USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 608 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 64 ASN : amide:sc= 0.23 K(o=1.2,f=-1.2) USER MOD Set 1.2: A 66 THR OG1 : rot 180:sc= 0.943 USER MOD Set 2.1: A 6 TYR OH : rot 51:sc= -0.446 USER MOD Set 2.2: A 14 THR OG1 : rot 75:sc= 1.65 USER MOD Set 2.3: A 38 TYR OH : rot -158:sc= 1.06 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -171:sc= 0 (180deg=-0.0295) USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.0343 USER MOD Single : A 7 TYR OH : rot 104:sc= 1.7 USER MOD Single : A 9 THR OG1 : rot 180:sc= -1.04 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ -169:sc= -0.0283 (180deg=-0.205) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.167 K(o=-0.17,f=-1) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.0576) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 160:sc= -0.541 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc=-0.00825 K(o=-0.0083,f=-1.4!) USER MOD Single : A 46 MET CE :methyl 172:sc= -15.3! (180deg=-15.4!) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= 0 K(o=0,f=-2.8!) USER MOD Single : A 51 ASN : amide:sc= -0.149 X(o=-0.15,f=-0.15) USER MOD Single : A 54 LYS NZ :NH3+ -120:sc= 0 (180deg=-0.0957) USER MOD Single : A 55 ASN : amide:sc= -1.4 X(o=-1.4,f=-1.6) USER MOD Single : A 61 ASN :FLIP amide:sc= -0.723 F(o=-2,f=-0.72) USER MOD Single : A 63 ASN : amide:sc= 0.794 K(o=0.79,f=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.044) USER MOD Single : A 73 THR OG1 : rot 53:sc= -0.0729 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0559) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.252 12.035 7.062 1.00 71.31 N ATOM 2 CA MET A 1 -1.480 10.917 7.591 1.00 51.22 C ATOM 3 C MET A 1 -2.123 9.586 7.217 1.00 32.30 C ATOM 4 O MET A 1 -3.340 9.425 7.310 1.00 51.35 O ATOM 5 CB MET A 1 -1.360 11.028 9.113 1.00 13.22 C ATOM 6 CG MET A 1 -0.801 9.778 9.772 1.00 62.54 C ATOM 7 SD MET A 1 -0.071 10.111 11.386 1.00 1.12 S ATOM 8 CE MET A 1 -1.542 10.358 12.378 1.00 53.33 C ATOM 0 H1 MET A 1 -1.720 12.918 7.196 1.00 71.31 H new ATOM 0 H2 MET A 1 -2.428 11.887 6.048 1.00 71.31 H new ATOM 0 H3 MET A 1 -3.160 12.099 7.565 1.00 71.31 H new ATOM 0 HA MET A 1 -0.484 10.955 7.150 1.00 51.22 H new ATOM 0 HB2 MET A 1 -0.719 11.875 9.358 1.00 13.22 H new ATOM 0 HB3 MET A 1 -2.343 11.241 9.532 1.00 13.22 H new ATOM 0 HG2 MET A 1 -1.598 9.043 9.883 1.00 62.54 H new ATOM 0 HG3 MET A 1 -0.047 9.335 9.121 1.00 62.54 H new ATOM 0 HE1 MET A 1 -1.255 10.574 13.407 1.00 53.33 H new ATOM 0 HE2 MET A 1 -2.115 11.195 11.978 1.00 53.33 H new ATOM 0 HE3 MET A 1 -2.153 9.456 12.354 1.00 53.33 H new ATOM 16 N VAL A 2 -1.298 8.635 6.791 1.00 61.12 N ATOM 17 CA VAL A 2 -1.786 7.317 6.402 1.00 44.20 C ATOM 18 C VAL A 2 -1.151 6.223 7.253 1.00 24.33 C ATOM 19 O VAL A 2 0.067 6.184 7.428 1.00 51.22 O ATOM 20 CB VAL A 2 -1.499 7.028 4.917 1.00 32.42 C ATOM 21 CG1 VAL A 2 -2.283 7.980 4.027 1.00 32.42 C ATOM 22 CG2 VAL A 2 -0.008 7.126 4.633 1.00 51.44 C ATOM 0 H VAL A 2 -0.288 8.753 6.706 1.00 61.12 H new ATOM 0 HA VAL A 2 -2.864 7.319 6.562 1.00 44.20 H new ATOM 0 HB VAL A 2 -1.821 6.011 4.694 1.00 32.42 H new ATOM 0 HG11 VAL A 2 -2.068 7.761 2.981 1.00 32.42 H new ATOM 0 HG12 VAL A 2 -3.350 7.855 4.212 1.00 32.42 H new ATOM 0 HG13 VAL A 2 -1.994 9.007 4.249 1.00 32.42 H new ATOM 0 HG21 VAL A 2 0.176 6.919 3.579 1.00 51.44 H new ATOM 0 HG22 VAL A 2 0.343 8.130 4.872 1.00 51.44 H new ATOM 0 HG23 VAL A 2 0.527 6.400 5.244 1.00 51.44 H new ATOM 32 N THR A 3 -1.986 5.332 7.781 1.00 21.41 N ATOM 33 CA THR A 3 -1.507 4.237 8.614 1.00 62.24 C ATOM 34 C THR A 3 -1.593 2.906 7.875 1.00 2.12 C ATOM 35 O THR A 3 -2.683 2.427 7.563 1.00 22.42 O ATOM 36 CB THR A 3 -2.310 4.136 9.924 1.00 54.33 C ATOM 37 OG1 THR A 3 -2.661 5.446 10.386 1.00 61.05 O ATOM 38 CG2 THR A 3 -1.506 3.414 10.997 1.00 32.14 C ATOM 0 H THR A 3 -2.997 5.348 7.646 1.00 21.41 H new ATOM 0 HA THR A 3 -0.465 4.452 8.850 1.00 62.24 H new ATOM 0 HB THR A 3 -3.217 3.566 9.725 1.00 54.33 H new ATOM 0 HG1 THR A 3 -3.173 5.373 11.218 1.00 61.05 H new ATOM 0 HG21 THR A 3 -2.093 3.355 11.913 1.00 32.14 H new ATOM 0 HG22 THR A 3 -1.264 2.408 10.655 1.00 32.14 H new ATOM 0 HG23 THR A 3 -0.584 3.962 11.192 1.00 32.14 H new ATOM 46 N VAL A 4 -0.436 2.312 7.599 1.00 50.23 N ATOM 47 CA VAL A 4 -0.381 1.034 6.899 1.00 22.31 C ATOM 48 C VAL A 4 0.192 -0.059 7.794 1.00 43.30 C ATOM 49 O VAL A 4 1.156 0.165 8.526 1.00 34.04 O ATOM 50 CB VAL A 4 0.469 1.132 5.619 1.00 21.41 C ATOM 51 CG1 VAL A 4 -0.204 2.037 4.598 1.00 72.34 C ATOM 52 CG2 VAL A 4 1.868 1.632 5.946 1.00 3.00 C ATOM 0 H VAL A 4 0.475 2.695 7.849 1.00 50.23 H new ATOM 0 HA VAL A 4 -1.405 0.777 6.628 1.00 22.31 H new ATOM 0 HB VAL A 4 0.556 0.136 5.184 1.00 21.41 H new ATOM 0 HG11 VAL A 4 0.412 2.094 3.700 1.00 72.34 H new ATOM 0 HG12 VAL A 4 -1.183 1.632 4.342 1.00 72.34 H new ATOM 0 HG13 VAL A 4 -0.324 3.035 5.019 1.00 72.34 H new ATOM 0 HG21 VAL A 4 2.455 1.695 5.030 1.00 3.00 H new ATOM 0 HG22 VAL A 4 1.804 2.619 6.405 1.00 3.00 H new ATOM 0 HG23 VAL A 4 2.349 0.941 6.638 1.00 3.00 H new ATOM 62 N ARG A 5 -0.408 -1.244 7.729 1.00 52.22 N ATOM 63 CA ARG A 5 0.042 -2.373 8.535 1.00 73.34 C ATOM 64 C ARG A 5 0.645 -3.463 7.653 1.00 4.21 C ATOM 65 O ARG A 5 0.253 -3.628 6.498 1.00 24.22 O ATOM 66 CB ARG A 5 -1.121 -2.943 9.347 1.00 0.42 C ATOM 67 CG ARG A 5 -1.463 -2.123 10.579 1.00 54.33 C ATOM 68 CD ARG A 5 -2.958 -2.136 10.860 1.00 54.01 C ATOM 69 NE ARG A 5 -3.400 -3.413 11.412 1.00 64.41 N ATOM 70 CZ ARG A 5 -3.153 -3.801 12.659 1.00 24.15 C ATOM 71 NH1 ARG A 5 -2.472 -3.014 13.478 1.00 13.24 N ATOM 72 NH2 ARG A 5 -3.590 -4.979 13.086 1.00 42.54 N ATOM 0 H ARG A 5 -1.206 -1.447 7.127 1.00 52.22 H new ATOM 0 HA ARG A 5 0.812 -2.016 9.219 1.00 73.34 H new ATOM 0 HB2 ARG A 5 -2.002 -3.008 8.708 1.00 0.42 H new ATOM 0 HB3 ARG A 5 -0.875 -3.959 9.654 1.00 0.42 H new ATOM 0 HG2 ARG A 5 -0.926 -2.519 11.441 1.00 54.33 H new ATOM 0 HG3 ARG A 5 -1.127 -1.096 10.438 1.00 54.33 H new ATOM 0 HD2 ARG A 5 -3.203 -1.335 11.558 1.00 54.01 H new ATOM 0 HD3 ARG A 5 -3.502 -1.932 9.938 1.00 54.01 H new ATOM 0 HE ARG A 5 -3.928 -4.042 10.807 1.00 64.41 H new ATOM 0 HH11 ARG A 5 -2.136 -2.108 13.152 1.00 13.24 H new ATOM 0 HH12 ARG A 5 -2.284 -3.314 14.435 1.00 13.24 H new ATOM 0 HH21 ARG A 5 -4.115 -5.587 12.457 1.00 42.54 H new ATOM 0 HH22 ARG A 5 -3.401 -5.277 14.043 1.00 42.54 H new ATOM 83 N TYR A 6 1.598 -4.204 8.207 1.00 71.50 N ATOM 84 CA TYR A 6 2.257 -5.277 7.471 1.00 21.22 C ATOM 85 C TYR A 6 2.470 -6.497 8.360 1.00 2.05 C ATOM 86 O TYR A 6 2.980 -6.387 9.475 1.00 13.33 O ATOM 87 CB TYR A 6 3.599 -4.795 6.918 1.00 73.41 C ATOM 88 CG TYR A 6 3.494 -3.545 6.074 1.00 22.43 C ATOM 89 CD1 TYR A 6 2.690 -3.514 4.940 1.00 73.55 C ATOM 90 CD2 TYR A 6 4.196 -2.394 6.410 1.00 31.24 C ATOM 91 CE1 TYR A 6 2.592 -2.374 4.166 1.00 3.33 C ATOM 92 CE2 TYR A 6 4.102 -1.249 5.642 1.00 44.34 C ATOM 93 CZ TYR A 6 3.298 -1.245 4.521 1.00 41.04 C ATOM 94 OH TYR A 6 3.201 -0.107 3.753 1.00 41.02 O ATOM 0 H TYR A 6 1.932 -4.082 9.163 1.00 71.50 H new ATOM 0 HA TYR A 6 1.611 -5.563 6.641 1.00 21.22 H new ATOM 0 HB2 TYR A 6 4.278 -4.605 7.750 1.00 73.41 H new ATOM 0 HB3 TYR A 6 4.042 -5.591 6.320 1.00 73.41 H new ATOM 0 HD1 TYR A 6 2.133 -4.396 4.660 1.00 73.55 H new ATOM 0 HD2 TYR A 6 4.826 -2.394 7.287 1.00 31.24 H new ATOM 0 HE1 TYR A 6 1.965 -2.368 3.287 1.00 3.33 H new ATOM 0 HE2 TYR A 6 4.654 -0.363 5.918 1.00 44.34 H new ATOM 0 HH TYR A 6 2.256 0.111 3.610 1.00 41.02 H new ATOM 103 N TYR A 7 2.075 -7.662 7.858 1.00 2.31 N ATOM 104 CA TYR A 7 2.219 -8.905 8.607 1.00 2.12 C ATOM 105 C TYR A 7 3.598 -9.518 8.384 1.00 43.32 C ATOM 106 O TYR A 7 4.430 -8.960 7.669 1.00 13.23 O ATOM 107 CB TYR A 7 1.134 -9.902 8.197 1.00 31.15 C ATOM 108 CG TYR A 7 -0.105 -9.839 9.061 1.00 75.11 C ATOM 109 CD1 TYR A 7 -0.719 -8.624 9.343 1.00 61.22 C ATOM 110 CD2 TYR A 7 -0.661 -10.993 9.596 1.00 10.53 C ATOM 111 CE1 TYR A 7 -1.850 -8.561 10.133 1.00 44.25 C ATOM 112 CE2 TYR A 7 -1.794 -10.941 10.387 1.00 33.22 C ATOM 113 CZ TYR A 7 -2.384 -9.722 10.653 1.00 63.42 C ATOM 114 OH TYR A 7 -3.512 -9.665 11.439 1.00 52.55 O ATOM 0 H TYR A 7 1.653 -7.772 6.936 1.00 2.31 H new ATOM 0 HA TYR A 7 2.110 -8.675 9.667 1.00 2.12 H new ATOM 0 HB2 TYR A 7 0.854 -9.715 7.160 1.00 31.15 H new ATOM 0 HB3 TYR A 7 1.545 -10.911 8.239 1.00 31.15 H new ATOM 0 HD1 TYR A 7 -0.304 -7.713 8.937 1.00 61.22 H new ATOM 0 HD2 TYR A 7 -0.201 -11.948 9.391 1.00 10.53 H new ATOM 0 HE1 TYR A 7 -2.314 -7.608 10.343 1.00 44.25 H new ATOM 0 HE2 TYR A 7 -2.215 -11.849 10.794 1.00 33.22 H new ATOM 0 HH TYR A 7 -4.287 -9.966 10.921 1.00 52.55 H new ATOM 123 N ALA A 8 3.833 -10.671 9.002 1.00 63.12 N ATOM 124 CA ALA A 8 5.109 -11.363 8.871 1.00 73.45 C ATOM 125 C ALA A 8 5.435 -11.639 7.407 1.00 74.53 C ATOM 126 O ALA A 8 6.597 -11.819 7.042 1.00 61.44 O ATOM 127 CB ALA A 8 5.091 -12.662 9.663 1.00 33.25 C ATOM 0 H ALA A 8 3.156 -11.146 9.599 1.00 63.12 H new ATOM 0 HA ALA A 8 5.887 -10.716 9.275 1.00 73.45 H new ATOM 0 HB1 ALA A 8 6.051 -13.167 9.555 1.00 33.25 H new ATOM 0 HB2 ALA A 8 4.912 -12.444 10.716 1.00 33.25 H new ATOM 0 HB3 ALA A 8 4.297 -13.307 9.286 1.00 33.25 H new ATOM 133 N THR A 9 4.402 -11.670 6.570 1.00 51.23 N ATOM 134 CA THR A 9 4.579 -11.925 5.147 1.00 23.11 C ATOM 135 C THR A 9 5.326 -10.781 4.471 1.00 0.24 C ATOM 136 O THR A 9 6.006 -10.979 3.464 1.00 73.34 O ATOM 137 CB THR A 9 3.226 -12.129 4.440 1.00 34.25 C ATOM 138 OG1 THR A 9 2.391 -10.983 4.642 1.00 12.25 O ATOM 139 CG2 THR A 9 2.523 -13.372 4.964 1.00 23.51 C ATOM 0 H THR A 9 3.434 -11.521 6.854 1.00 51.23 H new ATOM 0 HA THR A 9 5.167 -12.839 5.061 1.00 23.11 H new ATOM 0 HB THR A 9 3.414 -12.259 3.374 1.00 34.25 H new ATOM 0 HG1 THR A 9 1.533 -11.119 4.188 1.00 12.25 H new ATOM 0 HG21 THR A 9 1.570 -13.495 4.450 1.00 23.51 H new ATOM 0 HG22 THR A 9 3.148 -14.247 4.784 1.00 23.51 H new ATOM 0 HG23 THR A 9 2.347 -13.266 6.034 1.00 23.51 H new ATOM 147 N LEU A 10 5.195 -9.583 5.030 1.00 4.44 N ATOM 148 CA LEU A 10 5.857 -8.406 4.482 1.00 35.31 C ATOM 149 C LEU A 10 7.013 -7.966 5.375 1.00 14.54 C ATOM 150 O LEU A 10 7.553 -6.871 5.215 1.00 25.41 O ATOM 151 CB LEU A 10 4.856 -7.260 