USER MOD reduce.3.24.130724 H: found=0, std=0, add=813, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 816 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 73 SER OG : rot 163:sc= -0.785 USER MOD Set 1.2: A 76 GLN : amide:sc= -0.0622 K(o=-0.85,f=-2) USER MOD Set 2.1: A 55 LYS NZ :NH3+ -136:sc= 1.23 (180deg=0) USER MOD Set 2.2: A 145 ASN : amide:sc= -2.05! C(o=-0.82!,f=-7.2!) USER MOD Set 3.1: A 39 MET CE :methyl -129:sc= 0 (180deg=0) USER MOD Set 3.2: A 44 GLN : amide:sc= -1.68 K(o=-1.7,f=-6.9!) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 125:sc= 1.17 USER MOD Single : A 51 LYS NZ :NH3+ -164:sc=-0.00501 (180deg=-0.246) USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= 0.0383 K(o=0.038,f=-1.2) USER MOD Single : A 71 TYR OH : rot -143:sc= 0.84 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0.0491 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 LYS NZ :NH3+ -172:sc= -0.0184 (180deg=-0.107) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0.117 USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 GLN : amide:sc= -0.645 X(o=-0.65,f=-0.3) USER MOD Single : A 92 LYS NZ :NH3+ -171:sc= -0.0111 (180deg=-0.119) USER MOD Single : A 93 ASN : amide:sc= -0.015 K(o=-0.015,f=-0.94) USER MOD Single : A 95 ASN : amide:sc= 0.609 K(o=0.61,f=-5.5!) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 TYR OH : rot 56:sc= -1.72! USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ -170:sc=-0.00138 (180deg=-0.0959) USER MOD Single : A 110 ASN : amide:sc= -0.266 K(o=-0.27,f=-1) USER MOD Single : A 112 TYR OH : rot 42:sc= 0.589 USER MOD Single : A 113 GLN : amide:sc= -3.13! C(o=-3.1!,f=-9.3!) USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD Single : A 119 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 LYS NZ :NH3+ -165:sc= -0.0259 (180deg=-0.249) USER MOD Single : A 126 TYR OH : rot -157:sc= 1.15 USER MOD Single : A 127 SER OG : rot -150:sc= 0 USER MOD Single : A 133 LYS NZ :NH3+ -136:sc= -0.361 (180deg=-1.1!) USER MOD Single : A 137 SER OG : rot 3:sc= 0.966 USER MOD Single : A 139 ASN :FLIP amide:sc= -0.6 F(o=-1.5,f=-0.6) USER MOD Single : A 148 ASN : amide:sc= -0.271 K(o=-0.27,f=-3.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 39 2.974 6.316 0.109 1.00 51.22 N ATOM 2 CA MET A 39 4.350 5.864 -0.094 1.00 43.41 C ATOM 3 C MET A 39 4.266 4.479 -0.711 1.00 41.23 C ATOM 4 O MET A 39 4.158 3.479 -0.003 1.00 32.22 O ATOM 5 CB MET A 39 5.109 5.816 1.255 1.00 21.11 C ATOM 6 CG MET A 39 6.601 6.031 1.158 1.00 51.34 C ATOM 7 SD MET A 39 7.360 6.000 2.796 1.00 72.43 S ATOM 8 CE MET A 39 9.059 6.402 2.408 1.00 30.52 C ATOM 0 HA MET A 39 4.896 6.547 -0.745 1.00 43.41 H new ATOM 0 HB2 MET A 39 4.690 6.574 1.917 1.00 21.11 H new ATOM 0 HB3 MET A 39 4.926 4.849 1.723 1.00 21.11 H new ATOM 0 HG2 MET A 39 7.045 5.257 0.532 1.00 51.34 H new ATOM 0 HG3 MET A 39 6.805 6.987 0.676 1.00 51.34 H new ATOM 0 HE1 MET A 39 9.721 5.667 2.866 1.00 30.52 H new ATOM 0 HE2 MET A 39 9.198 6.392 1.327 1.00 30.52 H new ATOM 0 HE3 MET A 39 9.296 7.393 2.795 1.00 30.52 H new ATOM 20 N SER A 40 4.245 4.425 -2.017 1.00 2.00 N ATOM 21 CA SER A 40 4.007 3.187 -2.712 1.00 72.32 C ATOM 22 C SER A 40 5.269 2.584 -3.311 1.00 14.34 C ATOM 23 O SER A 40 5.637 2.868 -4.455 1.00 3.42 O ATOM 24 CB SER A 40 2.925 3.377 -3.767 1.00 45.33 C ATOM 25 OG SER A 40 1.737 3.898 -3.173 1.00 52.41 O ATOM 0 H SER A 40 4.391 5.231 -2.625 1.00 2.00 H new ATOM 0 HA SER A 40 3.659 2.466 -1.972 1.00 72.32 H new ATOM 0 HB2 SER A 40 3.279 4.056 -4.542 1.00 45.33 H new ATOM 0 HB3 SER A 40 2.709 2.425 -4.252 1.00 45.33 H new ATOM 0 HG SER A 40 1.051 4.017 -3.863 1.00 52.41 H new ATOM 31 N ARG A 41 5.945 1.809 -2.492 1.00 73.11 N ATOM 32 CA ARG A 41 7.121 1.025 -2.837 1.00 61.22 C ATOM 33 C ARG A 41 7.132 -0.119 -1.839 1.00 23.20 C ATOM 34 O ARG A 41 6.536 0.034 -0.764 1.00 4.22 O ATOM 35 CB ARG A 41 8.446 1.841 -2.706 1.00 74.11 C ATOM 36 CG ARG A 41 8.593 3.019 -3.666 1.00 42.40 C ATOM 37 CD ARG A 41 9.926 3.731 -3.498 1.00 44.24 C ATOM 38 NE ARG A 41 10.017 4.918 -4.361 1.00 3.33 N ATOM 39 CZ ARG A 41 11.023 5.802 -4.378 1.00 53.33 C ATOM 40 NH1 ARG A 41 12.101 5.605 -3.638 1.00 40.33 N ATOM 41 NH2 ARG A 41 10.944 6.875 -5.159 1.00 40.50 N ATOM 0 H ARG A 41 5.678 1.700 -1.514 1.00 73.11 H new ATOM 0 HA ARG A 41 7.071 0.698 -3.876 1.00 61.22 H new ATOM 0 HB2 ARG A 41 8.521 2.216 -1.685 1.00 74.11 H new ATOM 0 HB3 ARG A 41 9.286 1.163 -2.860 1.00 74.11 H new ATOM 0 HG2 ARG A 41 8.499 2.664 -4.692 1.00 42.40 H new ATOM 0 HG3 ARG A 41 7.781 3.726 -3.498 1.00 42.40 H new ATOM 0 HD2 ARG A 41 10.053 4.027 -2.457 1.00 44.24 H new ATOM 0 HD3 ARG A 41 10.739 3.044 -3.735 1.00 44.24 H new ATOM 0 HE ARG A 41 9.244 5.083 -5.005 1.00 3.33 H new ATOM 0 HH11 ARG A 41 12.171 4.775 -3.049 1.00 40.33 H new ATOM 0 HH12 ARG A 41 12.863 6.283 -3.656 1.00 40.33 H new ATOM 0 HH21 ARG A 41 10.120 7.022 -5.742 1.00 40.50 H new ATOM 0 HH22 ARG A 41 11.708 7.551 -5.175 1.00 40.50 H new ATOM 55 N PRO A 42 7.734 -1.284 -2.157 1.00 2.15 N ATOM 56 CA PRO A 42 7.842 -2.397 -1.200 1.00 44.34 C ATOM 57 C PRO A 42 8.493 -1.921 0.104 1.00 3.21 C ATOM 58 O PRO A 42 9.387 -1.051 0.077 1.00 13.43 O ATOM 59 CB PRO A 42 8.735 -3.424 -1.917 1.00 62.50 C ATOM 60 CG PRO A 42 9.321 -2.690 -3.077 1.00 64.22 C ATOM 61 CD PRO A 42 8.328 -1.632 -3.452 1.00 32.43 C ATOM 0 HA PRO A 42 6.873 -2.812 -0.923 1.00 44.34 H new ATOM 0 HB2 PRO A 42 9.514 -3.799 -1.254 1.00 62.50 H new ATOM 0 HB3 PRO A 42 8.156 -4.286 -2.248 1.00 62.50 H new ATOM 0 HG2 PRO A 42 10.280 -2.246 -2.811 1.00 64.22 H new ATOM 0 HG3 PRO A 42 9.503 -3.366 -3.913 1.00 64.22 H new ATOM 0 HD2 PRO A 42 8.807 -0.774 -3.923 1.00 32.43 H new ATOM 0 HD3 PRO A 42 7.582 -2.005 -4.154 1.00 32.43 H new ATOM 69 N ASP A 43 7.988 -2.428 1.236 1.00 61.21 N ATOM 70 CA ASP A 43 8.402 -2.037 2.617 1.00 62.42 C ATOM 71 C ASP A 43 7.816 -0.680 2.994 1.00 60.12 C ATOM 72 O ASP A 43 7.392 -0.441 4.119 1.00 75.23 O ATOM 73 CB ASP A 43 9.930 -2.054 2.842 1.00 45.34 C ATOM 74 CG ASP A 43 10.552 -3.413 2.657 1.00 34.15 C ATOM 75 OD1 ASP A 43 10.374 -4.288 3.525 1.00 25.30 O ATOM 76 OD2 ASP A 43 11.228 -3.645 1.628 1.00 54.14 O ATOM 0 H ASP A 43 7.260 -3.142 1.232 1.00 61.21 H new ATOM 0 HA ASP A 43 7.995 -2.803 3.277 1.00 62.42 H new ATOM 0 HB2 ASP A 43 10.398 -1.352 2.152 1.00 45.34 H new ATOM 0 HB3 ASP A 43 10.144 -1.700 3.850 1.00 45.34 H new ATOM 81 N GLN A 44 7.738 0.191 2.038 1.00 2.21 N ATOM 82 CA GLN A 44 7.136 1.480 2.230 1.00 65.53 C ATOM 83 C GLN A 44 5.623 1.351 2.228 1.00 15.04 C ATOM 84 O GLN A 44 4.911 2.228 2.688 1.00 10.40 O ATOM 85 CB GLN A 44 7.630 2.439 1.184 1.00 41.24 C ATOM 86 CG GLN A 44 9.121 2.678 1.311 1.00 73.45 C ATOM 87 CD GLN A 44 9.688 3.549 0.235 1.00 21.45 C ATOM 88 OE1 GLN A 44 9.016 4.414 -0.316 1.00 72.02 O ATOM 89 NE2 GLN A 44 10.928 3.343 -0.070 1.00 33.31 N ATOM 0 H GLN A 44 8.091 0.030 1.095 1.00 2.21 H new ATOM 0 HA GLN A 44 7.426 1.882 3.201 1.00 65.53 H new ATOM 0 HB2 GLN A 44 7.407 2.045 0.193 1.00 41.24 H new ATOM 0 HB3 GLN A 44 7.099 3.386 1.277 1.00 41.24 H new ATOM 0 HG2 GLN A 44 9.325 3.134 2.280 1.00 73.45 H new ATOM 0 HG3 GLN A 44 9.636 1.717 1.297 1.00 73.45 H new ATOM 0 HE21 GLN A 44 11.457 2.614 0.409 1.00 33.31 H new ATOM 0 HE22 GLN A 44 11.377 3.909 -0.790 1.00 33.31 H new ATOM 98 N ALA A 45 5.158 0.210 1.753 1.00 53.30 N ATOM 99 CA ALA A 45 3.752 -0.147 1.746 1.00 34.42 C ATOM 100 C ALA A 45 3.210 -0.224 3.176 1.00 61.53 C ATOM 101 O ALA A 45 2.055 0.089 3.437 1.00 63.53 O ATOM 102 CB ALA A 45 3.575 -1.475 1.067 1.00 65.13 C ATOM 0 H ALA A 45 5.760 -0.509 1.353 1.00 53.30 H new ATOM 0 HA ALA A 45 3.198 0.620 1.204 1.00 34.42 H new ATOM 0 HB1 ALA A 45 2.518 -1.743 1.062 1.00 65.13 H new ATOM 0 HB2 ALA A 45 3.938 -1.410 0.041 1.00 65.13 H new ATOM 0 HB3 ALA A 45 4.140 -2.237 1.604 1.00 65.13 H new ATOM 108 N LYS A 46 4.056 -0.648 4.086 1.00 41.32 N ATOM 109 CA LYS A 46 3.712 -0.698 5.490 1.00 50.11 C ATOM 110 C LYS A 46 3.999 0.634 6.166 1.00 4.44 C ATOM 111 O LYS A 46 3.361 0.982 7.133 1.00 62.42 O ATOM 112 CB LYS A 46 4.358 -1.917 6.181 1.00 11.10 C ATOM 113 CG LYS A 46 5.794 -2.179 5.815 1.00 34.11 C ATOM 114 CD LYS A 46 6.286 -3.531 6.307 1.00 62.13 C ATOM 115 CE LYS A 46 5.514 -4.670 5.672 1.00 62.31 C ATOM 116 NZ LYS A 46 6.090 -5.981 5.992 1.00 22.43 N ATOM 0 H LYS A 46 5.001 -0.968 3.875 1.00 41.32 H new ATOM 0 HA LYS A 46 2.637 -0.851 5.590 1.00 50.11 H new ATOM 0 HB2 LYS A 46 4.295 -1.777 7.260 1.00 11.10 H new ATOM 0 HB3 LYS A 46 3.771 -2.803 5.940 1.00 11.10 H new ATOM 0 HG2 LYS A 46 5.904 -2.129 4.732 1.00 34.11 H new ATOM 0 HG3 LYS A 46 6.421 -1.393 6.236 1.00 34.11 H new ATOM 0 HD2 LYS A 46 7.347 -3.638 6.079 1.00 62.13 H new ATOM 0 HD3 LYS A 46 6.186 -3.583 7.391 1.00 62.13 H new ATOM 0 HE2 LYS A 46 4.479 -4.638 6.012 1.00 62.31 H new ATOM 0 HE3 LYS A 46 5.499 -4.537 4.590 1.00 62.31 H new ATOM 0 HZ1 LYS A 46 5.528 -6.728 5.536 1.00 22.43 H new ATOM 0 HZ2 LYS A 46 7.070 -6.024 5.645 1.00 22.43 H new ATOM 0 HZ3 LYS A 46 6.081 -6.122 7.022 1.00 22.43 H new ATOM 130 N VAL A 47 4.892 1.429 5.563 1.00 4.51 N ATOM 131 CA VAL A 47 5.193 2.778 6.085 1.00 1.13 C ATOM 132 C VAL A 47 4.013 3.722 5.788 1.00 74.12 C ATOM 133 O VAL A 47 3.588 4.500 6.635 1.00 34.02 O ATOM 134 CB VAL A 47 6.468 3.389 5.427 1.00 44.35 C ATOM 135 CG1 VAL A 47 6.808 4.753 6.013 1.00 10.13 C ATOM 136 CG2 VAL A 47 7.646 2.474 5.568 1.00 1.12 C ATOM 0 H VAL A 47 5.414 1.172 4.726 1.00 4.51 H new ATOM 0 HA VAL A 47 5.362 2.676 7.157 1.00 1.13 H new ATOM 0 HB VAL A 47 6.242 3.515 4.368 1.00 44.35 H new ATOM 0 HG11 VAL A 47 7.702 5.145 5.528 1.00 10.13 H new ATOM 0 HG12 VAL A 47 5.976 5.438 5.848 1.00 10.13 H new ATOM 0 HG13 VAL A 47 6.989 4.654 7.083 1.00 10.13 H new ATOM 0 HG21 VAL A 47 8.518 2.929 5.099 1.00 1.12 H new ATOM 0 HG22 VAL A 47 7.850 2.304 6.625 1.00 1.12 H new ATOM 0 HG23 VAL A 47 7.428 1.523 5.083 1.00 1.12 H new ATOM 146 N THR A 48 3.482 3.628 4.578 1.00 61.02 N ATOM 147 CA THR A 48 2.402 4.488 4.139 1.00 22.40 C ATOM 148 C THR A 48 1.120 4.255 4.956 1.00 2.11 C ATOM 149 O THR A 48 0.424 5.213 5.302 1.00 74.43 O ATOM 150 CB THR A 48 2.136 4.344 2.603 1.00 64.22 C ATOM 151 OG1 THR A 48 1.183 5.311 2.138 1.00 23.12 O ATOM 152 CG2 THR A 48 1.644 2.962 2.234 1.00 21.41 C ATOM 0 H THR A 48 3.789 2.954 3.877 1.00 61.02 H new ATOM 0 HA THR A 48 2.719 5.515 4.319 1.00 22.40 H new ATOM 0 HB THR A 48 3.097 4.517 2.118 1.00 64.22 H new ATOM 0 HG1 THR A 48 1.571 5.823 1.398 1.00 23.12 H new ATOM 0 HG21 THR A 48 1.474 2.912 1.159 1.00 21.41 H new ATOM 0 HG22 THR A 48 2.392 2.222 2.518 1.00 21.41 H new ATOM 0 HG23 THR A 48 0.711 2.756 2.759 1.00 21.41 H new ATOM 160 N VAL A 49 0.840 3.002 5.294 1.00 61.11 N ATOM 161 CA VAL A 49 -0.340 2.675 6.066 1.00 4.10 C ATOM 162 C VAL A 49 -0.156 3.181 7.483 1.00 73.40 C ATOM 163 O VAL A 49 -1.084 3.743 8.081 1.00 50.14 O ATOM 164 CB VAL A 49 -0.632 1.149 6.066 1.00 73.50 C ATOM 165 CG1 VAL A 49 -1.832 0.824 6.938 1.00 53.51 C ATOM 166 CG2 VAL A 49 -0.879 0.654 4.652 1.00 45.43 C ATOM 0 H VAL A 49 1.418 2.200 5.043 1.00 61.11 H new ATOM 0 HA VAL A 49 -1.200 3.160 5.605 1.00 4.10 H new ATOM 0 HB VAL A 49 0.243 0.643 6.474 1.00 73.50 H new ATOM 0 HG11 VAL A 49 -2.014 -0.250 6.920 1.00 53.51 H new ATOM 0 HG12 VAL A 49 -1.634 1.142 7.962 1.00 53.51 H new ATOM 0 HG13 VAL A 49 -2.710 1.347 6.559 1.00 53.51 H new ATOM 0 HG21 VAL A 49 -1.082 -0.417 4.672 1.00 45.43 H new ATOM 0 HG22 VAL A 49 -1.735 1.178 4.228 1.00 45.43 H new ATOM 0 HG23 VAL A 49 0.003 0.845 4.040 1.00 45.43 H new ATOM 176 N ALA A 50 1.066 3.069 7.957 1.00 21.34 N ATOM 177 CA ALA A 50 1.454 3.497 9.279 1.00 34.22 C ATOM 178 C ALA A 50 1.179 4.969 9.478 1.00 30.31 C ATOM 179 O ALA A 50 0.668 5.380 10.513 1.00 2.15 O ATOM 180 CB ALA A 50 2.918 3.234 9.460 1.00 14.35 C ATOM 0 H ALA A 50 1.834 2.668 7.419 1.00 21.34 H new ATOM 0 HA ALA A 50 0.872 2.941 10.014 1.00 34.22 H new ATOM 0 HB1 ALA A 50 3.225 3.553 10.456 