USER MOD reduce.3.24.130724 H: found=0, std=0, add=857, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 857 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 25 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 26 GLN : amide:sc= 0 X(o=0,f=-0.091) USER MOD Set 2.1: A 21 GLN : amide:sc= -0.651 K(o=-0.79,f=-1.8!) USER MOD Set 2.2: A 32 GLN : amide:sc=-0.00734 K(o=-0.79,f=-2.1) USER MOD Set 2.3: A 34 MET CE :methyl -113:sc= -0.127 (180deg=-1.25) USER MOD Single : A 1 MET CE :methyl 147:sc= -0.223 (180deg=-0.438) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot -160:sc= -1.06 USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 8 GLN :FLIP amide:sc= -0.0418 F(o=-0.54,f=-0.042) USER MOD Single : A 13 LYS NZ :NH3+ 151:sc= 1.26 (180deg=0.175) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 85:sc= -0.768! USER MOD Single : A 18 TYR OH : rot 106:sc= 0.204 USER MOD Single : A 28 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0745) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= -0.164 X(o=-0.16,f=-0.071) USER MOD Single : A 42 SER OG : rot -23:sc= 0.288 USER MOD Single : A 45 MET CE :methyl 173:sc= -0.201 (180deg=-0.376) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot 15:sc= 0.429 USER MOD Single : A 51 GLN : amide:sc= 0.574 K(o=0.57,f=-3.2!) USER MOD Single : A 53 HIS : no HD1:sc= 0.867 K(o=0.87,f=-3.5!) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 HIS : no HD1:sc= 0 X(o=0,f=-0.07) USER MOD Single : A 69 GLN : amide:sc= -0.516 K(o=-0.52,f=-3.6!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 74:sc= 1.24 USER MOD Single : A 75 THR OG1 : rot 89:sc= 1.28 USER MOD Single : A 76 GLN :FLIP amide:sc= -0.122 F(o=-1,f=-0.12) USER MOD Single : A 77 THR OG1 : rot 180:sc= -1.11 USER MOD Single : A 78 LYS NZ :NH3+ -164:sc= 0.496 (180deg=0.184) USER MOD Single : A 85 LYS NZ :NH3+ -165:sc= 0.0884 (180deg=-0.0994) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot -19:sc= 0.0409 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.572 -0.540 0.875 1.00 63.13 N ATOM 2 CA MET A 1 -11.679 -0.264 -0.275 1.00 73.25 C ATOM 3 C MET A 1 -11.159 -1.588 -0.847 1.00 63.01 C ATOM 4 O MET A 1 -10.455 -2.324 -0.152 1.00 5.00 O ATOM 5 CB MET A 1 -10.498 0.662 0.154 1.00 71.33 C ATOM 6 CG MET A 1 -9.492 0.970 -0.967 1.00 0.43 C ATOM 7 SD MET A 1 -8.200 2.142 -0.490 1.00 24.51 S ATOM 8 CE MET A 1 -7.369 1.280 0.840 1.00 4.01 C ATOM 0 H1 MET A 1 -12.925 0.358 1.264 1.00 63.13 H new ATOM 0 H2 MET A 1 -13.375 -1.120 0.559 1.00 63.13 H new ATOM 0 H3 MET A 1 -12.043 -1.051 1.610 1.00 63.13 H new ATOM 0 HA MET A 1 -12.242 0.257 -1.049 