.00 3.13 C ATOM 837 C GLU A 55 -15.937 -12.377 -2.109 1.00 73.41 C ATOM 838 O GLU A 55 -15.088 -11.696 -1.535 1.00 71.25 O ATOM 839 CB GLU A 55 -17.886 -12.980 -0.660 1.00 4.34 C ATOM 840 CG GLU A 55 -19.263 -12.596 -0.145 1.00 43.41 C ATOM 841 CD GLU A 55 -19.440 -11.095 -0.016 1.00 25.13 C ATOM 842 OE1 GLU A 55 -18.981 -10.528 0.998 1.00 62.31 O ATOM 843 OE2 GLU A 55 -20.037 -10.488 -0.929 1.00 41.21 O ATOM 0 H GLU A 55 -18.856 -13.261 -2.911 1.00 43.40 H new ATOM 0 HA GLU A 55 -17.579 -11.091 -1.638 1.00 3.13 H new ATOM 0 HB2 GLU A 55 -17.893 -14.033 -0.942 1.00 4.34 H new ATOM 0 HB3 GLU A 55 -17.162 -12.871 0.148 1.00 4.34 H new ATOM 0 HG2 GLU A 55 -20.022 -12.991 -0.820 1.00 43.41 H new ATOM 0 HG3 GLU A 55 -19.426 -13.062 0.827 1.00 43.41 H new ATOM 850 N GLU A 56 -15.631 -13.343 -2.970 1.00 52.11 N ATOM 851 CA GLU A 56 -14.247 -13.664 -3.296 1.00 63.01 C ATOM 852 C GLU A 56 -13.581 -12.510 -4.040 1.00 0.55 C ATOM 853 O GLU A 56 -12.370 -12.308 -3.940 1.00 62.44 O ATOM 854 CB GLU A 56 -14.181 -14.936 -4.144 1.00 21.33 C ATOM 855 CG GLU A 56 -12.792 -15.549 -4.215 1.00 53.23 C ATOM 856 CD GLU A 56 -12.531 -16.250 -5.534 1.00 52.13 C ATOM 857 OE1 GLU A 56 -13.350 -17.109 -5.923 1.00 12.43 O ATOM 858 OE2 GLU A 56 -11.507 -15.939 -6.178 1.00 52.01 O ATOM 0 H GLU A 56 -16.323 -13.916 -3.454 1.00 52.11 H new ATOM 0 HA GLU A 56 -13.710 -13.830 -2.362 1.00 63.01 H new ATOM 0 HB2 GLU A 56 -14.873 -15.672 -3.735 1.00 21.33 H new ATOM 0 HB3 GLU A 56 -14.520 -14.707 -5.154 1.00 21.33 H new ATOM 0 HG2 GLU A 56 -12.046 -14.768 -4.069 1.00 53.23 H new ATOM 0 HG3 GLU A 56 -12.671 -16.261 -3.399 1.00 53.23 H new ATOM 865 N LEU A 57 -14.380 -11.754 -4.784 1.00 75.25 N ATOM 866 CA LEU A 57 -13.870 -10.619 -5.546 1.00 31.31 C ATOM 867 C LEU A 57 -13.223 -9.591 -4.623 1.00 60.43 C ATOM 868 O LEU A 57 -12.061 -9.227 -4.803 1.00 55.14 O ATOM 869 CB LEU A 57 -15.000 -9.966 -6.344 1.00 1.34 C ATOM 870 CG LEU A 57 -15.652 -10.835 -7.419 1.00 34.10 C ATOM 871 CD1 LEU A 57 -17.017 -10.281 -7.798 1.00 30.01 C ATOM 872 CD2 LEU A 57 -14.755 -10.931 -8.644 1.00 61.31 C ATOM 0 H LEU A 57 -15.384 -11.906 -4.876 1.00 75.25 H new ATOM 0 HA LEU A 57 -13.112 -10.987 -6.237 1.00 31.31 H new ATOM 0 HB2 LEU A 57 -15.773 -9.646 -5.645 1.00 1.34 H new ATOM 0 HB3 LEU A 57 -14.609 -9.067 -6.820 1.00 1.34 H new ATOM 0 HG LEU A 57 -15.789 -11.838 -7.014 1.00 34.10 H new ATOM 0 HD11 LEU A 57 -17.466 -10.913 -8.565 1.00 30.01 H new ATOM 0 HD12 LEU A 57 -17.660 -10.265 -6.918 1.00 30.01 H new ATOM 0 HD13 LEU A 57 -16.904 -9.268 -8.183 1.00 30.01 H new ATOM 0 HD21 LEU A 57 -15.235 -11.554 -9.399 1.00 61.31 H new ATOM 0 HD22 LEU A 57 -14.586 -9.934 -9.050 1.00 61.31 H new ATOM 0 HD23 LEU A 57 -13.800 -11.375 -8.362 1.00 61.31 H new ATOM 884 N GLN A 58 -13.982 -9.130 -3.635 1.00 32.45 N ATOM 885 CA GLN A 58 -13.481 -8.146 -2.683 1.00 13.31 C ATOM 886 C GLN A 58 -12.328 -8.717 -1.865 1.00 0.03 C ATOM 887 O GLN A 58 -11.489 -7.975 -1.355 1.00 53.42 O ATOM 888 CB GLN A 58 -14.605 -7.688 -1.752 1.00 11.34 C ATOM 889 CG GLN A 58 -14.112 -6.921 -0.535 1.00 35.53 C ATOM 890 CD GLN A 58 -15.089 -5.853 -0.083 1.00 62.30 C ATOM 891 OE1 GLN A 58 -16.042 -6.134 0.644 1.00 22.53 O ATOM 892 NE2 GLN A 58 -14.856 -4.619 -0.513 1.00 13.53 N ATOM 0 H GLN A 58 -14.946 -9.422 -3.473 1.00 32.45 H new ATOM 0 HA GLN A 58 -13.113 -7.288 -3.246 1.00 13.31 H new ATOM 0 HB2 GLN A 58 -15.296 -7.058 -2.313 1.00 11.34 H new ATOM 0 HB3 GLN A 58 -15.167 -8.560 -1.418 1.00 11.34 H new ATOM 0 HG2 GLN A 58 -13.938 -7.619 0.284 1.00 35.53 H new ATOM 0 HG3 GLN A 58 -13.153 -6.457 -0.767 1.00 35.53 H new ATOM 0 HE21 GLN A 58 -14.054 -4.431 -1.114 1.00 13.53 H new ATOM 0 HE22 GLN A 58 -15.479 -3.858 -0.242 1.00 13.53 H new ATOM 901 N GLU