1.00 14.35 H new ATOM 0 HB2 ALA A 50 3.113 2.168 9.345 1.00 14.35 H new ATOM 0 HB3 ALA A 50 3.483 3.789 8.711 1.00 14.35 H new ATOM 186 N LYS A 51 1.459 5.761 8.450 1.00 41.14 N ATOM 187 CA LYS A 51 1.272 7.202 8.519 1.00 2.14 C ATOM 188 C LYS A 51 -0.212 7.562 8.664 1.00 61.32 C ATOM 189 O LYS A 51 -0.563 8.576 9.281 1.00 23.01 O ATOM 190 CB LYS A 51 1.877 7.876 7.276 1.00 53.20 C ATOM 191 CG LYS A 51 3.376 7.615 7.098 1.00 22.45 C ATOM 192 CD LYS A 51 4.215 8.225 8.225 1.00 3.53 C ATOM 193 CE LYS A 51 4.296 9.746 8.118 1.00 71.25 C ATOM 194 NZ LYS A 51 5.075 10.161 6.933 1.00 61.34 N ATOM 0 H LYS A 51 1.818 5.426 7.556 1.00 41.14 H new ATOM 0 HA LYS A 51 1.790 7.571 9.404 1.00 2.14 H new ATOM 0 HB2 LYS A 51 1.349 7.524 6.390 1.00 53.20 H new ATOM 0 HB3 LYS A 51 1.710 8.951 7.340 1.00 53.20 H new ATOM 0 HG2 LYS A 51 3.552 6.540 7.059 1.00 22.45 H new ATOM 0 HG3 LYS A 51 3.702 8.026 6.143 1.00 22.45 H new ATOM 0 HD2 LYS A 51 3.783 7.952 9.188 1.00 3.53 H new ATOM 0 HD3 LYS A 51 5.221 7.805 8.196 1.00 3.53 H new ATOM 0 HE2 LYS A 51 3.290 10.162 8.059 1.00 71.25 H new ATOM 0 HE3 LYS A 51 4.756 10.152 9.019 1.00 71.25 H new ATOM 0 HZ1 LYS A 51 5.344 11.161 7.027 1.00 61.34 H new ATOM 0 HZ2 LYS A 51 5.933 9.577 6.860 1.00 61.34 H new ATOM 0 HZ3 LYS A 51 4.498 10.037 6.077 1.00 61.34 H new ATOM 208 N GLY A 52 -1.067 6.685 8.196 1.00 64.53 N ATOM 209 CA GLY A 52 -2.484 6.919 8.293 1.00 73.30 C ATOM 210 C GLY A 52 -3.031 6.400 9.597 1.00 64.22 C ATOM 211 O GLY A 52 -4.005 6.930 10.142 1.00 30.22 O ATOM 0 H GLY A 52 -0.806 5.807 7.747 1.00 64.53 H new ATOM 0 HA2 GLY A 52 -2.686 7.987 8.210 1.00 73.30 H new ATOM 0 HA3 GLY A 52 -2.994 6.432 7.462 1.00 73.30 H new ATOM 215 N ASP A 53 -2.387 5.391 10.128 1.00 72.43 N ATOM 216 CA ASP A 53 -2.835 4.778 11.359 1.00 52.32 C ATOM 217 C ASP A 53 -2.368 5.550 12.559 1.00 3.13 C ATOM 218 O ASP A 53 -3.057 5.624 13.569 1.00 33.25 O ATOM 219 CB ASP A 53 -2.516 3.288 11.425 1.00 32.54 C ATOM 220 CG ASP A 53 -3.370 2.479 10.458 1.00 55.22 C ATOM 221 OD1 ASP A 53 -4.406 3.002 9.961 1.00 52.20 O ATOM 222 OD2 ASP A 53 -3.035 1.318 10.163 1.00 22.22 O ATOM 0 H ASP A 53 -1.547 4.973 9.727 1.00 72.43 H new ATOM 0 HA ASP A 53 -3.924 4.829 11.370 1.00 52.32 H new ATOM 0 HB2 ASP A 53 -1.462 3.132 11.195 1.00 32.54 H new ATOM 0 HB3 ASP A 53 -2.678 2.927 12.441 1.00 32.54 H new ATOM 227 N ILE A 54 -1.231 6.197 12.438 1.00 22.34 N ATOM 228 CA ILE A 54 -0.784 7.097 13.488 1.00 61.12 C ATOM 229 C ILE A 54 -1.626 8.372 13.475 1.00 20.51 C ATOM 230 O ILE A 54 -1.819 9.016 14.507 1.00 61.11 O ATOM 231 CB ILE A 54 0.724 7.434 13.403 1.00 54.31 C ATOM 232 CG1 ILE A 54 1.075 8.053 12.043 1.00 71.45 C ATOM 233 CG2 ILE A 54 1.550 6.193 13.687 1.00 12.12 C ATOM 234 CD1 ILE A 54 2.546 8.320 11.829 1.00 62.31 C ATOM 0 H ILE A 54 -0.604 6.122 11.637 1.00 22.34 H new ATOM 0 HA ILE A 54 -0.924 6.575 14.435 1.00 61.12 H new ATOM 0 HB ILE A 54 0.962 8.179 14.162 1.00 54.31 H new ATOM 0 HG12 ILE A 54 0.723 7.387 11.255 1.00 71.45 H new ATOM 0 HG13 ILE A 54 0.530 8.991 11.935 1.00 71.45 H new ATOM 0 HG21 ILE A 54 2.610 6.439 13.625 1.00 12.12 H new ATOM 0 HG22 ILE A 54 1.321 5.824 14.687 1.00 12.12 H new ATOM 0 HG23 ILE A 54 1.313 5.423 12.953 1.00 12.12 H new ATOM 0 HD11 ILE A 54 2.697 8.757 10.842 1.00 62.31 H new ATOM 0 HD12 ILE A 54 2.905 9.012 12.591 1.00 62.31 H new ATOM 0 HD13 ILE A 54 3.100 7.384 11.900 1.00 62.31 H new ATOM 246 N LYS A 55 -2.161 8.719 12.298 1.00 34.01 N ATOM 247 CA LYS A 55 -3.036 9.849 12.174 1.00 70.15 C ATOM 248 C LYS A 55 -4.392 9.515 12.808 1.00 25.43 C ATOM 249 O LYS A 55 -5.111 10.401 13.275 1.00 65.23 O ATOM 250 CB LYS A 55 -3.208 10.239 10.710 1.00 41.02 C ATOM 251 CG LYS A 55 -3.426 11.717 10.516 1.00 71.33 C ATOM 252 CD LYS A 55 -2.174 12.463 10.936 1.00 42.24 C ATOM 253 CE LYS A 55 -2.367 13.972 10.913 1.00 54.34 C ATOM 254 NZ LYS A 55 -1.164 14.692 11.378 1.00 53.42 N ATOM 0 H LYS A 55 -1.991 8.219 11.425 1.00 34.01 H new ATOM 0 HA LYS A 55 -2.597 10.699 12.696 1.00 70.15 H new ATOM 0 HB2 LYS A 55 -2.324 9.931 10.152 1.00 41.02 H new ATOM 0 HB3 LYS A 55 -4.055 9.695 10.292 1.00 41.02 H new ATOM 0 HG2 LYS A 55 -3.658 11.929 9.472 1.00 71.33 H new ATOM 0 HG3 LYS A 55 -4.279 12.052 11.106 1.00 71.33 H new ATOM 0 HD2 LYS A 55 -1.887 12.151 11.940 1.00 42.24 H new ATOM 0 HD3 LYS A 55 -1.353 12.194 10.272 1.00 42.24 H new ATOM 0 HE2 LYS A 55 -2.611 14.291 9.900 1.00 54.34 H new ATOM 0 HE3 LYS A 55 -3.215 14.238 11.544 1.00 54.34 H new ATOM 0 HZ1 LYS A 55 -1.445 15.456 12.025 1.00 53.42 H new ATOM 0 HZ2 LYS A 55 -0.535 14.031 11.876 1.00 53.42 H new ATOM 0 HZ3 LYS A 55 -0.664 15.097 10.561 1.00 53.42 H new ATOM 268 N ALA A 56 -4.717 8.231 12.824 1.00 40.54 N ATOM 269 CA ALA A 56 -5.916 7.732 13.482 1.00 71.02 C ATOM 270 C ALA A 56 -5.780 7.928 14.980 1.00 2.15 C ATOM 271 O ALA A 56 -6.700 8.397 15.653 1.00 61.22 O ATOM 272 CB ALA A 56 -6.096 6.256 13.181 1.00 25.02 C ATOM 0 H ALA A 56 -4.156 7.504 12.380 1.00 40.54 H new ATOM 0 HA ALA A 56 -6.784 8.279 13.114 1.00 71.02 H new ATOM 0 HB1 ALA A 56 -6.995 5.891 13.677 1.00 25.02 H new ATOM 0 HB2 ALA A 56 -6.192 6.113 12.105 1.00 25.02 H new ATOM 0 HB3 ALA A 56 -5.230 5.702 13.545 1.00 25.02 H new ATOM 278 N ILE A 57 -4.604 7.593 15.486 1.00 20.52 N ATOM 279 CA ILE A 57 -4.286 7.736 16.900 1.00 70.04 C ATOM 280 C ILE A 57 -4.326 9.195 17.299 1.00 35.43 C ATOM 281 O ILE A 57 -4.744 9.525 18.371 1.00 30.34 O ATOM 282 CB ILE A 57 -2.901 7.147 17.224 1.00 51.01 C ATOM 283 CG1 ILE A 57 -2.877 5.694 16.805 1.00 30.13 C ATOM 284 CG2 ILE A 57 -2.604 7.266 18.722 1.00 72.14 C ATOM 285 CD1 ILE A 57 -1.533 5.047 16.878 1.00 4.25 C ATOM 0 H ILE A 57 -3.840 7.213 14.927 1.00 20.52 H new ATOM 0 HA ILE A 57 -5.035 7.183 17.468 1.00 70.04 H new ATOM 0 HB ILE A 57 -2.136 7.702 16.680 1.00 51.01 H new ATOM 0 HG12 ILE A 57 -3.569 5.136 17.436 1.00 30.13 H new ATOM 0 HG13 ILE A 57 -3.247 5.618 15.782 1.00 30.13 H new ATOM 0 HG21 ILE A 57 -1.621 6.845 18.933 1.00 72.14 H new ATOM 0 HG22 ILE A 57 -2.619 8.316 19.014 1.00 72.14 H new ATOM 0 HG23 ILE A 57 -3.361 6.722 19.287 1.00 72.14 H new ATOM 0 HD11 ILE A 57 -1.612 4.008 16.560 1.00 4.25 H new ATOM 0 HD12 ILE A 57 -0.839 5.575 16.224 1.00 4.25 H new ATOM 0 HD13 ILE A 57 -1.166 5.085 17.904 1.00 4.25 H new ATOM 297 N ALA A 58 -3.929 10.067 16.398 1.00 73.33 N ATOM 298 CA ALA A 58 -3.966 11.500 16.656 1.00 52.21 C ATOM 299 C ALA A 58 -5.391 11.973 16.932 1.00 14.32 C ATOM 300 O ALA A 58 -5.619 12.841 17.786 1.00 52.44 O ATOM 301 CB ALA A 58 -3.386 12.261 15.496 1.00 55.21 C ATOM 0 H ALA A 58 -3.575 9.813 15.476 1.00 73.33 H new ATOM 0 HA ALA A 58 -3.363 11.694 17.543 1.00 52.21 H new ATOM 0 HB1 ALA A 58 -3.422 13.330 15.707 1.00 55.21 H new ATOM 0 HB2 ALA A 58 -2.351 11.957 15.342 1.00 55.21 H new ATOM 0 HB3 ALA A 58 -3.964 12.049 14.596 1.00 55.21 H new ATOM 307 N ALA A 59 -6.346 11.349 16.261 1.00 41.24 N ATOM 308 CA ALA A 59 -7.737 11.706 16.403 1.00 12.34 C ATOM 309 C ALA A 59 -8.312 11.069 17.652 1.00 3.21 C ATOM 310 O ALA A 59 -9.246 11.585 18.251 1.00 32.22 O ATOM 311 CB ALA A 59 -8.525 11.282 15.176 1.00 72.24 C ATOM 0 H ALA A 59 -6.174 10.585 15.607 1.00 41.24 H new ATOM 0 HA ALA A 59 -7.812 12.789 16.497 1.00 12.34 H new ATOM 0 HB1 ALA A 59 -9.572 11.560 15.302 1.00 72.24 H new ATOM 0 HB2 ALA A 59 -8.121 11.780 14.294 1.00 72.24 H new ATOM 0 HB3 ALA A 59 -8.449 10.202 15.050 1.00 72.24 H new ATOM 317 N ALA A 60 -7.740 9.957 18.057 1.00 1.02 N ATOM 318 CA ALA A 60 -8.192 9.278 19.247 1.00 23.22 C ATOM 319 C ALA A 60 -7.526 9.867 20.493 1.00 64.22 C ATOM 320 O ALA A 60 -8.118 9.923 21.547 1.00 1.13 O ATOM 321 CB ALA A 60 -7.931 7.794 19.135 1.00 74.14 C ATOM 0 H ALA A 60 -6.961 9.505 17.579 1.00 1.02 H new ATOM 0 HA ALA A 60 -9.267 9.426 19.346 1.00 23.22 H new ATOM 0 HB1 ALA A 60 -8.277 7.294 20.040 1.00 74.14 H new ATOM 0 HB2 ALA A 60 -8.465 7.395 18.273 1.00 74.14 H new ATOM 0 HB3 ALA A 60 -6.862 7.621 19.011 1.00 74.14 H new ATOM 327 N LEU A 61 -6.329 10.384 20.344 1.00 72.31 N ATOM 328 CA LEU A 61 -5.620 11.024 21.438 1.00 64.53 C ATOM 329 C LEU A 61 -6.307 12.356 21.702 1.00 71.33 C ATOM 330 O LEU A 61 -6.337 12.861 22.815 1.00 75.42 O ATOM 331 CB LEU A 61 -4.141 11.204 21.051 1.00 62.31 C ATOM 332 CG LEU A 61 -3.091 11.075 22.173 1.00 12.41 C ATOM 333 CD1 LEU A 61 -3.212 12.163 23.200 1.00 14.24 C ATOM 334 CD2 LEU A 61 -3.208 9.744 22.856 1.00 74.43 C ATOM 0 H LEU A 61 -5.815 10.375 19.463 1.00 72.31 H new ATOM 0 HA LEU A 61 -5.643 10.422 22.346 1.00 64.53 H new ATOM 0 HB2 LEU A 61 -3.903 10.470 20.281 1.00 62.31 H new ATOM 0 HB3 LEU A 61 -4.029 12.189 20.597 1.00 62.31 H new ATOM 0 HG LEU A 61 -2.116 11.166 21.695 1.00 12.41 H new ATOM 0 HD11 LEU A 61 -2.450 12.026 23.967 1.00 14.24 H new ATOM 0 HD12 LEU A 61 -3.074 13.132 22.721 1.00 14.24 H new ATOM 0 HD13 LEU A 61 -4.200 12.122 23.659 1.00 14.24 H new ATOM 0 HD21 LEU A 61 -2.459 9.672 23.644 1.00 74.43 H new ATOM 0 HD22 LEU A 61 -4.203 9.644 23.291 1.00 74.43 H new ATOM 0 HD23 LEU A 61 -3.048 8.947 22.130 1.00 74.43 H new ATOM 346 N ASP A 62 -6.908 12.879 20.656 1.00 53.12 N ATOM 347 CA ASP A 62 -7.759 14.059 20.733 1.00 41.51 C ATOM 348 C ASP A 62 -9.014 13.710 21.553 1.00 32.03 C ATOM 349 O ASP A 62 -9.557 14.521 22.311 1.00 30.11 O ATOM 350 CB ASP A 62 -8.151 14.479 19.315 1.00 21.32 C ATOM 351 CG ASP A 62 -9.146 15.605 19.261 1.00 35.13 C ATOM 352 OD1 ASP A 62 -8.736 16.763 19.225 1.00 73.52 O ATOM 353 OD2 ASP A 62 -10.361 15.336 19.216 1.00 21.22 O ATOM 0 H ASP A 62 -6.822 12.497 19.714 1.00 53.12 H new ATOM 0 HA ASP A 62 -7.232 14.882 21.216 1.00 41.51 H new ATOM 0 HB2 ASP A 62 -7.252 14.776 18.774 1.00 21.32 H new ATOM 0 HB3 ASP A 62 -8.566 13.616 18.794 1.00 21.32 H new ATOM 358 N MET A 63 -9.424 12.468 21.445 1.00 50.24 N ATOM 359 CA MET A 63 -10.558 11.978 22.183 1.00 53.43 C ATOM 360 C MET A 63 -10.161 11.746 23.625 1.00 54.42 C ATOM 361 O MET A 63 -10.967 11.888 24.502 1.00 65.41 O ATOM 362 CB MET A 63 -11.129 10.703 21.571 1.00 42.43 C ATOM 363 CG MET A 63 -11.697 10.880 20.182 1.00 34.12 C ATOM 364 SD MET A 63 -12.352 9.341 19.517 1.00 73.14 S ATOM 365 CE MET A 63 -12.944 9.904 17.919 1.00 1.40 C ATOM 0 H MET A 63 -8.981 11.773 20.844 1.00 50.24 H new ATOM 0 HA MET A 63 -11.344 12.732 22.138 1.00 53.43 H new ATOM 0 HB2 MET A 63 -10.344 9.948 21.536 1.00 42.43 H new ATOM 0 HB3 MET A 63 -11.912 10.319 22.225 1.00 42.43 H new ATOM 0 HG2 MET A 63 -12.488 11.629 20.207 1.00 34.12 H new ATOM 0 HG3 MET A 63 -10.920 11.259 19.519 1.00 34.12 H new ATOM 0 HE1 MET A 63 -13.382 9.066 17.377 1.00 1.40 H new ATOM 0 HE2 MET A 63 -13.699 10.677 18.062 1.00 1.40 H new ATOM 0 HE3 MET A 63 -12.111 10.311 17.345 1.00 1.40 H new ATOM 375 N TYR A 64 -8.896 11.389 23.853 1.00 60.23 N ATOM 376 CA TYR A 64 -8.371 11.275 25.204 1.00 4.23 C ATOM 377 C TYR A 64 -8.254 12.657 25.821 1.00 64.21 C ATOM 378 O TYR A 64 -8.530 12.830 27.004 1.00 72.33 O ATOM 379 CB TYR A 64 -6.998 10.613 25.227 1.00 73.33 C ATOM 380 CG TYR A 64 -6.430 10.527 26.630 1.00 62.32 C ATOM 381 CD1 TYR A 64 -6.843 9.542 27.512 1.00 41.42 C ATOM 382 CD2 TYR A 64 -5.496 11.444 27.085 1.00 54.42 C ATOM 383 CE1 TYR A 64 -6.356 9.467 28.753 1.00 34.30 C ATOM 384 CE2 TYR A 64 -5.002 11.366 28.352 1.00 35.23 C ATOM 385 CZ TYR A 64 -5.432 10.373 29.180 1.00 63.11 C ATOM 386 OH TYR A 64 -4.953 10.289 30.444 1.00 52.14 O ATOM 0 H TYR A 64 -8.222 11.175 23.118 1.00 60.23 H new ATOM 0 HA TYR A 64 -9.062 10.653 25.773 1.00 4.23 H new ATOM 0 HB2 TYR A 64 -7.072 9.611 24.804 1.00 73.33 H new ATOM 0 HB3 TYR A 64 -6.314 11.177 24.593 1.00 73.33 H new ATOM 0 HD1 TYR A 64 -7.576 8.818 27.188 1.00 41.42 H new ATOM 0 HD2 TYR A 64 -5.156 12.230 26.427 1.00 54.42 H new ATOM 0 HE1 TYR A 64 -6.695 8.687 29.419 1.00 34.30 H new ATOM 0 HE2 TYR A 64 -4.275 12.086 28.698 1.00 35.23 H new ATOM 0 HH TYR A 64 -4.302 11.005 30.595 1.00 52.14 H new ATOM 396 N LYS A 65 -7.853 13.675 25.014 1.00 45.01 N ATOM 397 CA