1.00 73.25 H new ATOM 0 HB2 MET A 1 -10.906 1.601 0.527 1.00 71.33 H new ATOM 0 HB3 MET A 1 -9.967 0.193 0.983 1.00 71.33 H new ATOM 0 HG2 MET A 1 -9.024 0.039 -1.288 1.00 0.43 H new ATOM 0 HG3 MET A 1 -10.031 1.369 -1.826 1.00 0.43 H new ATOM 0 HE1 MET A 1 -6.309 1.534 0.832 1.00 4.01 H new ATOM 0 HE2 MET A 1 -7.806 1.575 1.794 1.00 4.01 H new ATOM 0 HE3 MET A 1 -7.485 0.205 0.705 1.00 4.01 H new ATOM 20 N THR A 2 -11.519 -1.893 -2.106 1.00 23.12 N ATOM 21 CA THR A 2 -11.009 -3.079 -2.816 1.00 12.33 C ATOM 22 C THR A 2 -9.557 -2.852 -3.282 1.00 72.21 C ATOM 23 O THR A 2 -9.064 -1.717 -3.255 1.00 22.24 O ATOM 24 CB THR A 2 -11.898 -3.421 -4.060 1.00 53.23 C ATOM 25 OG1 THR A 2 -11.973 -2.288 -4.945 1.00 62.02 O ATOM 26 CG2 THR A 2 -13.317 -3.834 -3.659 1.00 61.14 C ATOM 0 H THR A 2 -12.167 -1.329 -2.656 1.00 23.12 H new ATOM 0 HA THR A 2 -11.041 -3.914 -2.117 1.00 12.33 H new ATOM 0 HB THR A 2 -11.427 -4.264 -4.565 1.00 53.23 H new ATOM 0 HG1 THR A 2 -12.753 -2.382 -5.531 1.00 62.02 H new ATOM 0 HG21 THR A 2 -13.896 -4.062 -4.554 1.00 61.14 H new ATOM 0 HG22 THR A 2 -13.272 -4.717 -3.021 1.00 61.14 H new ATOM 0 HG23 THR A 2 -13.794 -3.018 -3.116 1.00 61.14 H new ATOM 34 N GLY A 3 -8.889 -3.938 -3.718 1.00 53.04 N ATOM 35 CA GLY A 3 -7.556 -3.851 -4.327 1.00 32.35 C ATOM 36 C GLY A 3 -7.569 -3.102 -5.650 1.00 40.25 C ATOM 37 O GLY A 3 -6.534 -2.592 -6.083 1.00 44.02 O ATOM 0 H GLY A 3 -9.257 -4.888 -3.657 1.00 53.04 H new ATOM 0 HA2 GLY A 3 -6.876 -3.351 -3.637 1.00 32.35 H new ATOM 0 HA3 GLY A 3 -7.166 -4.856 -4.486 1.00 32.35 H new ATOM 41 N GLN A 4 -8.758 -3.057 -6.279 1.00 23.31 N ATOM 42 CA GLN A 4 -9.035 -2.210 -7.446 1.00 43.12 C ATOM 43 C GLN A 4 -8.865 -0.729 -7.066 1.00 53.12 C ATOM 44 O GLN A 4 -8.086 -0.023 -7.688 1.00 3.33 O ATOM 45 CB GLN A 4 -10.475 -2.469 -7.968 1.00 31.14 C ATOM 46 CG GLN A 4 -10.949 -1.501 -9.072 1.00 34.31 C ATOM 47 CD GLN A 4 -12.359 -1.797 -9.588 1.00 71.34 C ATOM 48 OE1 GLN A 4 -13.212 -2.307 -8.859 1.00 23.10 O ATOM 49 NE2 GLN A 4 -12.630 -1.466 -10.840 1.00 31.54 N ATOM 0 H GLN A 4 -9.560 -3.615 -5.985 1.00 23.31 H new ATOM 0 HA GLN A 4 -8.329 -2.456 -8.239 1.00 43.12 H new ATOM 0 HB2 GLN A 4 -10.529 -3.488 -8.351 1.00 31.14 H new ATOM 0 HB3 GLN A 4 -11.167 -2.406 -7.128 1.00 31.14 H new ATOM 0 HG2 GLN A 4 -10.920 -0.482 -8.686 1.00 34.31 H new ATOM 0 HG3 GLN A 4 -10.250 -1.546 -9.907 1.00 34.31 H new ATOM 0 HE21 GLN A 4 -11.907 -1.045 -11.424 1.00 31.54 H new ATOM 0 HE22 GLN A 4 -13.561 -1.632 -11.221 1.00 31.54 H new ATOM 58 N GLU A 5 -9.588 -0.293 -6.011 1.00 22.12 N ATOM 59 CA GLU A 5 -9.580 1.112 -5.541 1.00 