A 59 -12.293 -10.040 -1.743 1.00 74.44 N ATOM 902 CA GLU A 59 -11.243 -10.710 -0.986 1.00 20.15 C ATOM 903 C GLU A 59 -9.868 -10.398 -1.569 1.00 61.31 C ATOM 904 O GLU A 59 -8.963 -9.966 -0.856 1.00 11.30 O ATOM 905 CB GLU A 59 -11.475 -12.223 -0.977 1.00 44.42 C ATOM 906 CG GLU A 59 -11.816 -12.778 0.395 1.00 32.50 C ATOM 907 CD GLU A 59 -11.885 -14.293 0.410 1.00 21.22 C ATOM 908 OE1 GLU A 59 -12.938 -14.843 0.023 1.00 3.42 O ATOM 909 OE2 GLU A 59 -10.887 -14.929 0.809 1.00 30.01 O ATOM 0 H GLU A 59 -12.980 -10.669 -2.159 1.00 74.44 H new ATOM 0 HA GLU A 59 -11.276 -10.339 0.038 1.00 20.15 H new ATOM 0 HB2 GLU A 59 -12.284 -12.462 -1.668 1.00 44.42 H new ATOM 0 HB3 GLU A 59 -10.580 -12.722 -1.349 1.00 44.42 H new ATOM 0 HG2 GLU A 59 -11.068 -12.445 1.114 1.00 32.50 H new ATOM 0 HG3 GLU A 59 -12.774 -12.371 0.720 1.00 32.50 H new ATOM 916 N MET A 60 -9.719 -10.622 -2.871 1.00 34.23 N ATOM 917 CA MET A 60 -8.455 -10.365 -3.551 1.00 12.34 C ATOM 918 C MET A 60 -8.168 -8.868 -3.615 1.00 65.10 C ATOM 919 O MET A 60 -7.010 -8.451 -3.666 1.00 30.01 O ATOM 920 CB MET A 60 -8.483 -10.952 -4.963 1.00 45.11 C ATOM 921 CG MET A 60 -7.114 -11.375 -5.472 1.00 0.11 C ATOM 922 SD MET A 60 -6.286 -10.072 -6.403 1.00 4.44 S ATOM 923 CE MET A 60 -6.364 -10.739 -8.063 1.00 13.21 C ATOM 0 H MET A 60 -10.458 -10.981 -3.476 1.00 34.23 H new ATOM 0 HA MET A 60 -7.659 -10.846 -2.982 1.00 12.34 H new ATOM 0 HB2 MET A 60 -9.149 -11.815 -4.976 1.00 45.11 H new ATOM 0 HB3 MET A 60 -8.904 -10.214 -5.646 1.00 45.11 H new ATOM 0 HG2 MET A 60 -6.490 -11.665 -4.627 1.00 0.11 H new ATOM 0 HG3 MET A 60 -7.222 -12.256 -6.105 1.00 0.11 H new ATOM 0 HE1 MET A 60 -5.891 -10.044 -8.757 1.00 13.21 H new ATOM 0 HE2 MET A 60 -5.843 -11.696 -8.095 1.00 13.21 H new ATOM 0 HE3 MET A 60 -7.406 -10.883 -8.349 1.00 13.21 H new ATOM 933 N ILE A 61 -9.227 -8.066 -3.613 1.00 3.13 N ATOM 934 CA ILE A 61 -9.087 -6.616 -3.670 1.00 65.20 C ATOM 935 C ILE A 61 -8.650 -6.052 -2.322 1.00 60.41 C ATOM 936 O ILE A 61 -8.084 -4.962 -2.248 1.00 11.52 O ATOM 937 CB ILE A 61 -10.403 -5.940 -4.095 1.00 13.44 C ATOM 938 CG1 ILE A 61 -10.777 -6.351 -5.520 1.00 70.21 C ATOM 939 CG2 ILE A 61 -10.279 -4.427 -3.989 1.00 54.15 C ATOM 940 CD1 ILE A 61 -12.082 -5.754 -5.999 1.00 44.22 C ATOM 0 H ILE A 61 -10.191 -8.395 -3.573 1.00 3.13 H new ATOM 0 HA ILE A 61 -8.321 -6.402 -4.416 1.00 65.20 H new ATOM 0 HB ILE A 61 -11.196 -6.268 -3.423 1.00 13.44 H new ATOM 0 HG12 ILE A 61 -9.978 -6.049 -6.198 1.00 70.21 H new ATOM 0 HG13 ILE A 61 -10.844 -7.438 -5.570 1.00 70.21 H new ATOM 0 HG21 ILE A 61 -11.217 -3.963 -4.293 1.00 54.15 H new ATOM 0 HG22 ILE A 61 -10.055 -4.152 -2.958 1.00 54.15 H new ATOM 0 HG23 ILE A 61 -9.476 -4.081 -4.640 1.00 54.15 H new ATOM 0 HD11 ILE A 61 -12.283 -6.089 -7.017 1.00 44.22 H new ATOM 0 HD12 ILE A 61 -12.892 -6.076 -5.344 1.00 44.22 H new ATOM 0 HD13 ILE A 61 -12.013 -4.666 -5.982 1.00 44.22 H new ATOM 952 N ASP A 62 -8.915 -6.804 -1.259 1.00 50.31 N ATOM 953 CA ASP A 62 -8.547 -6.381 0.087 1.00 0.31 C ATOM 954 C ASP A 62 -7.031 -6.302 0.237 1.00 61.14 C ATOM 955 O ASP A 62 -6.497 -5.304 0.717 1.00 5.55 O ATOM 956 CB ASP A 62 -9.125 -7.345 1.124 1.00 62.53 C ATOM 957 CG ASP A 62 -8.717 -6.986 2.539 1.00 34.52 C ATOM 958 OD1 ASP A 62 -9.284 -6.021 3.092 1.00 4.22 O ATOM 959 OD2 ASP A 62 -7.832 -7.671 3.094 1.00 44.44 O ATOM 0 H ASP A 62 -9.383 -7.709 -1.304 1.00 50.31 H new ATOM 0 HA ASP A 62 -8.963 -5.387 0.255 1.00 0.31 H new ATOM 0 HB2 ASP A 62 -10.213 -7.343 1.051 1.00 62.53 H new ATOM 0 HB3 ASP A 62 -8.792 -8.358 0.899 1.00 62.53 H new ATOM 964 N GLU A 63 -6.345 -7.363 -0.178 1.00 4.41 N ATOM 965 CA GLU A 63 -4.890 -7.413 -0.088 1.00 31.31 C ATOM 966 C GLU A 63 -4.249 -6.463 -1.095 1.00 12.51 C