USER MOD reduce.3.24.130724 H: found=0, std=0, add=791, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 793 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 37 SER OG : rot 180:sc= 0.147 USER MOD Set 1.2: A 38 GLN : amide:sc= -0.143 X(o=0.0046,f=0.14) USER MOD Single : A 3 LYS NZ :NH3+ -173:sc= 0.337 (180deg=0.19) USER MOD Single : A 9 SER OG : rot -66:sc= 0.923 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc=-0.00744 K(o=-0.0074,f=-1.7!) USER MOD Single : A 16 SER OG : rot -68:sc= 0.165 USER MOD Single : A 17 SER OG : rot 76:sc= 0.469 USER MOD Single : A 19 GLN : amide:sc= -0.377 X(o=-0.38,f=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 HIS : no HD1:sc=-0.00663 X(o=-0.0066,f=0) USER MOD Single : A 25 ASN : amide:sc= -0.68 K(o=-0.68,f=-4.8!) USER MOD Single : A 26 TYR OH : rot -117:sc= -0.825 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot -37:sc=-0.00407 USER MOD Single : A 36 SER OG : rot -50:sc= 0.47 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 MET CE :methyl -151:sc= -0.0178 (180deg=-1.16) USER MOD Single : A 48 LYS NZ :NH3+ -174:sc= 0.881 (180deg=0.85) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= 0.131 X(o=0.13,f=-0.0059) USER MOD Single : A 64 ASN : amide:sc= -0.0465 K(o=-0.046,f=-3.7!) USER MOD Single : A 67 ASN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 70 GLN :FLIP amide:sc= -0.35 F(o=-1.1,f=-0.35) USER MOD Single : A 71 ASN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 180:sc= -0.539 USER MOD Single : A 84 LYS NZ :NH3+ 147:sc= -0.195 (180deg=-1.65!) USER MOD Single : A 85 SER OG : rot -117:sc= 0.0716 USER MOD Single : A 86 THR OG1 : rot 44:sc= 0.517 USER MOD Single : A 92 THR OG1 : rot 89:sc= 1.21 USER MOD Single : A 93 GLN : amide:sc=-0.00567 X(o=-0.0057,f=-0.4) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 THR OG1 : rot -78:sc= 0.973 USER MOD ----------------------------------------------------------------- ATOM 20 N GLY A 2 3.035 2.769 13.070 1.00 32.35 N ATOM 21 CA GLY A 2 3.590 2.390 11.769 1.00 2.14 C ATOM 22 C GLY A 2 2.803 3.071 10.661 1.00 41.51 C ATOM 23 O GLY A 2 1.577 3.170 10.760 1.00 41.32 O ATOM 0 HA2 GLY A 2 4.640 2.677 11.713 1.00 2.14 H new ATOM 0 HA3 GLY A 2 3.549 1.308 11.646 1.00 2.14 H new ATOM 27 N LYS A 3 3.487 3.532 9.607 1.00 33.32 N ATOM 28 CA LYS A 3 2.876 4.398 8.582 1.00 14.43 C ATOM 29 C LYS A 3 2.918 3.713 7.204 1.00 52.43 C ATOM 30 O LYS A 3 3.996 3.496 6.648 1.00 64.11 O ATOM 31 CB LYS A 3 3.588 5.776 8.580 1.00 14.10 C ATOM 32 CG LYS A 3 2.808 6.893 7.847 1.00 35.33 C ATOM 33 CD LYS A 3 3.262 8.301 8.277 1.00 4.44 C ATOM 34 CE LYS A 3 2.444 9.416 7.617 1.00 2.22 C ATOM 35 NZ LYS A 3 2.636 9.442 6.146 1.00 62.12 N ATOM 0 H LYS A 3 4.470 3.320 9.438 1.00 33.32 H new ATOM 0 HA LYS A 3 1.825 4.566 8.817 1.00 14.43 H new ATOM 0 HB2 LYS A 3 3.760 6.085 9.611 1.00 14.10 H new ATOM 0 HB3 LYS A 3 4.567 5.666 8.113 1.00 14.10 H new ATOM 0 HG2 LYS A 3 2.944 6.782 6.771 1.00 35.33 H new ATOM 0 HG3 LYS A 3 1.742 6.780 8.047 1.00 35.33 H new ATOM 0 HD2 LYS A 3 3.180 8.389 9.360 1.00 4.44 H new ATOM 0 HD3 LYS A 3 4.315 8.431 8.025 1.00 4.44 H new ATOM 0 HE2 LYS A 3 1.387 9.274 7.843 1.00 2.22 H new ATOM 0 HE3 LYS A 3 2.734 10.378 8.039 1.00 2.22 H new ATOM 0 HZ1 LYS A 3 2.163 10.279 5.749 1.00 62.12 H new ATOM 0 HZ2 LYS A 3 3.652 9.483 5.929 1.00 62.12 H new ATOM 0 HZ3 LYS A 3 2.227 8.582 5.727 1.00 62.12 H new ATOM 49 N VAL A 4 1.729 3.345 6.681 1.00 32.00 N ATOM 50 CA VAL A 4 1.575 2.680 5.369 1.00 63.24 C ATOM 51 C VAL A 4 1.133 3.704 4.310 1.00 62.34 C ATOM 52 O VAL A 4 0.395 4.632 4.623 1.00 14.02 O ATOM 53 CB VAL A 4 0.502 1.519 5.425 1.00 62.00 C ATOM 54 CG1 VAL A 4 0.386 0.783 4.066 1.00 12.21 C ATOM 55 CG2 VAL A 4 0.806 0.519 6.562 1.00 50.30 C ATOM 0 H VAL A 4 0.843 3.502 7.161 1.00 32.00 H new ATOM 0 HA VAL A 4 2.542 2.252 5.106 1.00 63.24 H new ATOM 0 HB VAL A 4 -0.460 1.986 5.637 1.00 62.00 H new ATOM 0 HG11 VAL A 4 -0.360 -0.008 4.143 1.00 12.21 H new ATOM 0 HG12 VAL A 4 0.086 1.491 3.293 1.00 12.21 H new ATOM 0 HG13 VAL A 4 1.350 0.347 3.805 1.00 12.21 H new ATOM 0 HG21 VAL A 4 0.048 -0.264 6.570 1.00 50.30 H new ATOM 0 HG22 VAL A 4 1.787 0.073 6.401 1.00 50.30 H new ATOM 0 HG23 VAL A 4 0.797 1.042 7.518 1.00 50.30 H new ATOM 65 N LEU A 5 1.608 3.532 3.070 1.00 43.01 N ATOM 66 CA LEU A 5 1.051 4.190 1.888 1.00 22.13 C ATOM 67 C LEU A 5 0.253 3.136 1.096 1.00 55.30 C ATOM 68 O LEU A 5 0.833 2.240 0.470 1.00 2.43 O ATOM 69 CB LEU A 5 2.179 4.797 1.020 1.00 71.31 C ATOM 70 CG LEU A 5 1.719 5.550 -0.274 1.00 51.04 C ATOM 71 CD1 LEU A 5 0.774 6.727 0.053 1.00 72.00 C ATOM 72 CD2 LEU A 5 2.931 6.014 -1.101 1.00 63.52 C ATOM 0 H LEU A 5 2.400 2.924 2.860 1.00 43.01 H new ATOM 0 HA LEU A 5 0.396 5.010 2.183 1.00 22.13 H new ATOM 0 HB2 LEU A 5 2.751 5.491 1.636 1.00 71.31 H new ATOM 0 HB3 LEU A 5 2.857 3.995 0.728 1.00 71.31 H new ATOM 0 HG LEU A 5 1.151 4.844 -0.880 1.00 51.04 H new ATOM 0 HD11 LEU A 5 0.478 7.223 -0.871 1.00 72.00 H new ATOM 0 HD12 LEU A 5 -0.113 6.351 0.563 1.00 72.00 H new ATOM 0 HD13 LEU A 5 1.289 7.439 0.698 1.00 72.00 H new ATOM 0 HD21 LEU A 5 2.584 6.534 -1.994 1.00 63.52 H new ATOM 0 HD22 LEU A 5 3.543 6.689 -0.503 1.00 63.52 H new ATOM 0 HD23 LEU A 5 3.525 5.148 -1.393 1.00 63.52 H new ATOM 84 N LEU A 6 -1.078 3.230 1.168 1.00 51.33 N ATOM 85 CA LEU A 6 -2.003 2.286 0.529 1.00 34.42 C ATOM 86 C LEU A 6 -2.270 2.759 -0.912 1.00 22.40 C ATOM 87 O LEU A 6 -3.021 3.718 -1.124 1.00 23.53 O ATOM 88 CB LEU A 6 -3.331 2.215 1.340 1.00 70.21 C ATOM 89 CG LEU A 6 -4.390 1.165 0.853 1.00 32.32 C ATOM 90 CD1 LEU A 6 -3.879 -0.280 1.041 1.00 72.02 C ATOM 91 CD2 LEU A 6 -5.756 1.383 1.547 1.00 42.51 C ATOM 0 H LEU A 6 -1.551 3.975 1.679 1.00 51.33 H new ATOM 0 HA LEU A 6 -1.566 1.288 0.507 1.00 34.42 H new ATOM 0 HB2 LEU A 6 -3.085 1.996 2.379 1.00 70.21 H new ATOM 0 HB3 LEU A 6 -3.795 3.201 1.323 1.00 70.21 H new ATOM 0 HG LEU A 6 -4.540 1.317 -0.216 1.00 32.32 H new ATOM 0 HD11 LEU A 6 -4.637 -0.982 0.694 1.00 72.02 H new ATOM 0 HD12 LEU A 6 -2.964 -0.420 0.466 1.00 72.02 H new ATOM 0 HD13 LEU A 6 -3.675 -0.459 2.097 1.00 72.02 H new ATOM 0 HD21 LEU A 6 -6.469 0.640 1.189 1.00 42.51 H new ATOM 0 HD22 LEU A 6 -5.637 1.281 2.626 1.00 42.51 H new ATOM 0 HD23 LEU A 6 -6.126 2.382 1.316 1.00 42.51 H new ATOM 103 N VAL A 7 -1.637 2.094 -1.895 1.00 22.15 N ATOM 104 CA VAL A 7 -1.757 2.461 -3.313 1.00 33.12 C ATOM 105 C VAL A 7 -2.964 1.731 -3.921 1.00 64.44 C ATOM 106 O VAL A 7 -2.942 0.507 -4.134 1.00 43.12 O ATOM 107 CB VAL A 7 -0.458 2.112 -4.124 1.00 33.32 C ATOM 108 CG1 VAL A 7 -0.601 2.499 -5.628 1.00 11.00 C ATOM 109 CG2 VAL A 7 0.782 2.782 -3.485 1.00 43.23 C ATOM 0 H VAL A 7 -1.031 1.291 -1.727 1.00 22.15 H new ATOM 0 HA VAL A 7 -1.897 3.540 -3.373 1.00 33.12 H new ATOM 0 HB VAL A 7 -0.318 1.032 -4.082 1.00 33.32 H new ATOM 0 HG11 VAL A 7 0.316 2.243 -6.158 1.00 11.00 H new ATOM 0 HG12 VAL A 7 -1.437 1.954 -6.066 1.00 11.00 H new ATOM 0 HG13 VAL A 7 -0.782 3.571 -5.712 1.00 11.00 H new ATOM 0 HG21 VAL A 7 1.671 2.527 -4.062 1.00 43.23 H new ATOM 0 HG22 VAL A 7 0.649 3.864 -3.481 1.00 43.23 H new ATOM 0 HG23 VAL A 7 0.900 2.427 -2.461 1.00 43.23 H new ATOM 119 N ILE A 8 -4.030 2.504 -4.142 1.00 4.12 N ATOM 120 CA ILE A 8 -5.266 2.049 -4.770 1.00 14.13 C ATOM 121 C ILE A 8 -5.344 2.633 -6.188 1.00 63.22 C ATOM 122 O ILE A 8 -5.103 3.828 -6.396 1.00 2.22 O ATOM 123 CB ILE A 8 -6.525 2.516 -3.949 1.00 10.01 C ATOM 124 CG1 ILE A 8 -6.382 2.125 -2.447 1.00 60.40 C ATOM 125 CG2 ILE A 8 -7.839 1.952 -4.553 1.00 54.34 C ATOM 126 CD1 ILE A 8 -7.547 2.536 -1.570 1.00 31.14 C ATOM 0 H ILE A 8 -4.055 3.490 -3.881 1.00 4.12 H new ATOM 0 HA ILE A 8 -5.262 0.959 -4.801 1.00 14.13 H new ATOM 0 HB ILE A 8 -6.579 3.603 -4.012 1.00 10.01 H new ATOM 0 HG12 ILE A 8 -6.257 1.044 -2.378 1.00 60.40 H new ATOM 0 HG13 ILE A 8 -5.472 2.577 -2.053 1.00 60.40 H new ATOM 0 HG21 ILE A 8 -8.688 2.294 -3.961 1.00 54.34 H new ATOM 0 HG22 ILE A 8 -7.947 2.302 -5.579 1.00 54.34 H new ATOM 0 HG23 ILE A 8 -7.806 0.863 -4.543 1.00 54.34 H new ATOM 0 HD11 ILE A 8 -7.358 2.222 -0.543 1.00 31.14 H new ATOM 0 HD12 ILE A 8 -7.663 3.619 -1.603 1.00 31.14 H new ATOM 0 HD13 ILE A 8 -8.460 2.063 -1.932 1.00 31.14 H new ATOM 138 N SER A 9 -5.676 1.778 -7.150 1.00 13.45 N ATOM 139 CA SER A 9 -5.962 2.177 -8.531 1.00 1.44 C ATOM 140 C SER A 9 -7.067 1.258 -9.042 1.00 71.24 C ATOM 141 O SER A 9 -7.062 0.066 -8.726 1.00 44.23 O ATOM 142 CB SER A 9 -4.710 2.059 -9.439 1.00 0.21 C ATOM 143 OG SER A 9 -3.569 2.626 -8.834 1.00 22.44 O ATOM 0 H SER A 9 -5.756 0.773 -6.994 1.00 13.45 H new ATOM 0 HA SER A 9 -6.268 3.223 -8.555 1.00 1.44 H new ATOM 0 HB2 SER A 9 -4.520 1.009 -9.661 1.00 0.21 H new ATOM 0 HB3 SER A 9 -4.902 2.556 -10.390 1.00 0.21 H new ATOM 0 HG SER A 9 -3.696 3.593 -8.739 1.00 22.44 H new ATOM 149 N THR A 10 -8.018 1.806 -9.806 1.00 51.43 N ATOM 150 CA THR A 10 -9.060 1.004 -10.470 1.00 24.31 C ATOM 151 C THR A 10 -8.427 0.109 -11.573 1.00 13.31 C ATOM 152 O THR A 10 -8.944 -0.968 -11.894 1.00 42.30 O ATOM 153 CB THR A 10 -10.152 1.945 -11.072 1.00 5.14 C ATOM 154 OG1 THR A 10 -10.590 2.870 -10.061 1.00 31.34 O ATOM 155 CG2 THR A 10 -11.374 1.165 -11.605 1.00 71.24 C ATOM 0 H THR A 10 -8.090 2.808 -9.983 1.00 51.43 H new ATOM 0 HA THR A 10 -9.534 0.352 -9.736 1.00 24.31 H new ATOM 0 HB THR A 10 -9.703 2.471 -11.914 1.00 5.14 H new ATOM 0 HG1 THR A 10 -11.274 3.464 -10.435 1.00 31.34 H new ATOM 0 HG21 THR A 10 -12.103 1.865 -12.012 1.00 71.24 H new ATOM 0 HG22 THR A 10 -11.054 0.478 -12.388 1.00 71.24 H new ATOM 0 HG23 THR A 10 -11.829 0.601 -10.791 1.00 71.24 H new ATOM 163 N ASP A 11 -7.266 0.557 -12.093 1.00 2.03 N ATOM 164 CA ASP A 11 -6.530 -0.130 -13.166 1.00 55.20 C ATOM 165 C ASP A 11 -5.365 -0.937 -12.572 1.00 24.11 C ATOM 166 O ASP A 11 -4.323 -0.369 -12.207 1.00 70.42 O ATOM 167 CB ASP A 11 -6.002 0.891 -14.199 1.00 22.52 C ATOM 168 CG ASP A 11 -7.130 1.655 -14.906 1.00 45.11 C ATOM 169 OD1 ASP A 11 -7.737 1.101 -15.852 1.00 33.21 O ATOM 170 OD2 ASP A 11 -7.420 2.808 -14.519 1.00 0.01 O ATOM 0 H ASP A 11 -6.812 1.413 -11.775 1.00 2.03 H new ATOM 0 HA ASP A 11 -7.210 -0.814 -13.674 1.00 55.20 H new ATOM 0 HB2 ASP A 11 -5.345 1.602 -13.698 1.00 22.52 H new ATOM 0 HB3 ASP A 11 -5.399 0.370 -14.943 1.00 22.52 H new ATOM 175 N THR A 12 -5.557 -2.263 -12.483 1.00 72.52 N ATOM 176 CA THR A 12 -4.564 -3.212 -11.942 1.00 3.34 C ATOM 177 C THR A 12 -3.288 -3.275 -12.828 1.00 41.15 C ATOM 178 O THR A 12 -2.210 -3.640 -12.345 1.00 20.31 O ATOM 179 CB THR A 12 -5.200 -4.636 -11.796 1.00 21.31 C ATOM 180 OG1 THR A 12 -6.469 -4.519 -11.138 1.00 1.22 O ATOM 181 CG2 THR A 12 -4.310 -5.606 -10.990 1.00 14.13 C ATOM 0 H THR A 12 -6.419 -2.715 -12.789 1.00 72.52 H new ATOM 0 HA THR A 12 -4.263 -2.854 -10.958 1.00 3.34 H new ATOM 0 HB THR A 12 -5.311 -5.046 -12.800 1.00 21.31 H new ATOM 0 HG1 THR A 12 -6.873 -5.407 -11.045 1.00 1.22 H new ATOM 0 HG21 THR A 12 -4.800 -6.577 -10.921 1.00 14.13 H new ATOM 0 HG22 THR A 12 -3.349 -5.720 -11.491 1.00 14.13 H new ATOM 0 HG23 THR A 12 -4.152 -5.207 -9.988 1.00 14.13 H new ATOM 189 N ASN A 13 -3.438 -2.899 -14.124 1.00 63.31 N ATOM 190 CA ASN A 13 -2.308 -2.759 -15.076 1.00 