LYS A 65 -7.762 15.010 25.566 1.00 63.40 C ATOM 398 C LYS A 65 -9.152 15.502 25.932 1.00 43.13 C ATOM 399 O LYS A 65 -9.312 16.450 26.675 1.00 73.01 O ATOM 400 CB LYS A 65 -7.045 16.043 24.674 1.00 15.24 C ATOM 401 CG LYS A 65 -7.845 16.653 23.549 1.00 75.22 C ATOM 402 CD LYS A 65 -7.004 17.701 22.833 1.00 45.03 C ATOM 403 CE LYS A 65 -7.676 18.281 21.601 1.00 33.50 C ATOM 404 NZ LYS A 65 -8.903 19.019 21.915 1.00 43.01 N ATOM 0 H LYS A 65 -7.603 13.585 24.029 1.00 45.01 H new ATOM 0 HA LYS A 65 -7.131 14.922 26.451 1.00 63.40 H new ATOM 0 HB2 LYS A 65 -6.688 16.851 25.312 1.00 15.24 H new ATOM 0 HB3 LYS A 65 -6.165 15.565 24.243 1.00 15.24 H new ATOM 0 HG2 LYS A 65 -8.153 15.878 22.847 1.00 75.22 H new ATOM 0 HG3 LYS A 65 -8.754 17.108 23.941 1.00 75.22 H new ATOM 0 HD2 LYS A 65 -6.777 18.510 23.528 1.00 45.03 H new ATOM 0 HD3 LYS A 65 -6.053 17.255 22.542 1.00 45.03 H new ATOM 0 HE2 LYS A 65 -6.978 18.946 21.092 1.00 33.50 H new ATOM 0 HE3 LYS A 65 -7.911 17.474 20.907 1.00 33.50 H new ATOM 0 HZ1 LYS A 65 -9.318 19.392 21.037 1.00 43.01 H new ATOM 0 HZ2 LYS A 65 -9.583 18.382 22.376 1.00 43.01 H new ATOM 0 HZ3 LYS A 65 -8.679 19.808 22.555 1.00 43.01 H new ATOM 418 N LEU A 66 -10.153 14.866 25.350 1.00 24.33 N ATOM 419 CA LEU A 66 -11.521 15.118 25.701 1.00 0.41 C ATOM 420 C LEU A 66 -11.939 14.246 26.902 1.00 42.51 C ATOM 421 O LEU A 66 -12.595 14.737 27.813 1.00 74.05 O ATOM 422 CB LEU A 66 -12.419 14.795 24.496 1.00 23.52 C ATOM 423 CG LEU A 66 -13.932 14.890 24.703 1.00 62.25 C ATOM 424 CD1 LEU A 66 -14.356 16.311 25.024 1.00 11.10 C ATOM 425 CD2 LEU A 66 -14.665 14.370 23.480 1.00 13.12 C ATOM 0 H LEU A 66 -10.030 14.162 24.622 1.00 24.33 H new ATOM 0 HA LEU A 66 -11.629 16.167 25.976 1.00 0.41 H new ATOM 0 HB2 LEU A 66 -12.147 15.468 23.683 1.00 23.52 H new ATOM 0 HB3 LEU A 66 -12.187 13.783 24.164 1.00 23.52 H new ATOM 0 HG LEU A 66 -14.197 14.267 25.557 1.00 62.25 H new ATOM 0 HD11 LEU A 66 -15.436 16.345 25.165 1.00 11.10 H new ATOM 0 HD12 LEU A 66 -13.860 16.641 25.937 1.00 11.10 H new ATOM 0 HD13 LEU A 66 -14.077 16.969 24.201 1.00 11.10 H new ATOM 0 HD21 LEU A 66 -15.740 14.444 23.642 1.00 13.12 H new ATOM 0 HD22 LEU A 66 -14.387 14.964 22.609 1.00 13.12 H new ATOM 0 HD23 LEU A 66 -14.394 13.328 23.309 1.00 13.12 H new ATOM 437 N ASP A 67 -11.462 12.993 26.944 1.00 11.03 N ATOM 438 CA ASP A 67 -11.882 12.030 27.982 1.00 50.14 C ATOM 439 C ASP A 67 -11.277 12.348 29.333 1.00 31.34 C ATOM 440 O ASP A 67 -11.919 12.169 30.367 1.00 71.11 O ATOM 441 CB ASP A 67 -11.369 10.647 27.559 1.00 60.33 C ATOM 442 CG ASP A 67 -11.679 9.531 28.543 1.00 45.43 C ATOM 443 OD1 ASP A 67 -12.756 8.906 28.417 1.00 50.43 O ATOM 444 OD2 ASP A 67 -10.846 9.248 29.436 1.00 1.11 O ATOM 0 H ASP A 67 -10.788 12.621 26.276 1.00 11.03 H new ATOM 0 HA ASP A 67 -12.967 12.072 28.074 1.00 50.14 H new ATOM 0 HB2 ASP A 67 -11.803 10.393 26.592 1.00 60.33 H new ATOM 0 HB3 ASP A 67 -10.289 10.701 27.419 1.00 60.33 H new ATOM 449 N ASN A 68 -10.140 12.989 29.326 1.00 23.23 N ATOM 450 CA ASN A 68 -9.514 13.368 30.564 1.00 41.34 C ATOM 451 C ASN A 68 -9.202 14.788 30.497 1.00 61.13 C ATOM 452 O ASN A 68 -8.280 15.247 31.173 1.00 21.32 O ATOM 453 CB ASN A 68 -8.234 12.651 30.790 1.00 15.45 C ATOM 454 CG ASN A 68 -7.968 12.337 32.262 1.00 3.32 C ATOM 455 OD1 ASN A 68 -8.307 11.276 32.761 1.00 12.10 O ATOM 456 ND2 ASN A 68 -7.381 13.265 32.967 1.00 43.02 N ATOM 0 H ASN A 68 -9.631 13.258 28.484 1.00 23.23 H new ATOM 0 HA ASN A 68 -10.202 13.122 31.373 1.00 41.34 H new ATOM 0 HB2 ASN A 68 -8.242 11.720 30.223 1.00 15.45 H new ATOM 0 HB3 ASN A 68 -7.414 13.254 30.401 1.00 15.45 H new ATOM 0 HD21 ASN A 68 -7.196 13.112 33.958 1.00 43.02 H new ATOM 0 HD22 ASN A 68 -7.107 14.143 32.527 1.00 43.02 H new ATOM 463 N PHE A 69 -9.957 15.508 29.648 1.00 4.22 N ATOM 464 CA PHE A 69 -9.923 16.982 29.529 1.00 25.51 C ATOM 465 C PHE A 69 -8.510 17.566 29.518 1.00 54.12 C ATOM 466 O PHE A 69 -8.310 18.739 29.874 1.00 54.24 O ATOM 467 CB PHE A 69 -10.779 17.605 30.657 1.00 32.02 C ATOM 468 CG PHE A 69 -10.554 16.995 32.024 1.00 24.22 C ATOM 469 CD1 PHE A 69 -9.503 17.367 32.795 1.00 52.20 C ATOM 470 CD2 PHE A 69 -11.414 16.054 32.508 1.00 55.24 C ATOM 471 CE1 PHE A 69 -9.300 16.829 34.036 1.00 11.04 C ATOM 472 CE2 PHE A 69 -11.237 15.487 33.737 1.00 64.11 C ATOM 473 CZ PHE A 69 -10.176 15.880 34.520 1.00 15.44 C ATOM 0 H PHE A 69 -10.624 15.074 29.010 1.00 4.22 H new ATOM 0 HA PHE A 69 -10.344 17.239 28.557 1.00 25.51 H new ATOM 0 HB2 PHE A 69 -10.566 18.673 30.710 1.00 32.02 H new ATOM 0 HB3 PHE A 69 -11.832 17.502 30.396 1.00 32.02 H new ATOM 0 HD1 PHE A 69 -8.810 18.106 32.421 1.00 52.20 H new ATOM 0 HD2 PHE A 69 -12.256 15.750 31.904 1.00 55.24 H new ATOM 0 HE1 PHE A 69 -8.458 17.146 34.634 1.00 11.04 H new ATOM 0 HE2 PHE A 69 -11.925 14.735 34.093 1.00 64.11 H new ATOM 0 HZ PHE A 69 -10.031 15.451 35.501 1.00 15.44 H new ATOM 483 N ALA A 70 -7.575 16.811 28.954 1.00 32.04 N ATOM 484 CA ALA A 70 -6.188 17.156 28.972 1.00 4.41 C ATOM 485 C ALA A 70 -5.414 16.074 28.286 1.00 54.13 C ATOM 486 O ALA A 70 -5.896 14.939 28.172 1.00 54.52 O ATOM 487 CB ALA A 70 -5.729 17.243 30.416 1.00 24.03 C ATOM 0 H ALA A 70 -7.777 15.936 28.470 1.00 32.04 H new ATOM 0 HA ALA A 70 -6.030 18.109 28.467 1.00 4.41 H new ATOM 0 HB1 ALA A 70 -4.672 17.506 30.446 1.00 24.03 H new ATOM 0 HB2 ALA A 70 -6.308 18.006 30.936 1.00 24.03 H new ATOM 0 HB3 ALA A 70 -5.878 16.280 30.904 1.00 24.03 H new ATOM 493 N TYR A 71 -4.266 16.419 27.790 1.00 74.02 N ATOM 494 CA TYR A 71 -3.355 15.459 27.266 1.00 41.33 C ATOM 495 C TYR A 71 -2.628 14.726 28.391 1.00 23.04 C ATOM 496 O TYR A 71 -2.545 15.235 29.518 1.00 12.14 O ATOM 497 CB TYR A 71 -2.379 16.112 26.309 1.00 12.11 C ATOM 498 CG TYR A 71 -2.941 16.332 24.950 1.00 10.04 C ATOM 499 CD1 TYR A 71 -3.619 15.322 24.304 1.00 53.23 C ATOM 500 CD2 TYR A 71 -2.756 17.517 24.294 1.00 71.31 C ATOM 501 CE1 TYR A 71 -4.084 15.468 23.045 1.00 62.05 C ATOM 502 CE2 TYR A 71 -3.227 17.699 23.022 1.00 54.13 C ATOM 503 CZ TYR A 71 -3.887 16.670 22.385 1.00 42.35 C ATOM 504 OH TYR A 71 -4.335 16.842 21.088 1.00 22.45 O ATOM 0 H TYR A 71 -3.936 17.383 27.739 1.00 74.02 H new ATOM 0 HA TYR A 71 -3.924 14.718 26.705 1.00 41.33 H new ATOM 0 HB2 TYR A 71 -2.062 17.070 26.722 1.00 12.11 H new ATOM 0 HB3 TYR A 71 -1.488 15.489 26.229 1.00 12.11 H new ATOM 0 HD1 TYR A 71 -3.783 14.387 24.819 1.00 53.23 H new ATOM 0 HD2 TYR A 71 -2.230 18.321 24.787 1.00 71.31 H new ATOM 0 HE1 TYR A 71 -4.604 14.657 22.558 1.00 62.05 H new ATOM 0 HE2 TYR A 71 -3.082 18.644 22.520 1.00 54.13 H new ATOM 0 HH TYR A 71 -3.691 17.386 20.589 1.00 22.45 H new ATOM 514 N PRO A 72 -2.104 13.525 28.113 1.00 62.24 N ATOM 515 CA PRO A 72 -1.430 12.703 29.119 1.00 22.13 C ATOM 516 C PRO A 72 -0.067 13.268 29.550 1.00 60.53 C ATOM 517 O PRO A 72 0.489 14.140 28.882 1.00 63.34 O ATOM 518 CB PRO A 72 -1.217 11.379 28.367 1.00 13.23 C ATOM 519 CG PRO A 72 -1.144 11.755 26.942 1.00 24.44 C ATOM 520 CD PRO A 72 -2.123 12.858 26.784 1.00 33.32 C ATOM 0 HA PRO A 72 -2.010 12.633 30.039 1.00 22.13 H new ATOM 0 HB2 PRO A 72 -0.302 10.884 28.692 1.00 13.23 H new ATOM 0 HB3 PRO A 72 -2.037 10.685 28.550 1.00 13.23 H new ATOM 0 HG2 PRO A 72 -0.139 12.078 26.670 1.00 24.44 H new ATOM 0 HG3 PRO A 72 -1.393 10.911 26.298 1.00 24.44 H new ATOM 0 HD2 PRO A 72 -1.833 13.542 25.986 1.00 33.32 H new ATOM 0 HD3 PRO A 72 -3.116 12.482 26.537 1.00 33.32 H new ATOM 528 N SER A 73 0.448 12.796 30.675 1.00 50.22 N ATOM 529 CA SER A 73 1.793 13.106 31.073 1.00 33.13 C ATOM 530 C SER A 73 2.590 11.854 30.806 1.00 61.21 C ATOM 531 O SER A 73 2.009 10.776 30.768 1.00 51.44 O ATOM 532 CB SER A 73 1.821 13.496 32.543 1.00 15.23 C ATOM 533 OG SER A 73 1.252 12.481 33.343 1.00 61.03 O ATOM 0 H SER A 73 -0.057 12.194 31.325 1.00 50.22 H new ATOM 0 HA SER A 73 2.210 13.951 30.525 1.00 33.13 H new ATOM 0 HB2 SER A 73 2.849 13.678 32.856 1.00 15.23 H new ATOM 0 HB3 SER A 73 1.274 14.428 32.687 1.00 15.23 H new ATOM 0 HG SER A 73 1.517 12.613 34.277 1.00 61.03 H new ATOM 539 N THR A 74 3.876 11.950 30.598 1.00 11.14 N ATOM 540 CA THR A 74 4.643 10.778 30.209 1.00 5.41 C ATOM 541 C THR A 74 4.711 9.731 31.362 1.00 2.15 C ATOM 542 O THR A 74 5.113 8.580 31.179 1.00 24.43 O ATOM 543 CB THR A 74 6.037 11.177 29.642 1.00 63.14 C ATOM 544 OG1 THR A 74 6.353 10.348 28.500 1.00 21.11 O ATOM 545 CG2 THR A 74 7.127 11.057 30.706 1.00 60.24 C ATOM 0 H THR A 74 4.416 12.811 30.687 1.00 11.14 H new ATOM 0 HA THR A 74 4.120 10.281 29.392 1.00 5.41 H new ATOM 0 HB THR A 74 5.995 12.221 29.331 1.00 63.14 H new ATOM 0 HG1 THR A 74 7.230 10.602 28.144 1.00 21.11 H new ATOM 0 HG21 THR A 74 8.087 11.343 30.277 1.00 60.24 H new ATOM 0 HG22 THR A 74 6.893 11.715 31.543 1.00 60.24 H new ATOM 0 HG23 THR A 74 7.179 10.027 31.059 1.00 60.24 H new ATOM 553 N GLN A 75 4.305 10.142 32.539 1.00 44.24 N ATOM 554 CA GLN A 75 4.179 9.230 33.624 1.00 12.35 C ATOM 555 C GLN A 75 2.705 8.860 33.843 1.00 32.22 C ATOM 556 O GLN A 75 2.275 7.754 33.482 1.00 64.54 O ATOM 557 CB GLN A 75 4.777 9.825 34.889 1.00 62.31 C ATOM 558 CG GLN A 75 6.279 10.005 34.847 1.00 64.21 C ATOM 559 CD GLN A 75 6.824 10.553 36.145 1.00 15.14 C ATOM 560 OE1 GLN A 75 7.169 9.799 37.051 1.00 33.25 O ATOM 561 NE2 GLN A 75 6.902 11.850 36.257 1.00 20.41 N ATOM 0 H GLN A 75 4.058 11.107 32.759 1.00 44.24 H new ATOM 0 HA GLN A 75 4.728 8.321 33.380 1.00 12.35 H new ATOM 0 HB2 GLN A 75 4.313 10.793 35.075 1.00 62.31 H new ATOM 0 HB3 GLN A 75 4.524 9.183 35.733 1.00 62.31 H new ATOM 0 HG2 GLN A 75 6.752 9.047 34.632 1.00 64.21 H new ATOM 0 HG3 GLN A 75 6.540 10.680 34.032 1.00 64.21 H new ATOM 0 HE21 GLN A 75 6.607 12.447 35.485 1.00 20.41 H new ATOM 0 HE22 GLN A 75 7.258 12.267 37.117 1.00 20.41 H new ATOM 570 N GLN A 76 1.896 9.850 34.243 1.00 61.40 N ATOM 571 CA GLN A 76 0.520 9.588 34.673 1.00 72.33 C ATOM 572 C GLN A 76 -0.374 9.368 33.500 1.00 64.14 C ATOM 573 O GLN A 76 -1.286 8.560 33.567 1.00 14.04 O ATOM 574 CB GLN A 76 -0.015 10.738 35.516 1.00 50.01 C ATOM 575 CG GLN A 76 0.805 11.037 36.773 1.00 22.22 C ATOM 576 CD GLN A 76 0.471 12.387 37.387 1.00 11.13 C ATOM 577 OE1 GLN A 76 0.100 13.330 36.679 1.00 25.02 O ATOM 578 NE2 GLN A 76 0.615 12.509 38.675 1.00 54.22 N ATOM 0 H GLN A 76 2.170 10.832 34.277 1.00 61.40 H new ATOM 0 HA GLN A 76 0.534 8.682 35.279 1.00 72.33 H new ATOM 0 HB2 GLN A 76 -0.053 11.636 34.900 1.00 50.01 H new ATOM 0 HB3 GLN A 76 -1.039 10.510 35.811 1.00 50.01 H new ATOM 0 HG2 GLN A 76 0.629 10.254 37.511 1.00 22.22 H new ATOM 0 HG3 GLN A 76 1.866 11.008 36.524 1.00 22.22 H new ATOM 0 HE21 GLN A 76 0.923 11.712 39.232 1.00 54.22 H new ATOM 0 HE22 GLN A 76 0.420 13.402 39.128 1.00 54.22 H new ATOM 587 N GLY A 77 -0.112 10.067 32.413 1.00 20.40 N ATOM 588 CA GLY A 77 -0.939 9.891 31.276 1.00 55.33 C ATOM 589 C GLY A 77 -0.522 8.717 30.432 1.00 54.10 C ATOM 590 O GLY A 77 -1.321 8.201 29.688 1.00 75.15 O ATOM 0 H GLY A 77 0.648 10.739 32.310 1.00 20.40 H new ATOM 0 HA2 GLY A 77 -1.971 9.753 31.600 1.00 55.33 H new ATOM 0 HA3 GLY A 77 -0.914 10.796 30.670 1.00 55.33 H new ATOM 594 N LEU A 78 0.718 8.278 30.560 1.00 32.10 N ATOM 595 CA LEU A 78 1.168 7.123 29.802 1.00 21.43 C ATOM 596 C LEU A 78 0.528 5.907 30.445 1.00 32.53 C ATOM 597 O LEU A 78 -0.022 5.026 29.767 1.00 71.45 O ATOM 598 CB LEU A 78 2.713 7.050 29.783 1.00 5.14 C ATOM 599 CG LEU A 78 3.387 6.140 28.718 1.00 32.23 C ATOM 600 CD1 LEU A 78 4.879 6.389 28.691 1.00 12.35 C ATOM 601 CD2 LEU A 78 3.133 4.664 28.977 1.00 61.13 C ATOM 0 H LEU A 78 1.421 8.695 31.170 1.00 32.10 H new ATOM 0 HA LEU A 78 0.868 7.183 28.756 1.00 21.43 H new ATOM 0 HB2 LEU A 78 3.094 8.062 29.646 1.00 5.14 H new ATOM 0 HB3 LEU A 78 3.044 6.715 30.766 1.00 5.14 H new ATOM 0 HG LEU A 78 2.944 6.394 27.755 1.00 32.23 H new ATOM 0 HD11 LEU A 78 5.342 5.747 27.942 1.00 12.35 H new ATOM 0 HD12 LEU A 78 5.069 7.433 28.441 1.00 12.35 H new ATOM 