ATOM 967 O GLU A 63 -3.111 -6.029 -0.918 1.00 43.45 O ATOM 968 CB GLU A 63 -4.391 -8.840 -0.328 1.00 15.20 C ATOM 969 CG GLU A 63 -3.464 -9.352 0.761 1.00 10.22 C ATOM 970 CD GLU A 63 -2.117 -8.655 0.756 1.00 71.24 C ATOM 971 OE1 GLU A 63 -1.468 -8.625 -0.311 1.00 35.21 O ATOM 972 OE2 GLU A 63 -1.712 -8.140 1.819 1.00 51.33 O ATOM 0 H GLU A 63 -6.772 -8.198 -0.579 1.00 4.41 H new ATOM 0 HA GLU A 63 -4.603 -7.099 0.915 1.00 31.31 H new ATOM 0 HB2 GLU A 63 -5.249 -9.508 -0.406 1.00 15.20 H new ATOM 0 HB3 GLU A 63 -3.870 -8.877 -1.284 1.00 15.20 H new ATOM 0 HG2 GLU A 63 -3.938 -9.211 1.732 1.00 10.22 H new ATOM 0 HG3 GLU A 63 -3.315 -10.424 0.632 1.00 10.22 H new ATOM 979 N VAL A 64 -4.989 -6.143 -2.152 1.00 61.43 N ATOM 980 CA VAL A 64 -4.494 -5.244 -3.188 1.00 33.20 C ATOM 981 C VAL A 64 -4.649 -3.786 -2.770 1.00 33.30 C ATOM 982 O VAL A 64 -3.729 -2.984 -2.927 1.00 11.33 O ATOM 983 CB VAL A 64 -5.231 -5.465 -4.522 1.00 75.52 C ATOM 984 CG1 VAL A 64 -4.786 -4.441 -5.555 1.00 32.13 C ATOM 985 CG2 VAL A 64 -5.001 -6.881 -5.029 1.00 42.15 C ATOM 0 H VAL A 64 -5.933 -6.493 -2.313 1.00 61.43 H new ATOM 0 HA VAL A 64 -3.436 -5.470 -3.324 1.00 33.20 H new ATOM 0 HB VAL A 64 -6.300 -5.333 -4.353 1.00 75.52 H new ATOM 0 HG11 VAL A 64 -5.318 -4.613 -6.491 1.00 32.13 H new ATOM 0 HG12 VAL A 64 -5.007 -3.438 -5.191 1.00 32.13 H new ATOM 0 HG13 VAL A 64 -3.714 -4.537 -5.724 1.00 32.13 H new ATOM 0 HG21 VAL A 64 -5.529 -7.020 -5.972 1.00 42.15 H new ATOM 0 HG22 VAL A 64 -3.934 -7.044 -5.183 1.00 42.15 H new ATOM 0 HG23 VAL A 64 -5.375 -7.595 -4.295 1.00 42.15 H new ATOM 995 N ASP A 65 -5.819 -3.451 -2.237 1.00 40.20 N ATOM 996 CA ASP A 65 -6.095 -2.089 -1.794 1.00 41.02 C ATOM 997 C ASP A 65 -5.246 -1.730 -0.579 1.00 22.23 C ATOM 998 O ASP A 65 -5.551 -2.132 0.543 1.00 32.34 O ATOM 999 CB ASP A 65 -7.579 -1.929 -1.460 1.00 61.33 C ATOM 1000 CG ASP A 65 -8.026 -0.481 -1.488 1.00 1.14 C ATOM 1001 OD1 ASP A 65 -7.168 0.409 -1.305 1.00 34.45 O ATOM 1002 OD2 ASP A 65 -9.233 -0.237 -1.693 1.00 11.20 O ATOM 0 H ASP A 65 -6.591 -4.103 -2.101 1.00 40.20 H new ATOM 0 HA ASP A 65 -5.839 -1.410 -2.607 1.00 41.02 H new ATOM 0 HB2 ASP A 65 -8.172 -2.503 -2.172 1.00 61.33 H new ATOM 0 HB3 ASP A 65 -7.773 -2.347 -0.472 1.00 61.33 H new ATOM 1007 N GLU A 66 -4.179 -0.972 -0.811 1.00 64.44 N ATOM 1008 CA GLU A 66 -3.285 -0.562 0.265 1.00 1.31 C ATOM 1009 C GLU A 66 -3.983 0.412 1.210 1.00 30.13 C ATOM 1010 O GLU A 66 -3.645 0.497 2.391 1.00 12.41 O ATOM 1011 CB GLU A 66 -2.022 0.084 -0.309 1.00 12.51 C ATOM 1012 CG GLU A 66 -2.252 1.480 -0.865 1.00 25.12 C ATOM 1013 CD GLU A 66 -0.991 2.090 -1.447 1.00 13.43 C ATOM 1014 OE1 GLU A 66 -0.530 1.608 -2.502 1.00 30.32 O ATOM 1015 OE2 GLU A 66 -0.467 3.052 -0.846 1.00 63.31 O ATOM 0 H GLU A 66 -3.913 -0.630 -1.734 1.00 64.44 H new ATOM 0 HA GLU A 66 -3.005 -1.452 0.829 1.00 1.31 H new ATOM 0 HB2 GLU A 66 -1.262 0.133 0.471 1.00 12.51 H new ATOM 0 HB3 GLU A 66 -1.626 -0.553 -1.100 1.00 12.51 H new ATOM 0 HG2 GLU A 66 -3.021 1.438 -1.637 1.00 25.12 H new ATOM 0 HG3 GLU A 66 -2.631 2.125 -0.072 1.00 25.12 H new ATOM 1022 N ASP A 67 -4.957 1.144 0.682 1.00 75.11 N ATOM 1023 CA ASP A 67 -5.704 2.111 1.477 1.00 12.54 C ATOM 1024 C ASP A 67 -7.017 1.511 1.971 1.00 2.35 C ATOM 1025 O ASP A 67 -7.721 2.114 2.780 1.00 31.14 O ATOM 1026 CB ASP A 67 -5.982 3.372 0.657 1.00 73.00 C ATOM 1027 CG ASP A 67 -6.445 3.056 -0.752 1.00 33.44 C ATOM 1028 OD1 ASP A 67 -5.582 2.924 -1.644 1.00 1.50 O ATOM 1029 OD2 ASP A 67 -7.671 2.940 -0.962 1.00 31.13 O ATOM 0 H ASP A 67 -5.248 1.086 -0.294 1.00 75.11 H new ATOM 0 HA ASP A 67 -5.098 2.377 2.343 1.00 12.54 H new ATOM 0 HB2 ASP A 67 -6.742 3.969 1.161 1.00 73.00 H new ATOM 0 HB3 ASP A 67 -5.078 3.979 0.612 1.00 