4.322 1.00 72.15 C ATOM 152 CG LEU A 10 3.926 -7.346 3.111 1.00 15.31 C ATOM 153 CD1 LEU A 10 2.928 -8.479 3.284 1.00 71.03 C ATOM 154 CD2 LEU A 10 3.203 -6.023 2.900 1.00 42.23 C ATOM 0 H LEU A 10 4.636 -9.402 5.863 1.00 4.44 H new ATOM 0 HA LEU A 10 6.258 -8.669 3.503 1.00 35.31 H new ATOM 0 HB2 LEU A 10 4.244 -7.210 5.222 1.00 72.15 H new ATOM 0 HB3 LEU A 10 5.412 -6.324 4.263 1.00 72.15 H new ATOM 0 HG LEU A 10 4.529 -7.553 2.227 1.00 15.31 H new ATOM 0 HD11 LEU A 10 2.275 -8.525 2.413 1.00 71.03 H new ATOM 0 HD12 LEU A 10 3.463 -9.423 3.386 1.00 71.03 H new ATOM 0 HD13 LEU A 10 2.329 -8.303 4.178 1.00 71.03 H new ATOM 0 HD21 LEU A 10 2.545 -6.102 2.034 1.00 42.23 H new ATOM 0 HD22 LEU A 10 2.612 -5.786 3.785 1.00 42.23 H new ATOM 0 HD23 LEU A 10 3.934 -5.232 2.730 1.00 42.23 H new ATOM 165 N ARG A 11 7.387 -8.825 6.316 1.00 44.30 N ATOM 166 CA ARG A 11 8.479 -8.527 7.235 1.00 33.13 C ATOM 167 C ARG A 11 9.778 -8.280 6.474 1.00 65.53 C ATOM 168 O ARG A 11 10.403 -7.225 6.585 1.00 22.14 O ATOM 169 CB ARG A 11 8.667 -9.674 8.228 1.00 42.54 C ATOM 170 CG ARG A 11 10.089 -9.801 8.749 1.00 45.25 C ATOM 171 CD ARG A 11 10.537 -8.535 9.462 1.00 54.03 C ATOM 172 NE ARG A 11 11.964 -8.557 9.773 1.00 63.23 N ATOM 173 CZ ARG A 11 12.550 -7.699 10.600 1.00 44.53 C ATOM 174 NH1 ARG A 11 11.835 -6.756 11.197 1.00 1.43 N ATOM 175 NH2 ARG A 11 13.854 -7.785 10.833 1.00 74.41 N ATOM 0 H ARG A 11 6.949 -9.735 6.463 1.00 44.30 H new ATOM 0 HA ARG A 11 8.221 -7.621 7.783 1.00 33.13 H new ATOM 0 HB2 ARG A 11 7.992 -9.528 9.071 1.00 42.54 H new ATOM 0 HB3 ARG A 11 8.380 -10.610 7.748 1.00 42.54 H new ATOM 0 HG2 ARG A 11 10.153 -10.647 9.433 1.00 45.25 H new ATOM 0 HG3 ARG A 11 10.764 -10.011 7.919 1.00 45.25 H new ATOM 0 HD2 ARG A 11 10.316 -7.670 8.837 1.00 54.03 H new ATOM 0 HD3 ARG A 11 9.967 -8.417 10.384 1.00 54.03 H new ATOM 0 HE ARG A 11 12.543 -9.271 9.330 1.00 63.23 H new ATOM 0 HH11 ARG A 11 10.832 -6.688 11.022 1.00 1.43 H new ATOM 0 HH12 ARG A 11 12.287 -6.098 11.832 1.00 1.43 H new ATOM 0 HH21 ARG A 11 14.407 -8.511 10.377 1.00 74.41 H new ATOM 0 HH22 ARG A 11 14.303 -7.125 11.468 1.00 74.41 H new ATOM 186 N PRO A 12 10.197 -9.278 5.680 1.00 50.35 N ATOM 187 CA PRO A 12 11.426 -9.195 4.885 1.00 32.14 C ATOM 188 C PRO A 12 11.305 -8.201 3.735 1.00 53.44 C ATOM 189 O PRO A 12 12.289 -7.896 3.059 1.00 45.44 O ATOM 190 CB PRO A 12 11.598 -10.617 4.347 1.00 5.02 C ATOM 191 CG PRO A 12 10.220 -11.186 4.332 1.00 14.43 C ATOM 192 CD PRO A 12 9.504 -10.565 5.500 1.00 32.12 C ATOM 0 HA PRO A 12 12.272 -8.844 5.477 1.00 32.14 H new ATOM 0 HB2 PRO A 12 12.035 -10.612 3.349 1.00 5.02 H new ATOM 0 HB3 PRO A 12 12.261 -11.203 4.983 1.00 5.02 H new ATOM 0 HG2 PRO A 12 9.712 -10.955 3.395 1.00 14.43 H new ATOM 0 HG3 PRO A 12 10.245 -12.272 4.422 1.00 14.43 H new ATOM 0 HD2 PRO A 12 8.443 -10.425 5.293 1.00 32.12 H new ATOM 0 HD3 PRO A 12 9.575 -11.188 6.392 1.00 32.12 H new ATOM 197 N ILE A 13 10.095 -7.697 3.519 1.00 0.03 N ATOM 198 CA ILE A 13 9.847 -6.736 2.452 1.00 33.20 C ATOM 199 C ILE A 13 9.890 -5.306 2.979 1.00 54.44 C ATOM 200 O ILE A 13 10.799 -4.539 2.656 1.00 71.33 O ATOM 201 CB ILE A 13 8.485 -6.981 1.778 1.00 25.24 C ATOM 202 CG1 ILE A 13 8.275 -8.477 1.534 1.00 12.32 C ATOM 203 CG2 ILE A 13 8.394 -6.208 0.471 1.00 21.25 C ATOM 204 CD1 ILE A 13 6.958 -8.800 0.864 1.00 5.45 C ATOM 0 H ILE A 13 9.271 -7.938 4.069 1.00 0.03 H new ATOM 0 HA ILE A 13 10.638 -6.873 1.715 1.00 33.20 H new ATOM 0 HB ILE A 13 7.698 -6.626 2.443 1.00 25.24 H new ATOM 0 HG12 ILE A 13 9.090 -8.854 0.916 1.00 12.32 H new ATOM 0 HG13 ILE A 13 8.327 -9.003 2.487 1.00 12.32 H new ATOM 0 HG21 ILE A 13 7.425 -6.392 0.006 1.00 21.25 H new ATOM 0 HG22 ILE A 13 8.505 -5.142 0.670 1.00 21.25 H new ATOM 0 HG23 ILE A 13 9.187 -6.536 -0.201 1.00 21.25 H new ATOM 0 HD11 ILE A 13 6.877 -9.878 0.722 1.00 5.45 H new ATOM 0 HD12 ILE A 13 6.136 -8.453 1.491 1.00 5.45 H new ATOM 0 HD13 ILE A 13 6.911 -8.302 -0.104 1.00 5.45 H new ATOM 215 N THR A 14 8.903 -4.951 3.795 1.00 11.10 N ATOM 216 CA THR A 14 8.827 -3.613 4.369 1.00 64.31 C ATOM 217 C THR A 14 9.936 -3.390 5.390 1.00 42.44 C ATOM 218 O THR A 14 10.185 -2.262 5.817 1.00 23.43 O ATOM 219 CB THR A 14 7.464 -3.368 5.044 1.00 72.12 C ATOM 220 OG1 THR A 14 7.324 -1.981 5.373 1.00 63.40 O ATOM 221 CG2 THR A 14 7.326 -4.209 6.304 1.00 21.23 C ATOM 0 H THR A 14 8.144 -5.572 4.074 1.00 11.10 H new ATOM 0 HA THR A 14 8.948 -2.908 3.546 1.00 64.31 H new ATOM 0 HB THR A 14 6.679 -3.657 4.345 1.00 72.12 H new ATOM 0 HG1 THR A 14 7.139 -1.469 4.558 1.00 63.40 H new ATOM 0 HG21 THR A 14 6.356 -4.019 6.764 1.00 21.23 H new ATOM 0 HG22 THR A 14 7.406 -5.265 6.047 1.00 21.23 H new ATOM 0 HG23 THR A 14 8.117 -3.946 7.006 1.00 21.23 H new ATOM 229 N LYS A 15 10.600 -4.473 5.782 1.00 54.11 N ATOM 230 CA LYS A 15 11.685 -4.395 6.753 1.00 51.23 C ATOM 231 C LYS A 15 11.235 -3.663 8.014 1.00 63.45 C ATOM 232 O LYS A 15 12.026 -2.975 8.660 1.00 2.33 O ATOM 233 CB LYS A 15 12.895 -3.685 6.142 1.00 60.10 C ATOM 234 CG LYS A 15 13.751 -4.584 5.268 1.00 24.30 C ATOM 235 CD LYS A 15 14.516 -5.602 6.095 1.00 50.25 C ATOM 236 CE LYS A 15 15.216 -6.625 5.213 1.00 44.23 C ATOM 237 NZ LYS A 15 16.407 -6.046 4.530 1.00 41.00 N ATOM 0 H LYS A 15 10.405 -5.415 5.442 1.00 54.11 H new ATOM 0 HA LYS A 15 11.968 -5.412 7.026 1.00 51.23 H new ATOM 0 HB2 LYS A 15 12.548 -2.839 5.548 1.00 60.10 H new ATOM 0 HB3 LYS A 15 13.511 -3.279 6.945 1.00 60.10 H new ATOM 0 HG2 LYS A 15 13.118 -5.102 4.547 1.00 24.30 H new ATOM 0 HG3 LYS A 15 14.453 -3.976 4.697 1.00 24.30 H new ATOM 0 HD2 LYS A 15 15.252 -5.090 6.714 1.00 50.25 H new ATOM 0 HD3 LYS A 15 13.830 -6.112 6.771 1.00 50.25 H new ATOM 0 HE2 LYS A 15 15.523 -7.477 5.819 1.00 44.23 H new ATOM 0 HE3 LYS A 15 14.516 -7.001 4.467 1.00 44.23 H new ATOM 0 HZ1 LYS A 15 16.856 -6.774 3.939 1.00 41.00 H new ATOM 0 HZ2 LYS A 15 16.111 -5.249 3.932 1.00 41.00 H new ATOM 0 HZ3 LYS A 15 17.087 -5.711 5.242 1.00 41.00 H new ATOM 247 N LYS A 16 9.962 -3.818 8.359 1.00 51.14 N ATOM 248 CA LYS A 16 9.407 -3.174 9.544 1.00 11.02 C ATOM 249 C LYS A 16 8.072 -3.803 9.930 1.00 1.31 C ATOM 250 O LYS A 16 7.696 -4.855 9.411 1.00 34.51 O ATOM 251 CB LYS A 16 9.224 -1.675 9.298 1.00 63.43 C ATOM 252 CG LYS A 16 9.675 -0.807 10.460 1.00 3.51 C ATOM 253 CD LYS A 16 11.187 -0.663 10.495 1.00 33.42 C ATOM 254 CE LYS A 16 11.815 -1.617 11.498 1.00 53.41 C ATOM 255 NZ LYS A 16 12.951 -0.986 12.227 1.00 63.33 N ATOM 0 H LYS A 16 9.295 -4.384 7.835 1.00 51.14 H new ATOM 0 HA LYS A 16 10.108 -3.318 10.366 1.00 11.02 H new ATOM 0 HB2 LYS A 16 9.782 -1.391 8.406 1.00 63.43 H new ATOM 0 HB3 LYS A 16 8.172 -1.475 9.093 1.00 63.43 H new ATOM 0 HG2 LYS A 16 9.217 0.179 10.378 1.00 3.51 H new ATOM 0 HG3 LYS A 16 9.328 -1.243 11.397 1.00 3.51 H new ATOM 0 HD2 LYS A 16 11.595 -0.856 9.503 1.00 33.42 H new ATOM 0 HD3 LYS A 16 11.450 0.363 10.753 1.00 33.42 H new ATOM 0 HE2 LYS A 16 11.059 -1.941 12.214 1.00 53.41 H new ATOM 0 HE3 LYS A 16 12.167 -2.509 10.980 1.00 53.41 H new ATOM 0 HZ1 LYS A 16 13.352 -1.668 12.902 1.00 63.33 H new ATOM 0 HZ2 LYS A 16 13.684 -0.700 11.547 1.00 63.33 H new ATOM 0 HZ3 LYS A 16 12.611 -0.149 12.742 1.00 63.33 H new ATOM 265 N LYS A 17 7.359 -3.153 10.844 1.00 62.12 N ATOM 266 CA LYS A 17 6.064 -3.647 11.298 1.00 71.21 C ATOM 267 C LYS A 17 4.938 -2.731 10.828 1.00 63.34 C ATOM 268 O LYS A 17 4.168 -3.087 9.937 1.00 5.01 O ATOM 269 CB LYS A 17 6.043 -3.756 12.824 1.00 60.25 C ATOM 270 CG LYS A 17 4.670 -4.063 13.393 1.00 0.24 C ATOM 271 CD LYS A 17 4.767 -4.737 14.752 1.00 32.43 C ATOM 272 CE LYS A 17 3.402 -5.186 15.250 1.00 12.25 C ATOM 273 NZ LYS A 17 2.413 -4.071 15.240 1.00 25.51 N ATOM 0 H LYS A 17 7.656 -2.283 11.285 1.00 62.12 H new ATOM 0 HA LYS A 17 5.909 -4.636 10.867 1.00 71.21 H new ATOM 0 HB2 LYS A 17 6.738 -4.536 13.134 1.00 60.25 H new ATOM 0 HB3 LYS A 17 6.403 -2.820 13.252 1.00 60.25 H new ATOM 0 HG2 LYS A 17 4.098 -3.140 13.484 1.00 0.24 H new ATOM 0 HG3 LYS A 17 4.126 -4.709 12.704 1.00 0.24 H new ATOM 0 HD2 LYS A 17 5.433 -5.598 14.686 1.00 32.43 H new ATOM 0 HD3 LYS A 17 5.209 -4.047 15.471 1.00 32.43 H new ATOM 0 HE2 LYS A 17 3.037 -6.001 14.624 1.00 12.25 H new ATOM 0 HE3 LYS A 17 3.496 -5.579 16.262 1.00 12.25 H new ATOM 0 HZ1 LYS A 17 1.557 -4.361 15.755 1.00 25.51 H new ATOM 0 HZ2 LYS A 17 2.827 -3.235 15.700 1.00 25.51 H new ATOM 0 HZ3 LYS A 17 2.164 -3.837 14.258 1.00 25.51 H new ATOM 283 N GLU A 18 4.850 -1.550 11.432 1.00 62.31 N ATOM 284 CA GLU A 18 3.818 -0.585 11.073 1.00 52.12 C ATOM 285 C GLU A 18 4.295 0.842 11.330 1.00 2.23 C ATOM 286 O GLU A 18 5.005 1.104 12.301 1.00 1.14 O ATOM 287 CB GLU A 18 2.537 -0.856 11.865 1.00 44.42 C ATOM 288 CG GLU A 18 1.529 0.279 11.801 1.00 72.42 C ATOM 289 CD GLU A 18 0.177 -0.109 12.368 1.00 32.34 C ATOM 290 OE1 GLU A 18 0.092 -1.166 13.027 1.00 23.02 O ATOM 291 OE2 GLU A 18 -0.795 0.644 12.152 1.00 75.53 O ATOM 0 H GLU A 18 5.480 -1.239 12.171 1.00 62.31 H new ATOM 0 HA GLU A 18 3.609 -0.694 10.009 1.00 52.12 H new ATOM 0 HB2 GLU A 18 2.071 -1.766 11.486 1.00 44.42 H new ATOM 0 HB3 GLU A 18 2.797 -1.041 12.907 1.00 44.42 H new ATOM 0 HG2 GLU A 18 1.917 1.136 12.351 1.00 72.42 H new ATOM 0 HG3 GLU A 18 1.407 0.594 10.765 1.00 72.42 H new ATOM 296 N GLU A 19 3.899 1.759 10.453 1.00 75.41 N ATOM 297 CA GLU A 19 4.287 3.159 10.584 1.00 52.43 C ATOM 298 C GLU A 19 3.294 4.069 9.867 1.00 64.31 C ATOM 299 O GLU A 19 2.511 3.616 9.031 1.00 42.54 O ATOM 300 CB GLU A 19 5.693 3.376 10.022 1.00 61.44 C ATOM 301 CG GLU A 19 6.454 4.502 10.701 1.00 52.20 C ATOM 302 CD GLU A 19 7.956 4.290 10.679 1.00 1.24 C ATOM 303 OE1 GLU A 19 8.516 4.141 9.574 1.00 44.04 O ATOM 304 OE2 GLU A 19 8.568 4.271 11.767 1.00 42.21 O ATOM 0 H GLU A 19 3.310 1.558 9.645 1.00 75.41 H new ATOM 0 HA GLU A 19 4.284 3.412 11.644 1.00 52.43 H new ATOM 0 HB2 GLU A 19 6.262 2.452 10.123 1.00 61.44 H new ATOM 0 HB3 GLU A 19 5.620 3.590 8.956 1.00 61.44 H new ATOM 0 HG2 GLU A 19 6.217 5.445 10.207 1.00 52.20 H new ATOM 0 HG3 GLU A 19 6.119 4.590 11.734 1.00 52.20 H new ATOM 309 N THR A 20 3.333 5.355 10.199 1.00 52.33 N ATOM 310 CA THR A 20 2.436 6.329 9.588 1.00 54.52 C ATOM 311 C THR A 20 3.219 7.437 8.893 1.00 63.24 C ATOM 312 O THR