0 HD13 LEU A 78 5.303 6.167 29.670 1.00 12.35 H new ATOM 0 HD21 LEU A 78 3.624 4.070 28.206 1.00 61.13 H new ATOM 0 HD22 LEU A 78 3.532 4.392 29.954 1.00 61.13 H new ATOM 0 HD23 LEU A 78 2.061 4.470 28.956 1.00 61.13 H new ATOM 613 N GLU A 79 0.533 5.895 31.766 1.00 10.34 N ATOM 614 CA GLU A 79 -0.167 4.871 32.494 1.00 73.25 C ATOM 615 C GLU A 79 -1.655 4.999 32.301 1.00 54.23 C ATOM 616 O GLU A 79 -2.350 4.032 32.344 1.00 14.12 O ATOM 617 CB GLU A 79 0.195 4.858 33.962 1.00 13.11 C ATOM 618 CG GLU A 79 1.586 4.358 34.213 1.00 54.23 C ATOM 619 CD GLU A 79 1.910 4.258 35.672 1.00 12.21 C ATOM 620 OE1 GLU A 79 2.282 5.266 36.293 1.00 73.25 O ATOM 621 OE2 GLU A 79 1.803 3.152 36.234 1.00 63.22 O ATOM 0 H GLU A 79 1.013 6.582 32.347 1.00 10.34 H new ATOM 0 HA GLU A 79 0.152 3.912 32.085 1.00 73.25 H new ATOM 0 HB2 GLU A 79 0.098 5.866 34.364 1.00 13.11 H new ATOM 0 HB3 GLU A 79 -0.515 4.230 34.501 1.00 13.11 H new ATOM 0 HG2 GLU A 79 1.704 3.378 33.751 1.00 54.23 H new ATOM 0 HG3 GLU A 79 2.300 5.026 33.731 1.00 54.23 H new ATOM 628 N ALA A 80 -2.120 6.203 32.040 1.00 53.31 N ATOM 629 CA ALA A 80 -3.532 6.455 31.776 1.00 75.13 C ATOM 630 C ALA A 80 -3.882 6.210 30.299 1.00 65.54 C ATOM 631 O ALA A 80 -5.030 6.350 29.888 1.00 61.55 O ATOM 632 CB ALA A 80 -3.896 7.867 32.176 1.00 22.51 C ATOM 0 H ALA A 80 -1.535 7.038 32.004 1.00 53.31 H new ATOM 0 HA ALA A 80 -4.114 5.755 32.375 1.00 75.13 H new ATOM 0 HB1 ALA A 80 -4.953 8.042 31.974 1.00 22.51 H new ATOM 0 HB2 ALA A 80 -3.703 8.005 33.240 1.00 22.51 H new ATOM 0 HB3 ALA A 80 -3.295 8.574 31.603 1.00 22.51 H new ATOM 638 N LEU A 81 -2.878 5.906 29.511 1.00 4.20 N ATOM 639 CA LEU A 81 -3.060 5.582 28.102 1.00 53.54 C ATOM 640 C LEU A 81 -3.133 4.072 27.939 1.00 0.51 C ATOM 641 O LEU A 81 -3.691 3.553 26.965 1.00 33.41 O ATOM 642 CB LEU A 81 -1.881 6.136 27.285 1.00 75.52 C ATOM 643 CG LEU A 81 -2.204 7.138 26.165 1.00 34.12 C ATOM 644 CD1 LEU A 81 -2.946 8.351 26.702 1.00 14.04 C ATOM 645 CD2 LEU A 81 -0.913 7.568 25.465 1.00 11.34 C ATOM 0 H LEU A 81 -1.907 5.874 29.822 1.00 4.20 H new ATOM 0 HA LEU A 81 -3.985 6.032 27.742 1.00 53.54 H new ATOM 0 HB2 LEU A 81 -1.188 6.616 27.976 1.00 75.52 H new ATOM 0 HB3 LEU A 81 -1.354 5.292 26.840 1.00 75.52 H new ATOM 0 HG LEU A 81 -2.857 6.645 25.444 1.00 34.12 H new ATOM 0 HD11 LEU A 81 -3.159 9.039 25.884 1.00 14.04 H new ATOM 0 HD12 LEU A 81 -3.882 8.032 27.160 1.00 14.04 H new ATOM 0 HD13 LEU A 81 -2.330 8.854 27.448 1.00 14.04 H new ATOM 0 HD21 LEU A 81 -1.148 8.278 24.672 1.00 11.34 H new ATOM 0 HD22 LEU A 81 -0.247 8.039 26.188 1.00 11.34 H new ATOM 0 HD23 LEU A 81 -0.423 6.694 25.036 1.00 11.34 H new ATOM 657 N VAL A 82 -2.530 3.367 28.878 1.00 63.54 N ATOM 658 CA VAL A 82 -2.541 1.914 28.855 1.00 13.12 C ATOM 659 C VAL A 82 -3.532 1.371 29.893 1.00 50.42 C ATOM 660 O VAL A 82 -4.264 0.417 29.635 1.00 3.31 O ATOM 661 CB VAL A 82 -1.130 1.331 29.122 1.00 22.13 C ATOM 662 CG1 VAL A 82 -1.103 -0.176 28.890 1.00 63.45 C ATOM 663 CG2 VAL A 82 -0.097 2.022 28.256 1.00 61.24 C ATOM 0 H VAL A 82 -2.027 3.775 29.666 1.00 63.54 H new ATOM 0 HA VAL A 82 -2.855 1.603 27.858 1.00 13.12 H new ATOM 0 HB VAL A 82 -0.884 1.513 30.168 1.00 22.13 H new ATOM 0 HG11 VAL A 82 -0.100 -0.556 29.085 1.00 63.45 H new ATOM 0 HG12 VAL A 82 -1.812 -0.660 29.562 1.00 63.45 H new ATOM 0 HG13 VAL A 82 -1.378 -0.390 27.857 1.00 63.45 H new ATOM 0 HG21 VAL A 82 0.888 1.600 28.457 1.00 61.24 H new ATOM 0 HG22 VAL A 82 -0.347 1.876 27.205 1.00 61.24 H new ATOM 0 HG23 VAL A 82 -0.087 3.088 28.482 1.00 61.24 H new ATOM 673 N LYS A 83 -3.543 1.986 31.053 1.00 52.15 N ATOM 674 CA LYS A 83 -4.429 1.624 32.143 1.00 62.41 C ATOM 675 C LYS A 83 -5.434 2.743 32.335 1.00 73.04 C ATOM 676 O LYS A 83 -5.117 3.892 32.075 1.00 52.24 O ATOM 677 CB LYS A 83 -3.647 1.367 33.472 1.00 74.04 C ATOM 678 CG LYS A 83 -2.843 0.063 33.534 1.00 23.23 C ATOM 679 CD LYS A 83 -1.632 0.071 32.617 1.00 0.32 C ATOM 680 CE LYS A 83 -0.905 -1.265 32.620 1.00 10.22 C ATOM 681 NZ LYS A 83 -0.419 -1.651 33.962 1.00 74.30 N ATOM 0 H LYS A 83 -2.926 2.768 31.273 1.00 52.15 H new ATOM 0 HA LYS A 83 -4.936 0.693 31.888 1.00 62.41 H new ATOM 0 HB2 LYS A 83 -2.964 2.200 33.636 1.00 74.04 H new ATOM 0 HB3 LYS A 83 -4.359 1.372 34.297 1.00 74.04 H new ATOM 0 HG2 LYS A 83 -2.515 -0.107 34.559 1.00 23.23 H new ATOM 0 HG3 LYS A 83 -3.491 -0.771 33.264 1.00 23.23 H new ATOM 0 HD2 LYS A 83 -1.948 0.309 31.601 1.00 0.32 H new ATOM 0 HD3 LYS A 83 -0.946 0.858 32.930 1.00 0.32 H new ATOM 0 HE2 LYS A 83 -1.575 -2.039 32.245 1.00 10.22 H new ATOM 0 HE3 LYS A 83 -0.060 -1.215 31.933 1.00 10.22 H new ATOM 0 HZ1 LYS A 83 0.182 -2.496 33.884 1.00 74.30 H new ATOM 0 HZ2 LYS A 83 0.133 -0.870 34.369 1.00 74.30 H new ATOM 0 HZ3 LYS A 83 -1.230 -1.859 34.578 1.00 74.30 H new ATOM 695 N LYS A 84 -6.628 2.400 32.762 1.00 74.20 N ATOM 696 CA LYS A 84 -7.728 3.335 32.945 1.00 70.15 C ATOM 697 C LYS A 84 -7.288 4.481 33.863 1.00 1.41 C ATOM 698 O LYS A 84 -6.765 4.236 34.972 1.00 72.13 O ATOM 699 CB LYS A 84 -8.865 2.540 33.549 1.00 72.03 C ATOM 700 CG LYS A 84 -10.149 3.262 33.780 1.00 5.24 C ATOM 701 CD LYS A 84 -11.146 2.265 34.297 1.00 30.51 C ATOM 702 CE LYS A 84 -12.506 2.876 34.514 1.00 40.25 C ATOM 703 NZ LYS A 84 -13.485 1.868 34.955 1.00 30.44 N ATOM 0 H LYS A 84 -6.873 1.439 32.999 1.00 74.20 H new ATOM 0 HA LYS A 84 -8.042 3.788 32.005 1.00 70.15 H new ATOM 0 HB2 LYS A 84 -9.067 1.690 32.898 1.00 72.03 H new ATOM 0 HB3 LYS A 84 -8.527 2.137 34.504 1.00 72.03 H new ATOM 0 HG2 LYS A 84 -10.009 4.071 34.497 1.00 5.24 H new ATOM 0 HG3 LYS A 84 -10.505 3.715 32.855 1.00 5.24 H new ATOM 0 HD2 LYS A 84 -11.230 1.439 33.591 1.00 30.51 H new ATOM 0 HD3 LYS A 84 -10.784 1.846 35.236 1.00 30.51 H new ATOM 0 HE2 LYS A 84 -12.436 3.668 35.260 1.00 40.25 H new ATOM 0 HE3 LYS A 84 -12.850 3.339 33.589 1.00 40.25 H new ATOM 0 HZ1 LYS A 84 -14.411 2.321 35.095 1.00 30.44 H new ATOM 0 HZ2 LYS A 84 -13.569 1.126 34.231 1.00 30.44 H new ATOM 0 HZ3 LYS A 84 -13.168 1.444 35.850 1.00 30.44 H new ATOM 717 N PRO A 85 -7.495 5.731 33.409 1.00 30.41 N ATOM 718 CA PRO A 85 -6.988 6.942 34.055 1.00 1.43 C ATOM 719 C PRO A 85 -7.362 7.051 35.516 1.00 61.03 C ATOM 720 O PRO A 85 -8.537 6.948 35.896 1.00 25.13 O ATOM 721 CB PRO A 85 -7.619 8.083 33.244 1.00 23.25 C ATOM 722 CG PRO A 85 -8.755 7.446 32.551 1.00 20.30 C ATOM 723 CD PRO A 85 -8.290 6.078 32.232 1.00 41.50 C ATOM 0 HA PRO A 85 -5.898 6.956 34.059 1.00 1.43 H new ATOM 0 HB2 PRO A 85 -7.951 8.895 33.890 1.00 23.25 H new ATOM 0 HB3 PRO A 85 -6.908 8.509 32.536 1.00 23.25 H new ATOM 0 HG2 PRO A 85 -9.642 7.424 33.185 1.00 20.30 H new ATOM 0 HG3 PRO A 85 -9.023 7.993 31.647 1.00 20.30 H new ATOM 0 HD2 PRO A 85 -9.123 5.390 32.088 1.00 41.50 H new ATOM 0 HD3 PRO A 85 -7.695 6.054 31.319 1.00 41.50 H new ATOM 731 N THR A 86 -6.360 7.240 36.319 1.00 43.31 N ATOM 732 CA THR A 86 -6.512 7.378 37.728 1.00 33.41 C ATOM 733 C THR A 86 -7.084 8.743 38.072 1.00 45.05 C ATOM 734 O THR A 86 -6.490 9.795 37.761 1.00 60.51 O ATOM 735 CB THR A 86 -5.164 7.149 38.409 1.00 54.31 C ATOM 736 OG1 THR A 86 -4.123 7.723 37.585 1.00 2.45 O ATOM 737 CG2 THR A 86 -4.906 5.662 38.613 1.00 42.15 C ATOM 0 H THR A 86 -5.393 7.303 36.001 1.00 43.31 H new ATOM 0 HA THR A 86 -7.216 6.630 38.092 1.00 33.41 H new ATOM 0 HB THR A 86 -5.171 7.627 39.389 1.00 54.31 H new ATOM 0 HG1 THR A 86 -3.253 7.584 38.013 1.00 2.45 H new ATOM 0 HG21 THR A 86 -3.940 5.524 39.099 1.00 42.15 H new ATOM 0 HG22 THR A 86 -5.692 5.239 39.239 1.00 42.15 H new ATOM 0 HG23 THR A 86 -4.901 5.158 37.647 1.00 42.15 H new ATOM 745 N GLY A 87 -8.233 8.729 38.663 1.00 55.11 N ATOM 746 CA GLY A 87 -8.915 9.934 38.993 1.00 72.22 C ATOM 747 C GLY A 87 -10.276 9.895 38.389 1.00 64.41 C ATOM 748 O GLY A 87 -10.856 8.812 38.253 1.00 23.24 O ATOM 0 H GLY A 87 -8.726 7.877 38.931 1.00 55.11 H new ATOM 0 HA2 GLY A 87 -8.985 10.044 40.075 1.00 72.22 H new ATOM 0 HA3 GLY A 87 -8.361 10.796 38.620 1.00 72.22 H new ATOM 752 N ASN A 88 -10.783 11.017 37.979 1.00 50.14 N ATOM 753 CA ASN A 88 -12.102 11.061 37.395 1.00 10.20 C ATOM 754 C ASN A 88 -12.120 11.713 36.030 1.00 14.24 C ATOM 755 O ASN A 88 -12.187 12.942 35.921 1.00 63.23 O ATOM 756 CB ASN A 88 -13.140 11.720 38.326 1.00 24.51 C ATOM 757 CG ASN A 88 -13.556 10.825 39.482 1.00 1.31 C ATOM 758 OD1 ASN A 88 -14.509 10.054 39.369 1.00 70.14 O ATOM 759 ND2 ASN A 88 -12.876 10.923 40.590 1.00 2.14 N ATOM 0 H ASN A 88 -10.309 11.918 38.035 1.00 50.14 H new ATOM 0 HA ASN A 88 -12.390 10.018 37.261 1.00 10.20 H new ATOM 0 HB2 ASN A 88 -12.727 12.647 38.723 1.00 24.51 H new ATOM 0 HB3 ASN A 88 -14.023 11.987 37.745 1.00 24.51 H new ATOM 0 HD21 ASN A 88 -13.129 10.351 41.396 1.00 2.14 H new ATOM 0 HD22 ASN A 88 -12.091 11.572 40.651 1.00 2.14 H new ATOM 766 N PRO A 89 -11.995 10.905 34.961 1.00 61.52 N ATOM 767 CA PRO A 89 -12.179 11.377 33.590 1.00 22.12 C ATOM 768 C PRO A 89 -13.691 11.537 33.353 1.00 34.41 C ATOM 769 O PRO A 89 -14.512 11.002 34.148 1.00 24.51 O ATOM 770 CB PRO A 89 -11.615 10.211 32.749 1.00 45.33 C ATOM 771 CG PRO A 89 -11.911 9.024 33.581 1.00 70.43 C ATOM 772 CD PRO A 89 -11.654 9.459 34.991 1.00 20.11 C ATOM 0 HA PRO A 89 -11.699 12.328 33.356 1.00 22.12 H new ATOM 0 HB2 PRO A 89 -12.095 10.149 31.773 1.00 45.33 H new ATOM 0 HB3 PRO A 89 -10.545 10.322 32.571 1.00 45.33 H new ATOM 0 HG2 PRO A 89 -12.943 8.699 33.451 1.00 70.43 H new ATOM 0 HG3 PRO A 89 -11.275 8.182 33.306 1.00 70.43 H new ATOM 0 HD2 PRO A 89 -12.274 8.913 35.702 1.00 20.11 H new ATOM 0 HD3 PRO A 89 -10.616 9.295 35.281 1.00 20.11 H new ATOM 780 N GLN A 90 -14.083 12.254 32.335 1.00 50.31 N ATOM 781 CA GLN A 90 -15.506 12.441 32.074 1.00 42.55 C ATOM 782 C GLN A 90 -16.070 11.143 31.496 1.00 74.33 C ATOM 783 O GLN A 90 -15.295 10.305 31.051 1.00 45.51 O ATOM 784 CB GLN A 90 -15.761 13.603 31.107 1.00 61.12 C ATOM 785 CG GLN A 90 -15.177 13.414 29.719 1.00 51.11 C ATOM 786 CD GLN A 90 -15.678 14.448 28.732 1.00 5.22 C ATOM 787 OE1 GLN A 90 -15.781 14.180 27.540 1.00 44.32 O ATOM 788 NE2 GLN A 90 -16.009 15.623 29.211 1.00 20.44 N ATOM 0 H GLN A 90 -13.458 12.717 31.675 1.00 50.31 H new ATOM 0 HA GLN A 90 -16.003 12.689 33.012 1.00 42.55 H new ATOM 0 HB2 GLN A 90 -16.837 13.753 31.016 1.00 61.12 H new ATOM 0 HB3 GLN A 90 -15.348 14.514 31.539 1.00 61.12 H new ATOM 0 HG2 GLN A 90 -14.090 13.468 29.776 1.00 51.11 H new ATOM 0 HG3 GLN A 90 -15.429 12.418 29.355 1.00 51.11 H new ATOM 0 HE21 GLN A 90 -15.911 15.813 30.208 1.00 20.44 H new ATOM 0 HE22 GLN A 90 -16.365 16.347 28.586 1.00 20.44 H new ATOM 797 N PRO A 91 -17.400 10.901 31.551 1.00 71.15 N ATOM 798 CA PRO A 91 -17.977 9.706 30.935 1.00 1.14 C ATOM 799 C PRO A 91 -17.749 9.725 29.421 1.00 3.45 C ATOM 800 O PRO A 91 -18.453 10.424 28.665 1.00 10.12 O ATOM 801 CB PRO A 91 -19.475 9.810 31.253 1.00 55.33 C ATOM 802 CG PRO A 91 -19.563 10.769 32.391 1.00 45.23 C ATOM 803 CD PRO A 91 -18.417 11.720 32.226 1.00 51.50 C ATOM 0 HA PRO A 91 -17.532 8.783 31.306 1.00 1.14 H new ATOM 0 HB2 PRO A 91 -20.037 10.168 30.391 1.00 55.33 H new ATOM 0 HB3 PRO A 91 -19.889 8.839 31.523 1.00 55.33 H new ATOM 0 HG2 PRO A 91 -20.515 11.300 32.379 1.00 45.23 H new ATOM 0 HG3 PRO A 91 -19.501 10.247 33.346 1.00 45.23 H new ATOM 0 HD2 PRO A 91 -18.696 12.589 31.630 1.00 51.50 H new ATOM 0 HD3 PRO A 91 -18.062 12.094 33.186 1.00 51.50 H new ATOM 811 N LYS A 92 -16.736 9.027 29.005 1.00 32.30 N ATOM 812 CA LYS A 92 -16.317 8.943 27.644 1.00 25.42 C ATOM 813 C LYS A 92 -15.648 7.576 27.507 1.00 2.30 C ATOM 814 O LYS A 92 -15.171 7.019 28.507 1.00 70.53 O ATOM 815 CB LYS A 92 -15.372 10.144 27.330 1.00 35.44 C ATOM 816 CG LYS A 92 -15.091 10.457 25.847 1.00 35.33 C ATOM 817 CD LYS A 92 -14.184 9.444 25.172 1.00 53.51 C ATOM 818 CE LYS A 92 -13.916 9.808 23.723 1.00 23.10 C ATOM 819 NZ LYS A 92 -15.140 9.770 22.888 1.00 53.43 N ATOM 0 H LYS A 92 -16.154 8.476 29.636 1.00 32.30 H new ATOM 0 