34.43 C ATOM 191 C ASN A 13 -1.290 -1.729 -14.552 1.00 51.33 C ATOM 192 O ASN A 13 -0.077 -1.919 -14.687 1.00 13.53 O ATOM 193 CB ASN A 13 -2.806 -2.317 -16.490 1.00 21.35 C ATOM 194 CG ASN A 13 -3.679 -3.351 -17.210 1.00 31.02 C ATOM 195 OD1 ASN A 13 -4.385 -4.144 -16.590 1.00 22.24 O ATOM 196 ND2 ASN A 13 -3.651 -3.340 -18.532 1.00 40.14 N ATOM 0 H ASN A 13 -4.346 -2.685 -14.537 1.00 63.31 H new ATOM 0 HA ASN A 13 -1.831 -3.735 -15.164 1.00 34.43 H new ATOM 0 HB2 ASN A 13 -3.371 -1.391 -16.389 1.00 21.35 H new ATOM 0 HB3 ASN A 13 -1.940 -2.095 -17.113 1.00 21.35 H new ATOM 0 HD21 ASN A 13 -4.223 -3.999 -19.060 1.00 40.14 H new ATOM 0 HD22 ASN A 13 -3.057 -2.672 -19.024 1.00 40.14 H new ATOM 203 N ILE A 14 -1.813 -0.639 -13.950 1.00 41.44 N ATOM 204 CA ILE A 14 -0.991 0.445 -13.404 1.00 54.45 C ATOM 205 C ILE A 14 -0.320 -0.022 -12.099 1.00 52.40 C ATOM 206 O ILE A 14 0.885 0.153 -11.929 1.00 4.42 O ATOM 207 CB ILE A 14 -1.843 1.745 -13.151 1.00 51.21 C ATOM 208 CG1 ILE A 14 -2.588 2.191 -14.454 1.00 11.01 C ATOM 209 CG2 ILE A 14 -0.967 2.892 -12.603 1.00 53.21 C ATOM 210 CD1 ILE A 14 -1.692 2.530 -15.636 1.00 51.02 C ATOM 0 H ILE A 14 -2.816 -0.493 -13.833 1.00 41.44 H new ATOM 0 HA ILE A 14 -0.224 0.695 -14.136 1.00 54.45 H new ATOM 0 HB ILE A 14 -2.592 1.506 -12.396 1.00 51.21 H new ATOM 0 HG12 ILE A 14 -3.269 1.394 -14.753 1.00 11.01 H new ATOM 0 HG13 ILE A 14 -3.200 3.063 -14.222 1.00 11.01 H new ATOM 0 HG21 ILE A 14 -1.585 3.775 -12.439 1.00 53.21 H new ATOM 0 HG22 ILE A 14 -0.514 2.585 -11.660 1.00 53.21 H new ATOM 0 HG23 ILE A 14 -0.183 3.126 -13.323 1.00 53.21 H new ATOM 0 HD11 ILE A 14 -2.307 2.826 -16.486 1.00 51.02 H new ATOM 0 HD12 ILE A 14 -1.028 3.351 -15.365 1.00 51.02 H new ATOM 0 HD13 ILE A 14 -1.098 1.656 -15.905 1.00 51.02 H new ATOM 222 N ILE A 15 -1.125 -0.669 -11.218 1.00 22.52 N ATOM 223 CA ILE A 15 -0.664 -1.226 -9.918 1.00 34.35 C ATOM 224 C ILE A 15 0.523 -2.188 -10.123 1.00 31.35 C ATOM 225 O ILE A 15 1.484 -2.177 -9.343 1.00 50.33 O ATOM 226 CB ILE A 15 -1.849 -1.968 -9.172 1.00 74.45 C ATOM 227 CG1 ILE A 15 -2.975 -0.952 -8.812 1.00 71.04 C ATOM 228 CG2 ILE A 15 -1.371 -2.746 -7.915 1.00 0.33 C ATOM 229 CD1 ILE A 15 -4.170 -1.535 -8.077 1.00 74.42 C ATOM 0 H ILE A 15 -2.119 -0.820 -11.390 1.00 22.52 H new ATOM 0 HA ILE A 15 -0.331 -0.395 -9.297 1.00 34.35 H new ATOM 0 HB ILE A 15 -2.250 -2.714 -9.858 1.00 74.45 H new ATOM 0 HG12 ILE A 15 -2.544 -0.160 -8.199 1.00 71.04 H new ATOM 0 HG13 ILE A 15 -3.328 -0.486 -9.732 1.00 71.04 H new ATOM 0 HG21 ILE A 15 -2.224 -3.235 -7.444 1.00 0.33 H new ATOM 0 HG22 ILE A 15 -0.639 -3.498 -8.209 1.00 0.33 H new ATOM 0 HG23 ILE A 15 -0.915 -2.052 -7.209 1.00 0.33 H new ATOM 0 HD11 ILE A 15 -4.893 -0.745 -7.875 1.00 74.42 H new ATOM 0 HD12 ILE A 15 -4.636 -2.305 -8.692 1.00 74.42 H new ATOM 0 HD13 ILE A 15 -3.839 -1.974 -7.136 1.00 74.42 H new ATOM 241 N SER A 16 0.440 -2.982 -11.209 1.00 62.15 N ATOM 242 CA SER A 16 1.479 -3.933 -11.607 1.00 53.31 C ATOM 243 C SER A 16 2.782 -3.198 -11.932 1.00 75.22 C ATOM 244 O SER A 16 3.808 -3.482 -11.328 1.00 51.41 O ATOM 245 CB SER A 16 1.010 -4.759 -12.820 1.00 73.23 C ATOM 246 OG SER A 16 1.966 -5.747 -13.189 1.00 62.04 O ATOM 0 H SER A 16 -0.363 -2.975 -11.837 1.00 62.15 H new ATOM 0 HA SER A 16 1.666 -4.612 -10.775 1.00 53.31 H new ATOM 0 HB2 SER A 16 0.061 -5.241 -12.586 1.00 73.23 H new ATOM 0 HB3 SER A 16 0.830 -4.094 -13.665 1.00 73.23 H new ATOM 0 HG SER A 16 2.767 -5.310 -13.546 1.00 62.04 H new ATOM 252 N SER A 17 2.689 -2.209 -12.846 1.00 55.03 N ATOM 253 CA SER A 17 3.853 -1.464 -13.366 1.00 24.53 C ATOM 254 C SER A 17 4.629 -0.768 -12.229 1.00 12.31 C ATOM 255 O SER A 17 5.859 -0.870 -12.136 1.00 64.12 O ATOM 256 CB SER A 17 3.372 -0.431 -14.406 1.00 65.20 C ATOM 257 OG SER A 17 2.696 -1.066 -15.473 1.00 51.33 O ATOM 0 H SER A 17 1.801 -1.905 -13.245 1.00 55.03 H new ATOM 0 HA SER A 17 4.536 -2.169 -13.841 1.00 24.53 H new ATOM 0 HB2 SER A 17 2.709 0.290 -13.928 1.00 65.20 H new ATOM 0 HB3 SER A 17 4.225 0.127 -14.792 1.00 65.20 H new ATOM 0 HG SER A 17 1.799 -1.331 -15.180 1.00 51.33 H new ATOM 263 N VAL A 18 3.863 -0.113 -11.347 1.00 45.31 N ATOM 264 CA VAL A 18 4.381 0.650 -10.204 1.00 41.42 C ATOM 265 C VAL A 18 5.046 -0.285 -9.177 1.00 4.25 C ATOM 266 O VAL A 18 6.103 0.041 -8.628 1.00 10.20 O ATOM 267 CB VAL A 18 3.222 1.471 -9.531 1.00 33.31 C ATOM 268 CG1 VAL A 18 3.714 2.243 -8.285 1.00 1.14 C ATOM 269 CG2 VAL A 18 2.575 2.426 -10.563 1.00 71.33 C ATOM 0 H VAL A 18 2.845 -0.098 -11.409 1.00 45.31 H new ATOM 0 HA VAL A 18 5.138 1.345 -10.568 1.00 41.42 H new ATOM 0 HB VAL A 18 2.465 0.766 -9.188 1.00 33.31 H new ATOM 0 HG11 VAL A 18 2.883 2.798 -7.849 1.00 1.14 H new ATOM 0 HG12 VAL A 18 4.105 1.538 -7.551 1.00 1.14 H new ATOM 0 HG13 VAL A 18 4.502 2.938 -8.575 1.00 1.14 H new ATOM 0 HG21 VAL A 18 1.774 2.989 -10.085 1.00 71.33 H new ATOM 0 HG22 VAL A 18 3.328 3.117 -10.942 1.00 71.33 H new ATOM 0 HG23 VAL A 18 2.167 1.845 -11.390 1.00 71.33 H new ATOM 279 N GLN A 19 4.417 -1.457 -8.955 1.00 22.21 N ATOM 280 CA GLN A 19 4.916 -2.481 -8.022 1.00 54.14 C ATOM 281 C GLN A 19 6.278 -3.016 -8.488 1.00 62.55 C ATOM 282 O GLN A 19 7.212 -3.086 -7.702 1.00 72.40 O ATOM 283 CB GLN A 19 3.907 -3.648 -7.916 1.00 44.34 C ATOM 284 CG GLN A 19 4.310 -4.760 -6.926 1.00 32.21 C ATOM 285 CD GLN A 19 3.436 -6.010 -6.998 1.00 25.34 C ATOM 286 OE1 GLN A 19 3.905 -7.115 -6.742 1.00 51.02 O ATOM 287 NE2 GLN A 19 2.162 -5.857 -7.325 1.00 63.10 N ATOM 0 H GLN A 19 3.547 -1.718 -9.420 1.00 22.21 H new ATOM 0 HA GLN A 19 5.034 -2.021 -7.041 1.00 54.14 H new ATOM 0 HB2 GLN A 19 2.939 -3.247 -7.617 1.00 44.34 H new ATOM 0 HB3 GLN A 19 3.778 -4.089 -8.904 1.00 44.34 H new ATOM 0 HG2 GLN A 19 5.345 -5.043 -7.117 1.00 32.21 H new ATOM 0 HG3 GLN A 19 4.270 -4.361 -5.913 1.00 32.21 H new ATOM 0 HE21 GLN A 19 1.797 -4.928 -7.533 1.00 63.10 H new ATOM 0 HE22 GLN A 19 1.546 -6.669 -7.369 1.00 63.10 H new ATOM 296 N GLU A 20 6.354 -3.357 -9.789 1.00 74.04 N ATOM 297 CA GLU A 20 7.553 -3.948 -10.420 1.00 51.14 C ATOM 298 C GLU A 20 8.747 -2.977 -10.363 1.00 43.15 C ATOM 299 O GLU A 20 9.882 -3.397 -10.117 1.00 3.53 O ATOM 300 CB GLU A 20 7.227 -4.347 -11.888 1.00 44.24 C ATOM 301 CG GLU A 20 6.143 -5.438 -12.006 1.00 53.21 C ATOM 302 CD GLU A 20 5.712 -5.729 -13.453 1.00 64.31 C ATOM 303 OE1 GLU A 20 4.865 -4.982 -13.994 1.00 74.03 O ATOM 304 OE2 GLU A 20 6.217 -6.703 -14.058 1.00 22.45 O ATOM 0 H GLU A 20 5.578 -3.229 -10.439 1.00 74.04 H new ATOM 0 HA GLU A 20 7.837 -4.843 -9.866 1.00 51.14 H new ATOM 0 HB2 GLU A 20 6.900 -3.461 -12.432 1.00 44.24 H new ATOM 0 HB3 GLU A 20 8.139 -4.699 -12.371 1.00 44.24 H new ATOM 0 HG2 GLU A 20 6.516 -6.358 -11.556 1.00 53.21 H new ATOM 0 HG3 GLU A 20 5.269 -5.133 -11.431 1.00 53.21 H new ATOM 311 N ARG A 21 8.466 -1.677 -10.572 1.00 54.02 N ATOM 312 CA ARG A 21 9.491 -0.611 -10.519 1.00 42.21 C ATOM 313 C ARG A 21 9.956 -0.356 -9.076 1.00 74.22 C ATOM 314 O ARG A 21 11.158 -0.232 -8.819 1.00 12.12 O ATOM 315 CB ARG A 21 8.957 0.698 -11.169 1.00 3.32 C ATOM 316 CG ARG A 21 8.688 0.545 -12.674 1.00 62.12 C ATOM 317 CD ARG A 21 8.254 1.838 -13.377 1.00 12.12 C ATOM 318 NE ARG A 21 8.027 1.592 -14.812 1.00 33.14 N ATOM 319 CZ ARG A 21 8.889 1.867 -15.807 1.00 65.41 C ATOM 320 NH1 ARG A 21 10.071 2.426 -15.564 1.00 30.12 N ATOM 321 NH2 ARG A 21 8.571 1.536 -17.047 1.00 71.03 N ATOM 0 H ARG A 21 7.528 -1.335 -10.781 1.00 54.02 H new ATOM 0 HA ARG A 21 10.355 -0.949 -11.091 1.00 42.21 H new ATOM 0 HB2 ARG A 21 8.037 0.998 -10.668 1.00 3.32 H new ATOM 0 HB3 ARG A 21 9.681 1.498 -11.013 1.00 3.32 H new ATOM 0 HG2 ARG A 21 9.591 0.170 -13.155 1.00 62.12 H new ATOM 0 HG3 ARG A 21 7.914 -0.209 -12.817 1.00 62.12 H new ATOM 0 HD2 ARG A 21 7.342 2.220 -12.918 1.00 12.12 H new ATOM 0 HD3 ARG A 21 9.020 2.603 -13.249 1.00 12.12 H new ATOM 0 HE ARG A 21 7.134 1.175 -15.075 1.00 33.14 H new ATOM 0 HH11 ARG A 21 10.340 2.655 -14.607 1.00 30.12 H new ATOM 0 HH12 ARG A 21 10.709 2.626 -16.335 1.00 30.12 H new ATOM 0 HH21 ARG A 21 7.681 1.078 -17.240 1.00 71.03 H new ATOM 0 HH22 ARG A 21 9.216 1.739 -17.810 1.00 71.03 H new ATOM 335 N ALA A 22 8.988 -0.311 -8.147 1.00 5.40 N ATOM 336 CA ALA A 22 9.247 -0.051 -6.721 1.00 12.41 C ATOM 337 C ALA A 22 10.055 -1.196 -6.074 1.00 43.04 C ATOM 338 O ALA A 22 10.877 -0.950 -5.192 1.00 54.13 O ATOM 339 CB ALA A 22 7.916 0.178 -5.989 1.00 13.33 C ATOM 0 H ALA A 22 8.002 -0.454 -8.364 1.00 5.40 H new ATOM 0 HA ALA A 22 9.855 0.850 -6.636 1.00 12.41 H new ATOM 0 HB1 ALA A 22 8.110 0.370 -4.934 1.00 13.33 H new ATOM 0 HB2 ALA A 22 7.403 1.035 -6.426 1.00 13.33 H new ATOM 0 HB3 ALA A 22 7.289 -0.709 -6.087 1.00 13.33 H new ATOM 345 N LYS A 23 9.793 -2.444 -6.515 1.00 5.30 N ATOM 346 CA LYS A 23 10.574 -3.631 -6.109 1.00 21.54 C ATOM 347 C LYS A 23 11.967 -3.626 -6.756 1.00 13.21 C ATOM 348 O LYS A 23 12.927 -4.116 -6.166 1.00 53.41 O ATOM 349 CB LYS A 23 9.840 -4.943 -6.477 1.00 74.40 C ATOM 350 CG LYS A 23 8.529 -5.189 -5.710 1.00 71.05 C ATOM 351 CD LYS A 23 7.929 -6.587 -5.993 1.00 21.41 C ATOM 352 CE LYS A 23 8.865 -7.723 -5.537 1.00 2.24 C ATOM 353 NZ LYS A 23 8.303 -9.065 -5.812 1.00 42.14 N ATOM 0 H LYS A 23 9.034 -2.657 -7.162 1.00 5.30 H new ATOM 0 HA LYS A 23 10.685 -3.583 -5.026 1.00 21.54 H new ATOM 0 HB2 LYS A 23 9.623 -4.933 -7.545 1.00 74.40 H new ATOM 0 HB3 LYS A 23 10.513 -5.781 -6.296 1.00 74.40 H new ATOM 0 HG2 LYS A 23 8.713 -5.086 -4.641 1.00 71.05 H new ATOM 0 HG3 LYS A 23 7.803 -4.424 -5.984 1.00 71.05 H new ATOM 0 HD2 LYS A 23 6.971 -6.680 -5.482 1.00 21.41 H new ATOM 0 HD3 LYS A 23 7.732 -6.687 -7.060 1.00 21.41 H new ATOM 0 HE2 LYS A 23 9.825 -7.624 -6.043 1.00 2.24 H new ATOM 0 HE3 LYS A 23 9.057 -7.625 -4.468 1.00 2.24 H new ATOM 0 HZ1 LYS A 23 8.970 -9.794 -5.487 1.00 42.14 H new ATOM 0 HZ2 LYS A 23 7.400 -9.173 -5.308 1.00 42.14 H new ATOM 0 HZ3 LYS A 23 8.144 -9.172 -6.834 1.00 42.14 H new ATOM 367 N HIS A 24 12.066 -3.103 -7.992 1.00 62.40 N ATOM 368 CA HIS A 24 13.360 -2.983 -8.694 1.00 1.42 C ATOM 369 C HIS A 24 14.262 -1.936 -7.990 1.00 33.13 C ATOM 370 O HIS A 24 15.492 -1.977 -8.107 1.00 43.34 O ATOM 371 CB HIS A 24 13.122 -2.627 -10.188 1.00 75.41 C ATOM 372 CG HIS A 24 14.314 -2.806 -11.093 1.00 2.03 C ATOM 373 ND1 HIS A 24 14.330 -2.372 -12.400 1.00 20.40 N ATOM 374 CD2 HIS A 24 15.526 -3.380 -10.888 1.00 62.54 C ATOM 375 CE1 HIS A 24 15.491 -2.670 -12.941 1.00 55.03 C ATOM 376 NE2 HIS A 24 16.230 -3.281 -12.049 1.00 14.21 N ATOM 0 H HIS A 24 11.268 -2.757 -8.525 1.00 62.40 H new ATOM 0 HA HIS A 24 13.881 -3.940 -8.657 1.00 1.42 H new ATOM 0 HB2 HIS A 24 12.305 -3.243 -10.565 1.00 75.41 H new ATOM 0 HB3 HIS A 24 12.793 -1.589 -10.249 1.00 75.41 H new ATOM 0 HD2 HIS A 24 15.870 -3.833 -9.970 1.00 62.54 H new ATOM 0 HE1 HIS A 24 15.787 -2.447 -13.956 1.00 55.03 H new ATOM 0 HE2 HIS A 24 17.178 -3.626 -12.200 1.00 14.21 H new ATOM 385 N ASN A 25 13.630 -1.012 -7.243 1.00 74.34 N ATOM 386 CA ASN A 25 14.331 -0.018 -6.417 1.00 42.53 C ATOM 387 C ASN A 25 14.695 -0.631 -5.045 1.00 24.43 C ATOM 388 O ASN A 25 15.876 -0.801 -4.720 1.00 34.43 O ATOM 389 CB ASN A 25 13.439 1.252 -6.235 1.00 63.21 C ATOM 390 CG ASN A 25 