73.00 H new ATOM 1034 N GLY A 68 -7.340 0.320 1.478 1.00 60.33 N ATOM 1035 CA GLY A 68 -8.568 -0.341 1.879 1.00 21.43 C ATOM 1036 C GLY A 68 -9.789 0.535 1.685 1.00 41.53 C ATOM 1037 O GLY A 68 -10.686 0.557 2.527 1.00 55.22 O ATOM 0 H GLY A 68 -6.773 -0.199 0.808 1.00 60.33 H new ATOM 0 HA2 GLY A 68 -8.688 -1.258 1.303 1.00 21.43 H new ATOM 0 HA3 GLY A 68 -8.495 -0.630 2.927 1.00 21.43 H new ATOM 1041 N SER A 69 -9.823 1.262 0.572 1.00 24.01 N ATOM 1042 CA SER A 69 -10.940 2.149 0.272 1.00 11.42 C ATOM 1043 C SER A 69 -12.173 1.350 -0.140 1.00 42.50 C ATOM 1044 O SER A 69 -13.300 1.835 -0.047 1.00 61.24 O ATOM 1045 CB SER A 69 -10.557 3.128 -0.840 1.00 15.24 C ATOM 1046 OG SER A 69 -10.068 2.441 -1.978 1.00 75.22 O ATOM 0 H SER A 69 -9.089 1.254 -0.137 1.00 24.01 H new ATOM 0 HA SER A 69 -11.178 2.711 1.175 1.00 11.42 H new ATOM 0 HB2 SER A 69 -11.425 3.726 -1.117 1.00 15.24 H new ATOM 0 HB3 SER A 69 -9.798 3.819 -0.475 1.00 15.24 H new ATOM 0 HG SER A 69 -9.089 2.419 -1.951 1.00 75.22 H new ATOM 1052 N GLY A 70 -11.949 0.122 -0.596 1.00 62.33 N ATOM 1053 CA GLY A 70 -13.049 -0.726 -1.016 1.00 54.34 C ATOM 1054 C GLY A 70 -13.162 -0.825 -2.525 1.00 4.22 C ATOM 1055 O GLY A 70 -14.124 -1.388 -3.048 1.00 64.14 O ATOM 0 H GLY A 70 -11.025 -0.301 -0.682 1.00 62.33 H new ATOM 0 HA2 GLY A 70 -12.914 -1.724 -0.599 1.00 54.34 H new ATOM 0 HA3 GLY A 70 -13.981 -0.334 -0.610 1.00 54.34 H new ATOM 1059 N THR A 71 -12.176 -0.275 -3.228 1.00 13.54 N ATOM 1060 CA THR A 71 -12.170 -0.301 -4.685 1.00 2.32 C ATOM 1061 C THR A 71 -10.747 -0.252 -5.229 1.00 42.21 C ATOM 1062 O THR A 71 -9.825 0.193 -4.545 1.00 64.42 O ATOM 1063 CB THR A 71 -12.972 0.876 -5.271 1.00 75.24 C ATOM 1064 OG1 THR A 71 -12.857 2.021 -4.420 1.00 24.04 O ATOM 1065 CG2 THR A 71 -14.439 0.504 -5.433 1.00 24.45 C ATOM 0 H THR A 71 -11.372 0.194 -2.811 1.00 13.54 H new ATOM 0 HA THR A 71 -12.640 -1.237 -4.987 1.00 2.32 H new ATOM 0 HB THR A 71 -12.562 1.112 -6.253 1.00 75.24 H new ATOM 0 HG1 THR A 71 -13.369 2.765 -4.801 1.00 24.04 H new ATOM 0 HG21 THR A 71 -14.985 1.351 -5.848 1.00 24.45 H new ATOM 0 HG22 THR A 71 -14.526 -0.349 -6.106 1.00 24.45 H new ATOM 0 HG23 THR A 71 -14.858 0.244 -4.461 1.00 24.45 H new ATOM 1073 N VAL A 72 -10.575 -0.711 -6.465 1.00 4.32 N ATOM 1074 CA VAL A 72 -9.263 -0.717 -7.102 1.00 73.40 C ATOM 1075 C VAL A 72 -9.048 0.545 -7.930 1.00 20.34 C ATOM 1076 O VAL A 72 -9.881 0.903 -8.763 1.00 22.33 O ATOM 1077 CB VAL A 72 -9.086 -1.949 -8.009 1.00 74.54 C ATOM 1078 CG1 VAL A 72 -7.995 -1.702 -9.040 1.00 14.31 C ATOM 1079 CG2 VAL A 72 -8.774 -3.184 -7.176 1.00 53.55 C ATOM 0 H VAL A 72 -11.327 -1.083 -7.045 1.00 4.32 H new ATOM 0 HA VAL A 72 -8.523 -0.754 -6.303 1.00 73.40 H new ATOM 0 HB VAL A 72 -10.021 -2.124 -8.540 1.00 74.54 H new ATOM 0 HG11 VAL A 72 -7.885 -2.584 -9.671 1.00 14.31 H new ATOM 0 HG12 VAL A 72 -8.265 -0.845 -9.657 1.00 14.31 H new ATOM 0 HG13 VAL A 72 -7.052 -1.500 -8.531 1.00 14.31 H new ATOM 0 HG21 VAL A 72 -8.652 -4.045 -7.833 1.00 53.55 H new ATOM 0 HG22 VAL A 72 -7.853 -3.022 -6.616 1.00 53.55 H new ATOM 0 HG23 VAL A 72 -9.593 -3.371 -6.481 1.00 53.55 H new ATOM 1089 N ASP A 73 -7.925 1.215 -7.695 1.00 33.11 N ATOM 1090 CA ASP A 73 -7.599 2.437 -8.420 1.00 2.41 C ATOM 1091 C ASP A 73 -6.648 2.146 -9.577 1.00 31.43 C ATOM 1092 O ASP A 73 -6.344 0.988 -9.868 1.00 15.43 O ATOM 1093 CB ASP A 73 -6.972 3.464 -7.475 1.00 53.12 C ATOM 1094 CG ASP A 73 -5.713 2.946 -6.810 1.00 23.33 C ATOM 1095 OD1 ASP A 73 -4.710 2.733 -7.523 1.00 31.33 O ATOM 1096 OD2 ASP A 73 -5.730 2.752 -5.576 1.00 23.02 O ATOM 0 H ASP A 73 -7.226 0.932 -7.008 1.00 33.11 H new ATOM 0 HA ASP A 73 -8.524 2.846 -8.827 1.00 2.41 H new ATOM 0 HB2 ASP A 73 -6.738 4.371 -8.032 1.00 53.12 H new