HA LYS A 92 -17.132 9.015 26.923 1.00 25.42 H new ATOM 0 HB2 LYS A 92 -15.798 11.037 27.788 1.00 35.44 H new ATOM 0 HB3 LYS A 92 -14.417 9.959 27.822 1.00 35.44 H new ATOM 0 HG2 LYS A 92 -16.037 10.500 25.308 1.00 35.33 H new ATOM 0 HG3 LYS A 92 -14.637 11.445 25.773 1.00 35.33 H new ATOM 0 HD2 LYS A 92 -13.240 9.384 25.713 1.00 53.51 H new ATOM 0 HD3 LYS A 92 -14.642 8.456 25.220 1.00 53.51 H new ATOM 0 HE2 LYS A 92 -13.481 10.807 23.678 1.00 23.10 H new ATOM 0 HE3 LYS A 92 -13.178 9.120 23.310 1.00 23.10 H new ATOM 0 HZ1 LYS A 92 -14.880 9.875 21.886 1.00 53.43 H new ATOM 0 HZ2 LYS A 92 -15.626 8.861 23.026 1.00 53.43 H new ATOM 0 HZ3 LYS A 92 -15.774 10.547 23.165 1.00 53.43 H new ATOM 833 N ASN A 93 -15.740 6.976 26.352 1.00 13.03 N ATOM 834 CA ASN A 93 -15.148 5.668 26.132 1.00 45.05 C ATOM 835 C ASN A 93 -13.629 5.713 26.039 1.00 25.24 C ATOM 836 O ASN A 93 -13.058 6.025 24.974 1.00 62.34 O ATOM 837 CB ASN A 93 -15.719 5.000 24.901 1.00 53.14 C ATOM 838 CG ASN A 93 -17.178 4.693 25.051 1.00 52.31 C ATOM 839 OD1 ASN A 93 -17.668 4.417 26.149 1.00 62.01 O ATOM 840 ND2 ASN A 93 -17.880 4.771 23.982 1.00 22.12 N ATOM 0 H ASN A 93 -16.219 7.367 25.541 1.00 13.03 H new ATOM 0 HA ASN A 93 -15.406 5.075 27.010 1.00 45.05 H new ATOM 0 HB2 ASN A 93 -15.572 5.648 24.037 1.00 53.14 H new ATOM 0 HB3 ASN A 93 -15.173 4.077 24.704 1.00 53.14 H new ATOM 0 HD21 ASN A 93 -18.885 4.602 24.019 1.00 22.12 H new ATOM 0 HD22 ASN A 93 -17.434 5.002 23.094 1.00 22.12 H new ATOM 847 N TRP A 94 -12.991 5.491 27.161 1.00 62.23 N ATOM 848 CA TRP A 94 -11.565 5.350 27.256 1.00 53.20 C ATOM 849 C TRP A 94 -11.098 4.114 26.489 1.00 73.04 C ATOM 850 O TRP A 94 -11.804 3.084 26.439 1.00 41.34 O ATOM 851 CB TRP A 94 -11.143 5.265 28.724 1.00 63.14 C ATOM 852 CG TRP A 94 -9.688 5.050 28.918 1.00 13.20 C ATOM 853 CD1 TRP A 94 -8.726 5.999 28.944 1.00 40.04 C ATOM 854 CD2 TRP A 94 -9.032 3.797 29.106 1.00 12.04 C ATOM 855 NE1 TRP A 94 -7.501 5.410 29.116 1.00 54.02 N ATOM 856 CE2 TRP A 94 -7.668 4.060 29.220 1.00 0.14 C ATOM 857 CE3 TRP A 94 -9.477 2.474 29.180 1.00 10.25 C ATOM 858 CZ2 TRP A 94 -6.742 3.059 29.404 1.00 33.43 C ATOM 859 CZ3 TRP A 94 -8.556 1.479 29.369 1.00 43.31 C ATOM 860 CH2 TRP A 94 -7.203 1.776 29.479 1.00 72.11 C ATOM 0 H TRP A 94 -13.467 5.401 28.059 1.00 62.23 H new ATOM 0 HA TRP A 94 -11.095 6.226 26.809 1.00 53.20 H new ATOM 0 HB2 TRP A 94 -11.435 6.185 29.230 1.00 63.14 H new ATOM 0 HB3 TRP A 94 -11.688 4.451 29.202 1.00 63.14 H new ATOM 0 HD1 TRP A 94 -8.897 7.061 28.844 1.00 40.04 H new ATOM 0 HE1 TRP A 94 -6.608 5.901 29.159 1.00 54.02 H new ATOM 0 HE3 TRP A 94 -10.528 2.241 29.090 1.00 10.25 H new ATOM 0 HZ2 TRP A 94 -5.688 3.280 29.486 1.00 33.43 H new ATOM 0 HZ3 TRP A 94 -8.884 0.452 29.433 1.00 43.31 H new ATOM 0 HH2 TRP A 94 -6.498 0.971 29.628 1.00 72.11 H new ATOM 871 N ASN A 95 -9.952 4.220 25.888 1.00 53.42 N ATOM 872 CA ASN A 95 -9.358 3.153 25.135 1.00 53.52 C ATOM 873 C ASN A 95 -7.907 2.994 25.555 1.00 1.34 C ATOM 874 O ASN A 95 -7.195 3.982 25.702 1.00 1.12 O ATOM 875 CB ASN A 95 -9.417 3.474 23.648 1.00 31.24 C ATOM 876 CG ASN A 95 -8.720 2.433 22.784 1.00 60.50 C ATOM 877 OD1 ASN A 95 -8.135 2.760 21.792 1.00 1.24 O ATOM 878 ND2 ASN A 95 -8.830 1.182 23.117 1.00 10.13 N ATOM 0 H ASN A 95 -9.389 5.070 25.907 1.00 53.42 H new ATOM 0 HA ASN A 95 -9.904 2.229 25.326 1.00 53.52 H new ATOM 0 HB2 ASN A 95 -10.460 3.553 23.341 1.00 31.24 H new ATOM 0 HB3 ASN A 95 -8.959 4.448 23.474 1.00 31.24 H new ATOM 0 HD21 ASN A 95 -8.414 0.459 22.529 1.00 10.13 H new ATOM 0 HD22 ASN A 95 -9.332 0.923 23.966 1.00 10.13 H new ATOM 885 N LYS A 96 -7.476 1.768 25.755 1.00 65.04 N ATOM 886 CA LYS A 96 -6.100 1.507 26.111 1.00 12.21 C ATOM 887 C LYS A 96 -5.256 1.428 24.863 1.00 3.32 C ATOM 888 O LYS A 96 -5.731 1.701 23.751 1.00 61.31 O ATOM 889 CB LYS A 96 -5.954 0.178 26.870 1.00 54.11 C ATOM 890 CG LYS A 96 -6.178 -1.070 26.031 1.00 52.31 C ATOM 891 CD LYS A 96 -6.087 -2.320 26.882 1.00 72.23 C ATOM 892 CE LYS A 96 -6.321 -3.569 26.062 1.00 74.13 C ATOM 893 NZ LYS A 96 -6.243 -4.791 26.886 1.00 24.51 N ATOM 0 H LYS A 96 -8.060 0.935 25.677 1.00 65.04 H new ATOM 0 HA LYS A 96 -5.770 2.323 26.754 1.00 12.21 H new ATOM 0 HB2 LYS A 96 -4.955 0.132 27.302 1.00 54.11 H new ATOM 0 HB3 LYS A 96 -6.661 0.171 27.700 1.00 54.11 H new ATOM 0 HG2 LYS A 96 -7.157 -1.021 25.554 1.00 52.31 H new ATOM 0 HG3 LYS A 96 -5.437 -1.114 25.233 1.00 52.31 H new ATOM 0 HD2 LYS A 96 -5.105 -2.371 27.351 1.00 72.23 H new ATOM 0 HD3 LYS A 96 -6.822 -2.268 27.685 1.00 72.23 H new ATOM 0 HE2 LYS A 96 -7.301 -3.513 25.587 1.00 74.13 H new ATOM 0 HE3 LYS A 96 -5.582 -3.622 25.263 1.00 74.13 H new ATOM 0 HZ1 LYS A 96 -6.409 -5.625 26.287 1.00 24.51 H new ATOM 0 HZ2 LYS A 96 -5.300 -4.858 27.319 1.00 24.51 H new ATOM 0 HZ3 LYS A 96 -6.965 -4.752 27.633 1.00 24.51 H new ATOM 907 N ASP A 97 -3.996 1.087 25.067 1.00 34.40 N ATOM 908 CA ASP A 97 -3.029 0.818 24.004 1.00 14.03 C ATOM 909 C ASP A 97 -2.665 2.109 23.277 1.00 60.13 C ATOM 910 O ASP A 97 -2.064 2.109 22.204 1.00 23.31 O ATOM 911 CB ASP A 97 -3.554 -0.285 23.064 1.00 55.21 C ATOM 912 CG ASP A 97 -2.479 -0.961 22.254 1.00 31.34 C ATOM 913 OD1 ASP A 97 -1.576 -1.591 22.856 1.00 34.15 O ATOM 914 OD2 ASP A 97 -2.533 -0.924 21.014 1.00 63.31 O ATOM 0 H ASP A 97 -3.601 0.985 26.002 1.00 34.40 H new ATOM 0 HA ASP A 97 -2.105 0.437 24.439 1.00 14.03 H new ATOM 0 HB2 ASP A 97 -4.075 -1.037 23.657 1.00 55.21 H new ATOM 0 HB3 ASP A 97 -4.288 0.149 22.385 1.00 55.21 H new ATOM 919 N GLY A 98 -3.018 3.217 23.914 1.00 72.11 N ATOM 920 CA GLY A 98 -2.606 4.513 23.450 1.00 11.44 C ATOM 921 C GLY A 98 -3.695 5.299 22.785 1.00 15.15 C ATOM 922 O GLY A 98 -3.402 6.303 22.156 1.00 35.03 O ATOM 0 H GLY A 98 -3.592 3.233 24.757 1.00 72.11 H new ATOM 0 HA2 GLY A 98 -2.224 5.085 24.295 1.00 11.44 H new ATOM 0 HA3 GLY A 98 -1.781 4.391 22.749 1.00 11.44 H new ATOM 926 N TYR A 99 -4.951 4.869 22.967 1.00 3.14 N ATOM 927 CA TYR A 99 -6.099 5.489 22.311 1.00 5.14 C ATOM 928 C TYR A 99 -5.980 5.386 20.775 1.00 71.40 C ATOM 929 O TYR A 99 -5.419 6.240 20.101 1.00 31.12 O ATOM 930 CB TYR A 99 -6.355 6.938 22.798 1.00 11.20 C ATOM 931 CG TYR A 99 -7.594 7.132 23.585 1.00 21.11 C ATOM 932 CD1 TYR A 99 -8.776 7.464 22.961 1.00 75.25 C ATOM 933 CD2 TYR A 99 -7.575 7.054 24.952 1.00 23.24 C ATOM 934 CE1 TYR A 99 -9.903 7.710 23.674 1.00 3.02 C ATOM 935 CE2 TYR A 99 -8.697 7.314 25.675 1.00 42.03 C ATOM 936 CZ TYR A 99 -9.856 7.642 25.029 1.00 63.22 C ATOM 937 OH TYR A 99 -10.949 7.934 25.740 1.00 55.01 O ATOM 0 H TYR A 99 -5.194 4.084 23.572 1.00 3.14 H new ATOM 0 HA TYR A 99 -6.985 4.926 22.605 1.00 5.14 H new ATOM 0 HB2 TYR A 99 -5.506 7.255 23.404 1.00 11.20 H new ATOM 0 HB3 TYR A 99 -6.390 7.595 21.929 1.00 11.20 H new ATOM 0 HD1 TYR A 99 -8.806 7.530 21.883 1.00 75.25 H new ATOM 0 HD2 TYR A 99 -6.661 6.784 25.460 1.00 23.24 H new ATOM 0 HE1 TYR A 99 -10.826 7.957 23.170 1.00 3.02 H new ATOM 0 HE2 TYR A 99 -8.672 7.262 26.753 1.00 42.03 H new ATOM 0 HH TYR A 99 -11.691 7.366 25.447 1.00 55.01 H new ATOM 947 N LEU A 100 -6.498 4.315 20.266 1.00 60.24 N ATOM 948 CA LEU A 100 -6.437 3.956 18.874 1.00 24.00 C ATOM 949 C LEU A 100 -7.858 3.654 18.399 1.00 61.34 C ATOM 950 O LEU A 100 -8.788 3.607 19.198 1.00 70.15 O ATOM 951 CB LEU A 100 -5.526 2.697 18.746 1.00 50.44 C ATOM 952 CG LEU A 100 -5.407 2.008 17.369 1.00 14.24 C ATOM 953 CD1 LEU A 100 -4.766 2.903 16.326 1.00 21.43 C ATOM 954 CD2 LEU A 100 -4.663 0.689 17.490 1.00 51.53 C ATOM 0 H LEU A 100 -7.000 3.630 20.831 1.00 60.24 H new ATOM 0 HA LEU A 100 -6.025 4.759 18.263 1.00 24.00 H new ATOM 0 HB2 LEU A 100 -4.522 2.981 19.062 1.00 50.44 H new ATOM 0 HB3 LEU A 100 -5.886 1.954 19.458 1.00 50.44 H new ATOM 0 HG LEU A 100 -6.421 1.804 17.025 1.00 14.24 H new ATOM 0 HD11 LEU A 100 -4.706 2.371 15.377 1.00 21.43 H new ATOM 0 HD12 LEU A 100 -5.367 3.803 16.200 1.00 21.43 H new ATOM 0 HD13 LEU A 100 -3.763 3.179 16.651 1.00 21.43 H new ATOM 0 HD21 LEU A 100 -4.591 0.221 16.508 1.00 51.53 H new ATOM 0 HD22 LEU A 100 -3.662 0.871 17.880 1.00 51.53 H new ATOM 0 HD23 LEU A 100 -5.202 0.028 18.168 1.00 51.53 H new ATOM 966 N LYS A 101 -8.032 3.488 17.119 1.00 33.30 N ATOM 967 CA LYS A 101 -9.308 3.089 16.572 1.00 33.03 C ATOM 968 C LYS A 101 -9.352 1.575 16.573 1.00 33.03 C ATOM 969 O LYS A 101 -8.383 0.936 17.001 1.00 45.00 O ATOM 970 CB LYS A 101 -9.456 3.623 15.145 1.00 53.45 C ATOM 971 CG LYS A 101 -9.446 5.139 15.051 1.00 1.35 C ATOM 972 CD LYS A 101 -10.673 5.758 15.708 1.00 41.05 C ATOM 973 CE LYS A 101 -11.949 5.484 14.917 1.00 11.32 C ATOM 974 NZ LYS A 101 -13.109 6.198 15.489 1.00 53.23 N ATOM 0 H LYS A 101 -7.299 3.624 16.423 1.00 33.30 H new ATOM 0 HA LYS A 101 -10.126 3.493 17.169 1.00 33.03 H new ATOM 0 HB2 LYS A 101 -8.646 3.225 14.533 1.00 53.45 H new ATOM 0 HB3 LYS A 101 -10.388 3.249 14.722 1.00 53.45 H new ATOM 0 HG2 LYS A 101 -8.545 5.526 15.527 1.00 1.35 H new ATOM 0 HG3 LYS A 101 -9.406 5.437 14.003 1.00 1.35 H new ATOM 0 HD2 LYS A 101 -10.781 5.362 16.718 1.00 41.05 H new ATOM 0 HD3 LYS A 101 -10.529 6.834 15.801 1.00 41.05 H new ATOM 0 HE2 LYS A 101 -11.808 5.790 13.881 1.00 11.32 H new ATOM 0 HE3 LYS A 101 -12.149 4.413 14.908 1.00 11.32 H new ATOM 0 HZ1 LYS A 101 -13.958 5.988 14.926 1.00 53.23 H new ATOM 0 HZ2 LYS A 101 -13.259 5.887 16.470 1.00 53.23 H new ATOM 0 HZ3 LYS A 101 -12.928 7.222 15.474 1.00 53.23 H new ATOM 988 N LYS A 102 -10.432 0.983 16.125 1.00 63.44 N ATOM 989 CA LYS A 102 -10.457 -0.480 16.033 1.00 3.41 C ATOM 990 C LYS A 102 -9.670 -0.968 14.803 1.00 13.40 C ATOM 991 O LYS A 102 -10.219 -1.333 13.757 1.00 72.55 O ATOM 992 CB LYS A 102 -11.869 -1.151 16.176 1.00 12.40 C ATOM 993 CG LYS A 102 -12.908 -0.844 15.130 1.00 11.15 C ATOM 994 CD LYS A 102 -13.483 0.528 15.295 1.00 65.14 C ATOM 995 CE LYS A 102 -14.666 0.703 14.413 1.00 22.35 C ATOM 996 NZ LYS A 102 -14.319 0.623 12.981 1.00 14.32 N ATOM 0 H LYS A 102 -11.283 1.459 15.825 1.00 63.44 H new ATOM 0 HA LYS A 102 -9.942 -0.831 16.927 1.00 3.41 H new ATOM 0 HB2 LYS A 102 -11.725 -2.231 16.196 1.00 12.40 H new ATOM 0 HB3 LYS A 102 -12.277 -0.866 17.146 1.00 12.40 H new ATOM 0 HG2 LYS A 102 -12.462 -0.933 14.139 1.00 11.15 H new ATOM 0 HG3 LYS A 102 -13.708 -1.582 15.187 1.00 11.15 H new ATOM 0 HD2 LYS A 102 -13.770 0.686 16.335 1.00 65.14 H new ATOM 0 HD3 LYS A 102 -12.728 1.277 15.055 1.00 65.14 H new ATOM 0 HE2 LYS A 102 -15.406 -0.062 14.648 1.00 22.35 H new ATOM 0 HE3 LYS A 102 -15.129 1.668 14.618 1.00 22.35 H new ATOM 0 HZ1 LYS A 102 -15.136 0.917 12.409 1.00 14.32 H new ATOM 0 HZ2 LYS A 102 -13.514 1.251 12.783 1.00 14.32 H new ATOM 0 HZ3 LYS A 102 -14.062 -0.356 12.740 1.00 14.32 H new ATOM 1010 N LEU A 103 -8.380 -0.847 14.927 1.00 60.51 N ATOM 1011 CA LEU A 103 -7.415 -1.186 13.919 1.00 31.12 C ATOM 1012 C LEU A 103 -6.350 -2.049 14.568 1.00 1.13 C ATOM 1013 O LEU A 103 -6.120 -1.922 15.785 1.00 51.40 O ATOM 1014 CB LEU A 103 -6.761 0.099 13.368 1.00 72.40 C ATOM 1015 CG LEU A 103 -7.685 1.106 12.671 1.00 15.34 C ATOM 1016 CD1 LEU A 103 -6.918 2.370 12.326 1.00 65.22 C ATOM 1017 CD2 LEU A 103 -8.285 0.501 11.411 1.00 30.12 C ATOM 0 H LEU A 103 -7.949 -0.490 15.780 1.00 60.51 H new ATOM 0 HA LEU A 103 -7.897 -1.717 13.098 1.00 31.12 H new ATOM 0 HB2 LEU A 103 -6.266 0.609 14.195 1.00 72.40 H new ATOM 0 HB3 LEU A 103 -5.983 -0.192 12.662 1.00 72.40 H new ATOM 0 HG LEU A 103 -8.496 1.358 13.355 1.00 15.34 H new ATOM 0 HD11 LEU A 103 -7.585 3.077 11.832 1.00 65.22 H new ATOM 0 HD12 LEU A 103 -6.526 2.818 13.239 1.00 65.22 H new ATOM 0 HD13 LEU A 103 -6.092 2.124 11.659 1.00 65.22 H new ATOM 0 HD21 LEU A 103 -8.937 1.231 10.932 1.00 30.12 H new ATOM 0 HD22 LEU A 103 -7.485 0.223 10.725 1.00 30.12 H new ATOM 0 HD23 LEU A 103 -8.863 -0.385 11.673 1.00 30.12 H new ATOM 1029 N PRO A 104 -5.747 -2.986 13.825 1.00 24.43 N ATOM 1030 CA PRO A 104 -4.628 -3.768 14.333 1.00 74.01 C ATOM 