12.11 C ATOM 60 C GLU A 5 -8.199 1.513 -4.986 1.00 31.23 C ATOM 61 O GLU A 5 -7.759 2.656 -5.157 1.00 30.42 O ATOM 62 CB GLU A 5 -10.665 1.312 -4.457 1.00 53.30 C ATOM 63 CG GLU A 5 -12.099 1.016 -4.922 1.00 11.02 C ATOM 64 CD GLU A 5 -13.132 1.196 -3.801 1.00 40.54 C ATOM 65 OE1 GLU A 5 -13.502 2.351 -3.504 1.00 52.21 O ATOM 66 OE2 GLU A 5 -13.553 0.190 -3.187 1.00 55.31 O ATOM 0 H GLU A 5 -10.193 -0.903 -5.461 1.00 22.12 H new ATOM 0 HA GLU A 5 -9.797 1.754 -6.395 1.00 12.11 H new ATOM 0 HB2 GLU A 5 -10.433 0.670 -3.607 1.00 53.30 H new ATOM 0 HB3 GLU A 5 -10.618 2.341 -4.101 1.00 53.30 H new ATOM 0 HG2 GLU A 5 -12.351 1.675 -5.753 1.00 11.02 H new ATOM 0 HG3 GLU A 5 -12.151 -0.006 -5.299 1.00 11.02 H new ATOM 73 N LEU A 6 -7.536 0.547 -4.328 1.00 72.53 N ATOM 74 CA LEU A 6 -6.178 0.706 -3.778 1.00 52.23 C ATOM 75 C LEU A 6 -5.178 0.961 -4.919 1.00 64.33 C ATOM 76 O LEU A 6 -4.353 1.874 -4.842 1.00 0.22 O ATOM 77 CB LEU A 6 -5.786 -0.565 -2.973 1.00 24.02 C ATOM 78 CG LEU A 6 -4.345 -0.599 -2.360 1.00 64.32 C ATOM 79 CD1 LEU A 6 -4.104 0.555 -1.356 1.00 32.33 C ATOM 80 CD2 LEU A 6 -4.058 -1.974 -1.720 1.00 14.21 C ATOM 0 H LEU A 6 -7.933 -0.378 -4.161 1.00 72.53 H new ATOM 0 HA LEU A 6 -6.156 1.563 -3.105 1.00 52.23 H new ATOM 0 HB2 LEU A 6 -6.503 -0.687 -2.161 1.00 24.02 H new ATOM 0 HB3 LEU A 6 -5.896 -1.429 -3.628 1.00 24.02 H new ATOM 0 HG LEU A 6 -3.641 -0.448 -3.178 1.00 64.32 H new ATOM 0 HD11 LEU A 6 -3.091 0.487 -0.960 1.00 32.33 H new ATOM 0 HD12 LEU A 6 -4.231 1.511 -1.863 1.00 32.33 H new ATOM 0 HD13 LEU A 6 -4.820 0.480 -0.537 1.00 32.33 H new ATOM 0 HD21 LEU A 6 -3.052 -1.977 -1.300 1.00 14.21 H new ATOM 0 HD22 LEU A 6 -4.782 -2.165 -0.928 1.00 14.21 H new ATOM 0 HD23 LEU A 6 -4.136 -2.752 -2.479 1.00 14.21 H new ATOM 92 N ARG A 7 -5.303 0.160 -5.995 1.00 11.02 N ATOM 93 CA ARG A 7 -4.468 0.283 -7.203 1.00 32.32 C ATOM 94 C ARG A 7 -4.762 1.598 -7.932 1.00 73.25 C ATOM 95 O ARG A 7 -3.842 2.289 -8.358 1.00 44.02 O ATOM 96 CB ARG A 7 -4.718 -0.909 -8.156 1.00 65.31 C ATOM 97 CG ARG A 7 -3.830 -0.918 -9.417 1.00 31.35 C ATOM 98 CD ARG A 7 -4.142 -2.092 -10.358 1.00 4.44 C ATOM 99 NE ARG A 7 -3.298 -2.065 -11.552 1.00 33.32 N ATOM 100 CZ ARG A 7 -3.125 -3.083 -12.399 1.00 4.12 C ATOM 101 NH1 ARG A 7 -3.734 -4.256 -12.210 1.00 42.23 N ATOM 102 NH2 ARG A 7 -2.324 -2.921 -13.428 1.00 2.43 N ATOM 0 H ARG A 7 -5.989 -0.593 -6.050 1.00 11.02 H new ATOM 0 HA ARG A 7 -3.423 0.278 -6.894 1.00 32.32 H new ATOM 0 HB2 ARG A 7 -4.557 -1.837 -7.607 1.00 65.31 H new ATOM 0 HB3 ARG A 7 -5.764 -0.899 -8.464 1.00 65.31 H new ATOM 0 HG2 ARG A 7 -3.964 0.019 -9.957 1.00 31.35 H new ATOM 0 HG3 ARG A 7 -2.783 -0.967 -9.118 1.00 31.35 H new ATOM 0 HD2 ARG A 7 -3.993 -3.033 -9.828 1.00 4.44 H new ATOM 0 HD3 ARG A 7 -5.191 -2.054 -10.652 1.00 4.44 H new ATOM 0 HE ARG A 7 -2.801 -1.198 -11.754 1.00 33.32 H new ATOM 0 HH11 ARG A 7 -4.347 -4.389 -11.405 1.00 42.23 H new ATOM 0 HH12 ARG A 7 -3.587 -5.019 -12.870 1.00 42.23 H new ATOM 0 HH21 ARG A 7 -1.848 -2.030 -13.568 1.00 2.43 H new ATOM 0 HH22 ARG A 7 -2.178 -3.686 -14.086 1.00 2.43 H new ATOM 116 N GLN A 8 -6.062 1.941 -8.040 1.00 74.51 N ATOM 117 CA GLN A 8 -6.529 3.162 -8.726 1.00 14.20 C ATOM 118 C GLN A 8 -6.053 4.425 -7.999 1.00 74.33 C ATOM 119 O GLN A 8 -5.907 5.472 -8.618 1.00 45.13 O ATOM 120 CB GLN A 8 -8.080 3.167 -8.856 1.00 63.13 C ATOM 121 CG GLN A 8 -8.650 2.201 -9.917 1.00 64.31 C ATOM 122 CD GLN A 8 -8.246 2.535 -11.364 1.00 52.42 C ATOM 123 OE1 GLN A 8 -8.116 3.815 -11.695 1.00 33.02 O flip ATOM 124 NE2 GLN A 8 -8.096 1.643 -12.199 1.00 3.53 N flip ATOM 0 H GLN A 8 -6.819 1.377 -7.653 1.00 74.51 H new ATOM 0 HA GLN A 8 -6.097 3.162 -9.727 1.00 14.20 H new ATOM 0 HB2 GLN A 8 -8.511 2.914 -7.887 1.00 63.13 H new ATOM 0 HB3 GLN A 8 -8.406 4.179 -9.096 1.00 63.13 H new ATOM 0 HG2 GLN A 8 -8.318 1.189 -9.685 1.00 64.31 H new ATOM 0 HG3 GLN A 8 -9.738 2.204 -9.847 1.00 64.31 H new ATOM 0 HE21 GLN A 8 -8.200 0.666 -11.926 1.00 3.53 H new ATOM 0 HE22 GLN A 8 -7.868 1.881 -13.164 1.00 3.53 H new ATOM 133 N LEU A 9 -5.825 4.303 -6.681 1.00 64.11 N ATOM 134 CA LEU A 9 -5.250 5.375 -5.846 1.00 40.13 C ATOM 135 C LEU A 9 -3.774 5.622 -6.237 1.00 33.24 C ATOM 136 O LEU A 9 -3.315 6.764 -6.278 1.00 2.43 O ATOM 137 CB LEU A 9 -5.367 4.973 -4.349 1.00 12.01 C ATOM 138 CG LEU A 9 -4.894 6.024 -3.295 1.00 43.40 C ATOM 139 CD1 LEU A 9 -5.760 7.304 -3.327 1.00 52.24 C ATOM 140 CD2 LEU A 9 -4.857 5.405 -1.882 1.00 30.54 C ATOM 0 H LEU A 9 -6.035 3.452 -6.159 1.00 64.11 H new ATOM 0 HA LEU A 9 -5.800 6.302 -6.008 1.00 40.13 H new ATOM 0 HB2 LEU A 9 -6.410 4.732 -4.143 1.00 12.01 H new ATOM 0 HB3 LEU A 9 -4.793 4.059 -4.198 1.00 12.01 H new ATOM 0 HG LEU A 9 -3.880 6.321 -3.561 1.00 43.40 H new ATOM 0 HD11 LEU A 9 -5.397 8.008 -2.578 1.00 52.24 H new ATOM 0 HD12 LEU A 9 -5.698 7.761 -4.315 1.00 52.24 H new ATOM 0 HD13 LEU A 9 -6.797 7.047 -3.110 1.00 52.24 H new ATOM 0 HD21 LEU A 9 -4.525 6.155 -1.165 1.00 30.54 H new ATOM 0 HD22 LEU A 9 -5.854 5.059 -1.610 1.00 30.54 H new ATOM 0 HD23 LEU A 9 -4.166 4.562 -1.872 1.00 30.54 H new ATOM 152 N LEU A 10 -3.058 4.526 -6.558 1.00 34.41 N ATOM 153 CA LEU A 10 -1.643 4.568 -6.997 1.00 60.35 C ATOM 154 C LEU A 10 -1.558 5.078 -8.455 1.00 21.10 C ATOM 155 O LEU A 10 -0.622 5.791 -8.827 1.00 34.43 O ATOM 156 CB LEU A 10 -0.996 3.151 -6.885 1.00 4.52 C ATOM 157 CG LEU A 10 -1.265 2.366 -5.561 1.00 72.31 C ATOM 158 CD1 LEU A 10 -0.609 0.970 -5.591 1.00 62.35 C ATOM 159 CD2 LEU A 10 -0.829 3.169 -4.316 1.00 11.14 C ATOM 0 H LEU A 10 -3.443 3.582 -6.521 1.00 34.41 H new ATOM 0 HA LEU A 10 -1.095 5.252 -6.349 1.00 60.35 H new ATOM 0 HB2 LEU A 10 -1.352 2.546 -7.719 1.00 4.52 H new ATOM 0 HB3 LEU A 10 0.082 3.257 -7.006 1.00 4.52 H new ATOM 0 HG LEU A 10 -2.343 2.222 -5.487 1.00 72.31 H new ATOM 0 HD11 LEU A 10 -0.815 0.451 -4.655 1.00 62.35 H new ATOM 0 HD12 LEU A 10 -1.016 0.395 -6.423 1.00 62.35 H new ATOM 0 HD13 LEU A 10 0.468 1.077 -5.716 1.00 62.35 H new ATOM 0 HD21 LEU A 10 -1.034 2.587 -3.418 1.00 11.14 H new ATOM 0 HD22 LEU A 10 0.238 3.381 -4.375 1.00 11.14 H new ATOM 0 HD23 LEU A 10 -1.384 4.106 -4.275 1.00 11.14 H new ATOM 171 N LEU A 11 -2.576 4.701 -9.258 1.00 41.33 N ATOM 172 CA LEU A 11 -2.707 5.098 -10.678 1.00 12.02 C ATOM 173 C LEU A 11 -3.125 6.572 -10.798 1.00 62.25 C ATOM 174 O LEU A 11 -2.778 7.252 -11.763 1.00 51.23 O ATOM 175 CB LEU A 11 -3.742 4.188 -11.404 1.00 62.43 C ATOM 176 CG LEU A 11 -3.373 2.674 -11.490 1.00 51.12 C ATOM 177 CD1 LEU A 11 -4.505 1.844 -12.129 1.00 34.23 C ATOM 178 CD2 LEU A 11 -2.049 2.472 -12.238 1.00 41.53 C ATOM 0 H LEU A 11 -3.339 4.106 -8.936 1.00 41.33 H new ATOM 0 HA LEU A 11 -1.734 4.976 -11.154 1.00 12.02 H new ATOM 0 HB2 LEU A 11 -4.700 4.281 -10.893 1.00 62.43 H new ATOM 0 HB3 LEU A 11 -3.883 4.566 -12.416 1.00 62.43 H new ATOM 0 HG LEU A 11 -3.244 2.312 -10.470 1.00 51.12 H new ATOM 0 HD11 LEU A 11 -4.209 0.796 -12.170 1.00 34.23 H new ATOM 0 HD12 LEU A 11 -5.410 1.942 -11.530 1.00 34.23 H new ATOM 0 HD13 LEU A 11 -4.697 2.207 -13.139 1.00 34.23 H new ATOM 0 HD21 LEU A 11 -1.815 1.408 -12.284 1.00 41.53 H new ATOM 0 HD22 LEU A 11 -2.139 2.867 -13.250 1.00 41.53 H new ATOM 0 HD23 LEU A 11 -1.251 2.997 -11.713 1.00 41.53 H new ATOM 190 N ASP A 12 -3.882 7.045 -9.808 1.00 74.24 N ATOM 191 CA ASP A 12 -4.341 8.437 -9.737 1.00 12.53 C ATOM 192 C ASP A 12 -3.191 9.342 -9.289 1.00 41.21 C ATOM 193 O ASP A 12 -2.921 10.372 -9.907 1.00 71.22 O ATOM 194 CB ASP A 12 -5.546 8.557 -8.763 1.00 41.44 C ATOM 195 CG ASP A 12 -6.023 10.005 -8.548 1.00 52.14 C ATOM 196 OD1 ASP A 12 -6.444 10.656 -9.534 1.00 3.23 O ATOM 197 OD2 ASP A 12 -5.991 10.499 -7.399 1.00 41.41 O ATOM 0 H ASP A 12 -4.198 6.471 -9.026 1.00 74.24 H new ATOM 0 HA ASP A 12 -4.669 8.755 -10.727 1.00 12.53 H new ATOM 0 HB2 ASP A 12 -6.375 7.964 -9.149 1.00 41.44 H new ATOM 