13.264 2.121 -7.493 1.00 14.02 C ATOM 391 OD1 ASN A 25 13.128 3.335 -7.389 1.00 1.10 O ATOM 392 ND2 ASN A 25 13.238 1.535 -8.681 1.00 63.21 N ATOM 0 H ASN A 25 12.614 -0.936 -7.197 1.00 74.34 H new ATOM 0 HA ASN A 25 15.253 0.277 -6.919 1.00 42.53 H new ATOM 0 HB2 ASN A 25 12.454 0.937 -5.892 1.00 63.21 H new ATOM 0 HB3 ASN A 25 13.870 1.868 -5.446 1.00 63.21 H new ATOM 0 HD21 ASN A 25 13.104 2.095 -9.523 1.00 63.21 H new ATOM 0 HD22 ASN A 25 13.352 0.524 -8.754 1.00 63.21 H new ATOM 399 N TYR A 26 13.660 -1.015 -4.277 1.00 14.21 N ATOM 400 CA TYR A 26 13.781 -1.402 -2.852 1.00 65.41 C ATOM 401 C TYR A 26 13.657 -2.924 -2.673 1.00 32.03 C ATOM 402 O TYR A 26 13.153 -3.605 -3.563 1.00 54.24 O ATOM 403 CB TYR A 26 12.669 -0.695 -2.027 1.00 43.15 C ATOM 404 CG TYR A 26 12.687 0.821 -2.169 1.00 75.04 C ATOM 405 CD1 TYR A 26 13.631 1.592 -1.486 1.00 71.31 C ATOM 406 CD2 TYR A 26 11.787 1.477 -3.011 1.00 15.01 C ATOM 407 CE1 TYR A 26 13.676 2.956 -1.643 1.00 62.52 C ATOM 408 CE2 TYR A 26 11.828 2.837 -3.161 1.00 62.31 C ATOM 409 CZ TYR A 26 12.774 3.569 -2.482 1.00 72.01 C ATOM 410 OH TYR A 26 12.827 4.920 -2.649 1.00 34.40 O ATOM 0 H TYR A 26 12.704 -1.067 -4.628 1.00 14.21 H new ATOM 0 HA TYR A 26 14.765 -1.095 -2.499 1.00 65.41 H new ATOM 0 HB2 TYR A 26 11.696 -1.071 -2.344 1.00 43.15 H new ATOM 0 HB3 TYR A 26 12.785 -0.956 -0.975 1.00 43.15 H new ATOM 0 HD1 TYR A 26 14.335 1.109 -0.825 1.00 71.31 H new ATOM 0 HD2 TYR A 26 11.048 0.904 -3.551 1.00 15.01 H new ATOM 0 HE1 TYR A 26 14.412 3.542 -1.113 1.00 62.52 H new ATOM 0 HE2 TYR A 26 11.121 3.333 -3.809 1.00 62.31 H new ATOM 0 HH TYR A 26 11.997 5.323 -2.319 1.00 34.40 H new ATOM 420 N PRO A 27 14.123 -3.487 -1.502 1.00 72.34 N ATOM 421 CA PRO A 27 13.805 -4.882 -1.104 1.00 52.12 C ATOM 422 C PRO A 27 12.278 -5.127 -1.052 1.00 53.25 C ATOM 423 O PRO A 27 11.502 -4.225 -0.685 1.00 4.23 O ATOM 424 CB PRO A 27 14.463 -5.021 0.307 1.00 4.33 C ATOM 425 CG PRO A 27 14.736 -3.610 0.755 1.00 4.41 C ATOM 426 CD PRO A 27 15.029 -2.840 -0.510 1.00 65.14 C ATOM 0 HA PRO A 27 14.179 -5.618 -1.815 1.00 52.12 H new ATOM 0 HB2 PRO A 27 13.799 -5.534 1.003 1.00 4.33 H new ATOM 0 HB3 PRO A 27 15.383 -5.603 0.257 1.00 4.33 H new ATOM 0 HG2 PRO A 27 13.878 -3.191 1.281 1.00 4.41 H new ATOM 0 HG3 PRO A 27 15.581 -3.572 1.443 1.00 4.41 H new ATOM 0 HD2 PRO A 27 14.814 -1.778 -0.397 1.00 65.14 H new ATOM 0 HD3 PRO A 27 16.076 -2.924 -0.802 1.00 65.14 H new ATOM 434 N GLY A 28 11.866 -6.370 -1.374 1.00 13.21 N ATOM 435 CA GLY A 28 10.451 -6.730 -1.525 1.00 45.03 C ATOM 436 C GLY A 28 9.684 -6.866 -0.205 1.00 3.43 C ATOM 437 O GLY A 28 8.580 -7.422 -0.192 1.00 15.23 O ATOM 0 H GLY A 28 12.507 -7.147 -1.535 1.00 13.21 H new ATOM 0 HA2 GLY A 28 9.961 -5.974 -2.139 1.00 45.03 H new ATOM 0 HA3 GLY A 28 10.385 -7.673 -2.067 1.00 45.03 H new ATOM 441 N ARG A 29 10.277 -6.379 0.906 1.00 0.13 N ATOM 442 CA ARG A 29 9.607 -6.303 2.214 1.00 72.44 C ATOM 443 C ARG A 29 8.849 -4.972 2.361 1.00 43.11 C ATOM 444 O ARG A 29 7.789 -4.926 2.990 1.00 2.53 O ATOM 445 CB ARG A 29 10.627 -6.463 3.364 1.00 51.54 C ATOM 446 CG ARG A 29 11.400 -7.803 3.349 1.00 65.02 C ATOM 447 CD ARG A 29 12.140 -8.067 4.672 1.00 4.11 C ATOM 448 NE ARG A 29 11.204 -8.169 5.811 1.00 24.32 N ATOM 449 CZ ARG A 29 11.540 -8.090 7.111 1.00 34.43 C ATOM 450 NH1 ARG A 29 12.801 -7.912 7.497 1.00 4.24 N ATOM 451 NH2 ARG A 29 10.598 -8.207 8.025 1.00 21.13 N ATOM 0 H ARG A 29 11.235 -6.028 0.917 1.00 0.13 H new ATOM 0 HA ARG A 29 8.889 -7.121 2.271 1.00 72.44 H new ATOM 0 HB2 ARG A 29 11.344 -5.643 3.315 1.00 51.54 H new ATOM 0 HB3 ARG A 29 10.102 -6.371 4.315 1.00 51.54 H new ATOM 0 HG2 ARG A 29 10.704 -8.619 3.156 1.00 65.02 H new ATOM 0 HG3 ARG A 29 12.118 -7.796 2.529 1.00 65.02 H new ATOM 0 HD2 ARG A 29 12.715 -8.989 4.590 1.00 4.11 H new ATOM 0 HD3 ARG A 29 12.852 -7.263 4.857 1.00 4.11 H new ATOM 0 HE ARG A 29 10.218 -8.312 5.592 1.00 24.32 H new ATOM 0 HH11 ARG A 29 13.541 -7.832 6.800 1.00 4.24 H new ATOM 0 HH12 ARG A 29 13.027 -7.856 8.490 1.00 4.24 H new ATOM 0 HH21 ARG A 29 9.629 -8.355 7.743 1.00 21.13 H new ATOM 0 HH22 ARG A 29 10.838 -8.149 9.015 1.00 21.13 H new ATOM 465 N TYR A 30 9.411 -3.892 1.784 1.00 23.52 N ATOM 466 CA TYR A 30 8.819 -2.533 1.853 1.00 30.32 C ATOM 467 C TYR A 30 7.650 -2.385 0.880 1.00 43.13 C ATOM 468 O TYR A 30 6.745 -1.572 1.100 1.00 54.35 O ATOM 469 CB TYR A 30 9.899 -1.459 1.598 1.00 71.13 C ATOM 470 CG TYR A 30 10.882 -1.334 2.770 1.00 4.52 C ATOM 471 CD1 TYR A 30 11.991 -2.179 2.881 1.00 43.23 C ATOM 472 CD2 TYR A 30 10.669 -0.400 3.793 1.00 64.02 C ATOM 473 CE1 TYR A 30 12.854 -2.088 3.952 1.00 24.23 C ATOM 474 CE2 TYR A 30 11.530 -0.311 4.870 1.00 1.12 C ATOM 475 CZ TYR A 30 12.621 -1.158 4.945 1.00 32.11 C ATOM 476 OH TYR A 30 13.482 -1.081 6.023 1.00 44.42 O ATOM 0 H TYR A 30 10.284 -3.932 1.258 1.00 23.52 H new ATOM 0 HA TYR A 30 8.424 -2.387 2.858 1.00 30.32 H new ATOM 0 HB2 TYR A 30 10.449 -1.708 0.690 1.00 71.13 H new ATOM 0 HB3 TYR A 30 9.418 -0.496 1.426 1.00 71.13 H new ATOM 0 HD1 TYR A 30 12.175 -2.916 2.113 1.00 43.23 H new ATOM 0 HD2 TYR A 30 9.817 0.262 3.739 1.00 64.02 H new ATOM 0 HE1 TYR A 30 13.711 -2.743 4.014 1.00 24.23 H new ATOM 0 HE2 TYR A 30 11.352 0.416 5.649 1.00 1.12 H new ATOM 0 HH TYR A 30 13.180 -0.376 6.633 1.00 44.42 H new ATOM 486 N ILE A 31 7.683 -3.184 -0.192 1.00 51.25 N ATOM 487 CA ILE A 31 6.572 -3.300 -1.137 1.00 74.10 C ATOM 488 C ILE A 31 5.818 -4.591 -0.797 1.00 11.32 C ATOM 489 O ILE A 31 6.401 -5.681 -0.780 1.00 4.11 O ATOM 490 CB ILE A 31 7.056 -3.326 -2.643 1.00 42.52 C ATOM 491 CG1 ILE A 31 7.592 -1.923 -3.107 1.00 50.32 C ATOM 492 CG2 ILE A 31 5.924 -3.815 -3.596 1.00 33.20 C ATOM 493 CD1 ILE A 31 8.868 -1.438 -2.436 1.00 4.11 C ATOM 0 H ILE A 31 8.484 -3.769 -0.427 1.00 51.25 H new ATOM 0 HA ILE A 31 5.928 -2.425 -1.042 1.00 74.10 H new ATOM 0 HB ILE A 31 7.881 -4.036 -2.697 1.00 42.52 H new ATOM 0 HG12 ILE A 31 7.763 -1.960 -4.183 1.00 50.32 H new ATOM 0 HG13 ILE A 31 6.811 -1.183 -2.934 1.00 50.32 H new ATOM 0 HG21 ILE A 31 6.290 -3.821 -4.623 1.00 33.20 H new ATOM 0 HG22 ILE A 31 5.620 -4.823 -3.313 1.00 33.20 H new ATOM 0 HG23 ILE A 31 5.069 -3.144 -3.520 1.00 33.20 H new ATOM 0 HD11 ILE A 31 9.141 -0.461 -2.836 1.00 4.11 H new ATOM 0 HD12 ILE A 31 8.706 -1.358 -1.361 1.00 4.11 H new ATOM 0 HD13 ILE A 31 9.673 -2.147 -2.630 1.00 4.11 H new ATOM 505 N ARG A 32 4.533 -4.438 -0.497 1.00 35.01 N ATOM 506 CA ARG A 32 3.625 -5.519 -0.111 1.00 24.25 C ATOM 507 C ARG A 32 2.329 -5.344 -0.909 1.00 4.32 C ATOM 508 O ARG A 32 1.995 -4.230 -1.320 1.00 4.25 O ATOM 509 CB ARG A 32 3.364 -5.424 1.418 1.00 12.32 C ATOM 510 CG ARG A 32 2.412 -6.479 2.026 1.00 2.21 C ATOM 511 CD ARG A 32 2.906 -7.935 1.898 1.00 13.24 C ATOM 512 NE ARG A 32 2.131 -8.846 2.776 1.00 24.42 N ATOM 513 CZ ARG A 32 1.279 -9.804 2.375 1.00 50.12 C ATOM 514 NH1 ARG A 32 1.054 -10.038 1.084 1.00 22.01 N ATOM 515 NH2 ARG A 32 0.654 -10.531 3.279 1.00 72.31 N ATOM 0 H ARG A 32 4.076 -3.526 -0.516 1.00 35.01 H new ATOM 0 HA ARG A 32 4.048 -6.501 -0.325 1.00 24.25 H new ATOM 0 HB2 ARG A 32 4.323 -5.494 1.932 1.00 12.32 H new ATOM 0 HB3 ARG A 32 2.959 -4.435 1.633 1.00 12.32 H new ATOM 0 HG2 ARG A 32 2.263 -6.251 3.081 1.00 2.21 H new ATOM 0 HG3 ARG A 32 1.439 -6.395 1.541 1.00 2.21 H new ATOM 0 HD2 ARG A 32 2.817 -8.262 0.862 1.00 13.24 H new ATOM 0 HD3 ARG A 32 3.963 -7.987 2.159 1.00 13.24 H new ATOM 0 HE ARG A 32 2.257 -8.734 3.782 1.00 24.42 H new ATOM 0 HH11 ARG A 32 1.533 -9.484 0.374 1.00 22.01 H new ATOM 0 HH12 ARG A 32 0.402 -10.771 0.805 1.00 22.01 H new ATOM 0 HH21 ARG A 32 0.819 -10.363 4.271 1.00 72.31 H new ATOM 0 HH22 ARG A 32 0.005 -11.261 2.986 1.00 72.31 H new ATOM 529 N THR A 33 1.635 -6.445 -1.177 1.00 22.12 N ATOM 530 CA THR A 33 0.314 -6.424 -1.811 1.00 53.44 C ATOM 531 C THR A 33 -0.723 -7.054 -0.876 1.00 74.14 C ATOM 532 O THR A 33 -0.402 -7.934 -0.070 1.00 1.14 O ATOM 533 CB THR A 33 0.343 -7.177 -3.183 1.00 2.41 C ATOM 534 OG1 THR A 33 0.944 -8.469 -3.010 1.00 20.14 O ATOM 535 CG2 THR A 33 1.114 -6.398 -4.262 1.00 42.20 C ATOM 0 H THR A 33 1.971 -7.383 -0.961 1.00 22.12 H new ATOM 0 HA THR A 33 0.036 -5.387 -2.001 1.00 53.44 H new ATOM 0 HB THR A 33 -0.688 -7.277 -3.521 1.00 2.41 H new ATOM 0 HG1 THR A 33 0.960 -8.940 -3.869 1.00 20.14 H new ATOM 0 HG21 THR A 33 1.105 -6.962 -5.194 1.00 42.20 H new ATOM 0 HG22 THR A 33 0.640 -5.429 -4.420 1.00 42.20 H new ATOM 0 HG23 THR A 33 2.144 -6.250 -3.938 1.00 42.20 H new ATOM 543 N ALA A 34 -1.959 -6.565 -0.974 1.00 41.44 N ATOM 544 CA ALA A 34 -3.121 -7.122 -0.284 1.00 33.45 C ATOM 545 C ALA A 34 -4.081 -7.672 -1.340 1.00 12.24 C ATOM 546 O ALA A 34 -4.519 -6.924 -2.223 1.00 1.04 O ATOM 547 CB ALA A 34 -3.800 -6.035 0.567 1.00 53.23 C ATOM 0 H ALA A 34 -2.185 -5.753 -1.548 1.00 41.44 H new ATOM 0 HA ALA A 34 -2.819 -7.925 0.388 1.00 33.45 H new ATOM 0 HB1 ALA A 34 -4.665 -6.460 1.077 1.00 53.23 H new ATOM 0 HB2 ALA A 34 -3.093 -5.656 1.305 1.00 53.23 H new ATOM 0 HB3 ALA A 34 -4.124 -5.218 -0.078 1.00 53.23 H new ATOM 553 N THR A 35 -4.359 -8.986 -1.291 1.00 31.22 N ATOM 554 CA THR A 35 -5.348 -9.626 -2.179 1.00 32.41 C ATOM 555 C THR A 35 -6.586 -10.075 -1.378 1.00 3.04 C ATOM 556 O THR A 35 -7.636 -10.368 -1.956 1.00 64.31 O ATOM 557 CB THR A 35 -4.724 -10.821 -2.986 1.00 52.02 C ATOM 558 OG1 THR A 35 -5.571 -11.155 -4.097 1.00 62.40 O ATOM 559 CG2 THR A 35 -4.483 -12.079 -2.128 1.00 64.50 C ATOM 0 H THR A 35 -3.909 -9.631 -0.641 1.00 31.22 H new ATOM 0 HA THR A 35 -5.666 -8.883 -2.910 1.00 32.41 H new ATOM 0 HB THR A 35 -3.748 -10.483 -3.335 1.00 52.02 H new ATOM 0 HG1 THR A 35 -6.510 -11.051 -3.836 1.00 62.40 H new ATOM 0 HG21 THR A 35 -4.051 -12.865 -2.748 1.00 64.50 H new ATOM 0 HG22 THR A 35 -3.797 -11.839 -1.315 1.00 64.50 H new ATOM 0 HG23 THR A 35 -5.430 -12.424 -1.713 1.00 64.50 H new ATOM 567 N SER A 36 -6.459 -10.099 -0.042 1.00 12.00 N ATOM 568 CA SER A 36 -7.554 -10.458 0.864 1.00 22.11 C ATOM 569 C SER A 36 -7.375 -9.750 2.211 1.00 55.42 C ATOM 570 O SER A 36 -6.303 -9.195 2.502 1.00 12.21 O ATOM 571 CB SER A 36 -7.599 -11.995 1.058 1.00 34.41 C ATOM 572 OG SER A 36 -6.408 -12.479 1.652 1.00 21.14 O ATOM 0 H SER A 36 -5.590 -9.869 0.439 1.00 12.00 H new ATOM 0 HA SER A 36 -8.499 -10.136 0.427 1.00 22.11 H new ATOM 0 HB2 SER A 36 -8.452 -12.259 1.683 1.00 34.41 H new ATOM 0 HB3 SER A 36 -7.749 -12.480 0.093 1.00 34.41 H new ATOM 0 HG SER A 36 -5.634 -12.132 1.162 1.00 21.14 H new ATOM 578 N SER A 37 -8.441 -9.809 3.028 1.00 73.24 N ATOM 579 CA SER A 37 -8.446 -9.325 4.414 1.00 0.44 C ATOM 580 C SER A 37 -7.416 -10.098 5.265 1.00 52.23 C ATOM 581 O SER A 37 -6.920 -9.577 6.255 1.00 22.31 O ATOM 582 CB SER A 37 -9.860 -9.479 5.008 1.00 75.42 C ATOM 583 OG SER A 37 -10.286 -10.833 4.969 1.00 44.03 O ATOM 0 H SER A 37 -9.336 -10.201 2.736 1.00 73.24 H new ATOM 0 HA SER A 37 -8.167 -8.271 4.422 1.00 0.44 H new ATOM 0 HB2 SER A 37 -9.866 -9.122 6.038 1.00 75.42 H new ATOM 0 HB3 SER A 37 -10.561 -8.858 4.451 1.00 75.42 H new ATOM 0 HG SER A 37 -11.185 -10.904 5.353 1.00 44.03 H new ATOM 589 N GLN A 38 -7.105 -11.345 4.836 1.00 51.25 N ATOM 590 CA GLN A 38 -6.108 -12.208 5.493 1.00 72.41 