1031 C PRO A 104 -3.390 -2.879 14.548 1.00 34.21 C ATOM 1032 O PRO A 104 -3.361 -1.719 14.116 1.00 2.54 O ATOM 1033 CB PRO A 104 -4.368 -4.803 13.228 1.00 14.43 C ATOM 1034 CG PRO A 104 -4.947 -4.204 11.996 1.00 41.13 C ATOM 1035 CD PRO A 104 -6.108 -3.360 12.446 1.00 4.25 C ATOM 0 HA PRO A 104 -4.842 -4.226 15.299 1.00 74.01 H new ATOM 0 HB2 PRO A 104 -3.302 -4.995 13.110 1.00 14.43 H new ATOM 0 HB3 PRO A 104 -4.840 -5.757 13.462 1.00 14.43 H new ATOM 0 HG2 PRO A 104 -4.207 -3.600 11.472 1.00 41.13 H new ATOM 0 HG3 PRO A 104 -5.275 -4.979 11.303 1.00 41.13 H new ATOM 0 HD2 PRO A 104 -6.236 -2.482 11.812 1.00 4.25 H new ATOM 0 HD3 PRO A 104 -7.045 -3.916 12.413 1.00 4.25 H new ATOM 1043 N VAL A 105 -2.377 -3.428 15.186 1.00 71.52 N ATOM 1044 CA VAL A 105 -1.178 -2.677 15.497 1.00 74.12 C ATOM 1045 C VAL A 105 -0.295 -2.607 14.235 1.00 52.31 C ATOM 1046 O VAL A 105 -0.591 -3.313 13.251 1.00 14.15 O ATOM 1047 CB VAL A 105 -0.445 -3.328 16.700 1.00 2.25 C ATOM 1048 CG1 VAL A 105 0.312 -4.605 16.330 1.00 13.55 C ATOM 1049 CG2 VAL A 105 0.423 -2.342 17.438 1.00 3.12 C ATOM 0 H VAL A 105 -2.361 -4.398 15.501 1.00 71.52 H new ATOM 0 HA VAL A 105 -1.426 -1.657 15.792 1.00 74.12 H new ATOM 0 HB VAL A 105 -1.228 -3.641 17.390 1.00 2.25 H new ATOM 0 HG11 VAL A 105 0.801 -5.008 17.217 1.00 13.55 H new ATOM 0 HG12 VAL A 105 -0.388 -5.342 15.935 1.00 13.55 H new ATOM 0 HG13 VAL A 105 1.063 -4.377 15.574 1.00 13.55 H new ATOM 0 HG21 VAL A 105 0.915 -2.843 18.271 1.00 3.12 H new ATOM 0 HG22 VAL A 105 1.176 -1.941 16.760 1.00 3.12 H new ATOM 0 HG23 VAL A 105 -0.194 -1.527 17.818 1.00 3.12 H new ATOM 1059 N ASP A 106 0.780 -1.819 14.251 1.00 62.14 N ATOM 1060 CA ASP A 106 1.537 -1.589 13.014 1.00 71.24 C ATOM 1061 C ASP A 106 2.398 -2.783 12.632 1.00 33.52 C ATOM 1062 O ASP A 106 2.766 -3.600 13.508 1.00 42.25 O ATOM 1063 CB ASP A 106 2.377 -0.290 13.070 1.00 73.24 C ATOM 1064 CG ASP A 106 2.023 0.641 11.927 1.00 45.41 C ATOM 1065 OD1 ASP A 106 1.047 1.429 12.057 1.00 35.14 O ATOM 1066 OD2 ASP A 106 2.672 0.562 10.877 1.00 11.00 O ATOM 0 H ASP A 106 1.140 -1.341 15.077 1.00 62.14 H new ATOM 0 HA ASP A 106 0.793 -1.460 12.228 1.00 71.24 H new ATOM 0 HB2 ASP A 106 2.207 0.216 14.021 1.00 73.24 H new ATOM 0 HB3 ASP A 106 3.438 -0.537 13.026 1.00 73.24 H new ATOM 1071 N PRO A 107 2.617 -2.997 11.304 1.00 22.33 N ATOM 1072 CA PRO A 107 3.530 -3.997 10.773 1.00 35.43 C ATOM 1073 C PRO A 107 4.894 -4.004 11.443 1.00 72.12 C ATOM 1074 O PRO A 107 5.233 -3.132 12.223 1.00 54.44 O ATOM 1075 CB PRO A 107 3.657 -3.612 9.301 1.00 54.34 C ATOM 1076 CG PRO A 107 2.316 -3.102 8.984 1.00 54.11 C ATOM 1077 CD PRO A 107 1.906 -2.324 10.206 1.00 72.30 C ATOM 0 HA PRO A 107 3.150 -5.004 10.943 1.00 35.43 H new ATOM 0 HB2 PRO A 107 4.425 -2.855 9.145 1.00 54.34 H new ATOM 0 HB3 PRO A 107 3.922 -4.468 8.680 1.00 54.34 H new ATOM 0 HG2 PRO A 107 2.333 -2.468 8.098 1.00 54.11 H new ATOM 0 HG3 PRO A 107 1.620 -3.916 8.781 1.00 54.11 H new ATOM 0 HD2 PRO A 107 2.192 -1.275 10.127 1.00 72.30 H new ATOM 0 HD3 PRO A 107 0.826 -2.350 10.353 1.00 72.30 H new ATOM 1085 N TRP A 108 5.656 -5.019 11.099 1.00 53.31 N ATOM 1086 CA TRP A 108 6.965 -5.365 11.667 1.00 2.13 C ATOM 1087 C TRP A 108 6.759 -5.869 13.093 1.00 2.31 C ATOM 1088 O TRP A 108 7.721 -6.053 13.861 1.00 14.21 O ATOM 1089 CB TRP A 108 7.956 -4.181 11.723 1.00 15.42 C ATOM 1090 CG TRP A 108 8.078 -3.383 10.481 1.00 42.13 C ATOM 1091 CD1 TRP A 108 8.623 -3.770 9.319 1.00 43.03 C ATOM 1092 CD2 TRP A 108 7.647 -2.033 10.309 1.00 53.44 C ATOM 1093 NE1 TRP A 108 8.579 -2.737 8.412 1.00 75.23 N ATOM 1094 CE2 TRP A 108 7.970 -1.654 9.007 1.00 5.31 C ATOM 1095 CE3 TRP A 108 7.013 -1.112 11.148 1.00 45.15 C ATOM 1096 CZ2 TRP A 108 7.682 -0.383 8.512 1.00 42.32 C ATOM 1097 CZ3 TRP A 108 6.719 0.136 10.667 1.00 12.12 C ATOM 1098 CH2 TRP A 108 7.050 0.497 9.367 1.00 63.51 C ATOM 0 H TRP A 108 5.371 -5.673 10.370 1.00 53.31 H new ATOM 0 HA TRP A 108 7.398 -6.120 11.011 1.00 2.13 H new ATOM 0 HB2 TRP A 108 7.653 -3.516 12.531 1.00 15.42 H new ATOM 0 HB3 TRP A 108 8.941 -4.568 11.982 1.00 15.42 H new ATOM 0 HD1 TRP A 108 9.036 -4.749 9.124 1.00 43.03 H new ATOM 0 HE1 TRP A 108 8.938 -2.768 7.458 1.00 75.23 H new ATOM 0 HE3 TRP A 108 6.758 -1.381 12.162 1.00 45.15 H new ATOM 0 HZ2 TRP A 108 7.942 -0.099 7.503 1.00 42.32 H new ATOM 0 HZ3 TRP A 108 6.223 0.850 11.308 1.00 12.12 H new ATOM 0 HH2 TRP A 108 6.807 1.489 9.017 1.00 63.51 H new ATOM 1109 N GLY A 109 5.503 -6.176 13.384 1.00 24.24 N ATOM 1110 CA GLY A 109 5.053 -6.576 14.706 1.00 73.24 C ATOM 1111 C GLY A 109 5.390 -5.560 15.781 1.00 23.12 C ATOM 1112 O GLY A 109 5.620 -5.927 16.932 1.00 22.20 O ATOM 0 H GLY A 109 4.754 -6.153 12.692 1.00 24.24 H new ATOM 0 HA2 GLY A 109 3.974 -6.730 14.685 1.00 73.24 H new ATOM 0 HA3 GLY A 109 5.507 -7.533 14.964 1.00 73.24 H new ATOM 1116 N ASN A 110 5.401 -4.295 15.418 1.00 43.15 N ATOM 1117 CA ASN A 110 5.720 -3.239 16.331 1.00 52.12 C ATOM 1118 C ASN A 110 4.479 -2.689 16.983 1.00 31.21 C ATOM 1119 O ASN A 110 3.483 -2.346 16.286 1.00 24.14 O ATOM 1120 CB ASN A 110 6.484 -2.101 15.638 1.00 42.25 C ATOM 1121 CG ASN A 110 7.898 -2.470 15.248 1.00 44.03 C ATOM 1122 OD1 ASN A 110 8.560 -3.270 15.913 1.00 63.12 O ATOM 1123 ND2 ASN A 110 8.378 -1.889 14.197 1.00 72.34 N ATOM 0 H ASN A 110 5.186 -3.977 14.473 1.00 43.15 H new ATOM 0 HA ASN A 110 6.363 -3.670 17.098 1.00 52.12 H new ATOM 0 HB2 ASN A 110 5.937 -1.799 14.745 1.00 42.25 H new ATOM 0 HB3 ASN A 110 6.513 -1.237 16.302 1.00 42.25 H new ATOM 0 HD21 ASN A 110 9.332 -2.088 13.895 1.00 72.34 H new ATOM 0 HD22 ASN A 110 7.803 -1.232 13.670 1.00 72.34 H new ATOM 1130 N PRO A 111 4.464 -2.665 18.325 1.00 12.42 N ATOM 1131 CA PRO A 111 3.433 -1.992 19.063 1.00 53.42 C ATOM 1132 C PRO A 111 3.620 -0.506 18.900 1.00 35.40 C ATOM 1133 O PRO A 111 4.721 -0.063 18.629 1.00 53.33 O ATOM 1134 CB PRO A 111 3.671 -2.393 20.532 1.00 11.40 C ATOM 1135 CG PRO A 111 4.707 -3.461 20.501 1.00 1.33 C ATOM 1136 CD PRO A 111 5.455 -3.291 19.214 1.00 41.23 C ATOM 0 HA PRO A 111 2.428 -2.251 18.730 1.00 53.42 H new ATOM 0 HB2 PRO A 111 4.008 -1.539 21.120 1.00 11.40 H new ATOM 0 HB3 PRO A 111 2.751 -2.754 20.992 1.00 11.40 H new ATOM 0 HG2 PRO A 111 5.379 -3.374 21.355 1.00 1.33 H new ATOM 0 HG3 PRO A 111 4.248 -4.448 20.556 1.00 1.33 H new ATOM 0 HD2 PRO A 111 6.336 -2.661 19.341 1.00 41.23 H new ATOM 0 HD3 PRO A 111 5.801 -4.247 18.821 1.00 41.23 H new ATOM 1144 N TYR A 112 2.579 0.258 19.025 1.00 33.31 N ATOM 1145 CA TYR A 112 2.747 1.677 18.945 1.00 33.34 C ATOM 1146 C TYR A 112 3.440 2.154 20.191 1.00 31.10 C ATOM 1147 O TYR A 112 3.168 1.660 21.294 1.00 1.12 O ATOM 1148 CB TYR A 112 1.431 2.422 18.747 1.00 42.31 C ATOM 1149 CG TYR A 112 0.804 2.258 17.383 1.00 11.15 C ATOM 1150 CD1 TYR A 112 1.286 2.975 16.297 1.00 74.12 C ATOM 1151 CD2 TYR A 112 -0.290 1.426 17.186 1.00 42.42 C ATOM 1152 CE1 TYR A 112 0.696 2.874 15.056 1.00 72.13 C ATOM 1153 CE2 TYR A 112 -0.881 1.310 15.944 1.00 30.11 C ATOM 1154 CZ TYR A 112 -0.386 2.038 14.884 1.00 3.14 C ATOM 1155 OH TYR A 112 -0.992 1.948 13.661 1.00 64.13 O ATOM 0 H TYR A 112 1.624 -0.066 19.179 1.00 33.31 H new ATOM 0 HA TYR A 112 3.352 1.894 18.065 1.00 33.34 H new ATOM 0 HB2 TYR A 112 0.721 2.081 19.500 1.00 42.31 H new ATOM 0 HB3 TYR A 112 1.601 3.484 18.927 1.00 42.31 H new ATOM 0 HD1 TYR A 112 2.139 3.624 16.427 1.00 74.12 H new ATOM 0 HD2 TYR A 112 -0.685 0.861 18.017 1.00 42.42 H new ATOM 0 HE1 TYR A 112 1.079 3.446 14.224 1.00 72.13 H new ATOM 0 HE2 TYR A 112 -1.726 0.653 15.804 1.00 30.11 H new ATOM 0 HH TYR A 112 -0.309 1.915 12.959 1.00 64.13 H new ATOM 1165 N GLN A 113 4.293 3.107 20.045 1.00 23.32 N ATOM 1166 CA GLN A 113 5.024 3.590 21.164 1.00 14.33 C ATOM 1167 C GLN A 113 4.351 4.869 21.545 1.00 53.45 C ATOM 1168 O GLN A 113 4.341 5.849 20.779 1.00 14.51 O ATOM 1169 CB GLN A 113 6.498 3.934 20.830 1.00 42.04 C ATOM 1170 CG GLN A 113 7.159 3.213 19.646 1.00 42.53 C ATOM 1171 CD GLN A 113 7.225 1.703 19.707 1.00 62.14 C ATOM 1172 OE1 GLN A 113 7.224 1.056 18.663 1.00 3.12 O ATOM 1173 NE2 GLN A 113 7.323 1.136 20.886 1.00 21.12 N ATOM 0 H GLN A 113 4.502 3.568 19.160 1.00 23.32 H new ATOM 0 HA GLN A 113 5.038 2.825 21.940 1.00 14.33 H new ATOM 0 HB2 GLN A 113 6.556 5.006 20.642 1.00 42.04 H new ATOM 0 HB3 GLN A 113 7.097 3.734 21.719 1.00 42.04 H new ATOM 0 HG2 GLN A 113 6.623 3.492 18.739 1.00 42.53 H new ATOM 0 HG3 GLN A 113 8.176 3.592 19.544 1.00 42.53 H new ATOM 0 HE21 GLN A 113 7.320 1.709 21.730 1.00 21.12 H new ATOM 0 HE22 GLN A 113 7.402 0.122 20.959 1.00 21.12 H new ATOM 1182 N TYR A 114 3.768 4.851 22.686 1.00 15.33 N ATOM 1183 CA TYR A 114 3.042 5.971 23.175 1.00 65.44 C ATOM 1184 C TYR A 114 3.813 6.699 24.242 1.00 32.42 C ATOM 1185 O TYR A 114 4.159 6.133 25.275 1.00 74.43 O ATOM 1186 CB TYR A 114 1.652 5.528 23.689 1.00 62.14 C ATOM 1187 CG TYR A 114 1.556 4.076 24.206 1.00 11.21 C ATOM 1188 CD1 TYR A 114 2.363 3.591 25.235 1.00 54.51 C ATOM 1189 CD2 TYR A 114 0.640 3.201 23.647 1.00 2.54 C ATOM 1190 CE1 TYR A 114 2.253 2.279 25.670 1.00 74.13 C ATOM 1191 CE2 TYR A 114 0.519 1.894 24.086 1.00 3.52 C ATOM 1192 CZ TYR A 114 1.321 1.440 25.088 1.00 72.53 C ATOM 1193 OH TYR A 114 1.209 0.127 25.501 1.00 52.21 O ATOM 0 H TYR A 114 3.780 4.050 23.317 1.00 15.33 H new ATOM 0 HA TYR A 114 2.895 6.669 22.351 1.00 65.44 H new ATOM 0 HB2 TYR A 114 1.352 6.200 24.493 1.00 62.14 H new ATOM 0 HB3 TYR A 114 0.930 5.654 22.882 1.00 62.14 H new ATOM 0 HD1 TYR A 114 3.084 4.247 25.700 1.00 54.51 H new ATOM 0 HD2 TYR A 114 0.003 3.548 22.847 1.00 2.54 H new ATOM 0 HE1 TYR A 114 2.893 1.914 26.460 1.00 74.13 H new ATOM 0 HE2 TYR A 114 -0.209 1.236 23.635 1.00 3.52 H new ATOM 0 HH TYR A 114 0.504 -0.319 24.987 1.00 52.21 H new ATOM 1203 N LEU A 115 4.114 7.932 23.967 1.00 40.35 N ATOM 1204 CA LEU A 115 4.781 8.791 24.899 1.00 51.14 C ATOM 1205 C LEU A 115 4.017 10.090 25.018 1.00 51.21 C ATOM 1206 O LEU A 115 3.308 10.491 24.087 1.00 1.43 O ATOM 1207 CB LEU A 115 6.237 9.039 24.497 1.00 61.01 C ATOM 1208 CG LEU A 115 7.174 7.829 24.491 1.00 21.31 C ATOM 1209 CD1 LEU A 115 8.538 8.235 23.966 1.00 23.44 C ATOM 1210 CD2 LEU A 115 7.297 7.237 25.889 1.00 34.25 C ATOM 0 H LEU A 115 3.900 8.377 23.075 1.00 40.35 H new ATOM 0 HA LEU A 115 4.804 8.300 25.872 1.00 51.14 H new ATOM 0 HB2 LEU A 115 6.243 9.476 23.499 1.00 61.01 H new ATOM 0 HB3 LEU A 115 6.653 9.785 25.174 1.00 61.01 H new ATOM 0 HG LEU A 115 6.755 7.066 23.835 1.00 21.31 H new ATOM 0 HD11 LEU A 115 9.200 7.369 23.965 1.00 23.44 H new ATOM 0 HD12 LEU A 115 8.438 8.617 22.950 1.00 23.44 H new ATOM 0 HD13 LEU A 115 8.958 9.011 24.606 1.00 23.44 H new ATOM 0 HD21 LEU A 115 7.967 6.378 25.863 1.00 34.25 H new ATOM 0 HD22 LEU A 115 7.697 7.989 26.569 1.00 34.25 H new ATOM 0 HD23 LEU A 115 6.314 6.920 26.237 1.00 34.25 H new ATOM 1222 N ALA A 116 4.148 10.735 26.127 1.00 75.42 N ATOM 1223 CA ALA A 116 3.471 11.952 26.363 1.00 63.03 C ATOM 1224 C ALA A 116 4.509 13.113 26.344 1.00 50.34 C ATOM 1225 O ALA A 116 5.675 12.812 26.121 1.00 62.33 O ATOM 1226 CB ALA A 116 2.650 11.809 27.594 1.00 5.52 C ATOM 0 H ALA A 116 4.736 10.424 26.900 1.00 75.42 H new ATOM 0 HA ALA A 116 2.756 12.208 25.581 1.00 63.03 H new ATOM 0 HB1 ALA A 116 2.121 12.742 27.789 1.00 5.52 H new ATOM 0 HB2 ALA A 116 1.928 11.004 27.458 1.00 5.52 H new ATOM 0 HB3 ALA A 116 3.298 11.576 28.439 1.00 5.52 H new ATOM 1232 N PRO A 117 4.142 14.428 26.601 1.00 41.14 N ATOM 1233 CA PRO A 117 4.982 15.584 26.244 1.00 30.31 C ATOM 1234 C PRO A 117 6.428 15.487 26.599 1.00 62.03 C ATOM 1235 O PRO A 117 6.810 15.374 27.779 1.00 2.12 O ATOM 1236 CB PRO A 117 4.319 16.792 26.912 1.00 44.24 C ATOM 1237 CG PRO A 117 3.462 16.199 27.958 1.00 2.13 C ATOM 1238 CD PRO A 117 3.002 14.886 27.394 1.00 72.33 C ATOM 0 HA PRO A 117 5.022 15.656 25.157 1.00 30.31 H new ATOM 0 HB2 PRO A 117 5.060 17.468 27.339 1.00 44.24 H new ATOM 0 HB3 PRO A 117 