A 20 4.293 7.831 9.348 1.00 20.44 O ATOM 313 CB THR A 20 1.497 6.959 10.634 1.00 34.45 C ATOM 314 OG1 THR A 20 2.244 7.354 11.790 1.00 4.21 O ATOM 315 CG2 THR A 20 0.404 5.982 11.038 1.00 42.44 C ATOM 0 H THR A 20 3.976 5.747 10.887 1.00 52.33 H new ATOM 0 HA THR A 20 1.840 5.792 8.851 1.00 54.52 H new ATOM 0 HB THR A 20 1.030 7.837 10.188 1.00 34.45 H new ATOM 0 HG1 THR A 20 1.639 7.755 12.449 1.00 4.21 H new ATOM 0 HG21 THR A 20 -0.247 6.449 11.777 1.00 42.44 H new ATOM 0 HG22 THR A 20 -0.182 5.708 10.161 1.00 42.44 H new ATOM 0 HG23 THR A 20 0.856 5.087 11.466 1.00 42.44 H new ATOM 323 N PHE A 21 2.675 7.934 7.787 1.00 30.02 N ATOM 324 CA PHE A 21 3.324 8.997 7.028 1.00 21.33 C ATOM 325 C PHE A 21 2.304 10.031 6.561 1.00 65.52 C ATOM 326 O PHE A 21 1.175 9.691 6.210 1.00 42.21 O ATOM 327 CB PHE A 21 4.063 8.412 5.823 1.00 74.31 C ATOM 328 CG PHE A 21 5.120 7.411 6.195 1.00 12.14 C ATOM 329 CD1 PHE A 21 6.310 7.823 6.773 1.00 2.12 C ATOM 330 CD2 PHE A 21 4.923 6.059 5.966 1.00 34.03 C ATOM 331 CE1 PHE A 21 7.283 6.904 7.117 1.00 54.34 C ATOM 332 CE2 PHE A 21 5.892 5.136 6.309 1.00 64.53 C ATOM 333 CZ PHE A 21 7.075 5.558 6.884 1.00 34.15 C ATOM 0 H PHE A 21 1.787 7.618 7.397 1.00 30.02 H new ATOM 0 HA PHE A 21 4.043 9.491 7.682 1.00 21.33 H new ATOM 0 HB2 PHE A 21 3.341 7.936 5.160 1.00 74.31 H new ATOM 0 HB3 PHE A 21 4.525 9.224 5.261 1.00 74.31 H new ATOM 0 HD1 PHE A 21 6.479 8.874 6.957 1.00 2.12 H new ATOM 0 HD2 PHE A 21 4.001 5.723 5.514 1.00 34.03 H new ATOM 0 HE1 PHE A 21 8.206 7.238 7.568 1.00 54.34 H new ATOM 0 HE2 PHE A 21 5.725 4.085 6.128 1.00 64.53 H new ATOM 0 HZ PHE A 21 7.835 4.838 7.151 1.00 34.15 H new ATOM 342 N ASN A 22 2.712 11.296 6.558 1.00 30.52 N ATOM 343 CA ASN A 22 1.834 12.381 6.134 1.00 53.25 C ATOM 344 C ASN A 22 2.377 13.063 4.883 1.00 71.22 C ATOM 345 O ASN A 22 3.554 12.928 4.550 1.00 11.13 O ATOM 346 CB ASN A 22 1.677 13.406 7.260 1.00 32.42 C ATOM 347 CG ASN A 22 2.990 13.707 7.955 1.00 44.14 C ATOM 348 OD1 ASN A 22 3.503 12.888 8.718 1.00 62.03 O ATOM 349 ND2 ASN A 22 3.540 14.887 7.696 1.00 63.24 N ATOM 0 H ASN A 22 3.644 11.595 6.844 1.00 30.52 H new ATOM 0 HA ASN A 22 0.858 11.955 5.899 1.00 53.25 H new ATOM 0 HB2 ASN A 22 1.265 14.329 6.852 1.00 32.42 H new ATOM 0 HB3 ASN A 22 0.960 13.032 7.991 1.00 32.42 H new ATOM 0 HD21 ASN A 22 4.423 15.146 8.136 1.00 63.24 H new ATOM 0 HD22 ASN A 22 3.080 15.535 7.057 1.00 63.24 H new ATOM 355 N GLY A 23 1.510 13.798 4.192 1.00 73.42 N ATOM 356 CA GLY A 23 1.921 14.491 2.985 1.00 51.05 C ATOM 357 C GLY A 23 0.858 14.455 1.905 1.00 43.41 C ATOM 358 O GLY A 23 0.322 15.493 1.518 1.00 71.12 O ATOM 0 H GLY A 23 0.531 13.926 4.447 1.00 73.42 H new ATOM 0 HA2 GLY A 23 2.154 15.528 3.227 1.00 51.05 H new ATOM 0 HA3 GLY A 23 2.837 14.039 2.604 1.00 51.05 H new ATOM 362 N ILE A 24 0.553 13.257 1.417 1.00 62.11 N ATOM 363 CA ILE A 24 -0.452 13.090 0.376 1.00 31.14 C ATOM 364 C ILE A 24 -1.670 12.337 0.901 1.00 54.00 C ATOM 365 O ILE A 24 -1.554 11.493 1.789 1.00 22.20 O ATOM 366 CB ILE A 24 0.117 12.338 -0.842 1.00 44.43 C ATOM 367 CG1 ILE A 24 -0.844 12.440 -2.028 1.00 61.13 C ATOM 368 CG2 ILE A 24 0.378 10.881 -0.488 1.00 0.12 C ATOM 369 CD1 ILE A 24 -0.166 12.829 -3.323 1.00 0.10 C ATOM 0 H ILE A 24 0.988 12.388 1.727 1.00 62.11 H new ATOM 0 HA ILE A 24 -0.753 14.091 0.066 1.00 31.14 H new ATOM 0 HB ILE A 24 1.063 12.799 -1.126 1.00 44.43 H new ATOM 0 HG12 ILE A 24 -1.345 11.481 -2.163 1.00 61.13 H new ATOM 0 HG13 ILE A 24 -1.617 13.173 -1.797 1.00 61.13 H new ATOM 0 HG21 ILE A 24 0.780 10.362 -1.358 1.00 0.12 H new ATOM 0 HG22 ILE A 24 1.096 10.828 0.330 1.00 0.12 H new ATOM 0 HG23 ILE A 24 -0.555 10.408 -0.182 1.00 0.12 H new ATOM 0 HD11 ILE A 24 -0.907 12.882 -4.120 1.00 0.10 H new ATOM 0 HD12 ILE A 24 0.311 13.802 -3.206 1.00 0.10 H new ATOM 0 HD13 ILE A 24 0.587 12.084 -3.577 1.00 0.10 H new ATOM 380 N SER A 25 -2.837 12.649 0.346 1.00 43.44 N ATOM 381 CA SER A 25 -4.076 12.003 0.760 1.00 4.10 C ATOM 382 C SER A 25 -4.671 11.185 -0.382 1.00 62.35 C ATOM 383 O SER A 25 -5.837 11.353 -0.742 1.00 74.23 O ATOM 384 CB SER A 25 -5.088 13.049 1.234 1.00 31.23 C ATOM 385 OG SER A 25 -4.990 14.236 0.465 1.00 50.44 O ATOM 0 H SER A 25 -2.950 13.345 -0.391 1.00 43.44 H new ATOM 0 HA SER A 25 -3.847 11.329 1.585 1.00 4.10 H new ATOM 0 HB2 SER A 25 -6.097 12.644 1.158 1.00 31.23 H new ATOM 0 HB3 SER A 25 -4.915 13.277 2.286 1.00 31.23 H new ATOM 0 HG SER A 25 -5.647 14.888 0.785 1.00 50.44 H new ATOM 390 N LYS A 26 -3.861 10.296 -0.949 1.00 35.24 N ATOM 391 CA LYS A 26 -4.305 9.450 -2.050 1.00 60.34 C ATOM 392 C LYS A 26 -3.524 8.139 -2.077 1.00 73.01 C ATOM 393 O LYS A 26 -2.409 8.060 -1.560 1.00 20.32 O ATOM 394 CB LYS A 26 -4.137 10.182 -3.383 1.00 34.42 C ATOM 395 CG LYS A 26 -5.157 11.287 -3.603 1.00 40.34 C ATOM 396 CD LYS A 26 -4.608 12.642 -3.189 1.00 71.22 C ATOM 397 CE LYS A 26 -3.959 13.361 -4.361 1.00 72.14 C ATOM 398 NZ LYS A 26 -3.501 14.728 -3.988 1.00 31.20 N ATOM 0 H LYS A 26 -2.894 10.143 -0.664 1.00 35.24 H new ATOM 0 HA LYS A 26 -5.360 9.222 -1.898 1.00 60.34 H new ATOM 0 HB2 LYS A 26 -3.135 10.609 -3.430 1.00 34.42 H new ATOM 0 HB3 LYS A 26 -4.214 9.461 -4.196 1.00 34.42 H new ATOM 0 HG2 LYS A 26 -5.443 11.315 -4.654 1.00 40.34 H new ATOM 0 HG3 LYS A 26 -6.060 11.069 -3.032 1.00 40.34 H new ATOM 0 HD2 LYS A 26 -5.414 13.255 -2.786 1.00 71.22 H new ATOM 0 HD3 LYS A 26 -3.877 12.511 -2.391 1.00 71.22 H new ATOM 0 HE2 LYS A 26 -3.110 12.779 -4.719 1.00 72.14 H new ATOM 0 HE3 LYS A 26 -4.670 13.428 -5.185 1.00 72.14 H new ATOM 0 HZ1 LYS A 26 -3.064 15.185 -4.814 1.00 31.20 H new ATOM 0 HZ2 LYS A 26 -4.315 15.292 -3.670 1.00 31.20 H new ATOM 0 HZ3 LYS A 26 -2.804 14.663 -3.219 1.00 31.20 H new ATOM 408 N ILE A 27 -4.117 7.116 -2.682 1.00 51.15 N ATOM 409 CA ILE A 27 -3.475 5.810 -2.777 1.00 70.33 C ATOM 410 C ILE A 27 -2.399 5.804 -3.857 1.00 72.43 C ATOM 411 O ILE A 27 -1.409 5.078 -3.758 1.00 31.32 O ATOM 412 CB ILE A 27 -4.498 4.701 -3.082 1.00 30.03 C ATOM 413 CG1 ILE A 27 -5.300 4.357 -1.825 1.00 2.14 C ATOM 414 CG2 ILE A 27 -3.795 3.465 -3.624 1.00 11.42 C ATOM 415 CD1 ILE A 27 -4.469 3.716 -0.735 1.00 71.50 C ATOM 0 H ILE A 27 -5.040 7.165 -3.113 1.00 51.15 H new ATOM 0 HA ILE A 27 -3.016 5.613 -1.808 1.00 70.33 H new ATOM 0 HB ILE A 27 -5.189 5.064 -3.843 1.00 30.03 H new ATOM 0 HG12 ILE A 27 -5.757 5.267 -1.435 1.00 2.14 H new ATOM 0 HG13 ILE A 27 -6.113 3.683 -2.095 1.00 2.14 H new ATOM 0 HG21 ILE A 27 -4.532 2.690 -3.835 1.00 11.42 H new ATOM 0 HG22 ILE A 27 -3.265 3.721 -4.542 1.00 11.42 H new ATOM 0 HG23 ILE A 27 -3.083 3.097 -2.885 1.00 11.42 H new ATOM 0 HD11 ILE A 27 -5.102 3.499 0.125 1.00 71.50 H new ATOM 0 HD12 ILE A 27 -4.033 2.789 -1.107 1.00 71.50 H new ATOM 0 HD13 ILE A 27 -3.672 4.397 -0.437 1.00 71.50 H new ATOM 426 N SER A 28 -2.598 6.620 -4.888 1.00 11.14 N ATOM 427 CA SER A 28 -1.646 6.708 -5.988 1.00 24.21 C ATOM 428 C SER A 28 -0.242 7.007 -5.471 1.00 14.52 C ATOM 429 O SER A 28 0.705 6.276 -5.756 1.00 74.34 O ATOM 430 CB SER A 28 -2.077 7.790 -6.980 1.00 0.12 C ATOM 431 OG SER A 28 -0.958 8.351 -7.643 1.00 65.31 O ATOM 0 H SER A 28 -3.410 7.229 -4.984 1.00 11.14 H new ATOM 0 HA SER A 28 -1.629 5.744 -6.497 1.00 24.21 H new ATOM 0 HB2 SER A 28 -2.761 7.363 -7.713 1.00 0.12 H new ATOM 0 HB3 SER A 28 -2.622 8.574 -6.454 1.00 0.12 H new ATOM 0 HG SER A 28 -1.261 9.038 -8.272 1.00 65.31 H new ATOM 436 N GLU A 29 -0.120 8.088 -4.706 1.00 75.33 N ATOM 437 CA GLU A 29 1.168 8.486 -4.149 1.00 12.21 C ATOM 438 C GLU A 29 1.554 7.588 -2.976 1.00 15.24 C ATOM 439 O GLU A 29 2.711 7.192 -2.837 1.00 72.31 O ATOM 440 CB GLU A 29 1.124 9.946 -3.694 1.00 1.33 C ATOM 441 CG GLU A 29 2.442 10.450 -3.131 1.00 43.41 C ATOM 442 CD GLU A 29 3.392 10.928 -4.210 1.00 60.24 C ATOM 443 OE1 GLU A 29 3.674 10.146 -5.143 1.00 1.41 O ATOM 444 OE2 GLU A 29 3.856 12.084 -4.122 1.00 63.21 O ATOM 0 H GLU A 29 -0.896 8.702 -4.458 1.00 75.33 H new ATOM 0 HA GLU A 29 1.921 8.379 -4.930 1.00 12.21 H new ATOM 0 HB2 GLU A 29 0.837 10.572 -4.539 1.00 1.33 H new ATOM 0 HB3 GLU A 29 0.349 10.058 -2.936 1.00 1.33 H new ATOM 0 HG2 GLU A 29 2.247 11.267 -2.436 1.00 43.41 H new ATOM 0 HG3 GLU A 29 2.918 9.652 -2.561 1.00 43.41 H new ATOM 449 N LEU A 30 0.575 7.272 -2.135 1.00 75.13 N ATOM 450 CA LEU A 30 0.811 6.422 -0.973 1.00 64.24 C ATOM 451 C LEU A 30 1.457 5.103 -1.385 1.00 43.03 C ATOM 452 O LEU A 30 2.478 4.699 -0.828 1.00 71.41 O ATOM 453 CB LEU A 30 -0.504 6.151 -0.239 1.00 30.43 C ATOM 454 CG LEU A 30 -0.400 5.322 1.041 1.00 43.53 C ATOM 455 CD1 LEU A 30 -0.344 3.838 0.713 1.00 71.42 C ATOM 456 CD2 LEU A 30 0.821 5.738 1.849 1.00 74.21 C ATOM 0 H LEU A 30 -0.389 7.591 -2.236 1.00 75.13 H new ATOM 0 HA LEU A 30 1.493 6.946 -0.303 1.00 64.24 H new ATOM 0 HB2 LEU A 30 -0.963 7.108 0.008 1.00 30.43 H new ATOM 0 HB3 LEU A 30 -1.181 5.641 -0.924 1.00 30.43 H new ATOM 0 HG LEU A 30 -1.289 5.507 1.643 1.00 43.53 H new ATOM 0 HD11 LEU A 30 -0.270 3.264 1.637 1.00 71.42 H new ATOM 0 HD12 LEU A 30 -1.248 3.549 0.178 1.00 71.42 H new ATOM 0 HD13 LEU A 30 0.527 3.636 0.089 1.00 71.42 H new ATOM 0 HD21 LEU A 30 0.879 5.137 2.757 1.00 74.21 H new ATOM 0 HD22 LEU A 30 1.721 5.584 1.254 1.00 74.21 H new ATOM 0 HD23 LEU A 30 0.739 6.792 2.116 1.00 74.21 H new ATOM 467 N LEU A 31 0.857 4.437 -2.366 1.00 34.05 N ATOM 468 CA LEU A 31 1.375 3.164 -2.855 1.00 35.44 C ATOM 469 C LEU A 31 2.662 3.370 -3.649 1.00 45.41 C ATOM 470 O LEU A 31 3.654 2.677 -3.429 1.00 50.52 O ATOM 471 CB LEU A 31 0.330 2.468 -3.728 1.00 51.42 C ATOM 472 CG LEU A 31 -0.732 1.657 -2.985 1.00 41.51 C ATOM 473 CD1 LEU A 31 -1.727 1.054 -3.964 1.00 21.21 C ATOM 474 CD2 LEU A 31 -0.080 0.566 -2.146 1.00 55.14 C ATOM 0 H LEU A 31 0.012 4.757 -2.838 1.00 34.05 H new ATOM 0 HA LEU A 31 1.597 2.534 -1.994 1.00 35.44 H new ATOM 0 HB2 LEU A 31 -0.174 3.225 -4.329 1.00 51.42 H new ATOM 0 HB3 LEU A 31 0.848 1.804 -4.420 1.00 51.42 H new ATOM 0 HG LEU A 31 -1.272 2.329 -2.318 1.00 41.51 H new ATOM 0 HD11 LEU A 31 -2.475 0.481 -3.416 1.00 21.21 H new ATOM 0 HD12 LEU A 31 -2.218 1.852 -4.521 1.00 21.21 H new ATOM 0 HD13 LEU A 31 -1.202 0.397 -4.657 1.00 21.21 H new ATOM 0 HD21 LEU A 31 -0.851 -0.001 -1.624 1.00 55.14 H new ATOM 0 HD22 LEU A 31 