ATOM 0 HB3 ASP A 73 -7.697 3.739 -6.709 1.00 53.12 H new ATOM 1101 N PHE A 74 -6.182 3.202 -10.234 1.00 11.41 N ATOM 1102 CA PHE A 74 -5.268 3.060 -11.361 1.00 25.23 C ATOM 1103 C PHE A 74 -4.026 2.270 -10.957 1.00 3.53 C ATOM 1104 O PHE A 74 -3.687 1.264 -11.579 1.00 72.32 O ATOM 1105 CB PHE A 74 -4.861 4.436 -11.892 1.00 25.21 C ATOM 1106 CG PHE A 74 -4.813 4.509 -13.391 1.00 43.34 C ATOM 1107 CD1 PHE A 74 -4.440 3.405 -14.141 1.00 11.03 C ATOM 1108 CD2 PHE A 74 -5.141 5.682 -14.051 1.00 43.55 C ATOM 1109 CE1 PHE A 74 -4.395 3.470 -15.520 1.00 45.45 C ATOM 1110 CE2 PHE A 74 -5.097 5.754 -15.431 1.00 74.32 C ATOM 1111 CZ PHE A 74 -4.725 4.646 -16.167 1.00 22.34 C ATOM 0 H PHE A 74 -6.422 4.167 -10.005 1.00 11.41 H new ATOM 0 HA PHE A 74 -5.785 2.513 -12.149 1.00 25.23 H new ATOM 0 HB2 PHE A 74 -5.564 5.182 -11.522 1.00 25.21 H new ATOM 0 HB3 PHE A 74 -3.881 4.696 -11.492 1.00 25.21 H new ATOM 0 HD1 PHE A 74 -4.181 2.483 -13.641 1.00 11.03 H new ATOM 0 HD2 PHE A 74 -5.435 6.551 -13.481 1.00 43.55 H new ATOM 0 HE1 PHE A 74 -4.102 2.602 -16.092 1.00 45.45 H new ATOM 0 HE2 PHE A 74 -5.353 6.675 -15.933 1.00 74.32 H new ATOM 0 HZ PHE A 74 -4.692 4.698 -17.245 1.00 22.34 H new ATOM 1121 N ASP A 75 -3.351 2.735 -9.911 1.00 40.41 N ATOM 1122 CA ASP A 75 -2.147 2.074 -9.423 1.00 23.33 C ATOM 1123 C ASP A 75 -2.435 0.621 -9.059 1.00 23.45 C ATOM 1124 O ASP A 75 -1.844 -0.299 -9.624 1.00 31.14 O ATOM 1125 CB ASP A 75 -1.588 2.816 -8.207 1.00 74.05 C ATOM 1126 CG ASP A 75 -1.303 4.276 -8.501 1.00 70.45 C ATOM 1127 OD1 ASP A 75 -0.323 4.555 -9.223 1.00 5.20 O ATOM 1128 OD2 ASP A 75 -2.061 5.138 -8.011 1.00 4.32 O ATOM 0 H ASP A 75 -3.618 3.567 -9.385 1.00 40.41 H new ATOM 0 HA ASP A 75 -1.405 2.090 -10.221 1.00 23.33 H new ATOM 0 HB2 ASP A 75 -2.299 2.746 -7.384 1.00 74.05 H new ATOM 0 HB3 ASP A 75 -0.670 2.329 -7.878 1.00 74.05 H new ATOM 1133 N GLU A 76 -3.345 0.423 -8.110 1.00 74.45 N ATOM 1134 CA GLU A 76 -3.710 -0.919 -7.670 1.00 44.12 C ATOM 1135 C GLU A 76 -4.077 -1.801 -8.860 1.00 22.10 C ATOM 1136 O GLU A 76 -3.743 -2.985 -8.894 1.00 62.52 O ATOM 1137 CB GLU A 76 -4.880 -0.857 -6.687 1.00 12.12 C ATOM 1138 CG GLU A 76 -4.458 -0.571 -5.255 1.00 53.04 C ATOM 1139 CD GLU A 76 -5.513 0.192 -4.478 1.00 21.14 C ATOM 1140 OE1 GLU A 76 -6.714 -0.083 -4.679 1.00 52.33 O ATOM 1141 OE2 GLU A 76 -5.136 1.064 -3.667 1.00 32.35 O ATOM 0 H GLU A 76 -3.843 1.174 -7.632 1.00 74.45 H new ATOM 0 HA GLU A 76 -2.847 -1.356 -7.169 1.00 44.12 H new ATOM 0 HB2 GLU A 76 -5.577 -0.084 -7.013 1.00 12.12 H new ATOM 0 HB3 GLU A 76 -5.418 -1.804 -6.716 1.00 12.12 H new ATOM 0 HG2 GLU A 76 -4.248 -1.512 -4.747 1.00 53.04 H new ATOM 0 HG3 GLU A 76 -3.531 0.002 -5.261 1.00 53.04 H new ATOM 1148 N TRP A 77 -4.766 -1.215 -9.832 1.00 61.44 N ATOM 1149 CA TRP A 77 -5.180 -1.948 -11.024 1.00 5.20 C ATOM 1150 C TRP A 77 -3.976 -2.304 -11.889 1.00 63.10 C ATOM 1151 O TRP A 77 -3.964 -3.338 -12.558 1.00 24.51 O ATOM 1152 CB TRP A 77 -6.179 -1.121 -11.835 1.00 2.13 C ATOM 1153 CG TRP A 77 -6.821 -1.891 -12.948 1.00 55.25 C ATOM 1154 CD1 TRP A 77 -8.037 -2.512 -12.920 1.00 71.52 C ATOM 1155 CD2 TRP A 77 -6.281 -2.122 -14.254 1.00 3.02 C ATOM 1156 NE1 TRP A 77 -8.285 -3.116 -14.129 1.00 64.34 N ATOM 1157 CE2 TRP A 77 -7.223 -2.891 -14.965 1.00 1.30 C ATOM 1158 CE3 TRP A 77 -5.094 -1.753 -14.892 1.00 5.21 C ATOM 1159 CZ2 TRP A 77 -7.012 -3.296 -16.280 1.00 62.21 C ATOM 1160 CZ3 TRP A 77 -4.885 -2.156 -16.197 1.00 74.30 C ATOM 1161 CH2 TRP A 77 -5.841 -2.921 -16.880 1.00 43.32 C ATOM 0 H TRP A 77 -5.050 -0.235 -9.819 1.00 61.44 H new ATOM 0 HA TRP A 77 -5.660 -2.873 -10.703 1.00 5.20 H new ATOM 0 HB2 TRP A 77 -6.955 -0.745 -11.168 1.00 2.13 H new ATOM 0 HB3 TRP A 77 -5.668 -0.253 -12.251 1.00 2.13 H