0 HB3 ASP A 12 -5.268 8.128 -7.800 1.00 41.44 H new ATOM 202 N LYS A 13 -2.505 8.911 -8.221 1.00 42.05 N ATOM 203 CA LYS A 13 -1.473 9.712 -7.553 1.00 33.44 C ATOM 204 C LYS A 13 -0.157 9.745 -8.354 1.00 55.45 C ATOM 205 O LYS A 13 0.304 10.817 -8.770 1.00 0.02 O ATOM 206 CB LYS A 13 -1.210 9.171 -6.123 1.00 72.12 C ATOM 207 CG LYS A 13 -0.208 10.012 -5.306 1.00 32.25 C ATOM 208 CD LYS A 13 -0.701 11.451 -5.067 1.00 4.25 C ATOM 209 CE LYS A 13 0.348 12.332 -4.388 1.00 64.02 C ATOM 210 NZ LYS A 13 -0.181 13.699 -4.114 1.00 23.12 N ATOM 0 H LYS A 13 -2.651 7.995 -7.796 1.00 42.05 H new ATOM 0 HA LYS A 13 -1.848 10.734 -7.491 1.00 33.44 H new ATOM 0 HB2 LYS A 13 -2.156 9.127 -5.583 1.00 72.12 H new ATOM 0 HB3 LYS A 13 -0.836 8.150 -6.196 1.00 72.12 H new ATOM 0 HG2 LYS A 13 -0.031 9.528 -4.345 1.00 32.25 H new ATOM 0 HG3 LYS A 13 0.748 10.041 -5.829 1.00 32.25 H new ATOM 0 HD2 LYS A 13 -0.981 11.897 -6.021 1.00 4.25 H new ATOM 0 HD3 LYS A 13 -1.600 11.425 -4.451 1.00 4.25 H new ATOM 0 HE2 LYS A 13 0.664 11.869 -3.453 1.00 64.02 H new ATOM 0 HE3 LYS A 13 1.231 12.403 -5.023 1.00 64.02 H new ATOM 0 HZ1 LYS A 13 0.294 14.094 -3.277 1.00 23.12 H new ATOM 0 HZ2 LYS A 13 -0.002 14.312 -4.935 1.00 23.12 H new ATOM 0 HZ3 LYS A 13 -1.205 13.646 -3.938 1.00 23.12 H new ATOM 224 N TRP A 14 0.459 8.566 -8.539 1.00 61.34 N ATOM 225 CA TRP A 14 1.798 8.453 -9.152 1.00 34.42 C ATOM 226 C TRP A 14 1.723 7.905 -10.595 1.00 14.32 C ATOM 227 O TRP A 14 2.713 7.950 -11.334 1.00 75.24 O ATOM 228 CB TRP A 14 2.697 7.555 -8.276 1.00 14.41 C ATOM 229 CG TRP A 14 2.839 8.002 -6.834 1.00 62.21 C ATOM 230 CD1 TRP A 14 3.276 9.218 -6.388 1.00 62.54 C ATOM 231 CD2 TRP A 14 2.559 7.228 -5.656 1.00 35.31 C ATOM 232 NE1 TRP A 14 3.284 9.244 -5.015 1.00 73.14 N ATOM 233 CE2 TRP A 14 2.846 8.036 -4.542 1.00 44.32 C ATOM 234 CE3 TRP A 14 2.092 5.929 -5.438 1.00 25.23 C ATOM 235 CZ2 TRP A 14 2.684 7.592 -3.230 1.00 61.24 C ATOM 236 CZ3 TRP A 14 1.936 5.491 -4.137 1.00 55.04 C ATOM 237 CH2 TRP A 14 2.230 6.318 -3.049 1.00 10.30 C ATOM 0 H TRP A 14 0.050 7.671 -8.272 1.00 61.34 H new ATOM 0 HA TRP A 14 2.231 9.452 -9.209 1.00 34.42 H new ATOM 0 HB2 TRP A 14 2.295 6.542 -8.289 1.00 14.41 H new ATOM 0 HB3 TRP A 14 3.689 7.510 -8.726 1.00 14.41 H new ATOM 0 HD1 TRP A 14 3.572 10.039 -7.024 1.00 62.54 H new ATOM 0 HE1 TRP A 14 3.570 10.036 -4.440 1.00 73.14 H new ATOM 0 HE3 TRP A 14 1.858 5.281 -6.270 1.00 25.23 H new ATOM 0 HZ2 TRP A 14 2.909 8.232 -2.390 1.00 61.24 H new ATOM 0 HZ3 TRP A 14 1.579 4.488 -3.957 1.00 55.04 H new ATOM 0 HH2 TRP A 14 2.095 5.941 -2.046 1.00 10.30 H new ATOM 248 N GLY