0.486 -0.103 -2.795 1.00 55.14 H new ATOM 0 HD23 LEU A 31 0.592 1.020 -1.418 1.00 55.14 H new ATOM 485 N GLU A 32 2.636 4.327 -4.571 1.00 3.14 N ATOM 486 CA GLU A 32 3.801 4.623 -5.396 1.00 22.20 C ATOM 487 C GLU A 32 5.030 4.881 -4.529 1.00 65.21 C ATOM 488 O GLU A 32 6.148 4.512 -4.892 1.00 30.44 O ATOM 489 CB GLU A 32 3.528 5.837 -6.287 1.00 45.35 C ATOM 490 CG GLU A 32 4.749 6.314 -7.056 1.00 13.24 C ATOM 491 CD GLU A 32 4.469 7.557 -7.879 1.00 53.54 C ATOM 492 OE1 GLU A 32 3.437 7.586 -8.580 1.00 70.45 O ATOM 493 OE2 GLU A 32 5.285 8.502 -7.820 1.00 3.15 O ATOM 0 H GLU A 32 1.822 4.910 -4.765 1.00 3.14 H new ATOM 0 HA GLU A 32 3.998 3.756 -6.026 1.00 22.20 H new ATOM 0 HB2 GLU A 32 2.738 5.587 -6.995 1.00 45.35 H new ATOM 0 HB3 GLU A 32 3.156 6.654 -5.669 1.00 45.35 H new ATOM 0 HG2 GLU A 32 5.558 6.521 -6.355 1.00 13.24 H new ATOM 0 HG3 GLU A 32 5.094 5.517 -7.714 1.00 13.24 H new ATOM 498 N ARG A 33 4.815 5.516 -3.382 1.00 3.03 N ATOM 499 CA ARG A 33 5.904 5.824 -2.463 1.00 21.32 C ATOM 500 C ARG A 33 6.313 4.587 -1.669 1.00 32.51 C ATOM 501 O ARG A 33 7.477 4.433 -1.297 1.00 51.00 O ATOM 502 CB ARG A 33 5.491 6.944 -1.507 1.00 50.44 C ATOM 503 CG ARG A 33 5.820 8.336 -2.020 1.00 54.23 C ATOM 504 CD ARG A 33 7.322 8.572 -2.067 1.00 2.41 C ATOM 505 NE ARG A 33 7.653 9.994 -2.077 1.00 50.42 N ATOM 506 CZ ARG A 33 7.512 10.788 -1.021 1.00 75.55 C ATOM 507 NH1 ARG A 33 7.049 10.302 0.122 1.00 31.21 N ATOM 508 NH2 ARG A 33 7.835 12.073 -1.108 1.00 24.31 N ATOM 0 H ARG A 33 3.896 5.827 -3.067 1.00 3.03 H new ATOM 0 HA ARG A 33 6.760 6.155 -3.052 1.00 21.32 H new ATOM 0 HB2 ARG A 33 4.418 6.877 -1.325 1.00 50.44 H new ATOM 0 HB3 ARG A 33 5.987 6.793 -0.548 1.00 50.44 H new ATOM 0 HG2 ARG A 33 5.399 8.467 -3.017 1.00 54.23 H new ATOM 0 HG3 ARG A 33 5.353 9.082 -1.377 1.00 54.23 H new ATOM 0 HD2 ARG A 33 7.791 8.097 -1.205 1.00 2.41 H new ATOM 0 HD3 ARG A 33 7.736 8.097 -2.957 1.00 2.41 H new ATOM 0 HE ARG A 33 8.012 10.400 -2.941 1.00 50.42 H new ATOM 0 HH11 ARG A 33 6.800 9.315 0.193 1.00 31.21 H new ATOM 0 HH12 ARG A 33 6.942 10.915 0.931 1.00 31.21 H new ATOM 0 HH21 ARG A 33 8.192 12.451 -1.986 1.00 24.31 H new ATOM 0 HH22 ARG A 33 7.727 12.682 -0.297 1.00 24.31 H new ATOM 519 N LEU A 34 5.350 3.709 -1.415 1.00 41.31 N ATOM 520 CA LEU A 34 5.610 2.485 -0.664 1.00 2.30 C ATOM 521 C LEU A 34 6.362 1.471 -1.520 1.00 51.24 C ATOM 522 O LEU A 34 7.267 0.788 -1.040 1.00 22.52 O ATOM 523 CB LEU A 34 4.295 1.878 -0.171 1.00 42.44 C ATOM 524 CG LEU A 34 3.686 2.519 1.076 1.00 51.44 C ATOM 525 CD1 LEU A 34 2.361 1.857 1.424 1.00 31.14 C ATOM 526 CD2 LEU A 34 4.652 2.429 2.249 1.00 33.35 C ATOM 0 H LEU A 34 4.382 3.821 -1.717 1.00 41.31 H new ATOM 0 HA LEU A 34 6.231 2.739 0.195 1.00 2.30 H new ATOM 0 HB2 LEU A 34 3.565 1.937 -0.979 1.00 42.44 H new ATOM 0 HB3 LEU A 34 4.460 0.820 0.033 1.00 42.44 H new ATOM 0 HG LEU A 34 3.499 3.572 0.864 1.00 51.44 H new ATOM 0 HD11 LEU A 34 1.942 2.326 2.314 1.00 31.14 H new ATOM 0 HD12 LEU A 34 1.667 1.973 0.592 1.00 31.14 H new ATOM 0 HD13 LEU A 34 2.523 0.796 1.615 1.00 31.14 H new ATOM 0 HD21 LEU A 34 4.201 2.890 3.128 1.00 33.35 H new ATOM 0 HD22 LEU A 34 4.871 1.382 2.461 1.00 33.35 H new ATOM 0 HD23 LEU A 34 5.577 2.950 2.000 1.00 33.35 H new ATOM 537 N LYS A 35 5.982 1.380 -2.790 1.00 70.14 N ATOM 538 CA LYS A 35 6.623 0.452 -3.715 1.00 21.23 C ATOM 539 C LYS A 35 8.075 0.849 -3.965 1.00 62.11 C ATOM 540 O LYS A 35 8.950 -0.008 -4.088 1.00 44.54 O ATOM 541 CB LYS A 35 5.859 0.412 -5.041 1.00 14.53 C ATOM 542 CG LYS A 35 5.766 1.762 -5.730 1.00 74.32 C ATOM 543 CD LYS A 35 5.071 1.653 -7.078 1.00 54.44 C ATOM 544 CE LYS A 35 5.955 0.964 -8.106 1.00 1.34 C ATOM 545 NZ LYS A 35 5.200 0.621 -9.344 1.00 50.34 N ATOM 0 H LYS A 35 5.234 1.937 -3.202 1.00 70.14 H new ATOM 0 HA LYS A 35 6.608 -0.540 -3.264 1.00 21.23 H new ATOM 0 HB2 LYS A 35 6.347 -0.296 -5.711 1.00 14.53 H new ATOM 0 HB3 LYS A 35 4.852 0.036 -4.859 1.00 14.53 H new ATOM 0 HG2 LYS A 35 5.221 2.460 -5.094 1.00 74.32 H new ATOM 0 HG3 LYS A 35 6.767 2.171 -5.868 1.00 74.32 H new ATOM 0 HD2 LYS A 35 4.141 1.096 -6.965 1.00 54.44 H new ATOM 0 HD3 LYS A 35 4.806 2.649 -7.433 1.00 54.44 H new ATOM 0 HE2 LYS A 35 6.792 1.614 -8.359 1.00 1.34 H new ATOM 0 HE3 LYS A 35 6.376 0.056 -7.674 1.00 1.34 H new ATOM 0 HZ1 LYS A 35 5.756 -0.046 -9.916 1.00 50.34 H new ATOM 0 HZ2 LYS A 35 4.292 0.184 -9.087 1.00 50.34 H new ATOM 0 HZ3 LYS A 35 5.024 1.486 -9.894 1.00 50.34 H new ATOM 555 N VAL A 36 8.323 2.152 -4.039 1.00 40.33 N ATOM 556 CA VAL A 36 9.669 2.662 -4.271 1.00 65.24 C ATOM 557 C VAL A 36 10.516 2.577 -3.006 1.00 30.44 C ATOM 558 O VAL A 36 11.717 2.318 -3.068 1.00 14.52 O ATOM 559 CB VAL A 36 9.640 4.123 -4.758 1.00 24.23 C ATOM 560 CG1 VAL A 36 8.971 5.017 -3.726 1.00 53.02 C ATOM 561 CG2 VAL A 36 11.047 4.610 -5.066 1.00 74.25 C ATOM 0 H VAL A 36 7.609 2.874 -3.942 1.00 40.33 H new ATOM 0 HA VAL A 36 10.114 2.037 -5.045 1.00 65.24 H new ATOM 0 HB VAL A 36 9.055 4.170 -5.677 1.00 24.23 H new ATOM 0 HG11 VAL A 36 8.960 6.045 -4.088 1.00 53.02 H new ATOM 0 HG12 VAL A 36 7.948 4.679 -3.561 1.00 53.02 H new ATOM 0 HG13 VAL A 36 9.525 4.968 -2.789 1.00 53.02 H new ATOM 0 HG21 VAL A 36 11.007 5.644 -5.409 1.00 74.25 H new ATOM 0 HG22 VAL A 36 11.658 4.549 -4.166 1.00 74.25 H new ATOM 0 HG23 VAL A 36 11.486 3.986 -5.845 1.00 74.25 H new ATOM 571 N GLU A 37 9.880 2.796 -1.859 1.00 2.21 N ATOM 572 CA GLU A 37 10.575 2.744 -0.579 1.00 71.33 C ATOM 573 C GLU A 37 11.015 1.319 -0.256 1.00 64.13 C ATOM 574 O GLU A 37 12.177 1.075 0.070 1.00 15.20 O ATOM 575 CB GLU A 37 9.675 3.276 0.538 1.00 2.33 C ATOM 576 CG GLU A 37 10.257 3.091 1.929 1.00 1.14 C ATOM 577 CD GLU A 37 9.812 4.171 2.896 1.00 54.31 C ATOM 578 OE1 GLU A 37 9.797 5.354 2.497 1.00 31.01 O ATOM 579 OE2 GLU A 37 9.479 3.834 4.051 1.00 5.53 O ATOM 0 H GLU A 37 8.885 3.011 -1.791 1.00 2.21 H new ATOM 0 HA GLU A 37 11.462 3.373 -0.652 1.00 71.33 H new ATOM 0 HB2 GLU A 37 9.489 4.337 0.369 1.00 2.33 H new ATOM 0 HB3 GLU A 37 8.710 2.771 0.487 1.00 2.33 H new ATOM 0 HG2 GLU A 37 9.960 2.117 2.317 1.00 1.14 H new ATOM 0 HG3 GLU A 37 11.345 3.091 1.866 1.00 1.14 H new ATOM 584 N TYR A 38 10.079 0.381 -0.349 1.00 73.23 N ATOM 585 CA TYR A 38 10.368 -1.019 -0.065 1.00 71.04 C ATOM 586 C TYR A 38 11.071 -1.681 -1.245 1.00 21.44 C ATOM 587 O TYR A 38 11.967 -2.505 -1.068 1.00 44.21 O ATOM 588 CB TYR A 38 9.078 -1.772 0.263 1.00 3.24 C ATOM 589 CG TYR A 38 8.262 -1.127 1.361 1.00 71.21 C ATOM 590 CD1 TYR A 38 8.879 -0.549 2.464 1.00 72.42 C ATOM 591 CD2 TYR A 38 6.875 -1.095 1.295 1.00 15.32 C ATOM 592 CE1 TYR A 38 8.138 0.041 3.469 1.00 4.20 C ATOM 593 CE2 TYR A 38 6.126 -0.506 2.295 1.00 4.33 C ATOM 594 CZ TYR A 38 6.762 0.060 3.380 1.00 0.35 C ATOM 595 OH TYR A 38 6.020 0.647 4.379 1.00 13.22 O ATOM 0 H TYR A 38 9.113 0.565 -0.619 1.00 73.23 H new ATOM 0 HA TYR A 38 11.033 -1.058 0.798 1.00 71.04 H new ATOM 0 HB2 TYR A 38 8.469 -1.841 -0.638 1.00 3.24 H new ATOM 0 HB3 TYR A 38 9.327 -2.791 0.558 1.00 3.24 H new ATOM 0 HD1 TYR A 38 9.956 -0.561 2.536 1.00 72.42 H new ATOM 0 HD2 TYR A 38 6.374 -1.538 0.447 1.00 15.32 H new ATOM 0 HE1 TYR A 38 8.633 0.485 4.320 1.00 4.20 H new ATOM 0 HE2 TYR A 38 5.048 -0.489 2.228 1.00 4.33 H new ATOM 0 HH TYR A 38 5.108 0.288 4.363 1.00 13.22 H new ATOM 604 N GLY A 39 10.656 -1.313 -2.454 1.00 31.52 N ATOM 605 CA GLY A 39 11.256 -1.880 -3.649 1.00 2.50 C ATOM 606 C GLY A 39 10.231 -2.520 -4.564 1.00 74.52 C ATOM 607 O GLY A 39 9.053 -2.612 -4.220 1.00 54.40 O ATOM 0 H GLY A 39 9.916 -0.633 -2.627 1.00 31.52 H new ATOM 0 HA2 GLY A 39 11.785 -1.097 -4.192 1.00 2.50 H new ATOM 0 HA3 GLY A 39 11.997 -2.625 -3.361 1.00 2.50 H new ATOM 611 N SER A 40 10.680 -2.961 -5.735 1.00 25.21 N ATOM 612 CA SER A 40 9.792 -3.591 -6.706 1.00 2.24 C ATOM 613 C SER A 40 9.235 -4.903 -6.162 1.00 53.03 C ATOM 614 O SER A 40 8.110 -5.289 -6.475 1.00 34.41 O ATOM 615 CB SER A 40 10.535 -3.843 -8.019 1.00 63.04 C ATOM 616 OG SER A 40 9.627 -4.056 -9.086 1.00 34.24 O ATOM 0 H SER A 40 11.653 -2.894 -6.034 1.00 25.21 H new ATOM 0 HA SER A 40 8.959 -2.914 -6.893 1.00 2.24 H new ATOM 0 HB2 SER A 40 11.176 -2.991 -8.247 1.00 63.04 H new ATOM 0 HB3 SER A 40 11.185 -4.711 -7.912 1.00 63.04 H new ATOM 0 HG SER A 40 10.127 -4.213 -9.914 1.00 34.24 H new ATOM 621 N GLU A 41 10.034 -5.583 -5.345 1.00 24.11 N ATOM 622 CA GLU A 41 9.622 -6.854 -4.758 1.00 52.13 C ATOM 623 C GLU A 41 8.318 -6.696 -3.982 1.00 25.04 C ATOM 624 O GLU A 41 7.525 -7.633 -3.881 1.00 71.31 O ATOM 625 CB GLU A 41 10.716 -7.392 -3.834 1.00 61.15 C ATOM 626 CG GLU A 41 10.848 -8.906 -3.866 1.00 41.53 C ATOM 627 CD GLU A 41 11.194 -9.433 -5.246 1.00 53.23 C ATOM 628 OE1 GLU A 41 10.260 -9.711 -6.026 1.00 12.34 O ATOM 629 OE2 GLU A 41 12.399 -9.566 -5.543 1.00 24.31 O ATOM 0 H GLU A 41 10.968 -5.276 -5.075 1.00 24.11 H new ATOM 0 HA GLU A 41 9.459 -7.564 -5.568 1.00 52.13 H new ATOM 0 HB2 GLU A 41 11.670 -6.946 -4.116 1.00 61.15 H new ATOM 0 HB3 GLU A 41 10.506 -7.075 -2.812 1.00 61.15 H new ATOM 0 HG2 GLU A 41 11.619 -9.215 -3.160 1.00 41.53 H new ATOM 0 HG3 GLU A 41 9.912 -9.356 -3.534 1.00 41.53 H new ATOM 634 N PHE A 42 8.102 -5.505 -3.435 1.00 61.12 N ATOM 635 CA PHE A 42 6.895 -5.224 -2.666 1.00 0.21 C ATOM 636 C PHE A 42 5.682 -5.099 -3.584 1.00 61.14 C ATOM 637 O PHE A 42 4.669 -5.772 -3.389 1.00 1.10 O ATOM 638 CB PHE A 42 7.069 -3.938 -1.854 1.00 63.12 C ATOM 639 CG PHE A 42 5.798 -3.457 -1.213 1.00 71.21 C ATOM 640 CD1 PHE A 42 5.418 -3.923 0.035 1.00 32.23 C ATOM 641 CD2 PHE A 42 4.985 -2.541 -1.859 1.00 31.42 C ATOM 642 CE1 PHE A 42 4.250 -3.481 0.628 1.00 3.34 C ATOM 643 CE2 PHE A 42 3.816 -2.096 -1.272 1.00 73.32 C ATOM 644 CZ PHE A 42 3.447 -2.567 -0.027 1.00 24.02 C ATOM 0 H PHE A 42 8.747 -4.718 -3.510 1.00 61.12 H new ATOM 0 HA PHE A 42 6.728 -6.057 -1.983 1.00 0.21 H new ATOM 0 HB2 PHE A 42 7.817 -4.106 -1.079 1.00 63.12 H new ATOM 0 HB3 PHE A 42 7.456 -3.155 -2.506 1.00 63.12 H new ATOM 0 HD1 PHE A 42 6.041 -4.639 0.550 1.00 32.23 H new ATOM 0 HD2 PHE A 42 5.268 -2.170 -2.833 1.00 31.42 H new ATOM 0 HE1 PHE A 42 3.965 -3.850 1.602 1.00 3.34 H new ATOM 0 HE2 PHE A 42 3.191 -1.381 -1.786 1.00 73.32 H new ATOM 0 HZ PHE A 42 2.533 -2.222 0.433 