C ATOM 591 C GLN A 38 -4.713 -11.561 5.406 1.00 5.13 C ATOM 592 O GLN A 38 -4.048 -11.376 6.428 1.00 40.52 O ATOM 593 CB GLN A 38 -6.095 -13.622 4.844 1.00 52.51 C ATOM 594 CG GLN A 38 -7.487 -14.278 4.686 1.00 52.33 C ATOM 595 CD GLN A 38 -8.276 -14.381 5.993 1.00 62.22 C ATOM 596 OE1 GLN A 38 -8.164 -15.362 6.729 1.00 2.34 O ATOM 597 NE2 GLN A 38 -9.089 -13.377 6.292 1.00 2.33 N ATOM 0 H GLN A 38 -7.543 -11.777 4.022 1.00 51.25 H new ATOM 0 HA GLN A 38 -6.379 -12.319 6.543 1.00 72.41 H new ATOM 0 HB2 GLN A 38 -5.629 -13.551 3.861 1.00 52.51 H new ATOM 0 HB3 GLN A 38 -5.467 -14.277 5.447 1.00 52.51 H new ATOM 0 HG2 GLN A 38 -8.069 -13.703 3.966 1.00 52.33 H new ATOM 0 HG3 GLN A 38 -7.362 -15.277 4.269 1.00 52.33 H new ATOM 0 HE21 GLN A 38 -9.163 -12.576 5.665 1.00 2.33 H new ATOM 0 HE22 GLN A 38 -9.641 -13.405 7.149 1.00 2.33 H new ATOM 606 N ASP A 39 -4.296 -11.215 4.157 1.00 23.23 N ATOM 607 CA ASP A 39 -3.027 -10.488 3.888 1.00 1.21 C ATOM 608 C ASP A 39 -2.977 -9.183 4.680 1.00 72.21 C ATOM 609 O ASP A 39 -1.977 -8.883 5.313 1.00 31.35 O ATOM 610 CB ASP A 39 -2.855 -10.165 2.372 1.00 61.25 C ATOM 611 CG ASP A 39 -2.624 -11.415 1.522 1.00 21.25 C ATOM 612 OD1 ASP A 39 -3.613 -12.031 1.077 1.00 30.44 O ATOM 613 OD2 ASP A 39 -1.450 -11.801 1.309 1.00 43.41 O ATOM 0 H ASP A 39 -4.828 -11.431 3.314 1.00 23.23 H new ATOM 0 HA ASP A 39 -2.214 -11.143 4.200 1.00 1.21 H new ATOM 0 HB2 ASP A 39 -3.744 -9.646 2.013 1.00 61.25 H new ATOM 0 HB3 ASP A 39 -2.014 -9.483 2.244 1.00 61.25 H new ATOM 618 N ILE A 40 -4.096 -8.443 4.637 1.00 2.24 N ATOM 619 CA ILE A 40 -4.261 -7.136 5.297 1.00 45.32 C ATOM 620 C ILE A 40 -3.924 -7.193 6.800 1.00 60.45 C ATOM 621 O ILE A 40 -3.032 -6.476 7.258 1.00 51.12 O ATOM 622 CB ILE A 40 -5.727 -6.603 5.036 1.00 1.20 C ATOM 623 CG1 ILE A 40 -5.833 -6.098 3.560 1.00 31.52 C ATOM 624 CG2 ILE A 40 -6.182 -5.531 6.055 1.00 1.03 C ATOM 625 CD1 ILE A 40 -7.212 -5.695 3.105 1.00 64.22 C ATOM 0 H ILE A 40 -4.930 -8.742 4.132 1.00 2.24 H new ATOM 0 HA ILE A 40 -3.548 -6.434 4.864 1.00 45.32 H new ATOM 0 HB ILE A 40 -6.418 -7.433 5.183 1.00 1.20 H new ATOM 0 HG12 ILE A 40 -5.166 -5.244 3.439 1.00 31.52 H new ATOM 0 HG13 ILE A 40 -5.468 -6.884 2.899 1.00 31.52 H new ATOM 0 HG21 ILE A 40 -7.196 -5.210 5.817 1.00 1.03 H new ATOM 0 HG22 ILE A 40 -6.161 -5.952 7.060 1.00 1.03 H new ATOM 0 HG23 ILE A 40 -5.509 -4.675 6.007 1.00 1.03 H new ATOM 0 HD11 ILE A 40 -7.170 -5.362 2.068 1.00 64.22 H new ATOM 0 HD12 ILE A 40 -7.885 -6.548 3.185 1.00 64.22 H new ATOM 0 HD13 ILE A 40 -7.579 -4.883 3.733 1.00 64.22 H new ATOM 637 N ARG A 41 -4.604 -8.079 7.539 1.00 21.44 N ATOM 638 CA ARG A 41 -4.416 -8.229 9.000 1.00 52.10 C ATOM 639 C ARG A 41 -2.977 -8.660 9.324 1.00 72.15 C ATOM 640 O ARG A 41 -2.400 -8.199 10.296 1.00 71.14 O ATOM 641 CB ARG A 41 -5.447 -9.235 9.558 1.00 53.14 C ATOM 642 CG ARG A 41 -6.897 -8.772 9.339 1.00 71.52 C ATOM 643 CD ARG A 41 -7.941 -9.864 9.590 1.00 11.03 C ATOM 644 NE ARG A 41 -9.268 -9.411 9.140 1.00 41.40 N ATOM 645 CZ ARG A 41 -10.227 -10.181 8.627 1.00 75.12 C ATOM 646 NH1 ARG A 41 -10.053 -11.485 8.479 1.00 31.10 N ATOM 647 NH2 ARG A 41 -11.351 -9.623 8.227 1.00 31.24 N ATOM 0 H ARG A 41 -5.300 -8.714 7.148 1.00 21.44 H new ATOM 0 HA ARG A 41 -4.581 -7.265 9.481 1.00 52.10 H new ATOM 0 HB2 ARG A 41 -5.302 -10.203 9.079 1.00 53.14 H new ATOM 0 HB3 ARG A 41 -5.271 -9.377 10.624 1.00 53.14 H new ATOM 0 HG2 ARG A 41 -7.102 -7.928 9.998 1.00 71.52 H new ATOM 0 HG3 ARG A 41 -7.002 -8.410 8.316 1.00 71.52 H new ATOM 0 HD2 ARG A 41 -7.660 -10.774 9.060 1.00 11.03 H new ATOM 0 HD3 ARG A 41 -7.973 -10.110 10.651 1.00 11.03 H new ATOM 0 HE ARG A 41 -9.472 -8.416 9.229 1.00 41.40 H new ATOM 0 HH11 ARG A 41 -9.173 -11.917 8.760 1.00 31.10 H new ATOM 0 HH12 ARG A 41 -10.799 -12.058 8.084 1.00 31.10 H new ATOM 0 HH21 ARG A 41 -11.478 -8.615 8.312 1.00 31.24 H new ATOM 0 HH22 ARG A 41 -12.094 -10.199 7.832 1.00 31.24 H new ATOM 661 N ASP A 42 -2.412 -9.519 8.458 1.00 52.31 N ATOM 662 CA ASP A 42 -1.001 -9.948 8.525 1.00 2.52 C ATOM 663 C ASP A 42 -0.041 -8.729 8.413 1.00 54.34 C ATOM 664 O ASP A 42 0.971 -8.662 9.126 1.00 44.31 O ATOM 665 CB ASP A 42 -0.743 -10.986 7.393 1.00 12.12 C ATOM 666 CG ASP A 42 0.734 -11.360 7.198 1.00 64.15 C ATOM 667 OD1 ASP A 42 1.315 -12.003 8.093 1.00 62.52 O ATOM 668 OD2 ASP A 42 1.317 -11.025 6.138 1.00 3.14 O ATOM 0 H ASP A 42 -2.926 -9.940 7.684 1.00 52.31 H new ATOM 0 HA ASP A 42 -0.803 -10.414 9.490 1.00 2.52 H new ATOM 0 HB2 ASP A 42 -1.308 -11.892 7.612 1.00 12.12 H new ATOM 0 HB3 ASP A 42 -1.131 -10.587 6.456 1.00 12.12 H new ATOM 673 N ILE A 43 -0.397 -7.773 7.523 1.00 30.55 N ATOM 674 CA ILE A 43 0.373 -6.532 7.294 1.00 54.14 C ATOM 675 C ILE A 43 0.327 -5.643 8.551 1.00 13.24 C ATOM 676 O ILE A 43 1.365 -5.245 9.076 1.00 34.32 O ATOM 677 CB ILE A 43 -0.215 -5.737 6.056 1.00 72.41 C ATOM 678 CG1 ILE A 43 -0.060 -6.562 4.735 1.00 50.40 C ATOM 679 CG2 ILE A 43 0.418 -4.335 5.913 1.00 54.13 C ATOM 680 CD1 ILE A 43 -0.888 -6.059 3.560 1.00 22.31 C ATOM 0 H ILE A 43 -1.232 -7.844 6.941 1.00 30.55 H new ATOM 0 HA ILE A 43 1.408 -6.801 7.081 1.00 54.14 H new ATOM 0 HB ILE A 43 -1.279 -5.590 6.244 1.00 72.41 H new ATOM 0 HG12 ILE A 43 0.991 -6.562 4.446 1.00 50.40 H new ATOM 0 HG13 ILE A 43 -0.335 -7.597 4.937 1.00 50.40 H new ATOM 0 HG21 ILE A 43 -0.015 -3.826 5.052 1.00 54.13 H new ATOM 0 HG22 ILE A 43 0.222 -3.754 6.814 1.00 54.13 H new ATOM 0 HG23 ILE A 43 1.494 -4.434 5.772 1.00 54.13 H new ATOM 0 HD11 ILE A 43 -0.713 -6.695 2.692 1.00 22.31 H new ATOM 0 HD12 ILE A 43 -1.946 -6.086 3.822 1.00 22.31 H new ATOM 0 HD13 ILE A 43 -0.599 -5.035 3.323 1.00 22.31 H new ATOM 692 N ILE A 44 -0.906 -5.404 9.032 1.00 63.11 N ATOM 693 CA ILE A 44 -1.207 -4.485 10.142 1.00 20.21 C ATOM 694 C ILE A 44 -0.539 -4.958 11.447 1.00 61.51 C ATOM 695 O ILE A 44 0.040 -4.148 12.167 1.00 60.42 O ATOM 696 CB ILE A 44 -2.773 -4.340 10.301 1.00 43.14 C ATOM 697 CG1 ILE A 44 -3.381 -3.709 8.996 1.00 50.54 C ATOM 698 CG2 ILE A 44 -3.165 -3.526 11.563 1.00 15.43 C ATOM 699 CD1 ILE A 44 -4.897 -3.609 8.964 1.00 73.32 C ATOM 0 H ILE A 44 -1.738 -5.854 8.651 1.00 63.11 H new ATOM 0 HA ILE A 44 -0.794 -3.502 9.915 1.00 20.21 H new ATOM 0 HB ILE A 44 -3.193 -5.336 10.442 1.00 43.14 H new ATOM 0 HG12 ILE A 44 -2.965 -2.709 8.869 1.00 50.54 H new ATOM 0 HG13 ILE A 44 -3.055 -4.301 8.141 1.00 50.54 H new ATOM 0 HG21 ILE A 44 -4.251 -3.455 11.627 1.00 15.43 H new ATOM 0 HG22 ILE A 44 -2.781 -4.026 12.452 1.00 15.43 H new ATOM 0 HG23 ILE A 44 -2.739 -2.525 11.497 1.00 15.43 H new ATOM 0 HD11 ILE A 44 -5.212 -3.160 8.022 1.00 73.32 H new ATOM 0 HD12 ILE A 44 -5.329 -4.606 9.054 1.00 73.32 H new ATOM 0 HD13 ILE A 44 -5.238 -2.989 9.793 1.00 73.32 H new ATOM 711 N LYS A 45 -0.575 -6.283 11.693 1.00 22.11 N ATOM 712 CA LYS A 45 0.088 -6.918 12.853 1.00 1.13 C ATOM 713 C LYS A 45 1.611 -6.689 12.814 1.00 13.15 C ATOM 714 O LYS A 45 2.237 -6.438 13.853 1.00 22.11 O ATOM 715 CB LYS A 45 -0.232 -8.439 12.898 1.00 12.41 C ATOM 716 CG LYS A 45 -1.704 -8.751 13.239 1.00 61.32 C ATOM 717 CD LYS A 45 -2.048 -10.253 13.141 1.00 40.22 C ATOM 718 CE LYS A 45 -3.519 -10.537 13.472 1.00 11.40 C ATOM 719 NZ LYS A 45 -3.844 -11.982 13.403 1.00 25.24 N ATOM 0 H LYS A 45 -1.065 -6.946 11.092 1.00 22.11 H new ATOM 0 HA LYS A 45 -0.300 -6.453 13.759 1.00 1.13 H new ATOM 0 HB2 LYS A 45 0.010 -8.881 11.932 1.00 12.41 H new ATOM 0 HB3 LYS A 45 0.412 -8.916 13.637 1.00 12.41 H new ATOM 0 HG2 LYS A 45 -1.918 -8.401 14.249 1.00 61.32 H new ATOM 0 HG3 LYS A 45 -2.352 -8.192 12.564 1.00 61.32 H new ATOM 0 HD2 LYS A 45 -1.829 -10.608 12.134 1.00 40.22 H new ATOM 0 HD3 LYS A 45 -1.410 -10.815 13.823 1.00 40.22 H new ATOM 0 HE2 LYS A 45 -3.742 -10.164 14.472 1.00 11.40 H new ATOM 0 HE3 LYS A 45 -4.157 -9.990 12.778 1.00 11.40 H new ATOM 0 HZ1 LYS A 45 -4.848 -12.123 13.634 1.00 25.24 H new ATOM 0 HZ2 LYS A 45 -3.657 -12.334 12.443 1.00 25.24 H new ATOM 0 HZ3 LYS A 45 -3.255 -12.503 14.084 1.00 25.24 H new ATOM 733 N SER A 46 2.191 -6.749 11.598 1.00 53.54 N ATOM 734 CA SER A 46 3.628 -6.535 11.385 1.00 10.41 C ATOM 735 C SER A 46 3.990 -5.044 11.498 1.00 45.41 C ATOM 736 O SER A 46 5.118 -4.715 11.846 1.00 20.31 O ATOM 737 CB SER A 46 4.039 -7.102 10.009 1.00 44.31 C ATOM 738 OG SER A 46 5.436 -6.988 9.786 1.00 22.12 O ATOM 0 H SER A 46 1.674 -6.947 10.741 1.00 53.54 H new ATOM 0 HA SER A 46 4.180 -7.063 12.163 1.00 10.41 H new ATOM 0 HB2 SER A 46 3.745 -8.150 9.946 1.00 44.31 H new ATOM 0 HB3 SER A 46 3.501 -6.572 9.223 1.00 44.31 H new ATOM 0 HG SER A 46 5.658 -7.358 8.906 1.00 22.12 H new ATOM 744 N MET A 47 3.021 -4.154 11.202 1.00 72.31 N ATOM 745 CA MET A 47 3.194 -2.693 11.362 1.00 4.33 C ATOM 746 C MET A 47 3.227 -2.308 12.849 1.00 14.13 C ATOM 747 O MET A 47 3.789 -1.275 13.216 1.00 23.03 O ATOM 748 CB MET A 47 2.064 -1.911 10.638 1.00 62.22 C ATOM 749 CG MET A 47 2.054 -2.094 9.115 1.00 52.42 C ATOM 750 SD MET A 47 3.620 -1.633 8.343 1.00 22.25 S ATOM 751 CE MET A 47 3.712 0.120 8.705 1.00 62.21 C ATOM 0 H MET A 47 2.103 -4.423 10.848 1.00 72.31 H new ATOM 0 HA MET A 47 4.147 -2.423 10.906 1.00 4.33 H new ATOM 0 HB2 MET A 47 1.102 -2.230 11.038 1.00 62.22 H new ATOM 0 HB3 MET A 47 2.168 -0.850 10.865 1.00 62.22 H new ATOM 0 HG2 MET A 47 1.831 -3.135 8.880 1.00 52.42 H new ATOM 0 HG3 MET A 47 1.252 -1.492 8.687 1.00 52.42 H new ATOM 0 HE1 MET A 47 4.278 0.624 7.922 1.00 62.21 H new ATOM 0 HE2 MET A 47 2.705 0.536 8.750 1.00 62.21 H new ATOM 0 HE3 MET A 47 4.208 0.268 9.664 1.00 62.21 H new ATOM 761 N LYS A 48 2.601 -3.144 13.698 1.00 12.11 N ATOM 762 CA LYS A 48 2.588 -2.938 15.157 1.00 31.21 C ATOM 763 C LYS A 48 3.927 -3.382 15.767 1.00 70.00 C ATOM 764 O LYS A 48 4.392 -2.813 16.755 1.00 2.41 O ATOM 765 CB LYS A 48 1.438 -3.732 15.813 1.00 64.25 C ATOM 766 CG LYS A 48 0.036 -3.463 15.223 1.00 11.41 C ATOM 767 CD LYS A 48 -1.079 -4.192 16.002 1.00 24.42 C ATOM 768 CE LYS A 48 -1.240 -3.657 17.438 1.00 51.12 C ATOM 769 NZ LYS A 48 -2.166 -4.487 18.242 1.00 43.25 N ATOM 0 H LYS A 48 2.094 -3.975 13.394 1.00 12.11 H new ATOM 0 HA LYS A 48 2.436 -1.875 15.347 1.00 31.21 H new ATOM 0 HB2 LYS A 48 1.655 -4.796 15.723 1.00 64.25 H new ATOM 0 HB3 LYS A 48 1.418 -3.499 16.878 1.00 64.25 H new ATOM 0 HG2 LYS A 48 -0.160 -2.391 15.232 1.00 11.41 H new ATOM 0 HG3 LYS A 48 0.016 -3.782 14.181 1.00 11.41 H new ATOM 0 HD2 LYS A 48 -2.023 -4.081 15.468 1.00 24.42 H new ATOM 0 HD3 LYS A 48 -0.856 -5.258 16.038 1.00 24.42 H new ATOM 0 HE2 LYS A 48 -0.265 -3.628 17.925 1.00 51.12 H new ATOM 0 HE3 LYS A 48 -1.610 -2.632 17.403 1.00 51.12 H new ATOM 0 HZ1 LYS A 48 -2.324 -4.036 19.166 1.00 43.25 H new ATOM 0 HZ2 LYS A 48 -3.073 -4.579 17.742 1.00 43.25 H new ATOM 0 HZ3 LYS A 48 -1.752 -5.430 18.384 1.00 43.25 H new ATOM 816 N LYS A 52 7.898 1.449 11.032 1.00 53.23 N ATOM 817 CA LYS A 52 8.515 1.703 9.697 1.00 71.34 C ATOM 818 C LYS A 52 7.508 2.281 8.655 1.00 3.12 C ATOM 819 O LYS A 52 6.287 2.262 8.876 1.00 53.42 O ATOM 820 CB LYS A 52 9.211 0.405 9.144 1.00 41.34 C ATOM 821 CG LYS A 52 10.340 -0.156 10.033 1.00 15.12 C ATOM 822 CD LYS A 52 11.510 0.841 10.231 1.00 45.42 C ATOM 823 CE LYS A 52 12.584 0.281 11.171 