new ATOM 0 HD1 TRP A 77 -8.706 -2.526 -12.072 1.00 71.52 H new ATOM 0 HE1 TRP A 77 -9.124 -3.646 -14.366 1.00 64.34 H new ATOM 0 HE3 TRP A 77 -4.353 -1.163 -14.374 1.00 5.21 H new ATOM 0 HZ2 TRP A 77 -7.747 -3.886 -16.808 1.00 62.21 H new ATOM 0 HZ3 TRP A 77 -3.970 -1.877 -16.699 1.00 74.30 H new ATOM 0 HH2 TRP A 77 -5.649 -3.220 -17.900 1.00 43.32 H new ATOM 1172 N LEU A 78 -2.965 -1.443 -11.872 1.00 4.31 N ATOM 1173 CA LEU A 78 -1.755 -1.667 -12.655 1.00 64.43 C ATOM 1174 C LEU A 78 -0.893 -2.757 -12.026 1.00 4.15 C ATOM 1175 O LEU A 78 -0.448 -3.682 -12.705 1.00 44.34 O ATOM 1176 CB LEU A 78 -0.952 -0.371 -12.774 1.00 1.34 C ATOM 1177 CG LEU A 78 -0.902 0.264 -14.164 1.00 34.30 C ATOM 1178 CD1 LEU A 78 -1.890 1.416 -14.260 1.00 72.04 C ATOM 1179 CD2 LEU A 78 0.507 0.739 -14.483 1.00 44.15 C ATOM 0 H LEU A 78 -2.959 -0.583 -11.324 1.00 4.31 H new ATOM 0 HA LEU A 78 -2.053 -1.994 -13.651 1.00 64.43 H new ATOM 0 HB2 LEU A 78 -1.371 0.357 -12.079 1.00 1.34 H new ATOM 0 HB3 LEU A 78 0.070 -0.570 -12.451 1.00 1.34 H new ATOM 0 HG LEU A 78 -1.184 -0.491 -14.898 1.00 34.30 H new ATOM 0 HD11 LEU A 78 -1.840 1.856 -15.256 1.00 72.04 H new ATOM 0 HD12 LEU A 78 -2.899 1.046 -14.076 1.00 72.04 H new ATOM 0 HD13 LEU A 78 -1.640 2.173 -13.516 1.00 72.04 H new ATOM 0 HD21 LEU A 78 0.523 1.188 -15.476 1.00 44.15 H new ATOM 0 HD22 LEU A 78 0.817 1.479 -13.745 1.00 44.15 H new ATOM 0 HD23 LEU A 78 1.191 -0.109 -14.457 1.00 44.15 H new ATOM 1191 N VAL A 79 -0.662 -2.642 -10.721 1.00 74.33 N ATOM 1192 CA VAL A 79 0.143 -3.619 -9.999 1.00 4.05 C ATOM 1193 C VAL A 79 -0.482 -5.008 -10.069 1.00 41.42 C ATOM 1194 O VAL A 79 0.217 -6.018 -9.998 1.00 73.13 O ATOM 1195 CB VAL A 79 0.316 -3.220 -8.521 1.00 24.52 C ATOM 1196 CG1 VAL A 79 1.136 -1.945 -8.404 1.00 45.31 C ATOM 1197 CG2 VAL A 79 -1.040 -3.055 -7.852 1.00 23.43 C ATOM 0 H VAL A 79 -1.021 -1.882 -10.143 1.00 74.33 H new ATOM 0 HA VAL A 79 1.121 -3.640 -10.480 1.00 4.05 H new ATOM 0 HB VAL A 79 0.854 -4.017 -8.008 1.00 24.52 H new ATOM 0 HG11 VAL A 79 1.247 -1.679 -7.353 1.00 45.31 H new ATOM 0 HG12 VAL A 79 2.120 -2.104 -8.844 1.00 45.31 H new ATOM 0 HG13 VAL A 79 0.629 -1.137 -8.931 1.00 45.31 H new ATOM 0 HG21 VAL A 79 -0.899 -2.773 -6.809 1.00 23.43 H new ATOM 0 HG22 VAL A 79 -1.606 -2.277 -8.365 1.00 23.43 H new ATOM 0 HG23 VAL A 79 -1.588 -3.996 -7.903 1.00 23.43 H new ATOM 1207 N MET A 80 -1.803 -5.049 -10.210 1.00 22.21 N ATOM 1208 CA MET A 80 -2.523 -6.315 -10.292 1.00 44.22 C ATOM 1209 C MET A 80 -1.908 -7.222 -11.354 1.00 12.33 C ATOM 1210 O MET A 80 -1.660 -8.402 -11.107 1.00 12.50 O ATOM 1211 CB MET A 80 -3.999 -6.067 -10.609 1.00 3.22 C ATOM 1212 CG MET A 80 -4.883 -6.006 -9.374 1.00 52.01 C ATOM 1213 SD MET A 80 -6.611 -6.372 -9.739 1.00 2.15 S ATOM 1214 CE MET A 80 -6.843 -5.438 -11.249 1.00 71.44 C ATOM 0 H MET A 80 -2.396 -4.221 -10.270 1.00 22.21 H new ATOM 0 HA MET A 80 -2.445 -6.812 -9.325 1.00 44.22 H new ATOM 0 HB2 MET A 80 -4.092 -5.131 -11.159 1.00 3.22 H new ATOM 0 HB3 MET A 80 -4.359 -6.859 -11.265 1.00 3.22 H new ATOM 0 HG2 MET A 80 -4.514 -6.715 -8.632 1.00 52.01 H new ATOM 0 HG3 MET A 80 -4.812 -5.013 -8.929 1.00 52.01 H new ATOM 0 HE1 MET A 80 -7.831 -4.979 -11.244 1.00 71.44 H new ATOM 0 HE2 MET A 80 -6.082 -4.661 -11.317 1.00 71.44 H new ATOM 0 HE3 MET A 80 -6.757 -6.105 -12.106 1.00 71.44 H new ATOM 1224 N MET A 81 -1.666 -6.663 -12.535 1.00 5.33 N ATOM 1225 CA MET A 81 -1.079 -7.422 -13.633 1.00 52.01 C ATOM 1226 C MET A 81 0.361 -7.813 -13.316 1.00 33.10 C ATOM 1227 O MET A 81 0.762 -8.958 -13.522 1.00 44.22 O ATOM 1228 CB MET A 81 -1.125 -6.607 -14.927 1.00 14.32 C ATOM 1229 CG MET A 81 -1.487 -7.431 -16.152 1.00 14.42 C ATOM 1230 SD MET A 81 -3.240 -7.850 -16.214 1.00 21.45 S ATOM 