3.734 17.371 26.198 1.00 44.24 H new ATOM 0 HG2 PRO A 117 4.015 16.056 28.886 1.00 2.13 H new ATOM 0 HG3 PRO A 117 2.616 16.847 28.188 1.00 2.13 H new ATOM 0 HD2 PRO A 117 2.753 14.177 28.183 1.00 72.33 H new ATOM 0 HD3 PRO A 117 2.110 15.005 26.780 1.00 72.33 H new ATOM 1246 N GLY A 118 7.222 15.484 25.570 1.00 52.51 N ATOM 1247 CA GLY A 118 8.641 15.469 25.725 1.00 3.40 C ATOM 1248 C GLY A 118 9.151 16.864 25.885 1.00 33.15 C ATOM 1249 O GLY A 118 9.176 17.408 26.997 1.00 45.42 O ATOM 0 H GLY A 118 6.902 15.492 24.602 1.00 52.51 H new ATOM 0 HA2 GLY A 118 8.914 14.871 26.594 1.00 3.40 H new ATOM 0 HA3 GLY A 118 9.105 15.000 24.857 1.00 3.40 H new ATOM 1253 N THR A 119 9.486 17.464 24.791 1.00 41.13 N ATOM 1254 CA THR A 119 9.973 18.810 24.789 1.00 23.11 C ATOM 1255 C THR A 119 8.900 19.701 24.201 1.00 54.33 C ATOM 1256 O THR A 119 8.729 19.757 22.982 1.00 3.24 O ATOM 1257 CB THR A 119 11.247 18.932 23.947 1.00 42.00 C ATOM 1258 OG1 THR A 119 12.172 17.902 24.336 1.00 31.10 O ATOM 1259 CG2 THR A 119 11.902 20.294 24.138 1.00 50.41 C ATOM 0 H THR A 119 9.431 17.035 23.867 1.00 41.13 H new ATOM 0 HA THR A 119 10.210 19.107 25.811 1.00 23.11 H new ATOM 0 HB THR A 119 10.978 18.823 22.896 1.00 42.00 H new ATOM 0 HG1 THR A 119 12.988 17.975 23.798 1.00 31.10 H new ATOM 0 HG21 THR A 119 12.804 20.353 23.529 1.00 50.41 H new ATOM 0 HG22 THR A 119 11.208 21.077 23.835 1.00 50.41 H new ATOM 0 HG23 THR A 119 12.164 20.428 25.188 1.00 50.41 H new ATOM 1267 N LYS A 120 8.130 20.305 25.089 1.00 22.24 N ATOM 1268 CA LYS A 120 7.007 21.239 24.801 1.00 43.45 C ATOM 1269 C LYS A 120 5.903 20.711 23.853 1.00 61.22 C ATOM 1270 O LYS A 120 4.951 21.439 23.526 1.00 64.20 O ATOM 1271 CB LYS A 120 7.483 22.689 24.457 1.00 0.44 C ATOM 1272 CG LYS A 120 8.355 22.894 23.209 1.00 60.44 C ATOM 1273 CD LYS A 120 7.567 22.755 21.914 1.00 53.32 C ATOM 1274 CE LYS A 120 8.427 23.059 20.698 1.00 62.22 C ATOM 1275 NZ LYS A 120 8.891 24.466 20.679 1.00 2.42 N ATOM 0 H LYS A 120 8.262 20.163 26.090 1.00 22.24 H new ATOM 0 HA LYS A 120 6.489 21.301 25.758 1.00 43.45 H new ATOM 0 HB2 LYS A 120 6.596 23.313 24.348 1.00 0.44 H new ATOM 0 HB3 LYS A 120 8.037 23.069 25.315 1.00 0.44 H new ATOM 0 HG2 LYS A 120 8.811 23.883 23.248 1.00 60.44 H new ATOM 0 HG3 LYS A 120 9.168 22.168 23.215 1.00 60.44 H new ATOM 0 HD2 LYS A 120 7.171 21.743 21.836 1.00 53.32 H new ATOM 0 HD3 LYS A 120 6.712 23.431 21.934 1.00 53.32 H new ATOM 0 HE2 LYS A 120 9.290 22.393 20.690 1.00 62.22 H new ATOM 0 HE3 LYS A 120 7.857 22.854 19.792 1.00 62.22 H new ATOM 0 HZ1 LYS A 120 9.250 24.700 19.731 1.00 2.42 H new ATOM 0 HZ2 LYS A 120 8.098 25.096 20.915 1.00 2.42 H new ATOM 0 HZ3 LYS A 120 9.651 24.590 21.378 1.00 2.42 H new ATOM 1289 N GLY A 121 5.994 19.470 23.458 1.00 23.24 N ATOM 1290 CA GLY A 121 5.011 18.903 22.594 1.00 63.04 C ATOM 1291 C GLY A 121 4.128 17.954 23.328 1.00 5.33 C ATOM 1292 O GLY A 121 4.640 16.948 23.816 1.00 63.11 O ATOM 0 H GLY A 121 6.745 18.834 23.726 1.00 23.24 H new ATOM 0 HA2 GLY A 121 4.408 19.698 22.154 1.00 63.04 H new ATOM 0 HA3 GLY A 121 5.503 18.384 21.772 1.00 63.04 H new ATOM 1296 N PRO A 122 2.795 18.282 23.431 1.00 71.12 N ATOM 1297 CA PRO A 122 1.729 17.506 24.132 1.00 53.14 C ATOM 1298 C PRO A 122 1.818 15.977 24.108 1.00 62.24 C ATOM 1299 O PRO A 122 1.275 15.335 25.006 1.00 14.33 O ATOM 1300 CB PRO A 122 0.488 17.968 23.414 1.00 35.23 C ATOM 1301 CG PRO A 122 0.733 19.409 23.224 1.00 51.42 C ATOM 1302 CD PRO A 122 2.194 19.522 22.863 1.00 73.45 C ATOM 0 HA PRO A 122 1.787 17.697 25.203 1.00 53.14 H new ATOM 0 HB2 PRO A 122 0.356 17.452 22.463 1.00 35.23 H new ATOM 0 HB3 PRO A 122 -0.411 17.785 24.003 1.00 35.23 H new ATOM 0 HG2 PRO A 122 0.101 19.814 22.434 1.00 51.42 H new ATOM 0 HG3 PRO A 122 0.508 19.969 24.132 1.00 51.42 H new ATOM 0 HD2 PRO A 122 2.337 19.578 21.784 1.00 73.45 H new ATOM 0 HD3 PRO A 122 2.644 20.418 23.291 1.00 73.45 H new ATOM 1310 N PHE A 123 2.435 15.391 23.094 1.00 0.00 N ATOM 1311 CA PHE A 123 2.663 13.949 23.086 1.00 20.53 C ATOM 1312 C PHE A 123 3.669 13.564 22.035 1.00 73.22 C ATOM 1313 O PHE A 123 4.079 14.404 21.241 1.00 73.24 O ATOM 1314 CB PHE A 123 1.358 13.087 22.988 1.00 4.41 C ATOM 1315 CG PHE A 123 0.489 13.254 21.756 1.00 1.34 C ATOM 1316 CD1 PHE A 123 0.742 12.522 20.602 1.00 42.31 C ATOM 1317 CD2 PHE A 123 -0.612 14.099 21.771 1.00 33.53 C ATOM 1318 CE1 PHE A 123 -0.077 12.634 19.496 1.00 44.30 C ATOM 1319 CE2 PHE A 123 -1.428 14.215 20.664 1.00 3.01 C ATOM 1320 CZ PHE A 123 -1.161 13.480 19.526 1.00 73.33 C ATOM 0 H PHE A 123 2.785 15.883 22.272 1.00 0.00 H new ATOM 0 HA PHE A 123 3.079 13.713 24.066 1.00 20.53 H new ATOM 0 HB2 PHE A 123 1.644 12.037 23.056 1.00 4.41 H new ATOM 0 HB3 PHE A 123 0.745 13.307 23.862 1.00 4.41 H new ATOM 0 HD1 PHE A 123 1.592 11.856 20.570 1.00 42.31 H new ATOM 0 HD2 PHE A 123 -0.833 14.672 22.659 1.00 33.53 H new ATOM 0 HE1 PHE A 123 0.134 12.057 18.607 1.00 44.30 H new ATOM 0 HE2 PHE A 123 -2.277 14.882 20.688 1.00 3.01 H new ATOM 0 HZ PHE A 123 -1.802 13.569 18.661 1.00 73.33 H new ATOM 1330 N ASP A 124 4.089 12.319 22.077 1.00 3.51 N ATOM 1331 CA ASP A 124 4.995 11.717 21.106 1.00 50.12 C ATOM 1332 C ASP A 124 4.407 10.390 20.698 1.00 51.05 C ATOM 1333 O ASP A 124 4.388 9.445 21.491 1.00 2.10 O ATOM 1334 CB ASP A 124 6.407 11.466 21.687 1.00 72.33 C ATOM 1335 CG ASP A 124 7.331 12.660 21.729 1.00 72.05 C ATOM 1336 OD1 ASP A 124 7.228 13.485 22.663 1.00 14.44 O ATOM 1337 OD2 ASP A 124 8.255 12.738 20.883 1.00 64.33 O ATOM 0 H ASP A 124 3.803 11.670 22.810 1.00 3.51 H new ATOM 0 HA ASP A 124 5.103 12.403 20.266 1.00 50.12 H new ATOM 0 HB2 ASP A 124 6.297 11.082 22.701 1.00 72.33 H new ATOM 0 HB3 ASP A 124 6.885 10.683 21.099 1.00 72.33 H new ATOM 1342 N LEU A 125 3.887 10.304 19.507 1.00 64.23 N ATOM 1343 CA LEU A 125 3.289 9.083 19.070 1.00 51.34 C ATOM 1344 C LEU A 125 4.042 8.586 17.851 1.00 43.11 C ATOM 1345 O LEU A 125 4.266 9.342 16.901 1.00 44.21 O ATOM 1346 CB LEU A 125 1.781 9.330 18.796 1.00 44.40 C ATOM 1347 CG LEU A 125 0.870 8.131 18.460 1.00 40.12 C ATOM 1348 CD1 LEU A 125 1.146 7.557 17.081 1.00 1.21 C ATOM 1349 CD2 LEU A 125 0.974 7.051 19.533 1.00 2.32 C ATOM 0 H LEU A 125 3.867 11.063 18.826 1.00 64.23 H new ATOM 0 HA LEU A 125 3.352 8.307 19.833 1.00 51.34 H new ATOM 0 HB2 LEU A 125 1.364 9.822 19.675 1.00 44.40 H new ATOM 0 HB3 LEU A 125 1.709 10.038 17.970 1.00 44.40 H new ATOM 0 HG LEU A 125 -0.153 8.507 18.444 1.00 40.12 H new ATOM 0 HD11 LEU A 125 0.477 6.716 16.896 1.00 1.21 H new ATOM 0 HD12 LEU A 125 0.979 8.326 16.327 1.00 1.21 H new ATOM 0 HD13 LEU A 125 2.180 7.216 17.029 1.00 1.21 H new ATOM 0 HD21 LEU A 125 0.323 6.216 19.274 1.00 2.32 H new ATOM 0 HD22 LEU A 125 2.004 6.701 19.598 1.00 2.32 H new ATOM 0 HD23 LEU A 125 0.670 7.463 20.495 1.00 2.32 H new ATOM 1361 N TYR A 126 4.449 7.337 17.883 1.00 65.15 N ATOM 1362 CA TYR A 126 5.177 6.753 16.779 1.00 72.22 C ATOM 1363 C TYR A 126 5.223 5.257 16.927 1.00 73.22 C ATOM 1364 O TYR A 126 4.862 4.738 17.960 1.00 70.42 O ATOM 1365 CB TYR A 126 6.620 7.341 16.656 1.00 44.04 C ATOM 1366 CG TYR A 126 7.577 7.072 17.809 1.00 24.21 C ATOM 1367 CD1 TYR A 126 7.625 7.911 18.918 1.00 71.34 C ATOM 1368 CD2 TYR A 126 8.454 5.995 17.767 1.00 30.21 C ATOM 1369 CE1 TYR A 126 8.512 7.672 19.953 1.00 62.41 C ATOM 1370 CE2 TYR A 126 9.342 5.754 18.793 1.00 43.32 C ATOM 1371 CZ TYR A 126 9.369 6.590 19.882 1.00 33.32 C ATOM 1372 OH TYR A 126 10.267 6.344 20.908 1.00 50.14 O ATOM 0 H TYR A 126 4.287 6.703 18.666 1.00 65.15 H new ATOM 0 HA TYR A 126 4.649 7.005 15.859 1.00 72.22 H new ATOM 0 HB2 TYR A 126 7.069 6.948 15.744 1.00 44.04 H new ATOM 0 HB3 TYR A 126 6.536 8.420 16.530 1.00 44.04 H new ATOM 0 HD1 TYR A 126 6.961 8.761 18.972 1.00 71.34 H new ATOM 0 HD2 TYR A 126 8.439 5.334 16.913 1.00 30.21 H new ATOM 0 HE1 TYR A 126 8.534 8.327 20.811 1.00 62.41 H new ATOM 0 HE2 TYR A 126 10.014 4.910 18.741 1.00 43.32 H new ATOM 0 HH TYR A 126 11.015 5.811 20.567 1.00 50.14 H new ATOM 1382 N SER A 127 5.590 4.582 15.892 1.00 72.40 N ATOM 1383 CA SER A 127 5.834 3.172 15.950 1.00 12.31 C ATOM 1384 C SER A 127 7.238 2.971 15.425 1.00 50.41 C ATOM 1385 O SER A 127 7.702 3.772 14.582 1.00 41.13 O ATOM 1386 CB SER A 127 4.808 2.394 15.109 1.00 12.20 C ATOM 1387 OG SER A 127 4.906 0.998 15.318 1.00 53.34 O ATOM 0 H SER A 127 5.732 4.993 14.969 1.00 72.40 H new ATOM 0 HA SER A 127 5.735 2.795 16.968 1.00 12.31 H new ATOM 0 HB2 SER A 127 3.802 2.729 15.362 1.00 12.20 H new ATOM 0 HB3 SER A 127 4.962 2.615 14.053 1.00 12.20 H new ATOM 0 HG SER A 127 4.635 0.525 14.503 1.00 53.34 H new ATOM 1393 N LEU A 128 7.940 1.993 15.948 1.00 21.31 N ATOM 1394 CA LEU A 128 9.288 1.699 15.491 1.00 70.24 C ATOM 1395 C LEU A 128 9.296 1.241 14.028 1.00 22.51 C ATOM 1396 O LEU A 128 8.286 0.770 13.511 1.00 51.24 O ATOM 1397 CB LEU A 128 9.926 0.639 16.388 1.00 12.43 C ATOM 1398 CG LEU A 128 10.123 1.050 17.853 1.00 1.43 C ATOM 1399 CD1 LEU A 128 10.698 -0.083 18.665 1.00 65.12 C ATOM 1400 CD2 LEU A 128 11.002 2.286 17.966 1.00 31.53 C ATOM 0 H LEU A 128 7.603 1.383 16.693 1.00 21.31 H new ATOM 0 HA LEU A 128 9.874 2.616 15.552 1.00 70.24 H new ATOM 0 HB2 LEU A 128 9.307 -0.257 16.360 1.00 12.43 H new ATOM 0 HB3 LEU A 128 10.896 0.369 15.970 1.00 12.43 H new ATOM 0 HG LEU A 128 9.141 1.294 18.257 1.00 1.43 H new ATOM 0 HD11 LEU A 128 10.826 0.239 19.699 1.00 65.12 H new ATOM 0 HD12 LEU A 128 10.020 -0.935 18.632 1.00 65.12 H new ATOM 0 HD13 LEU A 128 11.665 -0.372 18.253 1.00 65.12 H new ATOM 0 HD21 LEU A 128 11.123 2.552 19.016 1.00 31.53 H new ATOM 0 HD22 LEU A 128 11.979 2.079 17.530 1.00 31.53 H new ATOM 0 HD23 LEU A 128 10.535 3.114 17.433 1.00 31.53 H new ATOM 1412 N GLY A 129 10.423 1.414 13.364 1.00 34.12 N ATOM 1413 CA GLY A 129 10.543 0.975 11.995 1.00 40.44 C ATOM 1414 C GLY A 129 10.895 -0.489 11.890 1.00 13.21 C ATOM 1415 O GLY A 129 10.850 -1.229 12.888 1.00 60.41 O ATOM 0 H GLY A 129 11.260 1.852 13.750 1.00 34.12 H new ATOM 0 HA2 GLY A 129 9.604 1.158 11.474 1.00 40.44 H new ATOM 0 HA3 GLY A 129 11.308 1.567 11.492 1.00 40.44 H new ATOM 1419 N ALA A 130 11.296 -0.893 10.704 1.00 31.44 N ATOM 1420 CA ALA A 130 11.625 -2.284 10.384 1.00 62.00 C ATOM 1421 C ALA A 130 12.789 -2.839 11.201 1.00 0.21 C ATOM 1422 O ALA A 130 12.907 -4.044 11.374 1.00 52.31 O ATOM 1423 CB ALA A 130 11.911 -2.420 8.903 1.00 21.12 C ATOM 0 H ALA A 130 11.408 -0.259 9.913 1.00 31.44 H new ATOM 0 HA ALA A 130 10.753 -2.880 10.653 1.00 62.00 H new ATOM 0 HB1 ALA A 130 12.155 -3.457 8.673 1.00 21.12 H new ATOM 0 HB2 ALA A 130 11.032 -2.119 8.333 1.00 21.12 H new ATOM 0 HB3 ALA A 130 12.753 -1.782 8.635 1.00 21.12 H new ATOM 1429 N ASP A 131 13.620 -1.972 11.724 1.00 71.35 N ATOM 1430 CA ASP A 131 14.766 -2.415 12.518 1.00 34.41 C ATOM 1431 C ASP A 131 14.412 -2.433 14.009 1.00 11.10 C ATOM 1432 O ASP A 131 15.195 -2.865 14.856 1.00 74.35 O ATOM 1433 CB ASP A 131 15.988 -1.510 12.248 1.00 71.10 C ATOM 1434 CG ASP A 131 17.238 -1.948 12.988 1.00 74.11 C ATOM 1435 OD1 ASP A 131 17.668 -3.117 12.825 1.00 61.22 O ATOM 1436 OD2 ASP A 131 17.800 -1.152 13.773 1.00 52.23 O ATOM 0 H ASP A 131 13.536 -0.961 11.622 1.00 71.35 H new ATOM 0 HA ASP A 131 15.025 -3.432 12.222 1.00 34.41 H new ATOM 0 HB2 ASP A 131 16.193 -1.500 11.178 1.00 71.10 H new ATOM 0 HB3 ASP A 131 15.744 -0.487 12.536 1.00 71.10 H new ATOM 1441 N GLY A 132 13.205 -2.009 14.321 1.00 51.02 N ATOM 1442 CA GLY A 132 12.764 -1.974 15.703 1.00 31.11 C ATOM 1443 C GLY A 132 13.441 -0.867 16.479 1.00 14.22 C ATOM 1444 O GLY A 132 13.636 -0.969 17.688 1.00 44.41 O ATOM 0 H GLY A 132 12.515 -1.686 13.643 1.00 51.02 H new ATOM 0 HA2 GLY A 132 11.684 -1.834 15.737 1.00 31.11 H new ATOM 0 HA3 GLY A 132 12.976 -2.933 16.177 1.00 31.11 H new ATOM 1448 N LYS A 133 13.825 0.171 15.773 1.00 52.22 N ATOM 1449 CA LYS A 133 14.470 1.324 16.352 1.00 23.42 C ATOM 1450 C LYS A 133 13.965 2.579 15.721 1.00 1.42 