1.00 24.02 H new ATOM 653 N THR A 43 5.792 -4.232 -4.585 1.00 62.31 N ATOM 654 CA THR A 43 4.707 -4.016 -5.533 1.00 11.44 C ATOM 655 C THR A 43 4.331 -5.311 -6.243 1.00 24.22 C ATOM 656 O THR A 43 3.155 -5.576 -6.494 1.00 34.54 O ATOM 657 CB THR A 43 5.081 -2.957 -6.587 1.00 41.24 C ATOM 658 OG1 THR A 43 6.413 -2.485 -6.354 1.00 15.12 O ATOM 659 CG2 THR A 43 4.110 -1.787 -6.548 1.00 5.35 C ATOM 0 H THR A 43 6.623 -3.667 -4.760 1.00 62.31 H new ATOM 0 HA THR A 43 3.853 -3.658 -4.957 1.00 11.44 H new ATOM 0 HB THR A 43 5.026 -3.421 -7.572 1.00 41.24 H new ATOM 0 HG1 THR A 43 6.762 -2.075 -7.172 1.00 15.12 H new ATOM 0 HG21 THR A 43 4.395 -1.052 -7.301 1.00 5.35 H new ATOM 0 HG22 THR A 43 3.101 -2.145 -6.753 1.00 5.35 H new ATOM 0 HG23 THR A 43 4.137 -1.324 -5.561 1.00 5.35 H new ATOM 667 N LYS A 44 5.337 -6.118 -6.564 1.00 4.52 N ATOM 668 CA LYS A 44 5.113 -7.388 -7.243 1.00 23.10 C ATOM 669 C LYS A 44 4.545 -8.428 -6.282 1.00 54.52 C ATOM 670 O LYS A 44 3.853 -9.357 -6.697 1.00 54.43 O ATOM 671 CB LYS A 44 6.419 -7.902 -7.852 1.00 30.54 C ATOM 672 CG LYS A 44 7.042 -6.944 -8.853 1.00 2.02 C ATOM 673 CD LYS A 44 6.444 -7.119 -10.239 1.00 25.23 C ATOM 674 CE LYS A 44 6.775 -5.942 -11.143 1.00 70.34 C ATOM 675 NZ LYS A 44 6.021 -5.996 -12.424 1.00 24.34 N ATOM 0 H LYS A 44 6.316 -5.914 -6.364 1.00 4.52 H new ATOM 0 HA LYS A 44 4.388 -7.221 -8.040 1.00 23.10 H new ATOM 0 HB2 LYS A 44 7.133 -8.092 -7.051 1.00 30.54 H new ATOM 0 HB3 LYS A 44 6.230 -8.856 -8.344 1.00 30.54 H new ATOM 0 HG2 LYS A 44 6.892 -5.918 -8.518 1.00 2.02 H new ATOM 0 HG3 LYS A 44 8.118 -7.111 -8.896 1.00 2.02 H new ATOM 0 HD2 LYS A 44 6.821 -8.039 -10.685 1.00 25.23 H new ATOM 0 HD3 LYS A 44 5.362 -7.224 -10.159 1.00 25.23 H new ATOM 0 HE2 LYS A 44 6.545 -5.011 -10.625 1.00 70.34 H new ATOM 0 HE3 LYS A 44 7.845 -5.934 -11.352 1.00 70.34 H new ATOM 0 HZ1 LYS A 44 6.275 -5.176 -13.011 1.00 24.34 H new ATOM 0 HZ2 LYS A 44 6.260 -6.872 -12.931 1.00 24.34 H new ATOM 0 HZ3 LYS A 44 5.000 -5.977 -12.227 1.00 24.34 H new ATOM 685 N GLN A 45 4.842 -8.263 -4.997 1.00 1.32 N ATOM 686 CA GLN A 45 4.360 -9.187 -3.977 1.00 2.34 C ATOM 687 C GLN A 45 2.909 -8.888 -3.614 1.00 0.23 C ATOM 688 O GLN A 45 2.103 -9.801 -3.437 1.00 62.42 O ATOM 689 CB GLN A 45 5.239 -9.104 -2.727 1.00 12.45 C ATOM 690 CG GLN A 45 4.822 -10.065 -1.626 1.00 3.25 C ATOM 691 CD GLN A 45 5.558 -11.388 -1.695 1.00 73.14 C ATOM 692 OE1 GLN A 45 6.689 -11.508 -1.219 1.00 34.43 O ATOM 693 NE2 GLN A 45 4.922 -12.391 -2.289 1.00 73.34 N ATOM 0 H GLN A 45 5.414 -7.499 -4.638 1.00 1.32 H new ATOM 0 HA GLN A 45 4.413 -10.197 -4.383 1.00 2.34 H new ATOM 0 HB2 GLN A 45 6.273 -9.310 -3.005 1.00 12.45 H new ATOM 0 HB3 GLN A 45 5.210 -8.086 -2.339 1.00 12.45 H new ATOM 0 HG2 GLN A 45 5.005 -9.602 -0.656 1.00 3.25 H new ATOM 0 HG3 GLN A 45 3.749 -10.247 -1.695 1.00 3.25 H new ATOM 0 HE21 GLN A 45 3.986 -12.248 -2.669 1.00 73.34 H new ATOM 0 HE22 GLN A 45 5.369 -13.305 -2.365 1.00 73.34 H new ATOM 700 N MET A 46 2.584 -7.604 -3.503 1.00 23.35 N ATOM 701 CA MET A 46 1.229 -7.186 -3.162 1.00 74.15 C ATOM 702 C MET A 46 0.439 -6.827 -4.416 1.00 4.30 C ATOM 703 O MET A 46 -0.696 -6.357 -4.333 1.00 74.00 O ATOM 704 CB MET A 46 1.267 -5.990 -2.210 1.00 55.22 C ATOM 705 CG MET A 46 2.328 -6.108 -1.128 1.00 12.41 C ATOM 706 SD MET A 46 2.189 -7.637 -0.183 1.00 61.44 S ATOM 707 CE MET A 46 0.653 -7.356 0.693 1.00 43.25 C ATOM 0 H MET A 46 3.240 -6.836 -3.644 1.00 23.35 H new ATOM 0 HA MET A 46 0.732 -8.020 -2.667 1.00 74.15 H new ATOM 0 HB2 MET A 46 1.447 -5.083 -2.787 1.00 55.22 H new ATOM 0 HB3 MET A 46 0.290 -5.880 -1.739 1.00 55.22 H new ATOM 0 HG2 MET A 46 3.316 -6.057 -1.586 1.00 12.41 H new ATOM 0 HG3 MET A 46 2.247 -5.258 -0.451 1.00 12.41 H new ATOM 0 HE1 MET A 46 0.357 -8.269 1.210 1.00 43.25 H new ATOM 0 HE2 MET A 46 0.790 -6.555 1.420 1.00 43.25 H new ATOM 0 HE3 MET A 46 -0.124 -7.073 -0.017 1.00 43.25 H new ATOM 715 N TYR A 47 1.044 -7.053 -5.577 1.00 71.04 N ATOM 716 CA TYR A 47 0.398 -6.751 -6.848 1.00 14.40 C ATOM 717 C TYR A 47 1.133 -7.420 -8.006 1.00 33.03 C ATOM 718 O TYR A 47 2.154 -6.920 -8.479 1.00 4.24 O ATOM 719 CB TYR A 47 0.343 -5.239 -7.070 1.00 14.50 C ATOM 720 CG TYR A 47 -0.911 -4.774 -7.774 1.00 25.44 C ATOM 721 CD1 TYR A 47 -2.169 -5.080 -7.269 1.00 2.40 C ATOM 722 CD2 TYR A 47 -0.839 -4.030 -8.945 1.00 22.13 C ATOM 723 CE1 TYR A 47 -3.318 -4.659 -7.910 1.00 12.52 C ATOM 724 CE2 TYR A 47 -1.983 -3.603 -9.592 1.00 23.04 C ATOM 725 CZ TYR A 47 -3.221 -3.921 -9.071 1.00 72.34 C ATOM 726 OH TYR A 47 -4.362 -3.498 -9.711 1.00 45.20 O ATOM 0 H TYR A 47 1.982 -7.445 -5.664 1.00 71.04 H new ATOM 0 HA TYR A 47 -0.618 -7.143 -6.812 1.00 14.40 H new ATOM 0 HB2 TYR A 47 0.415 -4.736 -6.106 1.00 14.50 H new ATOM 0 HB3 TYR A 47 1.211 -4.935 -7.654 1.00 14.50 H new ATOM 0 HD1 TYR A 47 -2.250 -5.657 -6.360 1.00 2.40 H new ATOM 0 HD2 TYR A 47 0.128 -3.781 -9.357 1.00 22.13 H new ATOM 0 HE1 TYR A 47 -4.288 -4.907 -7.504 1.00 12.52 H new ATOM 0 HE2 TYR A 47 -1.909 -3.024 -10.500 1.00 23.04 H new ATOM 0 HH TYR A 47 -4.118 -2.990 -10.512 1.00 45.20 H new ATOM 735 N ASP A 48 0.605 -8.553 -8.456 1.00 44.25 N ATOM 736 CA ASP A 48 1.209 -9.291 -9.560 1.00 61.24 C ATOM 737 C ASP A 48 0.417 -9.088 -10.847 1.00 23.15 C ATOM 738 O ASP A 48 -0.507 -9.844 -11.146 1.00 70.22 O ATOM 739 CB ASP A 48 1.285 -10.781 -9.223 1.00 65.32 C ATOM 740 CG ASP A 48 1.752 -11.618 -10.399 1.00 54.50 C ATOM 741 OD1 ASP A 48 2.966 -11.607 -10.688 1.00 63.33 O ATOM 742 OD2 ASP A 48 0.903 -12.281 -11.029 1.00 14.04 O ATOM 0 H ASP A 48 -0.239 -8.980 -8.074 1.00 44.25 H new ATOM 0 HA ASP A 48 2.218 -8.908 -9.712 1.00 61.24 H new ATOM 0 HB2 ASP A 48 1.966 -10.927 -8.384 1.00 65.32 H new ATOM 0 HB3 ASP A 48 0.303 -11.128 -8.901 1.00 65.32 H new ATOM 746 N GLY A 49 0.785 -8.060 -11.606 1.00 22.04 N ATOM 747 CA GLY A 49 0.097 -7.775 -12.852 1.00 10.31 C ATOM 748 C GLY A 49 -1.105 -6.873 -12.658 1.00 52.02 C ATOM 749 O GLY A 49 -0.975 -5.650 -12.637 1.00 53.31 O ATOM 0 H GLY A 49 1.547 -7.420 -11.381 1.00 22.04 H new ATOM 0 HA2 GLY A 49 0.792 -7.304 -13.548 1.00 10.31 H new ATOM 0 HA3 GLY A 49 -0.225 -8.711 -13.308 1.00 10.31 H new ATOM 753 N ASN A 50 -2.281 -7.478 -12.516 1.00 73.33 N ATOM 754 CA ASN A 50 -3.511 -6.721 -12.325 1.00 15.14 C ATOM 755 C ASN A 50 -4.242 -7.178 -11.065 1.00 32.50 C ATOM 756 O ASN A 50 -5.284 -6.632 -10.708 1.00 54.52 O ATOM 757 CB ASN A 50 -4.425 -6.876 -13.543 1.00 40.21 C ATOM 758 CG ASN A 50 -4.056 -5.929 -14.668 1.00 53.24 C ATOM 759 OD1 ASN A 50 -2.877 -5.701 -14.940 1.00 13.55 O ATOM 760 ND2 ASN A 50 -5.065 -5.372 -15.327 1.00 13.10 N ATOM 0 H ASN A 50 -2.406 -8.490 -12.530 1.00 73.33 H new ATOM 0 HA ASN A 50 -3.246 -5.670 -12.209 1.00 15.14 H new ATOM 0 HB2 ASN A 50 -4.373 -7.903 -13.905 1.00 40.21 H new ATOM 0 HB3 ASN A 50 -5.458 -6.696 -13.244 1.00 40.21 H new ATOM 0 HD21 ASN A 50 -4.878 -4.726 -16.094 1.00 13.10 H new ATOM 0 HD22 ASN A 50 -6.027 -5.590 -15.067 1.00 13.10 H new ATOM 766 N ASN A 51 -3.684 -8.183 -10.398 1.00 10.44 N ATOM 767 CA ASN A 51 -4.282 -8.714 -9.178 1.00 0.43 C ATOM 768 C ASN A 51 -3.222 -9.350 -8.285 1.00 61.35 C ATOM 769 O ASN A 51 -2.111 -9.642 -8.732 1.00 2.54 O ATOM 770 CB ASN A 51 -5.361 -9.744 -9.520 1.00 14.25 C ATOM 771 CG ASN A 51 -6.704 -9.100 -9.805 1.00 22.54 C ATOM 772 OD1 ASN A 51 -7.424 -8.706 -8.888 1.00 43.04 O ATOM 773 ND2 ASN A 51 -7.048 -8.990 -11.083 1.00 24.24 N ATOM 0 H ASN A 51 -2.820 -8.646 -10.681 1.00 10.44 H new ATOM 0 HA ASN A 51 -4.739 -7.885 -8.637 1.00 0.43 H new ATOM 0 HB2 ASN A 51 -5.046 -10.321 -10.389 1.00 14.25 H new ATOM 0 HB3 ASN A 51 -5.466 -10.445 -8.692 1.00 14.25 H new ATOM 0 HD21 ASN A 51 -7.940 -8.565 -11.336 1.00 24.24 H new ATOM 0 HD22 ASN A 51 -6.420 -9.330 -11.811 1.00 24.24 H new ATOM 779 N LEU A 52 -3.570 -9.564 -7.021 1.00 53.21 N ATOM 780 CA LEU A 52 -2.649 -10.166 -6.064 1.00 41.04 C ATOM 781 C LEU A 52 -2.039 -11.446 -6.627 1.00 31.41 C ATOM 782 O LEU A 52 -2.599 -12.068 -7.530 1.00 34.33 O ATOM 783 CB LEU A 52 -3.372 -10.466 -4.750 1.00 63.05 C ATOM 784 CG LEU A 52 -4.070 -9.282 -4.081 1.00 34.41 C ATOM 785 CD1 LEU A 52 -3.384 -7.977 -4.459 1.00 12.35 C ATOM 786 CD2 LEU A 52 -5.541 -9.244 -4.466 1.00 43.01 C ATOM 0 H LEU A 52 -4.484 -9.329 -6.635 1.00 53.21 H new ATOM 0 HA LEU A 52 -1.845 -9.455 -5.874 1.00 41.04 H new ATOM 0 HB2 LEU A 52 -4.115 -11.242 -4.936 1.00 63.05 H new ATOM 0 HB3 LEU A 52 -2.649 -10.880 -4.047 1.00 63.05 H new ATOM 0 HG LEU A 52 -4.001 -9.406 -3.000 1.00 34.41 H new ATOM 0 HD11 LEU A 52 -3.894 -7.144 -3.974 1.00 12.35 H new ATOM 0 HD12 LEU A 52 -2.344 -8.005 -4.134 1.00 12.35 H new ATOM 0 HD13 LEU A 52 -3.422 -7.846 -5.540 1.00 12.35 H new ATOM 0 HD21 LEU A 52 -6.022 -8.395 -3.981 1.00 43.01 H new ATOM 0 HD22 LEU A 52 -5.632 -9.143 -5.548 1.00 43.01 H new ATOM 0 HD23 LEU A 52 -6.025 -10.167 -4.146 1.00 43.01 H new ATOM 797 N PHE A 53 -0.890 -11.836 -6.086 1.00 32.02 N ATOM 798 CA PHE A 53 -0.205 -13.043 -6.533 1.00 21.53 C ATOM 799 C PHE A 53 -0.864 -14.290 -5.950 1.00 54.03 C ATOM 800 O PHE A 53 -1.416 -15.114 -6.679 1.00 32.10 O ATOM 801 CB PHE A 53 1.271 -12.996 -6.131 1.00 23.31 C ATOM 802 CG PHE A 53 2.010 -14.273 -6.414 1.00 15.23 C ATOM 803 CD1 PHE A 53 1.898 -14.895 -7.646 1.00 62.44 C ATOM 804 CD2 PHE A 53 2.816 -14.851 -5.446 1.00 72.41 C ATOM 805 CE1 PHE A 53 2.577 -16.070 -7.910 1.00 2.41 C ATOM 806 CE2 PHE A 53 3.498 -16.025 -5.704 1.00 12.30 C ATOM 807 CZ PHE A 53 3.378 -16.636 -6.937 1.00 3.41 C ATOM 0 H PHE A 53 -0.413 -11.334 -5.337 1.00 32.02 H new ATOM 0 HA PHE A 53 -0.277 -13.090 -7.620 1.00 21.53 H new ATOM 0 HB2 PHE A 53 1.758 -12.178 -6.662 1.00 23.31 H new ATOM 0 HB3 PHE A 53 1.343 -12.772 -5.067 1.00 23.31 H new ATOM 0 HD1 PHE A 53 1.273 -14.457 -8.410 1.00 62.44 H new ATOM 0 HD2 PHE A 53 2.912 -14.379 -4.479 1.00 72.41 H new ATOM 0 HE1 PHE A 53 2.481 -16.545 -8.875 1.00 2.41 H new ATOM 0 HE2 PHE A 53 4.124 -16.465 -4.942 1.00 12.30 H new ATOM 0 HZ PHE A 53 3.909 -17.554 -7.140 1.00 3.41 H new ATOM 816 N LYS A 54 -0.799 -14.422 -4.630 1.00 14.22 N ATOM 817 CA LYS A 54 -1.389 -15.567 -3.945 1.00 34.35 C ATOM 818 C LYS A 54 -2.859 -15.311 -3.626 1.00 2.30 C ATOM 819 O LYS A 54 -3.733 -16.081 -4.023 1.00 21.13 O ATOM 820 