1231 CE MET A 81 -3.977 -6.219 -16.276 1.00 63.02 C ATOM 0 H MET A 81 -1.867 -5.688 -12.756 1.00 5.33 H new ATOM 0 HA MET A 81 -1.663 -8.333 -13.764 1.00 52.01 H new ATOM 0 HB2 MET A 81 -1.851 -5.802 -14.814 1.00 14.32 H new ATOM 0 HB3 MET A 81 -0.153 -6.140 -15.087 1.00 14.32 H new ATOM 0 HG2 MET A 81 -1.218 -6.876 -17.051 1.00 14.42 H new ATOM 0 HG3 MET A 81 -0.898 -8.348 -16.155 1.00 14.42 H new ATOM 0 HE1 MET A 81 -4.965 -6.283 -16.733 1.00 63.02 H new ATOM 0 HE2 MET A 81 -4.070 -5.823 -15.265 1.00 63.02 H new ATOM 0 HE3 MET A 81 -3.346 -5.557 -16.868 1.00 63.02 H new ATOM 1241 N ALA A 82 1.133 -6.855 -12.814 1.00 14.21 N ATOM 1242 CA ALA A 82 2.527 -7.100 -12.467 1.00 71.21 C ATOM 1243 C ALA A 82 2.649 -8.230 -11.450 1.00 71.13 C ATOM 1244 O ALA A 82 3.645 -8.954 -11.429 1.00 54.21 O ATOM 1245 CB ALA A 82 3.168 -5.830 -11.927 1.00 72.22 C ATOM 0 H ALA A 82 0.816 -5.901 -12.639 1.00 14.21 H new ATOM 0 HA ALA A 82 3.053 -7.403 -13.372 1.00 71.21 H new ATOM 0 HB1 ALA A 82 4.209 -6.028 -11.672 1.00 72.22 H new ATOM 0 HB2 ALA A 82 3.123 -5.049 -12.686 1.00 72.22 H new ATOM 0 HB3 ALA A 82 2.632 -5.502 -11.036 1.00 72.22 H new ATOM 1251 N ARG A 83 1.631 -8.375 -10.609 1.00 33.04 N ATOM 1252 CA ARG A 83 1.625 -9.416 -9.588 1.00 24.10 C ATOM 1253 C ARG A 83 1.645 -10.802 -10.225 1.00 63.43 C ATOM 1254 O ARG A 83 2.086 -11.774 -9.609 1.00 14.51 O ATOM 1255 CB ARG A 83 0.395 -9.273 -8.690 1.00 62.40 C ATOM 1256 CG ARG A 83 0.211 -10.430 -7.721 1.00 51.12 C ATOM 1257 CD ARG A 83 -1.077 -10.290 -6.925 1.00 52.02 C ATOM 1258 NE ARG A 83 -0.840 -10.350 -5.485 1.00 72.13 N ATOM 1259 CZ ARG A 83 -1.788 -10.623 -4.595 1.00 63.54 C ATOM 1260 NH1 ARG A 83 -3.029 -10.861 -4.996 1.00 12.04 N ATOM 1261 NH2 ARG A 83 -1.494 -10.660 -3.302 1.00 20.11 N ATOM 0 H ARG A 83 0.799 -7.785 -10.614 1.00 33.04 H new ATOM 0 HA ARG A 83 2.524 -9.301 -8.982 1.00 24.10 H new ATOM 0 HB2 ARG A 83 0.475 -8.345 -8.124 1.00 62.40 H new ATOM 0 HB3 ARG A 83 -0.494 -9.189 -9.316 1.00 62.40 H new ATOM 0 HG2 ARG A 83 0.199 -11.370 -8.273 1.00 51.12 H new ATOM 0 HG3 ARG A 83 1.059 -10.473 -7.038 1.00 51.12 H new ATOM 0 HD2 ARG A 83 -1.556 -9.343 -7.174 1.00 52.02 H new ATOM 0 HD3 ARG A 83 -1.768 -11.082 -7.212 1.00 52.02 H new ATOM 0 HE ARG A 83 0.105 -10.173 -5.144 1.00 72.13 H new ATOM 0 HH11 ARG A 83 -3.258 -10.835 -5.990 1.00 12.04 H new ATOM 0 HH12 ARG A 83 -3.755 -11.070 -4.311 1.00 12.04 H new ATOM 0 HH21 ARG A 83 -0.540 -10.479 -2.991 1.00 20.11 H new ATOM 0 HH22 ARG A 83 -2.222 -10.870 -2.619 1.00 20.11 H new ATOM 1275 N CYS A 84 1.165 -10.886 -11.461 1.00 65.41 N ATOM 1276 CA CYS A 84 1.127 -12.154 -12.182 1.00 32.13 C ATOM 1277 C CYS A 84 2.533 -12.609 -12.557 1.00 23.32 C ATOM 1278 O CYS A 84 2.784 -13.801 -12.735 1.00 54.12 O ATOM 1279 CB CYS A 84 0.267 -12.023 -13.440 1.00 24.20 C ATOM 1280 SG CYS A 84 -0.381 -13.594 -14.058 1.00 2.02 S ATOM 0 H CYS A 84 0.797 -10.092 -11.985 1.00 65.41 H new ATOM 0 HA CYS A 84 0.686 -12.904 -11.526 1.00 32.13 H new ATOM 0 HB2 CYS A 84 -0.568 -11.356 -13.228 1.00 24.20 H new ATOM 0 HB3 CYS A 84 0.859 -11.553 -14.225 1.00 24.20 H new ATOM 0 HG CYS A 84 -1.097 -13.380 -15.122 1.00 2.02 H new ATOM 1286 N MET A 85 3.447 -11.652 -12.676 1.00 64.03 N ATOM 1287 CA MET A 85 4.829 -11.955 -13.031 1.00 20.10 C ATOM 1288 C MET A 85 5.596 -12.487 -11.824 1.00 51.14 C ATOM 1289 O MET A 85 6.487 -13.325 -11.962 1.00 43.13 O ATOM 1290 CB MET A 85 5.522 -10.707 -13.581 1.00 64.21 C ATOM 1291 CG MET A 85 4.896 -10.179 -14.862 1.00 4.25 C ATOM 1292 SD MET A 85 6.081 -9.309 -15.906 1.00 51.12 S ATOM 1293 CE MET A 85 5.485 -9.753 -17.536 1.00 24.41 C ATOM 0 H MET A 85 3.256 -10.660 -12.532 1.00 64.03 H new ATOM 0 HA MET A 85 4.820 -12.726 -13.802 1.00 20.10 H new ATOM 0 