C ATOM 1451 O LYS A 133 13.517 2.559 14.564 1.00 34.51 O ATOM 1452 CB LYS A 133 16.002 1.253 16.275 1.00 13.33 C ATOM 1453 CG LYS A 133 16.597 0.294 17.277 1.00 44.40 C ATOM 1454 CD LYS A 133 18.098 0.402 17.365 1.00 64.34 C ATOM 1455 CE LYS A 133 18.598 -0.320 18.607 1.00 5.34 C ATOM 1456 NZ LYS A 133 17.966 0.226 19.844 1.00 32.24 N ATOM 0 H LYS A 133 13.695 0.238 14.763 1.00 52.22 H new ATOM 0 HA LYS A 133 14.213 1.330 17.411 1.00 23.42 H new ATOM 0 HB2 LYS A 133 16.296 0.950 15.270 1.00 13.33 H new ATOM 0 HB3 LYS A 133 16.416 2.248 16.442 1.00 13.33 H new ATOM 0 HG2 LYS A 133 16.165 0.486 18.259 1.00 44.40 H new ATOM 0 HG3 LYS A 133 16.326 -0.726 17.003 1.00 44.40 H new ATOM 0 HD2 LYS A 133 18.555 -0.029 16.474 1.00 64.34 H new ATOM 0 HD3 LYS A 133 18.394 1.450 17.399 1.00 64.34 H new ATOM 0 HE2 LYS A 133 18.379 -1.385 18.524 1.00 5.34 H new ATOM 0 HE3 LYS A 133 19.681 -0.222 18.676 1.00 5.34 H new ATOM 0 HZ1 LYS A 133 18.691 0.345 20.581 1.00 32.24 H new ATOM 0 HZ2 LYS A 133 17.531 1.147 19.634 1.00 32.24 H new ATOM 0 HZ3 LYS A 133 17.235 -0.433 20.180 1.00 32.24 H new ATOM 1470 N GLU A 134 13.931 3.643 16.492 1.00 63.04 N ATOM 1471 CA GLU A 134 13.529 4.912 15.976 1.00 1.52 C ATOM 1472 C GLU A 134 14.707 5.624 15.329 1.00 5.12 C ATOM 1473 O GLU A 134 15.657 6.049 16.005 1.00 13.10 O ATOM 1474 CB GLU A 134 12.785 5.811 17.009 1.00 25.41 C ATOM 1475 CG GLU A 134 13.492 6.074 18.341 1.00 64.10 C ATOM 1476 CD GLU A 134 13.431 4.908 19.302 1.00 0.22 C ATOM 1477 OE1 GLU A 134 14.320 4.020 19.254 1.00 24.31 O ATOM 1478 OE2 GLU A 134 12.504 4.876 20.148 1.00 2.33 O ATOM 0 H GLU A 134 14.180 3.644 17.481 1.00 63.04 H new ATOM 0 HA GLU A 134 12.785 4.711 15.206 1.00 1.52 H new ATOM 0 HB2 GLU A 134 12.583 6.773 16.537 1.00 25.41 H new ATOM 0 HB3 GLU A 134 11.820 5.352 17.223 1.00 25.41 H new ATOM 0 HG2 GLU A 134 14.536 6.318 18.146 1.00 64.10 H new ATOM 0 HG3 GLU A 134 13.043 6.947 18.814 1.00 64.10 H new ATOM 1485 N GLY A 135 14.652 5.704 14.031 1.00 33.13 N ATOM 1486 CA GLY A 135 15.693 6.309 13.252 1.00 60.50 C ATOM 1487 C GLY A 135 15.122 6.970 12.022 1.00 34.12 C ATOM 1488 O GLY A 135 13.890 7.067 11.890 1.00 61.21 O ATOM 0 H GLY A 135 13.874 5.347 13.477 1.00 33.13 H new ATOM 0 HA2 GLY A 135 16.223 7.047 13.855 1.00 60.50 H new ATOM 0 HA3 GLY A 135 16.422 5.553 12.960 1.00 60.50 H new ATOM 1492 N GLY A 136 15.978 7.445 11.149 1.00 70.30 N ATOM 1493 CA GLY A 136 15.540 8.066 9.928 1.00 63.40 C ATOM 1494 C GLY A 136 15.978 7.221 8.771 1.00 74.44 C ATOM 1495 O GLY A 136 17.164 6.907 8.649 1.00 5.01 O ATOM 0 H GLY A 136 16.991 7.411 11.266 1.00 70.30 H new ATOM 0 HA2 GLY A 136 14.455 8.173 9.927 1.00 63.40 H new ATOM 0 HA3 GLY A 136 15.959 9.068 9.843 1.00 63.40 H new ATOM 1499 N SER A 137 15.044 6.900 7.915 1.00 62.32 N ATOM 1500 CA SER A 137 15.176 5.939 6.827 1.00 72.00 C ATOM 1501 C SER A 137 13.832 5.903 6.109 1.00 35.33 C ATOM 1502 O SER A 137 12.949 6.704 6.443 1.00 23.22 O ATOM 1503 CB SER A 137 15.500 4.525 7.375 1.00 61.44 C ATOM 1504 OG SER A 137 16.789 4.440 7.950 1.00 12.40 O ATOM 0 H SER A 137 14.115 7.320 7.952 1.00 62.32 H new ATOM 0 HA SER A 137 15.986 6.232 6.160 1.00 72.00 H new ATOM 0 HB2 SER A 137 14.755 4.251 8.122 1.00 61.44 H new ATOM 0 HB3 SER A 137 15.420 3.800 6.565 1.00 61.44 H new ATOM 0 HG SER A 137 17.216 5.322 7.928 1.00 12.40 H new ATOM 1510 N ASP A 138 13.690 5.060 5.109 1.00 3.31 N ATOM 1511 CA ASP A 138 12.398 4.881 4.455 1.00 51.41 C ATOM 1512 C ASP A 138 11.504 3.988 5.295 1.00 43.24 C ATOM 1513 O ASP A 138 10.479 4.421 5.786 1.00 54.15 O ATOM 1514 CB ASP A 138 12.545 4.321 3.030 1.00 21.31 C ATOM 1515 CG ASP A 138 13.113 5.328 2.054 1.00 43.10 C ATOM 1516 OD1 ASP A 138 12.350 6.140 1.516 1.00 30.25 O ATOM 1517 OD2 ASP A 138 14.333 5.327 1.790 1.00 21.30 O ATOM 0 H ASP A 138 14.444 4.488 4.728 1.00 3.31 H new ATOM 0 HA ASP A 138 11.934 5.863 4.366 1.00 51.41 H new ATOM 0 HB2 ASP A 138 13.191 3.444 3.055 1.00 21.31 H new ATOM 0 HB3 ASP A 138 11.570 3.988 2.674 1.00 21.31 H new ATOM 1522 N ASN A 139 11.912 2.755 5.496 1.00 44.52 N ATOM 1523 CA ASN A 139 11.116 1.813 6.285 1.00 24.10 C ATOM 1524 C ASN A 139 11.780 1.455 7.612 1.00 72.53 C ATOM 1525 O ASN A 139 11.159 0.845 8.476 1.00 61.34 O ATOM 1526 CB ASN A 139 10.765 0.543 5.489 1.00 20.04 C ATOM 1527 CG ASN A 139 11.973 -0.253 5.048 1.00 65.51 C ATOM 1528 OD1 ASN A 139 12.376 -1.197 5.842 1.00 51.34 O flip ATOM 1529 ND2 ASN A 139 12.517 -0.025 3.980 1.00 21.10 N flip ATOM 0 H ASN A 139 12.784 2.373 5.130 1.00 44.52 H new ATOM 0 HA ASN A 139 10.184 2.329 6.517 1.00 24.10 H new ATOM 0 HB2 ASN A 139 10.126 -0.093 6.101 1.00 20.04 H new ATOM 0 HB3 ASN A 139 10.186 0.825 4.609 1.00 20.04 H new ATOM 0 HD21 ASN A 139 12.172 0.726 3.382 1.00 21.10 H new ATOM 0 HD22 ASN A 139 13.317 -0.585 3.685 1.00 21.10 H new ATOM 1536 N ASP A 140 13.040 1.815 7.782 1.00 35.33 N ATOM 1537 CA ASP A 140 13.728 1.580 9.076 1.00 5.43 C ATOM 1538 C ASP A 140 13.627 2.799 9.960 1.00 31.32 C ATOM 1539 O ASP A 140 14.294 2.910 10.991 1.00 23.14 O ATOM 1540 CB ASP A 140 15.195 1.165 8.913 1.00 23.41 C ATOM 1541 CG ASP A 140 15.352 -0.230 8.383 1.00 70.02 C ATOM 1542 OD1 ASP A 140 15.010 -1.178 9.088 1.00 34.42 O ATOM 1543 OD2 ASP A 140 15.807 -0.399 7.230 1.00 31.45 O ATOM 0 H ASP A 140 13.613 2.263 7.067 1.00 35.33 H new ATOM 0 HA ASP A 140 13.215 0.743 9.549 1.00 5.43 H new ATOM 0 HB2 ASP A 140 15.692 1.862 8.239 1.00 23.41 H new ATOM 0 HB3 ASP A 140 15.698 1.241 9.877 1.00 23.41 H new ATOM 1548 N ALA A 141 12.782 3.705 9.549 1.00 41.21 N ATOM 1549 CA ALA A 141 12.518 4.919 10.273 1.00 62.51 C ATOM 1550 C ALA A 141 11.362 4.728 11.200 1.00 52.44 C ATOM 1551 O ALA A 141 10.528 3.856 10.974 1.00 1.22 O ATOM 1552 CB ALA A 141 12.169 6.027 9.317 1.00 30.30 C ATOM 0 H ALA A 141 12.247 3.618 8.685 1.00 41.21 H new ATOM 0 HA ALA A 141 13.414 5.176 10.838 1.00 62.51 H new ATOM 0 HB1 ALA A 141 11.971 6.941 9.876 1.00 30.30 H new ATOM 0 HB2 ALA A 141 13.001 6.193 8.633 1.00 30.30 H new ATOM 0 HB3 ALA A 141 11.281 5.750 8.748 1.00 30.30 H new ATOM 1558 N ASP A 142 11.307 5.526 12.240 1.00 53.34 N ATOM 1559 CA ASP A 142 10.158 5.503 13.099 1.00 2.33 C ATOM 1560 C ASP A 142 9.109 6.301 12.414 1.00 33.24 C ATOM 1561 O ASP A 142 9.401 7.351 11.816 1.00 32.11 O ATOM 1562 CB ASP A 142 10.414 6.093 14.508 1.00 21.21 C ATOM 1563 CG ASP A 142 10.553 7.615 14.567 1.00 30.20 C ATOM 1564 OD1 ASP A 142 11.601 8.157 14.147 1.00 64.53 O ATOM 1565 OD2 ASP A 142 9.644 8.293 15.086 1.00 61.43 O ATOM 0 H ASP A 142 12.036 6.189 12.505 1.00 53.34 H new ATOM 0 HA ASP A 142 9.869 4.465 13.266 1.00 2.33 H new ATOM 0 HB2 ASP A 142 9.595 5.794 15.163 1.00 21.21 H new ATOM 0 HB3 ASP A 142 11.323 5.646 14.911 1.00 21.21 H new ATOM 1570 N ILE A 143 7.938 5.810 12.403 1.00 44.23 N ATOM 1571 CA ILE A 143 6.886 6.529 11.808 1.00 41.22 C ATOM 1572 C ILE A 143 6.162 7.279 12.893 1.00 23.53 C ATOM 1573 O ILE A 143 5.588 6.692 13.796 1.00 41.32 O ATOM 1574 CB ILE A 143 5.997 5.622 10.881 1.00 52.50 C ATOM 1575 CG1 ILE A 143 5.494 4.324 11.560 1.00 73.45 C ATOM 1576 CG2 ILE A 143 6.780 5.253 9.638 1.00 71.55 C ATOM 1577 CD1 ILE A 143 4.256 4.476 12.403 1.00 71.22 C ATOM 0 H ILE A 143 7.679 4.907 12.801 1.00 44.23 H new ATOM 0 HA ILE A 143 7.263 7.274 11.107 1.00 41.22 H new ATOM 0 HB ILE A 143 5.113 6.211 10.639 1.00 52.50 H new ATOM 0 HG12 ILE A 143 5.298 3.582 10.786 1.00 73.45 H new ATOM 0 HG13 ILE A 143 6.293 3.928 12.186 1.00 73.45 H new ATOM 0 HG21 ILE A 143 6.165 4.624 8.994 1.00 71.55 H new ATOM 0 HG22 ILE A 143 7.058 6.160 9.101 1.00 71.55 H new ATOM 0 HG23 ILE A 143 7.681 4.709 9.923 1.00 71.55 H new ATOM 0 HD11 ILE A 143 3.988 3.511 12.833 1.00 71.22 H new ATOM 0 HD12 ILE A 143 4.447 5.190 13.205 1.00 71.22 H new ATOM 0 HD13 ILE A 143 3.436 4.838 11.783 1.00 71.22 H new ATOM 1589 N GLY A 144 6.256 8.580 12.846 1.00 21.14 N ATOM 1590 CA GLY A 144 5.779 9.351 13.935 1.00 54.41 C ATOM 1591 C GLY A 144 4.853 10.442 13.558 1.00 32.10 C ATOM 1592 O GLY A 144 4.909 10.990 12.439 1.00 52.43 O ATOM 0 H GLY A 144 6.654 9.112 12.072 1.00 21.14 H new ATOM 0 HA2 GLY A 144 5.273 8.689 14.638 1.00 54.41 H new ATOM 0 HA3 GLY A 144 6.632 9.781 14.460 1.00 54.41 H new ATOM 1596 N ASN A 145 4.005 10.742 14.484 1.00 51.30 N ATOM 1597 CA ASN A 145 3.040 11.785 14.398 1.00 2.53 C ATOM 1598 C ASN A 145 2.739 12.241 15.788 1.00 15.03 C ATOM 1599 O ASN A 145 2.418 11.426 16.654 1.00 11.54 O ATOM 1600 CB ASN A 145 1.743 11.311 13.723 1.00 74.43 C ATOM 1601 CG ASN A 145 0.608 12.318 13.865 1.00 54.05 C ATOM 1602 OD1 ASN A 145 0.450 13.223 13.055 1.00 15.31 O ATOM 1603 ND2 ASN A 145 -0.197 12.153 14.891 1.00 30.21 N ATOM 0 H ASN A 145 3.965 10.238 15.370 1.00 51.30 H new ATOM 0 HA ASN A 145 3.444 12.595 13.791 1.00 2.53 H new ATOM 0 HB2 ASN A 145 1.933 11.130 12.665 1.00 74.43 H new ATOM 0 HB3 ASN A 145 1.437 10.360 14.159 1.00 74.43 H new ATOM 0 HD21 ASN A 145 -0.982 12.789 15.031 1.00 30.21 H new ATOM 0 HD22 ASN A 145 -0.037 11.389 15.547 1.00 30.21 H new ATOM 1610 N TRP A 146 2.846 13.495 16.030 1.00 12.13 N ATOM 1611 CA TRP A 146 2.550 13.999 17.325 1.00 33.12 C ATOM 1612 C TRP A 146 2.056 15.387 17.288 1.00 22.54 C ATOM 1613 O TRP A 146 2.297 16.124 16.337 1.00 53.21 O ATOM 1614 CB TRP A 146 3.712 13.850 18.297 1.00 14.54 C ATOM 1615 CG TRP A 146 5.045 14.288 17.788 1.00 43.14 C ATOM 1616 CD1 TRP A 146 5.489 15.559 17.576 1.00 13.21 C ATOM 1617 CD2 TRP A 146 6.119 13.426 17.468 1.00 71.35 C ATOM 1618 NE1 TRP A 146 6.787 15.526 17.126 1.00 2.42 N ATOM 1619 CE2 TRP A 146 7.196 14.222 17.054 1.00 15.32 C ATOM 1620 CE3 TRP A 146 6.264 12.049 17.492 1.00 32.33 C ATOM 1621 CZ2 TRP A 146 8.413 13.678 16.666 1.00 63.40 C ATOM 1622 CZ3 TRP A 146 7.467 11.501 17.110 1.00 52.51 C ATOM 1623 CH2 TRP A 146 8.531 12.316 16.701 1.00 63.01 C ATOM 0 H TRP A 146 3.137 14.196 15.348 1.00 12.13 H new ATOM 0 HA TRP A 146 1.740 13.376 17.704 1.00 33.12 H new ATOM 0 HB2 TRP A 146 3.483 14.420 19.198 1.00 14.54 H new ATOM 0 HB3 TRP A 146 3.783 12.803 18.591 1.00 14.54 H new ATOM 0 HD1 TRP A 146 4.909 16.456 17.737 1.00 13.21 H new ATOM 0 HE1 TRP A 146 7.353 16.340 16.885 1.00 2.42 H new ATOM 0 HE3 TRP A 146 5.447 11.416 17.805 1.00 32.33 H new ATOM 0 HZ2 TRP A 146 9.233 14.305 16.349 1.00 63.40 H new ATOM 0 HZ3 TRP A 146 7.593 10.428 17.126 1.00 52.51 H new ATOM 0 HH2 TRP A 146 9.464 11.859 16.407 1.00 63.01 H new ATOM 1634 N ASP A 147 1.365 15.734 18.318 1.00 15.22 N ATOM 1635 CA ASP A 147 0.823 17.050 18.460 1.00 32.10 C ATOM 1636 C ASP A 147 1.817 17.836 19.254 1.00 61.22 C ATOM 1637 O ASP A 147 2.047 17.554 20.440 1.00 41.10 O ATOM 1638 CB ASP A 147 -0.544 17.007 19.154 1.00 41.32 C ATOM 1639 CG ASP A 147 -1.264 18.343 19.221 1.00 51.14 C ATOM 1640 OD1 ASP A 147 -0.787 19.340 18.624 1.00 23.20 O ATOM 1641 OD2 ASP A 147 -2.356 18.412 19.847 1.00 73.42 O ATOM 0 H ASP A 147 1.155 15.109 19.096 1.00 15.22 H new ATOM 0 HA ASP A 147 0.656 17.514 17.488 1.00 32.10 H new ATOM 0 HB2 ASP A 147 -1.180 16.293 18.631 1.00 41.32 H new ATOM 0 HB3 ASP A 147 -0.410 16.631 20.168 1.00 41.32 H new ATOM 1646 N ASN A 148 2.468 18.729 18.571 1.00 61.41 N ATOM 1647 CA ASN A 148 3.515 19.547 19.120 1.00 15.31 C ATOM 1648 C ASN A 148 3.334 20.961 18.625 1.00 21.22 C ATOM 1649 O ASN A 148 2.742 21.775 19.359 1.00 45.21 O ATOM 1650 CB ASN A 148 4.882 18.981 18.701 1.00 50.31 C ATOM 1651 CG ASN A 148 6.062 19.854 19.076 1.00 51.43 C ATOM 1652 OD1 ASN A 148 6.047 20.567 20.075 1.00 2.40 O ATOM 1653 ND2 ASN A 148 7.083 19.807 18.263 1.00 10.43 N ATOM 1654 OXT ASN A 148 3.700 21.253 17.461 1.00 0.00 O ATOM 0 H ASN A 148 2.282 18.916 17.586 1.00 61.41 H new ATOM 0 HA ASN A 148 3.470 19.547 20.209 1.00 15.31 H new ATOM 0 HB2 ASN A 148 5.011 18.000 19.159 1.00 50.31 H new ATOM 0 HB3 ASN A 148 4.884 18.832 17.621 1.00 50.31 H new ATOM 0 HD21 ASN A 148 7.909 20.377 18.448 1.00 10.43 H new ATOM 0 HD22 ASN A 148 7.055 19.201 17.443 1.00 10.43 H new TER 1661 ASN A 148