CB LYS A 54 -0.621 -15.869 -2.657 1.00 10.32 C ATOM 821 CG LYS A 54 -1.170 -17.056 -1.885 1.00 24.25 C ATOM 822 CD LYS A 54 -0.911 -18.364 -2.614 1.00 12.43 C ATOM 823 CE LYS A 54 -2.211 -19.043 -3.019 1.00 51.45 C ATOM 824 NZ LYS A 54 -2.057 -20.521 -3.114 1.00 64.33 N ATOM 0 H LYS A 54 -0.344 -13.750 -4.012 1.00 14.22 H new ATOM 0 HA LYS A 54 -1.324 -16.429 -4.609 1.00 34.35 H new ATOM 0 HB2 LYS A 54 0.424 -16.058 -2.903 1.00 10.32 H new ATOM 0 HB3 LYS A 54 -0.643 -14.988 -2.016 1.00 10.32 H new ATOM 0 HG2 LYS A 54 -0.711 -17.092 -0.897 1.00 24.25 H new ATOM 0 HG3 LYS A 54 -2.242 -16.929 -1.734 1.00 24.25 H new ATOM 0 HD2 LYS A 54 -0.307 -18.174 -3.501 1.00 12.43 H new ATOM 0 HD3 LYS A 54 -0.335 -19.031 -1.973 1.00 12.43 H new ATOM 0 HE2 LYS A 54 -2.987 -18.805 -2.292 1.00 51.45 H new ATOM 0 HE3 LYS A 54 -2.542 -18.650 -3.980 1.00 51.45 H new ATOM 0 HZ1 LYS A 54 -2.277 -20.831 -4.082 1.00 64.33 H new ATOM 0 HZ2 LYS A 54 -1.078 -20.784 -2.880 1.00 64.33 H new ATOM 0 HZ3 LYS A 54 -2.708 -20.981 -2.447 1.00 64.33 H new ATOM 834 N ASN A 55 -3.123 -14.227 -2.905 1.00 35.24 N ATOM 835 CA ASN A 55 -4.488 -13.869 -2.533 1.00 71.54 C ATOM 836 C ASN A 55 -4.493 -12.863 -1.387 1.00 73.15 C ATOM 837 O ASN A 55 -5.228 -13.020 -0.412 1.00 51.31 O ATOM 838 CB ASN A 55 -5.272 -15.120 -2.132 1.00 20.34 C ATOM 839 CG ASN A 55 -6.275 -15.536 -3.191 1.00 44.34 C ATOM 840 OD1 ASN A 55 -6.277 -16.681 -3.643 1.00 5.31 O ATOM 841 ND2 ASN A 55 -7.134 -14.607 -3.591 1.00 54.40 N ATOM 0 H ASN A 55 -2.410 -13.581 -2.566 1.00 35.24 H new ATOM 0 HA ASN A 55 -4.966 -13.409 -3.398 1.00 71.54 H new ATOM 0 HB2 ASN A 55 -4.576 -15.940 -1.952 1.00 20.34 H new ATOM 0 HB3 ASN A 55 -5.794 -14.933 -1.194 1.00 20.34 H new ATOM 0 HD21 ASN A 55 -7.832 -14.830 -4.301 1.00 54.40 H new ATOM 0 HD22 ASN A 55 -7.096 -13.670 -3.189 1.00 54.40 H new ATOM 847 N VAL A 56 -3.668 -11.827 -1.511 1.00 3.10 N ATOM 848 CA VAL A 56 -3.578 -10.794 -0.487 1.00 3.55 C ATOM 849 C VAL A 56 -4.876 -9.998 -0.394 1.00 65.13 C ATOM 850 O VAL A 56 -5.492 -9.676 -1.410 1.00 62.31 O ATOM 851 CB VAL A 56 -2.414 -9.826 -0.767 1.00 32.44 C ATOM 852 CG1 VAL A 56 -2.109 -8.986 0.464 1.00 0.32 C ATOM 853 CG2 VAL A 56 -1.180 -10.592 -1.219 1.00 3.34 C ATOM 0 H VAL A 56 -3.053 -11.682 -2.311 1.00 3.10 H new ATOM 0 HA VAL A 56 -3.398 -11.302 0.460 1.00 3.55 H new ATOM 0 HB VAL A 56 -2.711 -9.153 -1.572 1.00 32.44 H new ATOM 0 HG11 VAL A 56 -1.284 -8.308 0.247 1.00 0.32 H new ATOM 0 HG12 VAL A 56 -2.991 -8.407 0.737 1.00 0.32 H new ATOM 0 HG13 VAL A 56 -1.833 -9.640 1.291 1.00 0.32 H new ATOM 0 HG21 VAL A 56 -0.368 -9.892 -1.412 1.00 3.34 H new ATOM 0 HG22 VAL A 56 -0.879 -11.290 -0.438 1.00 3.34 H new ATOM 0 HG23 VAL A 56 -1.408 -11.144 -2.131 1.00 3.34 H new ATOM 863 N ILE A 57 -5.284 -9.684 0.830 1.00 61.11 N ATOM 864 CA ILE A 57 -6.508 -8.924 1.056 1.00 23.53 C ATOM 865 C ILE A 57 -6.231 -7.666 1.870 1.00 55.32 C ATOM 866 O ILE A 57 -5.961 -7.737 3.070 1.00 62.41 O ATOM 867 CB ILE A 57 -7.570 -9.770 1.783 1.00 63.21 C ATOM 868 CG1 ILE A 57 -7.910 -11.016 0.963 1.00 4.15 C ATOM 869 CG2 ILE A 57 -8.819 -8.942 2.043 1.00 73.14 C ATOM 870 CD1 ILE A 57 -8.297 -12.209 1.809 1.00 31.51 C ATOM 0 H ILE A 57 -4.785 -9.944 1.681 1.00 61.11 H new ATOM 0 HA ILE A 57 -6.890 -8.642 0.075 1.00 23.53 H new ATOM 0 HB ILE A 57 -7.164 -10.090 2.743 1.00 63.21 H new ATOM 0 HG12 ILE A 57 -8.729 -10.781 0.284 1.00 4.15 H new ATOM 0 HG13 ILE A 57 -7.051 -11.281 0.347 1.00 4.15 H new ATOM 0 HG21 ILE A 57 -9.560 -9.554 2.557 1.00 73.14 H new ATOM 0 HG22 ILE A 57 -8.563 -8.083 2.664 1.00 73.14 H new ATOM 0 HG23 ILE A 57 -9.230 -8.595 1.095 1.00 73.14 H new ATOM 0 HD11 ILE A 57 -8.525 -13.056 1.161 1.00 31.51 H new ATOM 0 HD12 ILE A 57 -7.471 -12.470 2.470 1.00 31.51 H new ATOM 0 HD13 ILE A 57 -9.175 -11.962 2.406 1.00 31.51 H new ATOM 881 N ILE A 58 -6.302 -6.514 1.211 1.00 51.02 N ATOM 882 CA ILE A 58 -6.062 -5.239 1.875 1.00 54.31 C ATOM 883 C ILE A 58 -7.254 -4.301 1.713 1.00 70.51 C ATOM 884 O ILE A 58 -7.812 -4.174 0.622 1.00 13.03 O ATOM 885 CB ILE A 58 -4.801 -4.547 1.327 1.00 74.14 C ATOM 886 CG1 ILE A 58 -4.951 -3.026 1.404 1.00 54.45 C ATOM 887 CG2 ILE A 58 -4.536 -4.986 -0.105 1.00 22.35 C ATOM 888 CD1 ILE A 58 -3.640 -2.282 1.280 1.00 33.33 C ATOM 0 H ILE A 58 -6.524 -6.438 0.218 1.00 51.02 H new ATOM 0 HA ILE A 58 -5.916 -5.458 2.933 1.00 54.31 H new ATOM 0 HB ILE A 58 -3.949 -4.840 1.941 1.00 74.14 H new ATOM 0 HG12 ILE A 58 -5.623 -2.695 0.613 1.00 54.45 H new ATOM 0 HG13 ILE A 58 -5.420 -2.763 2.352 1.00 54.45 H new ATOM 0 HG21 ILE A 58 -3.641 -4.488 -0.479 1.00 22.35 H new ATOM 0 HG22 ILE A 58 -4.389 -6.066 -0.133 1.00 22.35 H new ATOM 0 HG23 ILE A 58 -5.388 -4.719 -0.731 1.00 22.35 H new ATOM 0 HD11 ILE A 58 -3.823 -1.209 1.343 1.00 33.33 H new ATOM 0 HD12 ILE A 58 -2.972 -2.584 2.087 1.00 33.33 H new ATOM 0 HD13 ILE A 58 -3.179 -2.515 0.320 1.00 33.33 H new ATOM 899 N LEU A 59 -7.637 -3.645 2.802 1.00 44.43 N ATOM 900 CA LEU A 59 -8.762 -2.718 2.781 1.00 75.24 C ATOM 901 C LEU A 59 -8.301 -1.296 3.089 1.00 70.42 C ATOM 902 O LEU A 59 -7.209 -1.087 3.617 1.00 52.11 O ATOM 903 CB LEU A 59 -9.826 -3.150 3.791 1.00 60.24 C ATOM 904 CG LEU A 59 -10.601 -4.423 3.447 1.00 71.44 C ATOM 905 CD1 LEU A 59 -11.420 -4.888 4.640 1.00 3.24 C ATOM 906 CD2 LEU A 59 -11.496 -4.191 2.238 1.00 72.03 C ATOM 0 H LEU A 59 -7.185 -3.738 3.711 1.00 44.43 H new ATOM 0 HA LEU A 59 -9.194 -2.733 1.780 1.00 75.24 H new ATOM 0 HB2 LEU A 59 -9.344 -3.292 4.758 1.00 60.24 H new ATOM 0 HB3 LEU A 59 -10.540 -2.335 3.908 1.00 60.24 H new ATOM 0 HG LEU A 59 -9.885 -5.206 3.198 1.00 71.44 H new ATOM 0 HD11 LEU A 59 -11.964 -5.795 4.376 1.00 3.24 H new ATOM 0 HD12 LEU A 59 -10.756 -5.095 5.479 1.00 3.24 H new ATOM 0 HD13 LEU A 59 -12.128 -4.108 4.921 1.00 3.24 H new ATOM 0 HD21 LEU A 59 -12.040 -5.107 2.007 1.00 72.03 H new ATOM 0 HD22 LEU A 59 -12.205 -3.393 2.458 1.00 72.03 H new ATOM 0 HD23 LEU A 59 -10.884 -3.907 1.382 1.00 72.03 H new ATOM 917 N VAL A 60 -9.141 -0.322 2.755 1.00 54.21 N ATOM 918 CA VAL A 60 -8.822 1.080 2.999 1.00 33.22 C ATOM 919 C VAL A 60 -10.003 1.811 3.626 1.00 75.13 C ATOM 920 O VAL A 60 -11.057 1.952 3.009 1.00 11.44 O ATOM 921 CB VAL A 60 -8.421 1.798 1.696 1.00 75.24 C ATOM 922 CG1 VAL A 60 -9.458 1.555 0.611 1.00 32.43 C ATOM 923 CG2 VAL A 60 -8.236 3.287 1.946 1.00 32.13 C ATOM 0 H VAL A 60 -10.048 -0.478 2.315 1.00 54.21 H new ATOM 0 HA VAL A 60 -7.979 1.098 3.690 1.00 33.22 H new ATOM 0 HB VAL A 60 -7.471 1.389 1.353 1.00 75.24 H new ATOM 0 HG11 VAL A 60 -9.157 2.070 -0.301 1.00 32.43 H new ATOM 0 HG12 VAL A 60 -9.536 0.486 0.415 1.00 32.43 H new ATOM 0 HG13 VAL A 60 -10.425 1.935 0.940 1.00 32.43 H new ATOM 0 HG21 VAL A 60 -7.953 3.780 1.016 1.00 32.13 H new ATOM 0 HG22 VAL A 60 -9.170 3.713 2.313 1.00 32.13 H new ATOM 0 HG23 VAL A 60 -7.452 3.437 2.689 1.00 32.13 H new ATOM 933 N ASN A 61 -9.817 2.277 4.858 1.00 70.33 N ATOM 934 CA ASN A 61 -10.868 2.995 5.570 1.00 71.23 C ATOM 935 C ASN A 61 -12.125 2.140 5.692 1.00 63.54 C ATOM 936 O ASN A 61 -13.243 2.643 5.595 1.00 12.41 O ATOM 937 CB ASN A 61 -11.195 4.305 4.852 1.00 42.30 C ATOM 938 CG ASN A 61 -12.134 5.185 5.655 1.00 73.03 C ATOM 939 OD1 ASN A 61 -11.816 5.382 6.929 1.00 33.13 O flip ATOM 940 ND2 ASN A 61 -13.133 5.682 5.135 1.00 61.31 N flip ATOM 0 H ASN A 61 -8.949 2.170 5.383 1.00 70.33 H new ATOM 0 HA ASN A 61 -10.505 3.219 6.573 1.00 71.23 H new ATOM 0 HB2 ASN A 61 -10.271 4.849 4.655 1.00 42.30 H new ATOM 0 HB3 ASN A 61 -11.647 4.083 3.885 1.00 42.30 H new ATOM 0 HD21 ASN A 61 -13.339 5.504 4.152 1.00 61.31 H new ATOM 0 HD22 ASN A 61 -13.755 6.272 5.687 1.00 61.31 H new ATOM 946 N GLY A 62 -11.933 0.841 5.905 1.00 22.42 N ATOM 947 CA GLY A 62 -13.059 -0.064 6.036 1.00 12.24 C ATOM 948 C GLY A 62 -13.805 -0.256 4.730 1.00 42.45 C ATOM 949 O GLY A 62 -15.028 -0.141 4.683 1.00 34.02 O ATOM 0 H GLY A 62 -11.017 0.400 5.989 1.00 22.42 H new ATOM 0 HA2 GLY A 62 -12.704 -1.031 6.394 1.00 12.24 H new ATOM 0 HA3 GLY A 62 -13.746 0.322 6.789 1.00 12.24 H new ATOM 953 N ASN A 63 -13.064 -0.549 3.666 1.00 72.05 N ATOM 954 CA ASN A 63 -13.661 -0.756 2.352 1.00 10.34 C ATOM 955 C ASN A 63 -12.592 -1.076 1.312 1.00 44.02 C ATOM 956 O ASN A 63 -11.440 -1.339 1.653 1.00 31.42 O ATOM 957 CB ASN A 63 -14.448 0.485 1.925 1.00 42.23 C ATOM 958 CG ASN A 63 -15.855 0.150 1.471 1.00 30.32 C ATOM 959 OD1 ASN A 63 -16.201 0.329 0.303 1.00 0.14 O ATOM 960 ND2 ASN A 63 -16.674 -0.339 2.394 1.00 1.32 N ATOM 0 H ASN A 63 -12.049 -0.648 3.688 1.00 72.05 H new ATOM 0 HA ASN A 63 -14.342 -1.605 2.420 1.00 10.34 H new ATOM 0 HB2 ASN A 63 -14.495 1.186 2.758 1.00 42.23 H new ATOM 0 HB3 ASN A 63 -13.918 0.987 1.116 1.00 42.23 H new ATOM 0 HD21 ASN A 63 -17.633 -0.583 2.147 1.00 1.32 H new ATOM 0 HD22 ASN A 63 -16.344 -0.471 3.350 1.00 1.32 H new ATOM 966 N ASN A 64 -12.983 -1.053 0.042 1.00 14.42 N ATOM 967 CA ASN A 64 -12.059 -1.340 -1.048 1.00 72.45 C ATOM 968 C ASN A 64 -12.070 -0.218 -2.082 1.00 43.24 C ATOM 969 O ASN A 64 -13.132 0.214 -2.531 1.00 72.22 O ATOM 970 CB ASN A 64 -12.423 -2.668 -1.716 1.00 74.24 C ATOM 971 CG ASN A 64 -13.907 -2.784 -2.001 1.00 21.24 C ATOM 972 OD1 ASN A 64 -14.723 -2.860 -1.083 1.00 63.14 O ATOM 973 ND2 ASN A 64 -14.264 -2.797 -3.280 1.00 34.32 N ATOM 0 H ASN A 64 -13.934 -0.838 -0.257 1.00 14.42 H new ATOM 0 HA ASN A 64 -11.055 -1.414 -0.630 1.00 72.45 H new ATOM 0 HB2 ASN A 64 -11.868 -2.766 -2.649 1.00 74.24 H new ATOM 0 HB3 ASN A 64 -12.114 -3.492 -1.073 1.00 74.24 H new ATOM 0 HD21 ASN A 64 -15.249 -2.872 -3.534 1.00 34.32 H new ATOM 0 HD22 ASN A 64 -13.553 -2.732 -4.009 1.00 34.32 H new ATOM 979 N ILE A 65 -10.883 0.248 -2.453 1.00 32.34 N ATOM 980 CA ILE A 65 -10.757 1.319 -3.436 1.00 43.42 C ATOM 981 C ILE A 65 -11.435 0.944 -4.748 1.00 65.11 C ATOM 982 O ILE A 65 -11.958 1.803 -5.458 1.00 31.32 O ATOM 983 CB ILE A 65 -9.279 1.658 -3.712 1.00 3.43 C ATOM 984 CG1 ILE A 65 -8.573 0.463 -4.355 1.00 74.52 C ATOM 985 CG2 ILE A 65 -8.580 2.064 -2.424 1.00 61.30 C ATOM 986 CD1 ILE A 65 -7.108 0.712 -4.645 1.00 13.44 C ATOM 0 H ILE A 65 -9.995 -0.098 -2.089 1.00 32.34 H new ATOM 0 HA ILE A 65 -11.250 2.195 -3.014 1.00 43.42 H new ATOM 0 HB ILE A 65 -9.236 2.498 -4.405 1.00 3.43 