A 15 0.549 7.364 -10.971 1.00 22.35 N ATOM 249 CA GLY A 15 0.285 6.925 -12.349 1.00 62.04 C ATOM 250 C GLY A 15 0.813 5.539 -12.696 1.00 3.45 C ATOM 251 O GLY A 15 0.857 5.175 -13.879 1.00 3.51 O ATOM 0 H GLY A 15 -0.234 7.221 -10.333 1.00 22.35 H new ATOM 0 HA2 GLY A 15 -0.792 6.940 -12.519 1.00 62.04 H new ATOM 0 HA3 GLY A 15 0.726 7.648 -13.035 1.00 62.04 H new ATOM 255 N TYR A 16 1.197 4.754 -11.675 1.00 12.13 N ATOM 256 CA TYR A 16 1.780 3.404 -11.865 1.00 3.11 C ATOM 257 C TYR A 16 1.204 2.423 -10.845 1.00 65.12 C ATOM 258 O TYR A 16 0.837 2.816 -9.726 1.00 71.14 O ATOM 259 CB TYR A 16 3.323 3.423 -11.740 1.00 21.43 C ATOM 260 CG TYR A 16 4.049 4.217 -12.828 1.00 71.00 C ATOM 261 CD1 TYR A 16 4.223 3.682 -14.104 1.00 43.11 C ATOM 262 CD2 TYR A 16 4.562 5.494 -12.583 1.00 25.34 C ATOM 263 CE1 TYR A 16 4.881 4.386 -15.095 1.00 42.14 C ATOM 264 CE2 TYR A 16 5.221 6.202 -13.573 1.00 21.02 C ATOM 265 CZ TYR A 16 5.376 5.644 -14.824 1.00 35.14 C ATOM 266 OH TYR A 16 6.037 6.349 -15.812 1.00 11.24 O ATOM 0 H TYR A 16 1.115 5.031 -10.697 1.00 12.13 H new ATOM 0 HA TYR A 16 1.520 3.081 -12.873 1.00 3.11 H new ATOM 0 HB2 TYR A 16 3.589 3.839 -10.768 1.00 21.43 H new ATOM 0 HB3 TYR A 16 3.687 2.396 -11.757 1.00 21.43 H new ATOM 0 HD1 TYR A 16 3.836 2.698 -14.322 1.00 43.11 H new ATOM 0 HD2 TYR A 16 4.442 5.936 -11.605 1.00 25.34 H new ATOM 0 HE1 TYR A 16 5.007 3.953 -16.076 1.00 42.14 H new ATOM 0 HE2 TYR A 16 5.612 7.187 -13.366 1.00 21.02 H new ATOM 0 HH TYR A 16 6.322 7.218 -15.459 1.00 11.24 H new ATOM 276 N SER A 17 1.141 1.144 -11.245 1.00 35.31 N ATOM 277 CA SER A 17 0.616 0.062 -10.413 1.00 24.23 C ATOM 278 C SER A 17 1.736 -0.487 -9.504 1.00 65.04 C ATOM 279 O SER A 17 2.244 -1.591 -9.726 1.00 71.31 O ATOM 280 CB SER A 17 0.029 -1.050 -11.318 1.00 31.35 C ATOM 281 OG SER A 17 -0.912 -0.530 -12.240 1.00 41.23 O ATOM 0 H SER A 17 1.457 0.834 -12.164 1.00 35.31 H new ATOM 0 HA SER A 17 -0.183 0.440 -9.775 1.00 24.23 H new ATOM 0 HB2 SER A 17 0.836 -1.543 -11.860 1.00 31.35 H new ATOM 0 HB3 SER A 17 -0.449 -1.809 -10.699 1.00 31.35 H new ATOM 0 HG SER A 17 -0.443 -0.193 -13.031 1.00 41.23 H new ATOM 287 N TYR A 18 2.133 0.307 -8.493 1.00 14.12 N ATOM 288 CA TYR A 18 3.189 -0.077 -7.534 1.00 15.52 C ATOM 289 C TYR A 18 2.712 -1.200 -6.600 1.00 40.42 C ATOM 290 O TYR A 18 1.534 -1.256 -6.241 1.00 55.33 O ATOM 291 CB TYR A 18 3.628 1.136 -6.682 1.00 0.52 C ATOM 292 CG TYR A 18 4.305 2.269 -7.463 1.00 32.23 C ATOM 293 CD1 TYR A 18 5.645 2.180 -7.843 1.00 30.10 C ATOM 294 CD2 TYR A 18 3.615 3.432 -7.791 1.00 63.31 C ATOM 295 CE1 TYR A 18 6.267 3.209 -8.521 