1.00 72.52 C ATOM 824 NZ LYS A 52 13.723 1.214 11.347 1.00 64.13 N ATOM 0 HA LYS A 52 9.273 2.471 9.851 1.00 71.34 H new ATOM 0 HB2 LYS A 52 8.454 -0.368 9.013 1.00 41.34 H new ATOM 0 HB3 LYS A 52 9.619 0.622 8.157 1.00 41.34 H new ATOM 0 HG2 LYS A 52 9.929 -0.423 11.007 1.00 15.12 H new ATOM 0 HG3 LYS A 52 10.724 -1.073 9.587 1.00 15.12 H new ATOM 0 HD2 LYS A 52 11.958 1.072 9.264 1.00 45.42 H new ATOM 0 HD3 LYS A 52 11.125 1.777 10.636 1.00 45.42 H new ATOM 0 HE2 LYS A 52 12.138 0.069 12.143 1.00 72.52 H new ATOM 0 HE3 LYS A 52 12.951 -0.666 10.776 1.00 72.52 H new ATOM 0 HZ1 LYS A 52 14.422 0.791 11.990 1.00 64.13 H new ATOM 0 HZ2 LYS A 52 14.167 1.397 10.425 1.00 64.13 H new ATOM 0 HZ3 LYS A 52 13.379 2.109 11.750 1.00 64.13 H new ATOM 838 N PRO A 53 8.018 2.874 7.519 1.00 44.54 N ATOM 839 CA PRO A 53 7.188 3.140 6.333 1.00 24.15 C ATOM 840 C PRO A 53 6.996 1.863 5.487 1.00 20.43 C ATOM 841 O PRO A 53 7.962 1.152 5.178 1.00 63.34 O ATOM 842 CB PRO A 53 8.003 4.213 5.569 1.00 41.11 C ATOM 843 CG PRO A 53 9.427 3.880 5.890 1.00 1.05 C ATOM 844 CD PRO A 53 9.413 3.383 7.327 1.00 2.44 C ATOM 0 HA PRO A 53 6.179 3.469 6.579 1.00 24.15 H new ATOM 0 HB2 PRO A 53 7.815 4.169 4.496 1.00 41.11 H new ATOM 0 HB3 PRO A 53 7.744 5.220 5.897 1.00 41.11 H new ATOM 0 HG2 PRO A 53 9.814 3.117 5.214 1.00 1.05 H new ATOM 0 HG3 PRO A 53 10.068 4.755 5.783 1.00 1.05 H new ATOM 0 HD2 PRO A 53 10.151 2.596 7.485 1.00 2.44 H new ATOM 0 HD3 PRO A 53 9.646 4.184 8.029 1.00 2.44 H new ATOM 852 N LEU A 54 5.747 1.561 5.147 1.00 32.24 N ATOM 853 CA LEU A 54 5.402 0.428 4.282 1.00 31.10 C ATOM 854 C LEU A 54 4.581 0.938 3.096 1.00 53.11 C ATOM 855 O LEU A 54 4.122 2.078 3.100 1.00 21.40 O ATOM 856 CB LEU A 54 4.626 -0.651 5.095 1.00 53.34 C ATOM 857 CG LEU A 54 4.663 -2.097 4.506 1.00 63.35 C ATOM 858 CD1 LEU A 54 6.111 -2.621 4.459 1.00 74.00 C ATOM 859 CD2 LEU A 54 3.747 -3.056 5.281 1.00 11.12 C ATOM 0 H LEU A 54 4.938 2.096 5.463 1.00 32.24 H new ATOM 0 HA LEU A 54 6.309 -0.041 3.900 1.00 31.10 H new ATOM 0 HB2 LEU A 54 5.032 -0.680 6.106 1.00 53.34 H new ATOM 0 HB3 LEU A 54 3.585 -0.338 5.178 1.00 53.34 H new ATOM 0 HG LEU A 54 4.280 -2.051 3.487 1.00 63.35 H new ATOM 0 HD11 LEU A 54 6.120 -3.630 4.046 1.00 74.00 H new ATOM 0 HD12 LEU A 54 6.715 -1.966 3.830 1.00 74.00 H new ATOM 0 HD13 LEU A 54 6.525 -2.638 5.467 1.00 74.00 H new ATOM 0 HD21 LEU A 54 3.803 -4.050 4.838 1.00 11.12 H new ATOM 0 HD22 LEU A 54 4.067 -3.104 6.322 1.00 11.12 H new ATOM 0 HD23 LEU A 54 2.719 -2.695 5.234 1.00 11.12 H new ATOM 871 N VAL A 55 4.382 0.079 2.089 1.00 52.52 N ATOM 872 CA VAL A 55 3.613 0.401 0.880 1.00 51.32 C ATOM 873 C VAL A 55 2.797 -0.843 0.527 1.00 73.12 C ATOM 874 O VAL A 55 3.372 -1.908 0.294 1.00 10.12 O ATOM 875 CB VAL A 55 4.511 0.807 -0.349 1.00 51.51 C ATOM 876 CG1 VAL A 55 3.634 1.141 -1.580 1.00 54.15 C ATOM 877 CG2 VAL A 55 5.458 1.985 -0.013 1.00 21.33 C ATOM 0 H VAL A 55 4.755 -0.870 2.090 1.00 52.52 H new ATOM 0 HA VAL A 55 2.987 1.268 1.090 1.00 51.32 H new ATOM 0 HB VAL A 55 5.138 -0.051 -0.590 1.00 51.51 H new ATOM 0 HG11 VAL A 55 4.274 1.419 -2.418 1.00 54.15 H new ATOM 0 HG12 VAL A 55 3.040 0.268 -1.851 1.00 54.15 H new ATOM 0 HG13 VAL A 55 2.970 1.971 -1.339 1.00 54.15 H new ATOM 0 HG21 VAL A 55 6.058 2.231 -0.889 1.00 21.33 H new ATOM 0 HG22 VAL A 55 4.868 2.854 0.279 1.00 21.33 H new ATOM 0 HG23 VAL A 55 6.115 1.700 0.809 1.00 21.33 H new ATOM 887 N VAL A 56 1.460 -0.717 0.528 1.00 1.11 N ATOM 888 CA VAL A 56 0.544 -1.830 0.229 1.00 21.32 C ATOM 889 C VAL A 56 -0.292 -1.504 -1.018 1.00 34.41 C ATOM 890 O VAL A 56 -1.090 -0.568 -1.017 1.00 3.34 O ATOM 891 CB VAL A 56 -0.382 -2.170 1.454 1.00 73.10 C ATOM 892 CG1 VAL A 56 -1.414 -3.273 1.099 1.00 44.23 C ATOM 893 CG2 VAL A 56 0.465 -2.587 2.682 1.00 23.44 C ATOM 0 H VAL A 56 0.983 0.160 0.736 1.00 1.11 H new ATOM 0 HA VAL A 56 1.146 -2.716 0.028 1.00 21.32 H new ATOM 0 HB VAL A 56 -0.938 -1.267 1.708 1.00 73.10 H new ATOM 0 HG11 VAL A 56 -2.037 -3.482 1.969 1.00 44.23 H new ATOM 0 HG12 VAL A 56 -2.043 -2.932 0.276 1.00 44.23 H new ATOM 0 HG13 VAL A 56 -0.889 -4.181 0.802 1.00 44.23 H new ATOM 0 HG21 VAL A 56 -0.195 -2.818 3.518 1.00 23.44 H new ATOM 0 HG22 VAL A 56 1.057 -3.468 2.433 1.00 23.44 H new ATOM 0 HG23 VAL A 56 1.130 -1.769 2.960 1.00 23.44 H new ATOM 903 N PHE A 57 -0.080 -2.297 -2.075 1.00 43.00 N ATOM 904 CA PHE A 57 -0.817 -2.211 -3.337 1.00 12.34 C ATOM 905 C PHE A 57 -2.070 -3.084 -3.239 1.00 73.35 C ATOM 906 O PHE A 57 -1.971 -4.273 -2.901 1.00 2.02 O ATOM 907 CB PHE A 57 0.074 -2.704 -4.503 1.00 60.55 C ATOM 908 CG PHE A 57 1.299 -1.834 -4.784 1.00 12.13 C ATOM 909 CD1 PHE A 57 2.486 -1.996 -4.064 1.00 44.02 C ATOM 910 CD2 PHE A 57 1.256 -0.845 -5.763 1.00 34.31 C ATOM 911 CE1 PHE A 57 3.585 -1.197 -4.325 1.00 13.05 C ATOM 912 CE2 PHE A 57 2.353 -0.053 -6.014 1.00 55.15 C ATOM 913 CZ PHE A 57 3.517 -0.227 -5.296 1.00 71.33 C ATOM 0 H PHE A 57 0.626 -3.033 -2.074 1.00 43.00 H new ATOM 0 HA PHE A 57 -1.101 -1.176 -3.526 1.00 12.34 H new ATOM 0 HB2 PHE A 57 0.408 -3.718 -4.283 1.00 60.55 H new ATOM 0 HB3 PHE A 57 -0.532 -2.757 -5.408 1.00 60.55 H new ATOM 0 HD1 PHE A 57 2.546 -2.753 -3.296 1.00 44.02 H new ATOM 0 HD2 PHE A 57 0.350 -0.698 -6.333 1.00 34.31 H new ATOM 0 HE1 PHE A 57 4.498 -1.336 -3.765 1.00 13.05 H new ATOM 0 HE2 PHE A 57 2.302 0.709 -6.778 1.00 55.15 H new ATOM 0 HZ PHE A 57 4.374 0.398 -5.496 1.00 71.33 H new ATOM 923 N VAL A 58 -3.242 -2.498 -3.519 1.00 72.35 N ATOM 924 CA VAL A 58 -4.518 -3.225 -3.518 1.00 43.44 C ATOM 925 C VAL A 58 -4.624 -4.052 -4.817 1.00 12.51 C ATOM 926 O VAL A 58 -5.159 -3.596 -5.832 1.00 3.23 O ATOM 927 CB VAL A 58 -5.734 -2.231 -3.350 1.00 75.43 C ATOM 928 CG1 VAL A 58 -7.096 -2.963 -3.419 1.00 64.21 C ATOM 929 CG2 VAL A 58 -5.602 -1.434 -2.028 1.00 21.41 C ATOM 0 H VAL A 58 -3.332 -1.509 -3.752 1.00 72.35 H new ATOM 0 HA VAL A 58 -4.553 -3.905 -2.667 1.00 43.44 H new ATOM 0 HB VAL A 58 -5.704 -1.532 -4.186 1.00 75.43 H new ATOM 0 HG11 VAL A 58 -7.904 -2.241 -3.299 1.00 64.21 H new ATOM 0 HG12 VAL A 58 -7.194 -3.459 -4.384 1.00 64.21 H new ATOM 0 HG13 VAL A 58 -7.151 -3.705 -2.622 1.00 64.21 H new ATOM 0 HG21 VAL A 58 -6.448 -0.754 -1.927 1.00 21.41 H new ATOM 0 HG22 VAL A 58 -5.591 -2.126 -1.186 1.00 21.41 H new ATOM 0 HG23 VAL A 58 -4.675 -0.861 -2.040 1.00 21.41 H new ATOM 939 N ASN A 59 -4.033 -5.251 -4.786 1.00 55.13 N ATOM 940 CA ASN A 59 -3.980 -6.163 -5.930 1.00 13.42 C ATOM 941 C ASN A 59 -4.826 -7.409 -5.633 1.00 35.33 C ATOM 942 O ASN A 59 -4.351 -8.344 -4.990 1.00 74.32 O ATOM 943 CB ASN A 59 -2.498 -6.549 -6.207 1.00 24.41 C ATOM 944 CG ASN A 59 -2.320 -7.448 -7.432 1.00 44.15 C ATOM 945 OD1 ASN A 59 -3.024 -7.307 -8.430 1.00 54.41 O ATOM 946 ND2 ASN A 59 -1.395 -8.397 -7.362 1.00 31.22 N ATOM 0 H ASN A 59 -3.572 -5.619 -3.954 1.00 55.13 H new ATOM 0 HA ASN A 59 -4.386 -5.677 -6.817 1.00 13.42 H new ATOM 0 HB2 ASN A 59 -1.914 -5.639 -6.346 1.00 24.41 H new ATOM 0 HB3 ASN A 59 -2.093 -7.057 -5.332 1.00 24.41 H new ATOM 0 HD21 ASN A 59 -1.255 -9.031 -8.148 1.00 31.22 H new ATOM 0 HD22 ASN A 59 -0.824 -8.492 -6.522 1.00 31.22 H new ATOM 953 N GLY A 60 -6.099 -7.380 -6.056 1.00 71.55 N ATOM 954 CA GLY A 60 -7.028 -8.499 -5.864 1.00 50.31 C ATOM 955 C GLY A 60 -8.009 -8.263 -4.723 1.00 62.23 C ATOM 956 O GLY A 60 -9.091 -8.866 -4.697 1.00 42.20 O ATOM 0 H GLY A 60 -6.510 -6.582 -6.539 1.00 71.55 H new ATOM 0 HA2 GLY A 60 -7.584 -8.666 -6.786 1.00 50.31 H new ATOM 0 HA3 GLY A 60 -6.459 -9.408 -5.666 1.00 50.31 H new ATOM 960 N ALA A 61 -7.622 -7.396 -3.762 1.00 63.01 N ATOM 961 CA ALA A 61 -8.486 -7.012 -2.633 1.00 74.35 C ATOM 962 C ALA A 61 -9.639 -6.126 -3.136 1.00 61.32 C ATOM 963 O ALA A 61 -9.404 -5.160 -3.871 1.00 70.02 O ATOM 964 CB ALA A 61 -7.668 -6.286 -1.547 1.00 71.35 C ATOM 0 H ALA A 61 -6.706 -6.947 -3.750 1.00 63.01 H new ATOM 0 HA ALA A 61 -8.908 -7.913 -2.187 1.00 74.35 H new ATOM 0 HB1 ALA A 61 -8.324 -6.010 -0.721 1.00 71.35 H new ATOM 0 HB2 ALA A 61 -6.882 -6.947 -1.181 1.00 71.35 H new ATOM 0 HB3 ALA A 61 -7.219 -5.387 -1.970 1.00 71.35 H new ATOM 970 N SER A 62 -10.869 -6.479 -2.747 1.00 63.24 N ATOM 971 CA SER A 62 -12.089 -5.734 -3.114 1.00 40.01 C ATOM 972 C SER A 62 -12.234 -4.494 -2.211 1.00 14.24 C ATOM 973 O SER A 62 -11.506 -4.366 -1.219 1.00 3.33 O ATOM 974 CB SER A 62 -13.312 -6.675 -2.978 1.00 43.31 C ATOM 975 OG SER A 62 -13.102 -7.874 -3.708 1.00 20.41 O ATOM 0 H SER A 62 -11.052 -7.296 -2.164 1.00 63.24 H new ATOM 0 HA SER A 62 -12.025 -5.390 -4.146 1.00 40.01 H new ATOM 0 HB2 SER A 62 -13.484 -6.908 -1.927 1.00 43.31 H new ATOM 0 HB3 SER A 62 -14.207 -6.172 -3.344 1.00 43.31 H new ATOM 0 HG SER A 62 -13.883 -8.458 -3.610 1.00 20.41 H new ATOM 981 N GLN A 63 -13.178 -3.587 -2.560 1.00 3.54 N ATOM 982 CA GLN A 63 -13.490 -2.383 -1.752 1.00 45.34 C ATOM 983 C GLN A 63 -13.909 -2.778 -0.314 1.00 4.34 C ATOM 984 O GLN A 63 -13.667 -2.032 0.636 1.00 55.32 O ATOM 985 CB GLN A 63 -14.602 -1.536 -2.447 1.00 61.22 C ATOM 986 CG GLN A 63 -15.027 -0.249 -1.691 1.00 41.22 C ATOM 987 CD GLN A 63 -13.889 0.769 -1.497 1.00 52.25 C ATOM 988 OE1 GLN A 63 -13.662 1.632 -2.344 1.00 4.41 O ATOM 989 NE2 GLN A 63 -13.188 0.699 -0.374 1.00 51.42 N ATOM 0 H GLN A 63 -13.742 -3.669 -3.406 1.00 3.54 H new ATOM 0 HA GLN A 63 -12.590 -1.772 -1.680 1.00 45.34 H new ATOM 0 HB2 GLN A 63 -14.254 -1.255 -3.441 1.00 61.22 H new ATOM 0 HB3 GLN A 63 -15.482 -2.164 -2.584 1.00 61.22 H new ATOM 0 HG2 GLN A 63 -15.839 0.230 -2.238 1.00 41.22 H new ATOM 0 HG3 GLN A 63 -15.422 -0.528 -0.714 1.00 41.22 H new ATOM 0 HE21 GLN A 63 -13.396 -0.026 0.313 1.00 51.42 H new ATOM 0 HE22 GLN A 63 -12.441 1.370 -0.197 1.00 51.42 H new ATOM 998 N ASN A 64 -14.524 -3.975 -0.197 1.00 13.33 N ATOM 999 CA ASN A 64 -14.826 -4.643 1.086 1.00 4.04 C ATOM 1000 C ASN A 64 -13.570 -4.691 1.971 1.00 73.33 C ATOM 1001 O ASN A 64 -13.564 -4.178 3.088 1.00 41.03 O ATOM 1002 CB ASN A 64 -15.320 -6.100 0.835 1.00 60.31 C ATOM 1003 CG ASN A 64 -16.592 -6.203 -0.004 1.00 5.01 C ATOM 1004 OD1 ASN A 64 -16.855 -5.384 -0.885 1.00 42.41 O ATOM 1005 ND2 ASN A 64 -17.391 -7.230 0.253 1.00 51.00 N ATOM 0 H ASN A 64 -14.830 -4.513 -1.008 1.00 13.33 H new ATOM 0 HA ASN A 64 -15.607 -4.073 1.589 1.00 4.04 H new ATOM 0 HB2 ASN A 64 -14.526 -6.659 0.339 1.00 60.31 H new ATOM 0 HB3 ASN A 64 -15.495 -6.582 1.797 1.00 60.31 H new ATOM 0 HD21 ASN A 64 -18.248 -7.356 -0.285 1.00 51.00 H new ATOM 0 HD22 ASN A 64 -17.148 -7.893 0.989 1.00 51.00 H new ATOM 1012 N ASP A 65 -12.493 -5.236 1.378 1.00 11.52 N ATOM 1013 CA ASP A 65 -11.213 -5.500 2.062 1.00 64.40 C ATOM 1014 C ASP A 65 -10.466 -4.192 2.334 1.00 0.04 C ATOM 1015 O ASP A 65 -9.799 -4.058 3.354 1.00 41.14 O ATOM 1016 CB ASP A 65 -10.316 -6.441 1.221 1.00 10.23 C ATOM 1017 CG ASP A 65 -11.002 -7.765 0.884 1.00 61.51 C ATOM 1018 OD1 ASP A 65 -11.753 -7.817 -0.117 1.00 34.44 O ATOM 1019 OD2 ASP A 65 -10.818 -8.763 1.614 1.00 62.21 O ATOM 0 H ASP A 65 -12.487 -5.510 0.395 1.00 11.52 H new ATOM 0 HA ASP A 65 -11.441 -5.987 3.010 1.00 64.40 H new ATOM 0 HB2 ASP A 65 -10.034 -5.937 0.297 1.00 10.23 H new ATOM 0 HB3 ASP A 65 -9.395 -6.643 1.768 1.00 10.23 H new ATOM 1024 N VAL A 66 -10.600 -3.226 1.399 1.00 25.24 N ATOM 1025 CA VAL A 66 -9.967 -1.896 1.509 1.00 20.35 C ATOM 1026 C VAL A 66 -10.499 -1.162 2.754 1.00 54.15 C ATOM 1027 O VAL A 66 -9.736 -0.541 3.495 1.00 24.01 O ATOM 1028 CB VAL A 66 -10.224 -1.030 0.215 1.00 43.25 C ATOM 1029 CG1 VAL A 66 -9.676 0.412 0.362 1.00 73.00 C ATOM 1030 CG2 VAL A 66 -9.625 -1.725 -1.034 1.00 5.21 C ATOM 0 H VAL A 66 -11.150 -3.347 0.548 1.00 25.24 H new ATOM 0 HA VAL A 66 -8.891 -2.039 1.608 1.00 20.35 H new ATOM 0 HB VAL A 66 -11.303 -0.950 0.085 1.00 43.25 H new ATOM 0 HG11 VAL A 66 -9.875 0.972 -0.552 1.00 73.00 H new ATOM 0 HG12 VAL A 66 -10.166 0.904 1.203 1.00 73.00 H new ATOM 0 HG13 VAL A 66 -8.601 0.376 0.539 1.00 73.00 H new ATOM 0 HG21 VAL A 66 -9.812 -1.113 -1.916 1.00 5.21 H new ATOM 0 HG22 VAL A 66 -8.550 -1.850 -0.901 1.00 5.21 H new ATOM 0 HG23 VAL A 66 -10.090 -2.702 -1.165 1.00 5.21 H new ATOM 1040 N ASN A 67 -11.817 -1.277 2.976 1.00 13.31 N ATOM 1041 CA ASN A 67 -12.495 -0.688 4.147 1.00 25.55 C ATOM 1042 C ASN A 67 -12.098 -1.428 5.441 1.00 31.54 C ATOM 1043 O ASN A 67 -12.002 -0.805 6.502 1.00 74.13 O ATOM 1044 CB ASN A 67 -14.033 -0.705 3.944 1.00 22.31 C ATOM 1045 CG ASN A 67 -14.489 0.188 2.782 1.00 45.11 C ATOM 1046 OD1 ASN A 67 -13.886 1.225 2.492 1.00 50.15 O ATOM 1047 ND2 ASN A 67 -15.555 -0.208 2.107 1.00 24.33 N ATOM 0 H ASN A 67 -12.446 -1.781 2.350 1.00 13.31 H new ATOM 0 HA ASN A 67 -12.175 0.349 4.247 1.00 25.55 H new ATOM 0 HB2 ASN A 67 -14.359 -1.729 3.759 1.00 22.31 H new ATOM 0 HB3 ASN A 67 -14.520 -0.376 4.862 1.00 22.31 H new ATOM 0 HD21 ASN A 67 -15.899 0.348 1.324 1.00 24.33 H new ATOM 0 HD22 ASN A 67 -16.034 -1.070 2.369 1.00 24.33 H new ATOM 1054 N GLU A 68 -11.868 -2.759 5.330 1.00 64.50 N ATOM 1055 CA GLU A 68 -11.373 -3.597 6.450 1.00 24.44 C ATOM 1056 C GLU A 68 -9.954 -3.176 6.851 1.00 74.33 C ATOM 1057 O GLU A 68 -9.630 -3.148 8.035 1.00 23.12 O ATOM 1058 CB GLU A 68 -11.413 -5.108 6.076 1.00 51.44 C ATOM 1059 CG GLU A 68 -12.831 -5.632 5.812 1.00 60.52 C ATOM 1060 CD GLU A 68 -12.888 -7.111 5.405 1.00 2.01 C ATOM 1061 OE1 GLU A 68 -12.740 -7.984 6.291 1.00 30.24 O ATOM 1062 OE2 GLU A 68 -13.130 -7.413 4.214 1.00 54.42 O ATOM 0 H GLU A 68 -12.019 -3.280 4.466 1.00 64.50 H new ATOM 0 HA GLU A 68 -12.032 -3.444 7.304 1.00 24.44 H new ATOM 0 HB2 GLU A 68 -10.802 -5.271 5.188 1.00 51.44 H new ATOM 0 HB3 GLU A 68 -10.964 -5.687 6.883 1.00 51.44 H new ATOM 0 HG2 GLU A 68 -13.432 -5.490 6.710 1.00 60.52 H new ATOM 0 HG3 GLU A 68 -13.288 -5.032 5.025 1.00 60.52 H new ATOM 1069 N PHE A 69 -9.135 -2.815 5.837 1.00 54.52 N ATOM 1070 CA PHE A 69 -7.767 -2.318 6.034 1.00 32.04 C ATOM 1071 C PHE A 69 -7.804 -1.038 6.863 1.00 12.32 C ATOM 1072 O PHE A 69 -7.098 -0.928 7.849 1.00 51.22 O ATOM 1073 CB PHE A 69 -7.065 -2.067 4.663 1.00 22.11 C ATOM 1074 CG PHE A 69 -5.610 -1.584 4.759 1.00 22.41 C ATOM 1075 CD1 PHE A 69 -4.554 -2.497 4.806 1.00 12.21 C ATOM 1076 CD2 PHE A 69 -5.295 -0.220 4.806 1.00 64.14 C ATOM 1077 CE1 PHE A 69 -3.240 -2.070 4.889 1.00 54.13 C ATOM 1078 CE2 PHE A 69 -3.983 0.203 4.890 1.00 2.12 C ATOM 1079 CZ PHE A 69 -2.957 -0.719 4.935 1.00 61.34 C ATOM 0 H PHE A 69 -9.412 -2.863 4.857 1.00 54.52 H new ATOM 0 HA PHE A 69 -7.190 -3.072 6.569 1.00 32.04 H new ATOM 0 HB2 PHE A 69 -7.088 -2.991 4.085 1.00 22.11 H new ATOM 0 HB3 PHE A 69 -7.642 -1.328 4.106 1.00 22.11 H new ATOM 0 HD1 PHE A 69 -4.767 -3.555 4.777 1.00 12.21 H new ATOM 0 HD2 PHE A 69 -6.089 0.511 4.776 1.00 64.14 H new ATOM 0 HE1 PHE A 69 -2.437 -2.792 4.918 1.00 54.13 H new ATOM 0 HE2 PHE A 69 -3.759 1.259 4.921 1.00 2.12 H new ATOM 0 HZ PHE A 69 -1.933 -0.384 5.006 1.00 61.34 H new ATOM 1089 N GLN A 70 -8.637 -0.083 6.416 1.00 3.21 N ATOM 1090 CA GLN A 70 -8.796 1.230 7.056 1.00 54.40 C ATOM 1091 C GLN A 70 -9.281 1.121 8.522 1.00 1.21 C ATOM 1092 O GLN A 70 -8.760 1.822 9.395 1.00 23.34 O ATOM 1093 CB GLN A 70 -9.757 2.102 6.208 1.00 62.15 C ATOM 1094 CG GLN A 70 -9.256 2.336 4.764 1.00 63.15 C ATOM 1095 CD GLN A 70 -10.143 3.255 3.927 1.00 14.54 C ATOM 1096 OE1 GLN A 70 -10.182 3.029 2.624 1.00 31.35 O flip ATOM 1097 NE2 GLN A 70 -10.784 4.167 4.445 1.00 43.31 N flip ATOM 0 H GLN A 70 -9.224 -0.204 5.591 1.00 3.21 H new ATOM 0 HA GLN A 70 -7.817 1.707 7.098 1.00 54.40 H new ATOM 0 HB2 GLN A 70 -10.736 1.623 6.173 1.00 62.15 H new ATOM 0 HB3 GLN A 70 -9.891 3.066 6.699 1.00 62.15 H new ATOM 0 HG2 GLN A 70 -8.252 2.759 4.805 1.00 63.15 H new ATOM 0 HG3 GLN A 70 -9.175 1.373 4.260 1.00 63.15 H new ATOM 0 HE21 GLN A 70 -10.734 4.317 5.453 1.00 43.31 H new ATOM 0 HE22 GLN A 70 -11.366 4.774 3.867 1.00 43.31 H new ATOM 1106 N ASN A 71 -10.267 0.232 8.777 1.00 1.12 N ATOM 1107 CA ASN A 71 -10.821 -0.002 10.136 1.00 32.11 C ATOM 1108 C ASN A 71 -9.755 -0.611 11.064 1.00 32.12 C ATOM 1109 O ASN A 71 -9.390 -0.025 12.099 1.00 32.10 O ATOM 1110 CB ASN A 71 -12.071 -0.939 10.079 1.00 63.35 C ATOM 1111 CG ASN A 71 -13.290 -0.285 9.428 1.00 21.31 C ATOM 1112 OD1 ASN A 71 -13.507 0.922 9.548 1.00 61.30 O ATOM 1113 ND2 ASN A 71 -14.092 -1.069 8.731 1.00 33.11 N ATOM 0 H ASN A 71 -10.701 -0.342 8.054 1.00 1.12 H new ATOM 0 HA ASN A 71 -11.128 0.964 10.537 1.00 32.11 H new ATOM 0 HB2 ASN A 71 -11.814 -1.842 9.526 1.00 63.35 H new ATOM 0 HB3 ASN A 71 -12.331 -1.248 11.091 1.00 63.35 H new ATOM 0 HD21 ASN A 71 -14.916 -0.679 8.275 1.00 33.11 H new ATOM 0 HD22 ASN A 71 -13.887 -2.065 8.649 1.00 33.11 H new ATOM 1120 N GLU A 72 -9.272 -1.796 10.677 1.00 43.35 N ATOM 1121 CA GLU A 72 -8.300 -2.569 11.466 1.00 2.44 C ATOM 1122 C GLU A 72 -6.936 -1.872 11.597 1.00 63.41 C ATOM 1123 O GLU A 72 -6.198 -2.170 12.523 1.00 25.11 O ATOM 1124 CB GLU A 72 -8.180 -4.004 10.894 1.00 20.11 C ATOM 1125 CG GLU A 72 -9.547 -4.716 10.809 1.00 40.33 C ATOM 1126 CD GLU A 72 -9.484 -6.146 10.260 1.00 41.42 C ATOM 1127 OE1 GLU A 72 -9.368 -6.314 9.026 1.00 35.42 O ATOM 1128 OE2 GLU A 72 -9.592 -7.112 11.054 1.00 43.24 O ATOM 0 H GLU A 72 -9.544 -2.250 9.805 1.00 43.35 H new ATOM 0 HA GLU A 72 -8.678 -2.634 12.486 1.00 2.44 H new ATOM 0 HB2 GLU A 72 -7.733 -3.961 9.901 1.00 20.11 H new ATOM 0 HB3 GLU A 72 -7.507 -4.588 11.522 1.00 20.11 H new ATOM 0 HG2 GLU A 72 -9.992 -4.741 11.804 1.00 40.33 H new ATOM 0 HG3 GLU A 72 -10.211 -4.126 10.177 1.00 40.33 H new ATOM 1135 N ALA A 73 -6.594 -0.961 10.671 1.00 73.14 N ATOM 1136 CA ALA A 73 -5.404 -0.102 10.816 1.00 32.24 C ATOM 1137 C ALA A 73 -5.623 0.978 11.885 1.00 42.52 C ATOM 1138 O ALA A 73 -4.859 1.052 12.853 1.00 2.34 O ATOM 1139 CB ALA A 73 -5.014 0.531 9.471 1.00 11.03 C ATOM 0 H ALA A 73 -7.123 -0.799 9.814 1.00 73.14 H new ATOM 0 HA ALA A 73 -4.579 -0.734 11.145 1.00 32.24 H new ATOM 0 HB1 ALA A 73 -4.134 1.159 9.606 1.00 11.03 H new ATOM 0 HB2 ALA A 73 -4.791 -0.255 8.750 1.00 11.03 H new ATOM 0 HB3 ALA A 73 -5.840 1.139 9.102 1.00 11.03 H new ATOM 1145 N LYS A 74 -6.686 1.797 11.710 1.00 72.44 N ATOM 1146 CA LYS A 74 -6.951 2.968 12.580 1.00 54.10 C ATOM 1147 C LYS A 74 -7.124 2.576 14.066 1.00 63.44 C ATOM 1148 O LYS A 74 -6.763 3.355 14.958 1.00 12.33 O ATOM 1149 CB LYS A 74 -8.196 3.775 12.103 1.00 32.20 C ATOM 1150 CG LYS A 74 -9.563 3.101 12.383 1.00 72.33 C ATOM 1151 CD LYS A 74 -10.777 3.962 11.971 1.00 44.23 C ATOM 1152 CE LYS A 74 -10.884 4.179 10.452 1.00 1.33 C ATOM 1153 NZ LYS A 74 -12.064 5.011 10.102 1.00 43.03 N ATOM 0 H LYS A 74 -7.377 1.668 10.971 1.00 72.44 H new ATOM 0 HA LYS A 74 -6.068 3.602 12.498 1.00 54.10 H new ATOM 0 HB2 LYS A 74 -8.184 4.752 12.587 1.00 32.20 H new ATOM 0 HB3 LYS A 74 -8.107 3.950 11.031 1.00 32.20 H new ATOM 0 HG2 LYS A 74 -9.605 2.151 11.850 1.00 72.33 H new ATOM 0 HG3 LYS A 74 -9.635 2.874 13.447 1.00 72.33 H new ATOM 0 HD2 LYS A 74 -11.690 3.484 12.328 1.00 44.23 H new ATOM 0 HD3 LYS A 74 -10.710 4.931 12.465 1.00 44.23 H new ATOM 0 HE2 LYS A 74 -9.977 4.661 10.088 1.00 1.33 H new ATOM 0 HE3 LYS A 74 -10.956 3.214 9.950 1.00 1.33 H new ATOM 0 HZ1 LYS A 74 -12.106 5.138 9.071 1.00 43.03 H new ATOM 0 HZ2 LYS A 74 -12.931 4.538 10.428 1.00 43.03 H new ATOM 0 HZ3 LYS A 74 -11.982 5.940 10.562 1.00 43.03 H new ATOM 1167 N LYS A 75 -7.666 1.364 14.330 1.00 55.44 N ATOM 1168 CA LYS A 75 -7.920 0.897 15.705 1.00 33.23 C ATOM 1169 C LYS A 75 -6.592 0.513 16.403 1.00 61.23 C ATOM 1170 O LYS A 75 -6.467 0.634 17.627 1.00 25.12 O ATOM 1171 CB LYS A 75 -8.920 -0.297 15.713 1.00 64.22 C ATOM 1172 CG LYS A 75 -8.372 -1.616 15.117 1.00 33.24 C ATOM 1173 CD LYS A 75 -9.326 -2.815 15.316 1.00 43.42 C ATOM 1174 CE LYS A 75 -10.675 -2.658 14.594 1.00 44.13 C ATOM 1175 NZ LYS A 75 -11.545 -3.848 14.800 1.00 63.21 N ATOM 0 H LYS A 75 -7.934 0.696 13.607 1.00 55.44 H new ATOM 0 HA LYS A 75 -8.375 1.715 16.264 1.00 33.23 H new ATOM 0 HB2 LYS A 75 -9.232 -0.483 16.741 1.00 64.22 H new ATOM 0 HB3 LYS A 75 -9.812 -0.008 15.157 1.00 64.22 H new ATOM 0 HG2 LYS A 75 -8.190 -1.478 14.051 1.00 33.24 H new ATOM 0 HG3 LYS A 75 -7.411 -1.844 15.578 1.00 33.24 H new ATOM 0 HD2 LYS A 75 -8.836 -3.721 14.959 1.00 43.42 H new ATOM 0 HD3 LYS A 75 -9.508 -2.950 16.382 1.00 43.42 H new ATOM 0 HE2 LYS A 75 -11.184 -1.766 14.960 1.00 44.13 H new ATOM 0 HE3 LYS A 75 -10.503 -2.512 13.528 1.00 44.13 H new ATOM 0 HZ1 LYS A 75 -12.446 -3.710 14.300 1.00 63.21 H new ATOM 0 HZ2 LYS A 75 -11.069 -4.695 14.428 1.00 63.21 H new ATOM 0 HZ3 LYS A 75 -11.728 -3.972 15.816 1.00 63.21 H new ATOM 1189 N GLU A 76 -5.605 0.047 15.604 1.00 74.34 N ATOM 1190 CA GLU A 76 -4.276 -0.369 16.105 1.00 23.13 C ATOM 1191 C GLU A 76 -3.283 0.809 16.116 1.00 33.32 C ATOM 1192 O GLU A 76 -2.165 0.675 16.624 1.00 0.11 O ATOM 1193 CB GLU A 76 -3.723 -1.536 15.238 1.00 4.02 C ATOM 1194 CG GLU A 76 -4.689 -2.736 15.070 1.00 64.14 C ATOM 1195 CD GLU A 76 -5.071 -3.476 16.369 1.00 24.41 C ATOM 1196 OE1 GLU A 76 -5.904 -2.973 17.148 1.00 31.04 O ATOM 1197 OE2 GLU A 76 -4.569 -4.585 16.604 1.00 14.04 O ATOM 0 H GLU A 76 -5.708 -0.051 14.594 1.00 74.34 H new ATOM 0 HA GLU A 76 -4.394 -0.711 17.133 1.00 23.13 H new ATOM 0 HB2 GLU A 76 -3.472 -1.149 14.250 1.00 4.02 H new ATOM 0 HB3 GLU A 76 -2.796 -1.894 15.685 1.00 4.02 H new ATOM 0 HG2 GLU A 76 -5.603 -2.379 14.595 1.00 64.14 H new ATOM 0 HG3 GLU A 76 -4.233 -3.452 14.386 1.00 64.14 H new ATOM 1204 N GLY A 77 -3.712 1.963 15.572 1.00 32.54 N ATOM 1205 CA GLY A 77 -2.872 3.161 15.490 1.00 35.52 C ATOM 1206 C GLY A 77 -1.909 3.154 14.311 1.00 70.13 C ATOM 1207 O GLY A 77 -0.866 3.816 14.357 1.00 55.51 O ATOM 0 H GLY A 77 -4.646 2.086 15.181 1.00 32.54 H new ATOM 0 HA2 GLY A 77 -3.513 4.039 15.419 1.00 35.52 H new ATOM 0 HA3 GLY A 77 -2.301 3.257 16.413 1.00 35.52 H new ATOM 1211 N VAL A 78 -2.253 2.401 13.256 1.00 3.35 N ATOM 1212 CA VAL A 78 -1.475 2.357 12.008 1.00 15.53 C ATOM 1213 C VAL A 78 -1.902 3.536 11.108 1.00 52.22 C ATOM 1214 O VAL A 78 -3.060 3.588 10.668 1.00 30.45 O ATOM 1215 CB VAL A 78 -1.702 0.999 11.244 1.00 20.44 C ATOM 1216 CG1 VAL A 78 -0.807 0.899 9.981 1.00 2.21 C ATOM 1217 CG2 VAL A 78 -1.504 -0.221 12.179 1.00 31.43 C ATOM 0 H VAL A 78 -3.080 1.804 13.244 1.00 3.35 H new ATOM 0 HA VAL A 78 -0.416 2.434 12.253 1.00 15.53 H new ATOM 0 HB VAL A 78 -2.739 0.986 10.909 1.00 20.44 H new ATOM 0 HG11 VAL A 78 -0.991 -0.051 9.479 1.00 2.21 H new ATOM 0 HG12 VAL A 78 -1.042 1.719 9.303 1.00 2.21 H new ATOM 0 HG13 VAL A 78 0.242 0.959 10.272 1.00 2.21 H new ATOM 0 HG21 VAL A 78 -1.669 -1.140 11.617 1.00 31.43 H new ATOM 0 HG22 VAL A 78 -0.489 -0.215 12.575 1.00 31.43 H new ATOM 0 HG23 VAL A 78 -2.215 -0.167 13.003 1.00 31.43 H new ATOM 1227 N SER A 79 -0.971 4.471 10.844 1.00 12.52 N ATOM 1228 CA SER A 79 -1.239 5.677 10.050 1.00 3.03 C ATOM 1229 C SER A 79 -1.194 5.327 8.553 1.00 51.22 C ATOM 1230 O SER A 79 -0.127 5.278 7.943 1.00 42.42 O ATOM 1231 CB SER A 79 -0.208 6.775 10.398 1.00 13.54 C ATOM 1232 OG SER A 79 -0.245 7.097 11.781 1.00 20.42 O ATOM 0 H SER A 79 -0.009 4.408 11.178 1.00 12.52 H new ATOM 0 HA SER A 79 -2.232 6.060 10.285 1.00 3.03 H new ATOM 0 HB2 SER A 79 0.792 6.437 10.128 1.00 13.54 H new ATOM 0 HB3 SER A 79 -0.412 7.669 9.809 1.00 13.54 H new ATOM 0 HG SER A 79 0.418 7.793 11.973 1.00 20.42 H new ATOM 1238 N TYR A 80 -2.364 5.042 7.986 1.00 14.30 N ATOM 1239 CA TYR A 80 -2.502 4.633 6.581 1.00 52.32 C ATOM 1240 C TYR A 80 -2.837 5.866 5.710 1.00 4.30 C ATOM 1241 O TYR A 80 -3.696 6.684 6.075 1.00 4.24 O ATOM 1242 CB TYR A 80 -3.585 3.519 6.455 1.00 35.30 C ATOM 1243 CG TYR A 80 -4.997 3.932 6.914 1.00 62.32 C ATOM 1244 CD1 TYR A 80 -5.373 3.886 8.263 1.00 32.14 C ATOM 1245 CD2 TYR A 80 -5.945 4.402 6.003 1.00 40.45 C ATOM 1246 CE1 TYR A 80 -6.634 4.269 8.669 1.00 30.01 C ATOM 1247 CE2 TYR A 80 -7.204 4.787 6.408 1.00 40.21 C ATOM 1248 CZ TYR A 80 -7.542 4.728 7.738 1.00 40.25 C ATOM 1249 OH TYR A 80 -8.804 5.110 8.136 1.00 52.24 O ATOM 0 H TYR A 80 -3.251 5.087 8.487 1.00 14.30 H new ATOM 0 HA TYR A 80 -1.561 4.217 6.222 1.00 52.32 H new ATOM 0 HB2 TYR A 80 -3.636 3.198 5.414 1.00 35.30 H new ATOM 0 HB3 TYR A 80 -3.267 2.656 7.039 1.00 35.30 H new ATOM 0 HD1 TYR A 80 -4.661 3.544 8.999 1.00 32.14 H new ATOM 0 HD2 TYR A 80 -5.685 4.465 4.957 1.00 40.45 H new ATOM 0 HE1 TYR A 80 -6.909 4.210 9.712 1.00 30.01 H new ATOM 0 HE2 TYR A 80 -7.924 5.134 5.682 1.00 40.21 H new ATOM 0 HH TYR A 80 -9.317 5.409 7.356 1.00 52.24 H new ATOM 1259 N ASP A 81 -2.131 6.001 4.580 1.00 42.41 N ATOM 1260 CA ASP A 81 -2.343 7.080 3.602 1.00 32.30 C ATOM 1261 C ASP A 81 -3.015 6.478 2.371 1.00 24.43 C ATOM 1262 O ASP A 81 -2.386 5.716 1.635 1.00 74.01 O ATOM 1263 CB ASP A 81 -0.995 7.743 3.200 1.00 71.32 C ATOM 1264 CG ASP A 81 -0.175 8.252 4.399 1.00 65.10 C ATOM 1265 OD1 ASP A 81 -0.615 9.215 5.066 1.00 2.33 O ATOM 1266 OD2 ASP A 81 0.913 7.697 4.682 1.00 60.13 O ATOM 0 H ASP A 81 -1.386 5.356 4.314 1.00 42.41 H new ATOM 0 HA ASP A 81 -2.972 7.853 4.043 1.00 32.30 H new ATOM 0 HB2 ASP A 81 -0.398 7.022 2.642 1.00 71.32 H new ATOM 0 HB3 ASP A 81 -1.197 8.577 2.528 1.00 71.32 H new ATOM 1271 N VAL A 82 -4.290 6.819 2.148 1.00 13.20 N ATOM 1272 CA VAL A 82 -5.082 6.246 1.055 1.00 14.24 C ATOM 1273 C VAL A 82 -4.821 7.050 -0.238 1.00 14.33 C ATOM 1274 O VAL A 82 -5.385 8.131 -0.458 1.00 2.15 O ATOM 1275 CB VAL A 82 -6.618 6.217 1.416 1.00 65.22 C ATOM 1276 CG1 VAL A 82 -7.479 5.672 0.250 1.00 20.31 C ATOM 1277 CG2 VAL A 82 -6.859 5.395 2.706 1.00 53.43 C ATOM 0 H VAL A 82 -4.799 7.496 2.717 1.00 13.20 H new ATOM 0 HA VAL A 82 -4.776 5.212 0.896 1.00 14.24 H new ATOM 0 HB VAL A 82 -6.930 7.246 1.593 1.00 65.22 H new ATOM 0 HG11 VAL A 82 -8.529 5.670 0.543 1.00 20.31 H new ATOM 0 HG12 VAL A 82 -7.348 6.307 -0.627 1.00 20.31 H new ATOM 0 HG13 VAL A 82 -7.167 4.655 0.012 1.00 20.31 H new ATOM 0 HG21 VAL A 82 -7.924 5.387 2.939 1.00 53.43 H new ATOM 0 HG22 VAL A 82 -6.512 4.373 2.556 1.00 53.43 H new ATOM 0 HG23 VAL A 82 -6.311 5.846 3.533 1.00 53.43 H new ATOM 1287 N LEU A 83 -3.904 6.503 -1.046 1.00 42.42 N ATOM 1288 CA LEU A 83 -3.473 7.081 -2.320 1.00 73.35 C ATOM 1289 C LEU A 83 -4.322 6.476 -3.451 1.00 62.21 C ATOM 1290 O LEU A 83 -4.026 5.391 -3.946 1.00 11.14 O ATOM 1291 CB LEU A 83 -1.956 6.779 -2.528 1.00 11.31 C ATOM 1292 CG LEU A 83 -1.287 7.336 -3.833 1.00 21.11 C ATOM 1293 CD1 LEU A 83 -1.294 8.879 -3.859 1.00 3.23 C ATOM 1294 CD2 LEU A 83 0.142 6.771 -4.011 1.00 44.13 C ATOM 0 H LEU A 83 -3.432 5.626 -0.825 1.00 42.42 H new ATOM 0 HA LEU A 83 -3.611 8.162 -2.322 1.00 73.35 H new ATOM 0 HB2 LEU A 83 -1.412 7.178 -1.672 1.00 11.31 H new ATOM 0 HB3 LEU A 83 -1.822 5.697 -2.515 1.00 11.31 H new ATOM 0 HG LEU A 83 -1.883 6.998 -4.680 1.00 21.11 H new ATOM 0 HD11 LEU A 83 -0.823 9.230 -4.777 1.00 3.23 H new ATOM 0 HD12 LEU A 83 -2.322 9.239 -3.818 1.00 3.23 H new ATOM 0 HD13 LEU A 83 -0.742 9.260 -3.000 1.00 3.23 H new ATOM 0 HD21 LEU A 83 0.582 7.174 -4.923 1.00 44.13 H new ATOM 0 HD22 LEU A 83 0.755 7.056 -3.156 1.00 44.13 H new ATOM 0 HD23 LEU A 83 0.098 5.684 -4.079 1.00 44.13 H new ATOM 1306 N LYS A 84 -5.407 7.173 -3.822 1.00 3.25 N ATOM 1307 CA LYS A 84 -6.293 6.746 -4.919 1.00 64.11 C ATOM 1308 C LYS A 84 -5.975 7.573 -6.168 1.00 34.41 C ATOM 1309 O LYS A 84 -6.399 8.728 -6.286 1.00 43.51 O ATOM 1310 CB LYS A 84 -7.789 6.849 -4.520 1.00 60.22 C ATOM 1311 CG LYS A 84 -8.206 5.853 -3.411 1.00 33.55 C ATOM 1312 CD LYS A 84 -9.737 5.777 -3.141 1.00 31.40 C ATOM 1313 CE LYS A 84 -10.293 6.950 -2.300 1.00 32.11 C ATOM 1314 NZ LYS A 84 -10.265 8.254 -3.014 1.00 14.41 N ATOM 0 H LYS A 84 -5.695 8.043 -3.374 1.00 3.25 H new ATOM 0 HA LYS A 84 -6.111 5.694 -5.137 1.00 64.11 H new ATOM 0 HB2 LYS A 84 -7.997 7.864 -4.182 1.00 60.22 H new ATOM 0 HB3 LYS A 84 -8.404 6.675 -5.403 1.00 60.22 H new ATOM 0 HG2 LYS A 84 -7.850 4.859 -3.683 1.00 33.55 H new ATOM 0 HG3 LYS A 84 -7.702 6.130 -2.485 1.00 33.55 H new ATOM 0 HD2 LYS A 84 -10.262 5.749 -4.096 1.00 31.40 H new ATOM 0 HD3 LYS A 84 -9.958 4.841 -2.628 1.00 31.40 H new ATOM 0 HE2 LYS A 84 -11.319 6.725 -2.010 1.00 32.11 H new ATOM 0 HE3 LYS A 84 -9.713 7.035 -1.381 1.00 32.11 H new ATOM 0 HZ1 LYS A 84 -11.077 8.831 -2.714 1.00 14.41 H new ATOM 0 HZ2 LYS A 84 -9.382 8.755 -2.788 1.00 14.41 H new ATOM 0 HZ3 LYS A 84 -10.317 8.089 -4.040 1.00 14.41 H new ATOM 1328 N SER A 85 -5.178 6.969 -7.063 1.00 73.22 N ATOM 1329 CA SER A 85 -4.766 7.586 -8.328 1.00 21.34 C ATOM 1330 C SER A 85 -4.367 6.486 -9.335 1.00 54.02 C ATOM 1331 O SER A 85 -3.863 5.438 -8.936 1.00 73.23 O ATOM 1332 CB SER A 85 -3.615 8.594 -8.089 1.00 32.24 C ATOM 1333 OG SER A 85 -3.442 9.451 -9.201 1.00 54.12 O ATOM 0 H SER A 85 -4.800 6.032 -6.926 1.00 73.22 H new ATOM 0 HA SER A 85 -5.601 8.145 -8.750 1.00 21.34 H new ATOM 0 HB2 SER A 85 -3.827 9.187 -7.200 1.00 32.24 H new ATOM 0 HB3 SER A 85 -2.689 8.052 -7.897 1.00 32.24 H new ATOM 0 HG SER A 85 -2.549 9.316 -9.582 1.00 54.12 H new ATOM 1339 N THR A 86 -4.640 6.727 -10.629 1.00 5.01 N ATOM 1340 CA THR A 86 -4.382 5.766 -11.720 1.00 52.10 C ATOM 1341 C THR A 86 -3.396 6.381 -12.742 1.00 52.33 C ATOM 1342 O THR A 86 -3.816 7.060 -13.694 1.00 1.43 O ATOM 1343 CB THR A 86 -5.732 5.364 -12.421 1.00 75.32 C ATOM 1344 OG1 THR A 86 -6.416 6.547 -12.864 1.00 32.13 O ATOM 1345 CG2 THR A 86 -6.666 4.570 -11.494 1.00 62.01 C ATOM 0 H THR A 86 -5.050 7.603 -10.952 1.00 5.01 H new ATOM 0 HA THR A 86 -3.932 4.865 -11.303 1.00 52.10 H new ATOM 0 HB THR A 86 -5.475 4.723 -13.264 1.00 75.32 H new ATOM 0 HG1 THR A 86 -5.776 7.155 -13.290 1.00 32.13 H new ATOM 0 HG21 THR A 86 -7.582 4.319 -12.029 1.00 62.01 H new ATOM 0 HG22 THR A 86 -6.169 3.654 -11.175 1.00 62.01 H new ATOM 0 HG23 THR A 86 -6.910 5.174 -10.620 1.00 62.01 H new ATOM 1353 N ASP A 87 -2.080 6.167 -12.512 1.00 3.14 N ATOM 1354 CA ASP A 87 -0.995 6.802 -13.297 1.00 10.33 C ATOM 1355 C ASP A 87 0.396 6.214 -12.904 1.00 71.12 C ATOM 1356 O ASP A 87 0.823 6.340 -11.757 1.00 63.44 O ATOM 1357 CB ASP A 87 -1.028 8.365 -13.159 1.00 63.30 C ATOM 1358 CG ASP A 87 -1.268 8.928 -11.739 1.00 71.11 C ATOM 1359 OD1 ASP A 87 -1.163 8.193 -10.734 1.00 54.22 O ATOM 1360 OD2 ASP A 87 -1.571 10.143 -11.625 1.00 32.33 O ATOM 0 H ASP A 87 -1.740 5.548 -11.776 1.00 3.14 H new ATOM 0 HA ASP A 87 -1.162 6.571 -14.349 1.00 10.33 H new ATOM 0 HB2 ASP A 87 -0.081 8.760 -13.527 1.00 63.30 H new ATOM 0 HB3 ASP A 87 -1.810 8.749 -13.815 1.00 63.30 H new ATOM 1365 N PRO A 88 1.136 5.576 -13.883 1.00 34.52 N ATOM 1366 CA PRO A 88 2.312 4.707 -13.581 1.00 44.14 C ATOM 1367 C PRO A 88 3.535 5.455 -13.002 1.00 72.24 C ATOM 1368 O PRO A 88 4.265 4.901 -12.176 1.00 43.44 O ATOM 1369 CB PRO A 88 2.631 4.061 -14.960 1.00 63.14 C ATOM 1370 CG PRO A 88 2.138 5.065 -15.968 1.00 71.12 C ATOM 1371 CD PRO A 88 0.888 5.667 -15.356 1.00 11.43 C ATOM 0 HA PRO A 88 2.082 3.989 -12.793 1.00 44.14 H new ATOM 0 HB2 PRO A 88 3.699 3.875 -15.074 1.00 63.14 H new ATOM 0 HB3 PRO A 88 2.127 3.102 -15.075 1.00 63.14 H new ATOM 0 HG2 PRO A 88 2.890 5.831 -16.160 1.00 71.12 H new ATOM 0 HG3 PRO A 88 1.918 4.588 -16.923 1.00 71.12 H new ATOM 0 HD2 PRO A 88 0.743 6.699 -15.675 1.00 11.43 H new ATOM 0 HD3 PRO A 88 -0.006 5.115 -15.647 1.00 11.43 H new ATOM 1379 N GLU A 89 3.731 6.713 -13.417 1.00 61.41 N ATOM 1380 CA GLU A 89 4.914 7.509 -13.016 1.00 32.42 C ATOM 1381 C GLU A 89 4.672 8.168 -11.651 1.00 5.23 C ATOM 1382 O GLU A 89 5.569 8.199 -10.796 1.00 4.04 O ATOM 1383 CB GLU A 89 5.316 8.587 -14.082 1.00 71.33 C ATOM 1384 CG GLU A 89 4.323 9.758 -14.319 1.00 40.34 C ATOM 1385 CD GLU A 89 3.022 9.341 -15.020 1.00 14.03 C ATOM 1386 OE1 GLU A 89 2.978 9.329 -16.266 1.00 23.14 O ATOM 1387 OE2 GLU A 89 2.052 8.982 -14.325 1.00 14.15 O ATOM 0 H GLU A 89 3.087 7.209 -14.033 1.00 61.41 H new ATOM 0 HA GLU A 89 5.752 6.816 -12.943 1.00 32.42 H new ATOM 0 HB2 GLU A 89 6.275 9.012 -13.787 1.00 71.33 H new ATOM 0 HB3 GLU A 89 5.472 8.079 -15.034 1.00 71.33 H new ATOM 0 HG2 GLU A 89 4.077 10.212 -13.359 1.00 40.34 H new ATOM 0 HG3 GLU A 89 4.817 10.524 -14.917 1.00 40.34 H new ATOM 1394 N GLU A 90 3.440 8.659 -11.448 1.00 14.14 N ATOM 1395 CA GLU A 90 3.060 9.410 -10.245 1.00 71.11 C ATOM 1396 C GLU A 90 2.997 8.490 -9.019 1.00 23.25 C ATOM 1397 O GLU A 90 3.483 8.844 -7.946 1.00 14.14 O ATOM 1398 CB GLU A 90 1.705 10.089 -10.475 1.00 31.20 C ATOM 1399 CG GLU A 90 1.140 10.881 -9.277 1.00 0.42 C ATOM 1400 CD GLU A 90 1.935 12.158 -8.955 1.00 63.23 C ATOM 1401 OE1 GLU A 90 1.692 13.195 -9.615 1.00 74.24 O ATOM 1402 OE2 GLU A 90 2.791 12.141 -8.045 1.00 13.54 O ATOM 0 H GLU A 90 2.678 8.545 -12.116 1.00 14.14 H new ATOM 0 HA GLU A 90 3.817 10.170 -10.051 1.00 71.11 H new ATOM 0 HB2 GLU A 90 1.799 10.767 -11.323 1.00 31.20 H new ATOM 0 HB3 GLU A 90 0.980 9.325 -10.756 1.00 31.20 H new ATOM 0 HG2 GLU A 90 0.105 11.150 -9.486 1.00 0.42 H new ATOM 0 HG3 GLU A 90 1.131 10.237 -8.398 1.00 0.42 H new ATOM 1409 N LEU A 91 2.403 7.301 -9.192 1.00 45.15 N ATOM 1410 CA LEU A 91 2.315 6.313 -8.108 1.00 1.43 C ATOM 1411 C LEU A 91 3.727 5.837 -7.708 1.00 62.23 C ATOM 1412 O LEU A 91 4.024 5.751 -6.524 1.00 0.10 O ATOM 1413 CB LEU A 91 1.421 5.123 -8.509 1.00 52.30 C ATOM 1414 CG LEU A 91 -0.076 5.444 -8.784 1.00 33.24 C ATOM 1415 CD1 LEU A 91 -0.827 4.179 -9.237 1.00 53.50 C ATOM 1416 CD2 LEU A 91 -0.756 6.095 -7.562 1.00 62.55 C ATOM 0 H LEU A 91 1.978 7.001 -10.069 1.00 45.15 H new ATOM 0 HA LEU A 91 1.853 6.790 -7.244 1.00 1.43 H new ATOM 0 HB2 LEU A 91 1.842 4.666 -9.404 1.00 52.30 H new ATOM 0 HB3 LEU A 91 1.470 4.376 -7.716 1.00 52.30 H new ATOM 0 HG LEU A 91 -0.116 6.172 -9.594 1.00 33.24 H new ATOM 0 HD11 LEU A 91 -1.872 