H new ATOM 0 HG12 ILE A 65 -8.663 -0.400 -3.696 1.00 74.52 H new ATOM 0 HG13 ILE A 65 -9.081 0.208 -5.285 1.00 74.52 H new ATOM 0 HG21 ILE A 65 -7.537 2.300 -2.635 1.00 61.30 H new ATOM 0 HG22 ILE A 65 -9.073 2.940 -2.003 1.00 61.30 H new ATOM 0 HG23 ILE A 65 -8.628 1.243 -1.709 1.00 61.30 H new ATOM 0 HD11 ILE A 65 -6.671 -0.177 -5.100 1.00 13.44 H new ATOM 0 HD12 ILE A 65 -7.011 1.555 -5.329 1.00 13.44 H new ATOM 0 HD13 ILE A 65 -6.586 0.937 -3.715 1.00 13.44 H new ATOM 997 N THR A 66 -11.424 -0.348 -5.066 1.00 13.30 N ATOM 998 CA THR A 66 -12.039 -0.838 -6.292 1.00 20.44 C ATOM 999 C THR A 66 -13.534 -0.543 -6.314 1.00 24.21 C ATOM 1000 O THR A 66 -14.134 -0.404 -7.380 1.00 30.14 O ATOM 1001 CB THR A 66 -11.824 -2.354 -6.462 1.00 74.35 C ATOM 1002 OG1 THR A 66 -12.351 -3.054 -5.330 1.00 14.32 O ATOM 1003 CG2 THR A 66 -10.345 -2.676 -6.620 1.00 54.44 C ATOM 0 H THR A 66 -10.995 -1.073 -4.490 1.00 13.30 H new ATOM 0 HA THR A 66 -11.556 -0.315 -7.118 1.00 20.44 H new ATOM 0 HB THR A 66 -12.348 -2.674 -7.362 1.00 74.35 H new ATOM 0 HG1 THR A 66 -12.212 -4.017 -5.447 1.00 14.32 H new ATOM 0 HG21 THR A 66 -10.218 -3.752 -6.738 1.00 54.44 H new ATOM 0 HG22 THR A 66 -9.953 -2.165 -7.500 1.00 54.44 H new ATOM 0 HG23 THR A 66 -9.803 -2.342 -5.735 1.00 54.44 H new ATOM 1011 N SER A 67 -14.132 -0.450 -5.130 1.00 30.43 N ATOM 1012 CA SER A 67 -15.559 -0.174 -5.014 1.00 5.12 C ATOM 1013 C SER A 67 -15.946 1.048 -5.840 1.00 52.35 C ATOM 1014 O SER A 67 -16.947 1.038 -6.555 1.00 45.51 O ATOM 1015 CB SER A 67 -15.940 0.043 -3.549 1.00 12.24 C ATOM 1016 OG SER A 67 -17.281 0.487 -3.431 1.00 53.32 O ATOM 0 H SER A 67 -13.650 -0.562 -4.238 1.00 30.43 H new ATOM 0 HA SER A 67 -16.103 -1.036 -5.399 1.00 5.12 H new ATOM 0 HB2 SER A 67 -15.811 -0.887 -2.995 1.00 12.24 H new ATOM 0 HB3 SER A 67 -15.270 0.776 -3.101 1.00 12.24 H new ATOM 0 HG SER A 67 -17.501 0.617 -2.485 1.00 53.32 H new ATOM 1021 N MET A 68 -15.143 2.102 -5.735 1.00 35.33 N ATOM 1022 CA MET A 68 -15.400 3.335 -6.472 1.00 24.40 C ATOM 1023 C MET A 68 -14.236 3.664 -7.402 1.00 3.22 C ATOM 1024 O MET A 68 -14.322 3.467 -8.614 1.00 73.20 O ATOM 1025 CB MET A 68 -15.638 4.493 -5.503 1.00 34.22 C ATOM 1026 CG MET A 68 -15.092 4.241 -4.108 1.00 11.21 C ATOM 1027 SD MET A 68 -15.358 5.635 -2.995 1.00 50.40 S ATOM 1028 CE MET A 68 -15.378 4.803 -1.409 1.00 22.20 C ATOM 0 H MET A 68 -14.310 2.127 -5.147 1.00 35.33 H new ATOM 0 HA MET A 68 -16.295 3.188 -7.077 1.00 24.40 H new ATOM 0 HB2 MET A 68 -15.177 5.394 -5.907 1.00 34.22 H new ATOM 0 HB3 MET A 68 -16.709 4.685 -5.436 1.00 34.22 H new ATOM 0 HG2 MET A 68 -15.567 3.353 -3.691 1.00 11.21 H new ATOM 0 HG3 MET A 68 -14.024 4.031 -4.172 1.00 11.21 H new ATOM 0 HE1 MET A 68 -15.534 5.535 -0.616 1.00 22.20 H new ATOM 0 HE2 MET A 68 -16.186 4.072 -1.392 1.00 22.20 H new ATOM 0 HE3 MET A 68 -14.426 4.296 -1.252 1.00 22.20 H new ATOM 1036 N LYS A 69 -13.149 4.167 -6.827 1.00 12.44 N ATOM 1037 CA LYS A 69 -11.967 4.524 -7.603 1.00 0.43 C ATOM 1038 C LYS A 69 -10.751 3.730 -7.137 1.00 72.11 C ATOM 1039 O LYS A 69 -10.369 3.789 -5.970 1.00 13.14 O ATOM 1040 CB LYS A 69 -11.687 6.023 -7.483 1.00 33.44 C ATOM 1041 CG LYS A 69 -12.404 6.861 -8.529 1.00 71.24 C ATOM 1042 CD LYS A 69 -12.713 8.255 -8.010 1.00 4.30 C ATOM 1043 CE LYS A 69 -13.153 9.183 -9.132 1.00 60.10 C ATOM 1044 NZ LYS A 69 -14.376 8.681 -9.819 1.00 74.31 N ATOM 0 H LYS A 69 -13.062 4.337 -5.825 1.00 12.44 H new ATOM 0 HA LYS A 69 -12.161 4.279 -8.647 1.00 0.43 H new ATOM 0 HB2 LYS A 69 -11.986 6.362 -6.491 1.00 33.44 H new ATOM 0 HB3 LYS A 69 -10.613 6.192 -7.568 1.00 33.44 H new ATOM 0 HG2 LYS A 69 -11.786 6.934 -9.424 1.00 71.24 H new ATOM 0 HG3 LYS A 69 -13.331 6.366 -8.820 1.00 71.24 H new ATOM 0 HD2 LYS A 69 -13.497 8.198 -7.255 1.00 4.30 H new ATOM 0 HD3 LYS A 69 -11.830 8.666 -7.521 1.00 4.30 H new ATOM 0 HE2 LYS A 69 -13.346 10.177 -8.727 1.00 60.10 H new ATOM 0 HE3 LYS A 69 -12.345 9.285 -9.857 1.00 60.10 H new ATOM 0 HZ1 LYS A 69 -14.703 9.389 -10.508 1.00 74.31 H new ATOM 0 HZ2 LYS A 69 -14.157 7.793 -10.313 1.00 74.31 H new ATOM 0 HZ3 LYS A 69 -15.124 8.511 -9.116 1.00 74.31 H new ATOM 1054 N GLY A 70 -10.146 2.988 -8.060 1.00 31.41 N ATOM 1055 CA GLY A 70 -8.978 2.194 -7.724 1.00 35.31 C ATOM 1056 C GLY A 70 -7.852 3.033 -7.153 1.00 64.34 C ATOM 1057 O GLY A 70 -7.815 3.302 -5.952 1.00 32.33 O ATOM 0 H GLY A 70 -10.443 2.923 -9.033 1.00 31.41 H new ATOM 0 HA2 GLY A 70 -9.259 1.428 -7.001 1.00 35.31 H new ATOM 0 HA3 GLY A 70 -8.625 1.677 -8.616 1.00 35.31 H new ATOM 1061 N LEU A 71 -6.928 3.445 -8.015 1.00 2.12 N ATOM 1062 CA LEU A 71 -5.793 4.257 -7.590 1.00 13.22 C ATOM 1063 C LEU A 71 -6.220 5.701 -7.341 1.00 63.43 C ATOM 1064 O LEU A 71 -5.491 6.475 -6.718 1.00 24.23 O ATOM 1065 CB LEU A 71 -4.687 4.214 -8.645 1.00 53.42 C ATOM 1066 CG LEU A 71 -3.271 4.508 -8.145 1.00 4.31 C ATOM 1067 CD1 LEU A 71 -2.566 3.220 -7.751 1.00 4.40 C ATOM 1068 CD2 LEU A 71 -2.474 5.251 -9.208 1.00 3.32 C ATOM 0 H LEU A 71 -6.943 3.230 -9.012 1.00 2.12 H new ATOM 0 HA LEU A 71 -5.411 3.844 -6.656 1.00 13.22 H new ATOM 0 HB2 LEU A 71 -4.690 3.226 -9.106 1.00 53.42 H new ATOM 0 HB3 LEU A 71 -4.931 4.932 -9.428 1.00 53.42 H new ATOM 0 HG LEU A 71 -3.342 5.143 -7.262 1.00 4.31 H new ATOM 0 HD11 LEU A 71 -1.560 3.449 -7.398 1.00 4.40 H new ATOM 0 HD12 LEU A 71 -3.126 2.727 -6.956 1.00 4.40 H new ATOM 0 HD13 LEU A 71 -2.505 2.559 -8.616 1.00 4.40 H new ATOM 0 HD21 LEU A 71 -1.470 5.452 -8.835 1.00 3.32 H new ATOM 0 HD22 LEU A 71 -2.412 4.641 -10.109 1.00 3.32 H new ATOM 0 HD23 LEU A 71 -2.969 6.193 -9.442 1.00 3.32 H new ATOM 1079 N ASP A 72 -7.402 6.055 -7.830 1.00 41.10 N ATOM 1080 CA ASP A 72 -7.928 7.405 -7.658 1.00 64.14 C ATOM 1081 C ASP A 72 -8.604 7.556 -6.300 1.00 41.21 C ATOM 1082 O ASP A 72 -9.197 8.593 -6.001 1.00 63.03 O ATOM 1083 CB ASP A 72 -8.919 7.735 -8.775 1.00 52.32 C ATOM 1084 CG ASP A 72 -8.252 8.404 -9.962 1.00 2.21 C ATOM 1085 OD1 ASP A 72 -7.005 8.454 -9.991 1.00 70.35 O ATOM 1086 OD2 ASP A 72 -8.978 8.875 -10.861 1.00 23.24 O ATOM 0 H ASP A 72 -8.015 5.427 -8.349 1.00 41.10 H new ATOM 0 HA ASP A 72 -7.092 8.103 -7.707 1.00 64.14 H new ATOM 0 HB2 ASP A 72 -9.408 6.819 -9.106 1.00 52.32 H new ATOM 0 HB3 ASP A 72 -9.698 8.389 -8.384 1.00 52.32 H new ATOM 1090 N THR A 73 -8.512 6.514 -5.479 1.00 52.12 N ATOM 1091 CA THR A 73 -9.116 6.530 -4.153 1.00 41.21 C ATOM 1092 C THR A 73 -8.522 7.639 -3.291 1.00 64.00 C ATOM 1093 O THR A 73 -7.324 7.910 -3.353 1.00 74.30 O ATOM 1094 CB THR A 73 -8.929 5.181 -3.434 1.00 2.41 C ATOM 1095 OG1 THR A 73 -10.137 4.416 -3.505 1.00 22.21 O ATOM 1096 CG2 THR A 73 -8.542 5.391 -1.978 1.00 75.33 C ATOM 0 H THR A 73 -8.025 5.648 -5.710 1.00 52.12 H new ATOM 0 HA THR A 73 -10.181 6.714 -4.294 1.00 41.21 H new ATOM 0 HB THR A 73 -8.125 4.639 -3.932 1.00 2.41 H new ATOM 0 HG1 THR A 73 -10.423 4.343 -4.439 1.00 22.21 H new ATOM 0 HG21 THR A 73 -8.416 4.424 -1.492 1.00 75.33 H new ATOM 0 HG22 THR A 73 -7.606 5.948 -1.927 1.00 75.33 H new ATOM 0 HG23 THR A 73 -9.326 5.952 -1.470 1.00 75.33 H new ATOM 1104 N GLU A 74 -9.369 8.274 -2.487 1.00 31.03 N ATOM 1105 CA GLU A 74 -8.926 9.354 -1.613 1.00 32.24 C ATOM 1106 C GLU A 74 -8.889 8.895 -0.158 1.00 0.11 C ATOM 1107 O GLU A 74 -9.847 8.305 0.343 1.00 35.55 O ATOM 1108 CB GLU A 74 -9.850 10.566 -1.754 1.00 42.13 C ATOM 1109 CG GLU A 74 -9.715 11.569 -0.621 1.00 52.34 C ATOM 1110 CD GLU A 74 -9.695 13.004 -1.110 1.00 62.51 C ATOM 1111 OE1 GLU A 74 -8.624 13.463 -1.558 1.00 32.42 O ATOM 1112 OE2 GLU A 74 -10.752 13.667 -1.046 1.00 51.03 O ATOM 0 H GLU A 74 -10.364 8.060 -2.423 1.00 31.03 H new ATOM 0 HA GLU A 74 -7.917 9.639 -1.912 1.00 32.24 H new ATOM 0 HB2 GLU A 74 -9.637 11.067 -2.699 1.00 42.13 H new ATOM 0 HB3 GLU A 74 -10.883 10.221 -1.802 1.00 42.13 H new ATOM 0 HG2 GLU A 74 -10.543 11.438 0.075 1.00 52.34 H new ATOM 0 HG3 GLU A 74 -8.798 11.365 -0.068 1.00 52.34 H new ATOM 1117 N ILE A 75 -7.776 9.170 0.515 1.00 23.12 N ATOM 1118 CA ILE A 75 -7.614 8.786 1.911 1.00 64.13 C ATOM 1119 C ILE A 75 -7.253 9.990 2.773 1.00 53.34 C ATOM 1120 O ILE A 75 -6.372 10.776 2.425 1.00 55.20 O ATOM 1121 CB ILE A 75 -6.527 7.707 2.076 1.00 34.54 C ATOM 1122 CG1 ILE A 75 -5.321 8.028 1.190 1.00 71.04 C ATOM 1123 CG2 ILE A 75 -7.088 6.333 1.739 1.00 34.52 C ATOM 1124 CD1 ILE A 75 -4.188 7.034 1.329 1.00 31.24 C ATOM 0 H ILE A 75 -6.974 9.657 0.115 1.00 23.12 H new ATOM 0 HA ILE A 75 -8.571 8.380 2.240 1.00 64.13 H new ATOM 0 HB ILE A 75 -6.199 7.699 3.115 1.00 34.54 H new ATOM 0 HG12 ILE A 75 -5.643 8.057 0.149 1.00 71.04 H new ATOM 0 HG13 ILE A 75 -4.953 9.024 1.438 1.00 71.04 H new ATOM 0 HG21 ILE A 75 -6.308 5.582 1.860 1.00 34.52 H new ATOM 0 HG22 ILE A 75 -7.918 6.105 2.407 1.00 34.52 H new ATOM 0 HG23 ILE A 75 -7.440 6.327 0.708 1.00 34.52 H new ATOM 0 HD11 ILE A 75 -3.367 7.324 0.673 1.00 31.24 H new ATOM 0 HD12 ILE A 75 -3.840 7.021 2.362 1.00 31.24 H new ATOM 0 HD13 ILE A 75 -4.540 6.040 1.053 1.00 31.24 H new ATOM 1135 N LYS A 76 -7.940 10.129 3.904 1.00 71.45 N ATOM 1136 CA LYS A 76 -7.690 11.236 4.819 1.00 44.53 C ATOM 1137 C LYS A 76 -6.984 10.749 6.081 1.00 31.21 C ATOM 1138 O LYS A 76 -6.796 9.548 6.275 1.00 2.43 O ATOM 1139 CB LYS A 76 -9.007 11.922 5.191 1.00 73.34 C ATOM 1140 CG LYS A 76 -10.128 10.951 5.517 1.00 31.54 C ATOM 1141 CD LYS A 76 -11.418 11.682 5.851 1.00 23.12 C ATOM 1142 CE LYS A 76 -11.527 11.968 7.341 1.00 72.03 C ATOM 1143 NZ LYS A 76 -12.348 13.179 7.615 1.00 13.23 N ATOM 0 H LYS A 76 -8.674 9.488 4.207 1.00 71.45 H new ATOM 0 HA LYS A 76 -7.042 11.954 4.315 1.00 44.53 H new ATOM 0 HB2 LYS A 76 -8.839 12.571 6.050 1.00 73.34 H new ATOM 0 HB3 LYS A 76 -9.320 12.561 4.365 1.00 73.34 H new ATOM 0 HG2 LYS A 76 -10.294 10.287 4.669 1.00 31.54 H new ATOM 0 HG3 LYS A 76 -9.835 10.325 6.359 1.00 31.54 H new ATOM 0 HD2 LYS A 76 -11.461 12.619 5.296 1.00 23.12 H new ATOM 0 HD3 LYS A 76 -12.270 11.083 5.531 1.00 23.12 H new ATOM 0 HE2 LYS A 76 -11.969 11.108 7.844 1.00 72.03 H new ATOM 0 HE3 LYS A 76 -10.529 12.104 7.759 1.00 72.03 H new ATOM 0 HZ1 LYS A 76 -12.398 13.340 8.641 1.00 13.23 H new ATOM 0 HZ2 LYS A 76 -11.913 14.005 7.156 1.00 13.23 H new ATOM 0 HZ3 LYS A 76 -13.308 13.040 7.239 1.00 13.23 H new ATOM 1153 N