HB2 MET A 85 5.496 -9.923 -12.824 1.00 64.21 H new ATOM 0 HB3 MET A 85 6.571 -10.936 -13.767 1.00 64.21 H new ATOM 0 HG2 MET A 85 4.466 -11.010 -15.421 1.00 4.25 H new ATOM 0 HG3 MET A 85 4.076 -9.506 -14.611 1.00 4.25 H new ATOM 0 HE1 MET A 85 6.117 -9.289 -18.293 1.00 24.41 H new ATOM 0 HE2 MET A 85 5.515 -10.836 -17.652 1.00 24.41 H new ATOM 0 HE3 MET A 85 4.460 -9.404 -17.656 1.00 24.41 H new ATOM 1303 N LYS A 86 5.244 -11.995 -10.641 1.00 40.34 N ATOM 1304 CA LYS A 86 5.898 -12.420 -9.410 1.00 30.52 C ATOM 1305 C LYS A 86 7.411 -12.491 -9.593 1.00 74.43 C ATOM 1306 O LYS A 86 8.068 -13.390 -9.067 1.00 53.13 O ATOM 1307 CB LYS A 86 5.363 -13.785 -8.969 1.00 55.31 C ATOM 1308 CG LYS A 86 5.368 -13.983 -7.463 1.00 52.41 C ATOM 1309 CD LYS A 86 3.964 -13.913 -6.887 1.00 34.43 C ATOM 1310 CE LYS A 86 3.984 -13.934 -5.366 1.00 32.40 C ATOM 1311 NZ LYS A 86 4.818 -12.834 -4.807 1.00 75.40 N ATOM 0 H LYS A 86 4.508 -11.301 -10.509 1.00 40.34 H new ATOM 0 HA LYS A 86 5.677 -11.683 -8.638 1.00 30.52 H new ATOM 0 HB2 LYS A 86 4.345 -13.904 -9.339 1.00 55.31 H new ATOM 0 HB3 LYS A 86 5.964 -14.568 -9.432 1.00 55.31 H new ATOM 0 HG2 LYS A 86 5.813 -14.949 -7.224 1.00 52.41 H new ATOM 0 HG3 LYS A 86 5.992 -13.220 -6.997 1.00 52.41 H new ATOM 0 HD2 LYS A 86 3.473 -13.004 -7.233 1.00 34.43 H new ATOM 0 HD3 LYS A 86 3.376 -14.753 -7.256 1.00 34.43 H new ATOM 0 HE2 LYS A 86 2.965 -13.845 -4.988 1.00 32.40 H new ATOM 0 HE3 LYS A 86 4.370 -14.893 -5.021 1.00 32.40 H new ATOM 0 HZ1 LYS A 86 4.792 -12.872 -3.768 1.00 75.40 H new ATOM 0 HZ2 LYS A 86 5.800 -12.942 -5.133 1.00 75.40 H new ATOM 0 HZ3 LYS A 86 4.445 -11.918 -5.129 1.00 75.40 H new ATOM 1325 N ASP A 87 7.956 -11.539 -10.341 1.00 5.30 N ATOM 1326 CA ASP A 87 9.392 -11.492 -10.592 1.00 3.15 C ATOM 1327 C ASP A 87 10.147 -11.036 -9.346 1.00 74.33 C ATOM 1328 O ASP A 87 10.445 -9.853 -9.188 1.00 4.51 O ATOM 1329 CB ASP A 87 9.697 -10.553 -11.760 1.00 25.12 C ATOM 1330 CG ASP A 87 10.978 -10.924 -12.481 1.00 62.13 C ATOM 1331 OD1 ASP A 87 11.166 -12.123 -12.777 1.00 3.50 O ATOM 1332 OD2 ASP A 87 11.793 -10.016 -12.750 1.00 32.14 O ATOM 0 H ASP A 87 7.426 -10.789 -10.784 1.00 5.30 H new ATOM 0 HA ASP A 87 9.724 -12.498 -10.849 1.00 3.15 H new ATOM 0 HB2 ASP A 87 8.867 -10.574 -12.466 1.00 25.12 H new ATOM 0 HB3 ASP A 87 9.775 -9.531 -11.390 1.00 25.12 H new ATOM 1337 N ASP A 88 10.450 -11.983 -8.465 1.00 62.14 N ATOM 1338 CA ASP A 88 11.170 -11.679 -7.234 1.00 33.32 C ATOM 1339 C ASP A 88 12.663 -11.943 -7.398 1.00 2.22 C ATOM 1340 O ASP A 88 13.081 -13.075 -7.640 1.00 30.24 O ATOM 1341 CB ASP A 88 10.616 -12.512 -6.076 1.00 43.22 C ATOM 1342 CG ASP A 88 10.809 -14.000 -6.289 1.00 63.35 C ATOM 1343 OD1 ASP A 88 9.999 -14.605 -7.023 1.00 13.04 O ATOM 1344 OD2 ASP A 88 11.771 -14.560 -5.724 1.00 63.41 O ATOM 0 H ASP A 88 10.208 -12.967 -8.580 1.00 62.14 H new ATOM 0 HA ASP A 88 11.029 -10.621 -7.011 1.00 33.32 H new ATOM 0 HB2 ASP A 88 11.108 -12.214 -5.150 1.00 43.22 H new ATOM 0 HB3 ASP A 88 9.554 -12.300 -5.955 1.00 43.22 H new ATOM 1349 N SER A 89 13.463 -10.889 -7.266 1.00 31.44 N ATOM 1350 CA SER A 89 14.910 -11.006 -7.404 1.00 11.10 C ATOM 1351 C SER A 89 15.548 -11.444 -6.089 1.00 73.22 C ATOM 1352 O SER A 89 15.781 -10.603 -5.222 1.00 70.51 O ATOM 1353 CB SER A 89 15.509 -9.673 -7.855 1.00 43.42 C ATOM 1354 OG SER A 89 16.920 -9.678 -7.726 1.00 25.13 O ATOM 0 H SER A 89 13.133 -9.945 -7.064 1.00 31.44 H new ATOM 0 HA SER A 89 15.118 -11.764 -8.159 1.00 11.10 H new ATOM 0 HB2 SER A 89 15.236 -9.481 -8.893 1.00 43.42 H new ATOM 0 HB3 SER A 89 15.089 -8.862 -7.260 1.00 43.42 H new ATOM 0 HG SER A 89 17.279 -8.815 -8.022 1.00 25.13 H new TER 1360 SER A 89 HETATM 1361 CA CA A 90 -7.807 1.495 -3.156 1.00 23.14 CA