4.424 -9.424 1.00 53.50 H new ATOM 0 HD12 LEU A 91 -0.375 3.795 -10.151 1.00 53.50 H new ATOM 0 HD13 LEU A 91 -0.766 3.421 -8.456 1.00 53.50 H new ATOM 0 HD21 LEU A 91 -1.800 6.304 -7.795 1.00 62.55 H new ATOM 0 HD22 LEU A 91 -0.703 5.416 -6.711 1.00 62.55 H new ATOM 0 HD23 LEU A 91 -0.246 7.026 -7.315 1.00 62.55 H new ATOM 1428 N THR A 92 4.601 5.578 -8.718 1.00 64.00 N ATOM 1429 CA THR A 92 5.996 5.128 -8.487 1.00 73.22 C ATOM 1430 C THR A 92 6.810 6.169 -7.690 1.00 64.31 C ATOM 1431 O THR A 92 7.548 5.801 -6.763 1.00 74.45 O ATOM 1432 CB THR A 92 6.727 4.775 -9.835 1.00 35.23 C ATOM 1433 OG1 THR A 92 6.034 3.698 -10.483 1.00 5.24 O ATOM 1434 CG2 THR A 92 8.206 4.362 -9.640 1.00 72.04 C ATOM 0 H THR A 92 4.359 5.675 -9.704 1.00 64.00 H new ATOM 0 HA THR A 92 5.933 4.219 -7.889 1.00 73.22 H new ATOM 0 HB THR A 92 6.718 5.681 -10.442 1.00 35.23 H new ATOM 0 HG1 THR A 92 5.332 4.062 -11.062 1.00 5.24 H new ATOM 0 HG21 THR A 92 8.650 4.132 -10.608 1.00 72.04 H new ATOM 0 HG22 THR A 92 8.754 5.181 -9.175 1.00 72.04 H new ATOM 0 HG23 THR A 92 8.256 3.482 -8.999 1.00 72.04 H new ATOM 1442 N GLN A 93 6.635 7.469 -8.026 1.00 73.50 N ATOM 1443 CA GLN A 93 7.391 8.553 -7.373 1.00 52.32 C ATOM 1444 C GLN A 93 6.874 8.788 -5.938 1.00 3.13 C ATOM 1445 O GLN A 93 7.661 9.158 -5.075 1.00 35.54 O ATOM 1446 CB GLN A 93 7.371 9.873 -8.200 1.00 51.53 C ATOM 1447 CG GLN A 93 6.014 10.589 -8.264 1.00 22.12 C ATOM 1448 CD GLN A 93 6.023 11.838 -9.139 1.00 25.21 C ATOM 1449 OE1 GLN A 93 5.770 11.772 -10.343 1.00 5.13 O ATOM 1450 NE2 GLN A 93 6.299 12.985 -8.543 1.00 74.11 N ATOM 0 H GLN A 93 5.981 7.787 -8.741 1.00 73.50 H new ATOM 0 HA GLN A 93 8.432 8.233 -7.320 1.00 52.32 H new ATOM 0 HB2 GLN A 93 8.105 10.559 -7.776 1.00 51.53 H new ATOM 0 HB3 GLN A 93 7.693 9.650 -9.217 1.00 51.53 H new ATOM 0 HG2 GLN A 93 5.264 9.895 -8.644 1.00 22.12 H new ATOM 0 HG3 GLN A 93 5.710 10.865 -7.254 1.00 22.12 H new ATOM 0 HE21 GLN A 93 6.504 13.004 -7.544 1.00 74.11 H new ATOM 0 HE22 GLN A 93 6.307 13.851 -9.082 1.00 74.11 H new ATOM 1459 N ARG A 94 5.561 8.537 -5.691 1.00 14.22 N ATOM 1460 CA ARG A 94 4.954 8.685 -4.345 1.00 44.23 C ATOM 1461 C ARG A 94 5.403 7.549 -3.408 1.00 21.20 C ATOM 1462 O ARG A 94 5.735 7.796 -2.244 1.00 11.53 O ATOM 1463 CB ARG A 94 3.404 8.729 -4.420 1.00 63.12 C ATOM 1464 CG ARG A 94 2.825 9.984 -5.105 1.00 54.04 C ATOM 1465 CD ARG A 94 3.175 11.295 -4.376 1.00 65.01 C ATOM 1466 NE ARG A 94 2.608 12.473 -5.057 1.00 73.41 N ATOM 1467 CZ ARG A 94 3.129 13.710 -5.042 1.00 13.11 C ATOM 1468 NH1 ARG A 94 4.260 13.979 -4.394 1.00 34.20 N ATOM 1469 NH2 ARG A 94 2.498 14.677 -5.683 1.00 4.23 N ATOM 0 H ARG A 94 4.904 8.231 -6.409 1.00 14.22 H new ATOM 0 HA ARG A 94 5.303 9.634 -3.938 1.00 44.23 H new ATOM 0 HB2 ARG A 94 3.055 7.846 -4.956 1.00 63.12 H new ATOM 0 HB3 ARG A 94 3.003 8.667 -3.408 1.00 63.12 H new ATOM 0 HG2 ARG A 94 3.198 10.035 -6.128 1.00 54.04 H new ATOM 0 HG3 ARG A 94 1.741 9.889 -5.165 1.00 54.04 H new ATOM 0 HD2 ARG A 94 2.801 11.252 -3.353 1.00 65.01 H new ATOM 0 HD3 ARG A 94 4.258 11.398 -4.315 1.00 65.01 H new ATOM 0 HE ARG A 94 1.746 12.336 -5.585 1.00 73.41 H new ATOM 0 HH11 ARG A 94 4.750 13.237 -3.894 1.00 34.20 H new ATOM 0 HH12 ARG A 94 4.636 14.927 -4.397 1.00 34.20 H new ATOM 0 HH21 ARG A 94 1.629 14.478 -6.179 1.00 4.23 H new ATOM 0 HH22 ARG A 94 2.879 15.623 -5.682 1.00 4.23 H new ATOM 1483 N VAL A 95 5.380 6.309 -3.937 1.00 23.33 N ATOM 1484 CA VAL A 95 5.857 5.097 -3.236 1.00 33.23 C ATOM 1485 C VAL A 95 7.309 5.286 -2.782 1.00 22.42 C ATOM 1486 O VAL A 95 7.639 5.142 -1.586 1.00 62.21 O ATOM 1487 CB VAL A 95 5.747 3.822 -4.178 1.00 24.01 C ATOM 1488 CG1 VAL A 95 6.512 2.594 -3.612 1.00 71.54 C ATOM 1489 CG2 VAL A 95 4.265 3.460 -4.444 1.00 43.22 C ATOM 0 H VAL A 95 5.026 6.118 -4.874 1.00 23.33 H new ATOM 0 HA VAL A 95 5.226 4.938 -2.361 1.00 33.23 H new ATOM 0 HB VAL A 95 6.222 4.089 -5.122 1.00 24.01 H new ATOM 0 HG11 VAL A 95 6.404 1.751 -4.295 1.00 71.54 H new ATOM 0 HG12 VAL A 95 7.568 2.841 -3.505 1.00 71.54 H new ATOM 0 HG13 VAL A 95 6.102 2.327 -2.638 1.00 71.54 H new ATOM 0 HG21 VAL A 95 4.215 2.584 -5.091 1.00 43.22 H new ATOM 0 HG22 VAL A 95 3.768 3.242 -3.499 1.00 43.22 H new ATOM 0 HG23 VAL A 95 3.767 4.299 -4.930 1.00 43.22 H new ATOM 1499 N ARG A 96 8.155 5.664 -3.745 1.00 51.14 N ATOM 1500 CA ARG A 96 9.590 5.716 -3.533 1.00 4.22 C ATOM 1501 C ARG A 96 9.971 6.905 -2.633 1.00 74.22 C ATOM 1502 O ARG A 96 10.806 6.737 -1.750 1.00 53.45 O ATOM 1503 CB ARG A 96 10.363 5.713 -4.881 1.00 14.54 C ATOM 1504 CG ARG A 96 10.459 7.057 -5.627 1.00 41.13 C ATOM 1505 CD ARG A 96 11.118 6.902 -7.007 1.00 44.31 C ATOM 1506 NE ARG A 96 12.353 6.092 -6.957 1.00 45.23 N ATOM 1507 CZ ARG A 96 13.603 6.563 -6.831 1.00 61.11 C ATOM 1508 NH1 ARG A 96 13.841 7.862 -6.737 1.00 41.21 N ATOM 1509 NH2 ARG A 96 14.612 5.711 -6.797 1.00 55.01 N ATOM 0 H ARG A 96 7.860 5.939 -4.682 1.00 51.14 H new ATOM 0 HA ARG A 96 9.890 4.811 -3.005 1.00 4.22 H new ATOM 0 HB2 ARG A 96 11.375 5.356 -4.692 1.00 14.54 H new ATOM 0 HB3 ARG A 96 9.888 4.989 -5.544 1.00 14.54 H new ATOM 0 HG2 ARG A 96 9.461 7.478 -5.747 1.00 41.13 H new ATOM 0 HG3 ARG A 96 11.033 7.764 -5.028 1.00 41.13 H new ATOM 0 HD2 ARG A 96 10.410 6.438 -7.694 1.00 44.31 H new ATOM 0 HD3 ARG A 96 11.350 7.889 -7.408 1.00 44.31 H new ATOM 0 HE ARG A 96 12.245 5.080 -7.025 1.00 45.23 H new ATOM 0 HH11 ARG A 96 13.066 8.525 -6.760 1.00 41.21 H new ATOM 0 HH12 ARG A 96 14.799 8.199 -6.642 1.00 41.21 H new ATOM 0 HH21 ARG A 96 14.436 4.709 -6.866 1.00 55.01 H new ATOM 0 HH22 ARG A 96 15.567 6.055 -6.702 1.00 55.01 H new ATOM 1523 N GLU A 97 9.321 8.085 -2.822 1.00 32.52 N ATOM 1524 CA GLU A 97 9.636 9.287 -2.017 1.00 33.44 C ATOM 1525 C GLU A 97 9.268 9.050 -0.545 1.00 12.30 C ATOM 1526 O GLU A 97 9.972 9.516 0.341 1.00 51.03 O ATOM 1527 CB GLU A 97 8.935 10.576 -2.542 1.00 23.04 C ATOM 1528 CG GLU A 97 7.419 10.664 -2.266 1.00 42.15 C ATOM 1529 CD GLU A 97 6.782 11.973 -2.750 1.00 42.21 C ATOM 1530 OE1 GLU A 97 6.403 12.055 -3.932 1.00 24.22 O ATOM 1531 OE2 GLU A 97 6.659 12.928 -1.950 1.00 72.15 O ATOM 0 H GLU A 97 8.586 8.224 -3.516 1.00 32.52 H new ATOM 0 HA GLU A 97 10.709 9.452 -2.110 1.00 33.44 H new ATOM 0 HB2 GLU A 97 9.420 11.442 -2.092 1.00 23.04 H new ATOM 0 HB3 GLU A 97 9.096 10.644 -3.618 1.00 23.04 H new ATOM 0 HG2 GLU A 97 6.920 9.825 -2.752 1.00 42.15 H new ATOM 0 HG3 GLU A 97 7.246 10.560 -1.195 1.00 42.15 H new ATOM 1538 N PHE A 98 8.151 8.323 -0.312 1.00 62.10 N ATOM 1539 CA PHE A 98 7.683 7.931 1.028 1.00 3.50 C ATOM 1540 C PHE A 98 8.735 7.056 1.738 1.00 42.53 C ATOM 1541 O PHE A 98 9.030 7.256 2.922 1.00 72.30 O ATOM 1542 CB PHE A 98 6.331 7.175 0.872 1.00 53.22 C ATOM 1543 CG PHE A 98 5.648 6.758 2.173 1.00 33.54 C ATOM 1544 CD1 PHE A 98 5.051 7.713 2.997 1.00 3.34 C ATOM 1545 CD2 PHE A 98 5.579 5.416 2.565 1.00 65.40 C ATOM 1546 CE1 PHE A 98 4.416 7.344 4.167 1.00 23.42 C ATOM 1547 CE2 PHE A 98 4.943 5.056 3.737 1.00 22.00 C ATOM 1548 CZ PHE A 98 4.363 6.019 4.534 1.00 55.55 C ATOM 0 H PHE A 98 7.545 7.990 -1.062 1.00 62.10 H new ATOM 0 HA PHE A 98 7.535 8.816 1.646 1.00 3.50 H new ATOM 0 HB2 PHE A 98 5.645 7.809 0.311 1.00 53.22 H new ATOM 0 HB3 PHE A 98 6.503 6.282 0.272 1.00 53.22 H new ATOM 0 HD1 PHE A 98 5.086 8.755 2.716 1.00 3.34 H new ATOM 0 HD2 PHE A 98 6.028 4.654 1.945 1.00 65.40 H new ATOM 0 HE1 PHE A 98 3.961 8.096 4.794 1.00 23.42 H new ATOM 0 HE2 PHE A 98 4.900 4.017 4.030 1.00 22.00 H new ATOM 0 HZ PHE A 98 3.866 5.733 5.449 1.00 55.55 H new ATOM 1558 N LEU A 99 9.305 6.095 0.985 1.00 0.01 N ATOM 1559 CA LEU A 99 10.364 5.198 1.496 1.00 23.13 C ATOM 1560 C LEU A 99 11.741 5.912 1.587 1.00 50.31 C ATOM 1561 O LEU A 99 12.612 5.474 2.345 1.00 21.52 O ATOM 1562 CB LEU A 99 10.445 3.918 0.621 1.00 65.24 C ATOM 1563 CG LEU A 99 9.153 3.033 0.604 1.00 71.21 C ATOM 1564 CD1 LEU A 99 9.296 1.833 -0.354 1.00 74.34 C ATOM 1565 CD2 LEU A 99 8.766 2.569 2.029 1.00 42.15 C ATOM 0 H LEU A 99 9.048 5.918 0.014 1.00 0.01 H new ATOM 0 HA LEU A 99 10.098 4.909 2.513 1.00 23.13 H new ATOM 0 HB2 LEU A 99 10.677 4.212 -0.403 1.00 65.24 H new ATOM 0 HB3 LEU A 99 11.277 3.309 0.974 1.00 65.24 H new ATOM 0 HG LEU A 99 8.342 3.656 0.227 1.00 71.21 H new ATOM 0 HD11 LEU A 99 8.379 1.243 -0.338 1.00 74.34 H new ATOM 0 HD12 LEU A 99 9.477 2.195 -1.366 1.00 74.34 H new ATOM 0 HD13 LEU A 99 10.133 1.211 -0.036 1.00 74.34 H new ATOM 0 HD21 LEU A 99 7.865 1.957 1.980 1.00 42.15 H new ATOM 0 HD22 LEU A 99 9.580 1.983 2.454 1.00 42.15 H new ATOM 0 HD23 LEU A 99 8.579 3.440 2.657 1.00 42.15 H new ATOM 1577 N LYS A 100 11.931 7.008 0.812 1.00 74.35 N ATOM 1578 CA LYS A 100 13.167 7.835 0.866 1.00 52.23 C ATOM 1579 C LYS A 100 13.157 8.764 2.089 1.00 12.43 C ATOM 1580 O LYS A 100 14.185 8.939 2.758 1.00 61.31 O ATOM 1581 CB LYS A 100 13.338 8.688 -0.430 1.00 54.54 C ATOM 1582 CG LYS A 100 13.747 7.900 -1.690 1.00 73.13 C ATOM 1583 CD LYS A 100 15.127 7.207 -1.560 1.00 13.21 C ATOM 1584 CE LYS A 100 15.561 6.508 -2.860 1.00 42.54 C ATOM 1585 NZ LYS A 100 16.848 5.794 -2.698 1.00 41.45 N ATOM 0 H LYS A 100 11.242 7.343 0.139 1.00 74.35 H new ATOM 0 HA LYS A 100 14.008 7.146 0.947 1.00 52.23 H new ATOM 0 HB2 LYS A 100 12.399 9.203 -0.633 1.00 54.54 H new ATOM 0 HB3 LYS A 100 14.088 9.456 -0.243 1.00 54.54 H new ATOM 0 HG2 LYS A 100 12.988 7.146 -1.901 1.00 73.13 H new ATOM 0 HG3 LYS A 100 13.768 8.578 -2.543 1.00 73.13 H new ATOM 0 HD2 LYS A 100 15.877 7.948 -1.282 1.00 13.21 H new ATOM 0 HD3 LYS A 100 15.088 6.475 -0.753 1.00 13.21 H new ATOM 0 HE2 LYS A 100 14.790 5.802 -3.168 1.00 42.54 H new ATOM 0 HE3 LYS A 100 15.653 7.246 -3.656 1.00 42.54 H new ATOM 0 HZ1 LYS A 100 17.106 5.336 -3.595 1.00 41.45 H new ATOM 0 HZ2 LYS A 100 17.590 6.472 -2.429 1.00 41.45 H new ATOM 0 HZ3 LYS A 100 16.753 5.072 -1.956 1.00 41.45 H new ATOM 1599 N THR A 101 11.988 9.361 2.362 1.00 65.21 N ATOM 1600 CA THR A 101 11.835 10.388 3.399 1.00 30.14 C ATOM 1601 C THR A 101 11.708 9.732 4.779 1.00 1.30 C ATOM 1602 O THR A 101 12.558 9.935 5.635 1.00 25.11 O ATOM 1603 CB THR A 101 10.605 11.315 3.112 1.00 43.41 C ATOM 1604 OG1 THR A 101 9.433 10.512 2.899 1.00 44.30 O ATOM 1605 CG2 THR A 101 10.832 12.230 1.892 1.00 45.23 C ATOM 0 H THR A 101 11.122 9.144 1.869 1.00 65.21 H new ATOM 0 HA THR A 101 12.727 11.014 3.387 1.00 30.14 H new ATOM 0 HB THR A 101 10.471 11.957 3.983 1.00 43.41 H new ATOM 0 HG1 THR A 101 9.451 10.140 1.992 1.00 44.30 H new ATOM 0 HG21 THR A 101 9.951 12.852 1.735 1.00 45.23 H new ATOM 0 HG22 THR A 101 11.699 12.866 2.071 1.00 45.23 H new ATOM 0 HG23 THR A 101 11.007 11.619 1.006 1.00 45.23 H new ATOM 1613 N ALA A 102 10.686 8.878 4.945 1.00 31.51 N ATOM 1614 CA ALA A 102 10.352 8.265 6.245 1.00 21.43 C ATOM 1615 C ALA A 102 11.197 6.998 6.530 1.00 55.13 C ATOM 1616 O ALA A 102 11.100 6.433 7.625 1.00 10.43 O ATOM 1617 CB ALA A 102 8.850 7.934 6.284 1.00 15.34 C ATOM 0 H ALA A 102 10.068 8.592 4.186 1.00 31.51 H new ATOM 0 HA ALA A 102 10.590 8.985 7.028 1.00 21.43 H new ATOM 0 HB1 ALA A 102 8.602 7.481 7.244 1.00 15.34 H new ATOM 0 HB2 ALA A 102 8.272 8.849 6.155 1.00 15.34 H new ATOM 0 HB3 ALA A 102 8.610 7.237 5.481 1.00 15.34 H new