ASP A 77 -6.597 11.689 6.936 1.00 2.45 N ATOM 1154 CA ASP A 77 -5.915 11.356 8.181 1.00 52.40 C ATOM 1155 C ASP A 77 -6.713 10.332 8.982 1.00 1.31 C ATOM 1156 O ASP A 77 -6.147 9.543 9.738 1.00 3.32 O ATOM 1157 CB ASP A 77 -5.692 12.616 9.019 1.00 1.24 C ATOM 1158 CG ASP A 77 -6.984 13.166 9.591 1.00 30.23 C ATOM 1159 OD1 ASP A 77 -7.713 13.858 8.851 1.00 21.34 O ATOM 1160 OD2 ASP A 77 -7.266 12.905 10.780 1.00 32.11 O ATOM 0 H ASP A 77 -6.744 12.688 6.790 1.00 2.45 H new ATOM 0 HA ASP A 77 -4.948 10.920 7.930 1.00 52.40 H new ATOM 0 HB2 ASP A 77 -5.004 12.390 9.834 1.00 1.24 H new ATOM 0 HB3 ASP A 77 -5.217 13.379 8.403 1.00 1.24 H new ATOM 1164 N ASP A 78 -8.030 10.352 8.811 1.00 10.12 N ATOM 1165 CA ASP A 78 -8.907 9.426 9.518 1.00 5.04 C ATOM 1166 C ASP A 78 -8.866 8.041 8.876 1.00 33.14 C ATOM 1167 O ASP A 78 -9.009 7.026 9.558 1.00 31.15 O ATOM 1168 CB ASP A 78 -10.343 9.954 9.526 1.00 62.13 C ATOM 1169 CG ASP A 78 -11.133 9.462 10.722 1.00 41.31 C ATOM 1170 OD1 ASP A 78 -10.988 10.052 11.813 1.00 51.11 O ATOM 1171 OD2 ASP A 78 -11.898 8.486 10.568 1.00 54.23 O ATOM 0 H ASP A 78 -8.514 10.999 8.189 1.00 10.12 H new ATOM 0 HA ASP A 78 -8.553 9.342 10.545 1.00 5.04 H new ATOM 0 HB2 ASP A 78 -10.326 11.044 9.528 1.00 62.13 H new ATOM 0 HB3 ASP A 78 -10.846 9.645 8.610 1.00 62.13 H new ATOM 1175 N ASP A 79 -8.670 8.009 7.563 1.00 33.22 N ATOM 1176 CA ASP A 79 -8.610 6.750 6.829 1.00 34.43 C ATOM 1177 C ASP A 79 -7.426 5.908 7.292 1.00 53.30 C ATOM 1178 O ASP A 79 -6.402 6.439 7.722 1.00 13.22 O ATOM 1179 CB ASP A 79 -8.506 7.016 5.327 1.00 21.51 C ATOM 1180 CG ASP A 79 -9.834 7.417 4.716 1.00 21.45 C ATOM 1181 OD1 ASP A 79 -10.655 8.032 5.430 1.00 63.24 O ATOM 1182 OD2 ASP A 79 -10.053 7.117 3.524 1.00 23.03 O ATOM 0 H ASP A 79 -8.550 8.840 6.984 1.00 33.22 H new ATOM 0 HA ASP A 79 -9.527 6.196 7.029 1.00 34.43 H new ATOM 0 HB2 ASP A 79 -7.775 7.805 5.151 1.00 21.51 H new ATOM 0 HB3 ASP A 79 -8.135 6.121 4.827 1.00 21.51 H new ATOM 1186 N LYS A 80 -7.574 4.590 7.204 1.00 40.01 N ATOM 1187 CA LYS A 80 -6.518 3.672 7.613 1.00 52.25 C ATOM 1188 C LYS A 80 -6.437 2.478 6.668 1.00 21.15 C ATOM 1189 O LYS A 80 -7.460 1.911 6.282 1.00 63.11 O ATOM 1190 CB LYS A 80 -6.761 3.187 9.044 1.00 12.11 C ATOM 1191 CG LYS A 80 -8.027 2.362 9.199 1.00 41.24 C ATOM 1192 CD LYS A 80 -8.621 2.507 10.589 1.00 52.53 C ATOM 1193 CE LYS A 80 -7.822 1.727 11.622 1.00 5.14 C ATOM 1194 NZ LYS A 80 -8.057 0.260 11.513 1.00 53.31 N ATOM 0 H LYS A 80 -8.416 4.134 6.853 1.00 40.01 H new ATOM 0 HA LYS A 80 -5.570 4.209 7.573 1.00 52.25 H new ATOM 0 HB2 LYS A 80 -5.907 2.591 9.367 1.00 12.11 H new ATOM 0 HB3 LYS A 80 -6.816 4.050 9.707 1.00 12.11 H new ATOM 0 HG2 LYS A 80 -8.760 2.675 8.455 1.00 41.24 H new ATOM 0 HG3 LYS A 80 -7.804 1.313 9.005 1.00 41.24 H new ATOM 0 HD2 LYS A 80 -8.646 3.561 10.867 1.00 52.53 H new ATOM 0 HD3 LYS A 80 -9.652 2.154 10.583 1.00 52.53 H new ATOM 0 HE2 LYS A 80 -6.760 1.935 11.493 1.00 5.14 H new ATOM 0 HE3 LYS A 80 -8.094 2.065 12.622 1.00 5.14 H new ATOM 0 HZ1 LYS A 80 -7.619 -0.223 12.323 1.00 53.31 H new ATOM 0 HZ2 LYS A 80 -9.080 0.072 11.509 1.00 53.31 H new ATOM 0 HZ3 LYS A 80 -7.636 -0.094 10.630 1.00 53.31 H new ATOM 1204 N ILE A 81 -5.217 2.102 6.299 1.00 14.12 N ATOM 1205 CA ILE A 81 -5.004 0.974 5.401 1.00 3.54 C ATOM 1206 C ILE A 81 -4.510 -0.250 6.164 1.00 61.10 C ATOM 1207 O ILE A 81 -3.688 -0.137 7.073 1.00 21.31 O ATOM 1208 CB ILE A 81 -3.992 1.319 4.293 1.00 4.20 C ATOM 1209 CG1 ILE A 81 -4.404 2.610 3.581 1.00 65.25 C ATOM 1210 CG2 ILE A 81 -3.882 0.171 3.301 1.00 73.52 C ATOM 1211 CD1 ILE A 81 -3.809 3.856 4.198 1.00 30.42 C ATOM 0 H ILE A 81 -4.361 2.562 6.608 1.00 14.12 H new ATOM 0 HA ILE A 81 -5.967 0.749 4.943 1.00 3.54 H new ATOM 0 HB ILE A 81 -3.014 1.474 4.748 1.00 4.20 H new ATOM 0 HG12 ILE A 81 -4.101 2.552 2.536 1.00 65.25 H new ATOM 0 HG13 ILE A 81 -5.491 2.691 3.594 1.00 65.25 H new ATOM 0 HG21 ILE A 81 -3.163 0.430 2.524 1.00 73.52 H new ATOM 0 HG22 ILE A 81 -3.548 -0.728 3.820 1.00 73.52 H new ATOM 0 HG23 ILE A 81 -4.856 -0.013 2.848 1.00 73.52 H new ATOM 0 HD11 ILE A 81 -4.143 4.732 3.643 1.00 30.42 H new ATOM 0 HD12 ILE A 81 -4.133 3.938 5.236 1.00 30.42 H new ATOM 0 HD13 ILE A 81 -2.721 3.796 4.161 1.00 30.42 H new ATOM 1222 N ASP A 82 -5.014 -1.420 5.786 1.00 31.15 N ATOM 1223 CA ASP A 82 -4.621 -2.666 6.431 1.00 4.51 C ATOM 1224 C ASP A 82 -4.071 -3.658 5.411 1.00 33.41 C ATOM 1225 O ASP A 82 -4.305 -3.522 4.209 1.00 30.34 O ATOM 1226 CB ASP A 82 -5.812 -3.282 7.168 1.00 3.23 C ATOM 1227 CG ASP A 82 -6.481 -4.383 6.369 1.00 52.41 C ATOM 1228 OD1 ASP A 82 -7.310 -4.061 5.492 1.00 24.21 O ATOM 1229 OD2 ASP A 82 -6.174 -5.568 6.620 1.00 34.34 O ATOM 0 H ASP A 82 -5.696 -1.531 5.036 1.00 31.15 H new ATOM 0 HA ASP A 82 -3.835 -2.440 7.151 1.00 4.51 H new ATOM 0 HB2 ASP A 82 -5.476 -3.684 8.124 1.00 3.23 H new ATOM 0 HB3 ASP A 82 -6.541 -2.503 7.389 1.00 3.23 H new ATOM 1233 N LEU A 83 -3.338 -4.654 5.896 1.00 2.21 N ATOM 1234 CA LEU A 83 -2.754 -5.668 5.026 1.00 1.14 C ATOM 1235 C LEU A 83 -2.887 -7.057 5.642 1.00 50.54 C ATOM 1236 O LEU A 83 -2.421 -7.301 6.756 1.00 33.20 O ATOM 1237 CB LEU A 83 -1.280 -5.354 4.761 1.00 51.41 C ATOM 1238 CG LEU A 83 -0.680 -5.968 3.497 1.00 35.42 C ATOM 1239 CD1 LEU A 83 -0.621 -7.483 3.614 1.00 52.12 C ATOM 1240 CD2 LEU A 83 -1.482 -5.557 2.271 1.00 14.55 C ATOM 0 H LEU A 83 -3.134 -4.781 6.887 1.00 2.21 H new ATOM 0 HA LEU A 83 -3.297 -5.657 4.081 1.00 1.14 H new ATOM 0 HB2 LEU A 83 -1.164 -4.272 4.705 1.00 51.41 H new ATOM 0 HB3 LEU A 83 -0.697 -5.693 5.617 1.00 51.41 H new ATOM 0 HG LEU A 83 0.337 -5.593 3.383 1.00 35.42 H new ATOM 0 HD11 LEU A 83 -0.191 -7.902 2.704 1.00 52.12 H new ATOM 0 HD12 LEU A 83 -0.002 -7.758 4.468 1.00 52.12 H new ATOM 0 HD13 LEU A 83 -1.628 -7.877 3.754 1.00 52.12 H new ATOM 0 HD21 LEU A 83 -1.040 -6.004 1.380 1.00 14.55 H new ATOM 0 HD22 LEU A 83 -2.511 -5.901 2.377 1.00 14.55 H new ATOM 0 HD23 LEU A 83 -1.471 -4.471 2.176 1.00 14.55 H new ATOM 1251 N PHE A 84 -3.523 -7.966 4.910 1.00 54.44 N ATOM 1252 CA PHE A 84 -3.715 -9.330 5.385 1.00 25.01 C ATOM 1253 C PHE A 84 -3.193 -10.340 4.366 1.00 52.50 C ATOM 1254 O PHE A 84 -3.359 -10.181 3.157 1.00 41.24 O ATOM 1255 CB PHE A 84 -5.197 -9.592 5.664 1.00 43.31 C ATOM 1256 CG PHE A 84 -5.471 -10.051 7.068 1.00 33.20 C ATOM 1257 CD1 PHE A 84 -5.426 -9.156 8.125 1.00 73.11 C ATOM 1258 CD2 PHE A 84 -5.775 -11.376 7.331 1.00 43.10 C ATOM 1259 CE1 PHE A 84 -5.676 -9.575 9.417 1.00 33.13 C ATOM 1260 CE2 PHE A 84 -6.027 -11.802 8.621 1.00 55.41 C ATOM 1261 CZ PHE A 84 -5.979 -10.899 9.666 1.00 62.42 C ATOM 0 H PHE A 84 -3.914 -7.782 3.986 1.00 54.44 H new ATOM 0 HA PHE A 84 -3.151 -9.448 6.310 1.00 25.01 H new ATOM 0 HB2 PHE A 84 -5.761 -8.680 5.472 1.00 43.31 H new ATOM 0 HB3 PHE A 84 -5.562 -10.346 4.966 1.00 43.31 H new ATOM 0 HD1 PHE A 84 -5.193 -8.119 7.936 1.00 73.11 H new ATOM 0 HD2 PHE A 84 -5.816 -12.085 6.518 1.00 43.10 H new ATOM 0 HE1 PHE A 84 -5.635 -8.868 10.232 1.00 33.13 H new ATOM 0 HE2 PHE A 84 -6.261 -12.839 8.812 1.00 55.41 H new ATOM 0 HZ PHE A 84 -6.178 -11.228 10.675 1.00 62.42 H new ATOM 1270 N PRO A 85 -2.545 -11.402 4.866 1.00 43.03 N ATOM 1271 CA PRO A 85 -1.983 -12.458 4.018 1.00 24.45 C ATOM 1272 C PRO A 85 -3.065 -13.305 3.356 1.00 43.13 C ATOM 1273 O PRO A 85 -4.228 -13.298 3.760 1.00 51.53 O ATOM 1274 CB PRO A 85 -1.166 -13.303 4.998 1.00 24.51 C ATOM 1275 CG PRO A 85 -1.806 -13.072 6.322 1.00 54.32 C ATOM 1276 CD PRO A 85 -2.309 -11.656 6.297 1.00 54.31 C ATOM 0 HA PRO A 85 -1.396 -12.051 3.194 1.00 24.45 H new ATOM 0 HB2 PRO A 85 -1.189 -14.358 4.726 1.00 24.51 H new ATOM 0 HB3 PRO A 85 -0.119 -12.999 5.006 1.00 24.51 H new ATOM 0 HG2 PRO A 85 -2.623 -13.774 6.488 1.00 54.32 H new ATOM 0 HG3 PRO A 85 -1.091 -13.218 7.132 1.00 54.32 H new ATOM 0 HD2 PRO A 85 -3.223 -11.544 6.881 1.00 54.31 H new ATOM 0 HD3 PRO A 85 -1.578 -10.963 6.713 1.00 54.31 H new ATOM 1281 N PRO A 86 -2.676 -14.055 2.313 1.00 53.01 N ATOM 1282 CA PRO A 86 -3.597 -14.922 1.574 1.00 32.50 C ATOM 1283 C PRO A 86 -4.046 -16.126 2.396 1.00 34.15 C ATOM 1284 O PRO A 86 -3.327 -16.587 3.283 1.00 23.23 O ATOM 1285 CB PRO A 86 -2.768 -15.376 0.370 1.00 64.32 C ATOM 1286 CG PRO A 86 -1.352 -15.276 0.825 1.00 10.45 C ATOM 1287 CD PRO A 86 -1.306 -14.112 1.776 1.00 32.23 C ATOM 0 HA PRO A 86 -4.517 -14.403 1.304 1.00 32.50 H new ATOM 0 HB2 PRO A 86 -3.019 -16.396 0.079 1.00 64.32 H new ATOM 0 HB3 PRO A 86 -2.951 -14.742 -0.498 1.00 64.32 H new ATOM 0 HG2 PRO A 86 -1.034 -16.195 1.317 1.00 10.45 H new ATOM 0 HG3 PRO A 86 -0.681 -15.118 -0.019 1.00 10.45 H new ATOM 0 HD2 PRO A 86 -0.571 -14.267 2.566 1.00 32.23 H new ATOM 0 HD3 PRO A 86 -1.035 -13.187 1.266 1.00 32.23 H new ATOM 1292 N VAL A 87 -5.238 -16.630 2.097 1.00 24.31 N ATOM 1293 CA VAL A 87 -5.782 -17.781 2.807 1.00 44.42 C ATOM 1294 C VAL A 87 -4.797 -18.945 2.804 1.00 35.34 C ATOM 1295 O VAL A 87 -4.783 -19.762 3.724 1.00 10.10 O ATOM 1296 CB VAL A 87 -7.113 -18.247 2.186 1.00 70.42 C ATOM 1297 CG1 VAL A 87 -8.232 -17.276 2.530 1.00 63.52 C ATOM 1298 CG2 VAL A 87 -6.972 -18.399 0.679 1.00 72.50 C ATOM 0 H VAL A 87 -5.846 -16.259 1.367 1.00 24.31 H new ATOM 0 HA VAL A 87 -5.961 -17.463 3.834 1.00 44.42 H new ATOM 0 HB VAL A 87 -7.369 -19.220 2.604 1.00 70.42 H new ATOM 0 HG11 VAL A 87 -9.164 -17.622 2.083 1.00 63.52 H new ATOM 0 HG12 VAL A 87 -8.347 -17.222 3.613 1.00 63.52 H new ATOM 0 HG13 VAL A 87 -7.988 -16.287 2.141 1.00 63.52 H new ATOM 0 HG21 VAL A 87 -7.921 -18.729 0.256 1.00 72.50 H new ATOM 0 HG22 VAL A 87 -6.693 -17.441 0.241 1.00 72.50 H new ATOM 0 HG23 VAL A 87 -6.201 -19.137 0.458 1.00 72.50 H new ATOM 1308 N ALA A 88 -3.974 -19.012 1.763 1.00 64.15 N ATOM 1309 CA ALA A 88 -2.983 -20.075 1.641 1.00 53.21 C ATOM 1310 C ALA A 88 -1.694 -19.710 2.370 1.00 35.34 C ATOM 1311 O ALA A 88 -1.282 -20.395 3.304 1.00 61.44 O ATOM 1312 CB ALA A 88 -2.698 -20.365 0.175 1.00 11.24 C ATOM 0 H ALA A 88 -3.973 -18.344 0.992 1.00 64.15 H new ATOM 0 HA ALA A 88 -3.391 -20.973 2.105 1.00 53.21 H new ATOM 0 HB1 ALA A 88 -1.957 -21.160 0.099 1.00 11.24 H new ATOM 0 HB2 ALA A 88 -3.618 -20.678 -0.320 1.00 11.24 H new ATOM 0 HB3 ALA A 88 -2.315 -19.465 -0.306 1.00 11.24 H new