1.00 25.42 C ATOM 296 CE2 TYR A 18 4.236 4.456 -8.472 1.00 60.11 C ATOM 297 CZ TYR A 18 5.555 4.344 -8.835 1.00 34.02 C ATOM 298 OH TYR A 18 6.166 5.378 -9.513 1.00 11.22 O ATOM 0 H TYR A 18 1.734 1.229 -8.317 1.00 14.12 H new ATOM 0 HA TYR A 18 4.037 -0.436 -8.117 1.00 15.52 H new ATOM 0 HB2 TYR A 18 2.752 1.539 -6.173 1.00 0.52 H new ATOM 0 HB3 TYR A 18 4.313 0.788 -5.909 1.00 0.52 H new ATOM 0 HD1 TYR A 18 6.206 1.289 -7.602 1.00 30.10 H new ATOM 0 HD2 TYR A 18 2.578 3.533 -7.508 1.00 63.31 H new ATOM 0 HE1 TYR A 18 7.306 3.124 -8.803 1.00 25.42 H new ATOM 0 HE2 TYR A 18 3.683 5.350 -8.721 1.00 60.11 H new ATOM 0 HH TYR A 18 5.853 5.391 -10.442 1.00 11.22 H new ATOM 308 N ASP A 19 3.635 -2.084 -6.205 1.00 3.23 N ATOM 309 CA ASP A 19 3.349 -3.117 -5.202 1.00 3.10 C ATOM 310 C ASP A 19 3.327 -2.465 -3.816 1.00 53.42 C ATOM 311 O ASP A 19 4.168 -1.618 -3.521 1.00 53.45 O ATOM 312 CB ASP A 19 4.408 -4.242 -5.250 1.00 41.25 C ATOM 313 CG ASP A 19 3.981 -5.491 -4.453 1.00 15.33 C ATOM 314 OD1 ASP A 19 4.255 -5.570 -3.226 1.00 1.24 O ATOM 315 OD2 ASP A 19 3.338 -6.393 -5.045 1.00 52.15 O ATOM 0 H ASP A 19 4.589 -2.105 -6.565 1.00 3.23 H new ATOM 0 HA ASP A 19 2.379 -3.567 -5.415 1.00 3.10 H new ATOM 0 HB2 ASP A 19 4.589 -4.522 -6.288 1.00 41.25 H new ATOM 0 HB3 ASP A 19 5.351 -3.866 -4.852 1.00 41.25 H new ATOM 320 N VAL A 20 2.357 -2.834 -2.985 1.00 72.52 N ATOM 321 CA VAL A 20 2.254 -2.322 -1.607 1.00 62.50 C ATOM 322 C VAL A 20 2.488 -3.486 -0.621 1.00 63.11 C ATOM 323 O VAL A 20 1.786 -4.496 -0.664 1.00 12.11 O ATOM 324 CB VAL A 20 0.859 -1.619 -1.371 1.00 11.23 C ATOM 325 CG1 VAL A 20 0.805 -0.236 -2.069 1.00 12.55 C ATOM 326 CG2 VAL A 20 -0.321 -2.507 -1.841 1.00 63.44 C ATOM 0 H VAL A 20 1.620 -3.492 -3.238 1.00 72.52 H new ATOM 0 HA VAL A 20 3.018 -1.563 -1.437 1.00 62.50 H new ATOM 0 HB VAL A 20 0.756 -1.469 -0.296 1.00 11.23 H new ATOM 0 HG11 VAL A 20 -0.167 0.224 -1.889 1.00 12.55 H new ATOM 0 HG12 VAL A 20 1.590 0.405 -1.668 1.00 12.55 H new ATOM 0 HG13 VAL A 20 0.953 -0.364 -3.141 1.00 12.55 H new ATOM 0 HG21 VAL A 20 -1.262 -1.987 -1.661 1.00 63.44 H new ATOM 0 HG22 VAL A 20 -0.219 -2.714 -2.906 1.00 63.44 H new ATOM 0 HG23 VAL A 20 -0.313 -3.445 -1.287 1.00 63.44 H new ATOM 336 N GLN A 21 3.466 -3.318 0.278 1.00 34.33 N ATOM 337 CA GLN A 21 3.969 -4.403 1.154 1.00 21.02 C ATOM 338 C GLN A 21 3.720 -4.071 2.625 1.00 63.53 C ATOM 339 O GLN A 21 4.080 -2.994 3.087 1.00 33.32 O ATOM 340 CB GLN A 21 5.502 -4.602 0.950 1.00 52.22 C ATOM 341 CG GLN A 21 6.133 -5.677 1.880 1.00 35.33 C ATOM 342 CD GLN A 21 7.664 -5.659 1.963 1.00 43.44 C ATOM 343 OE1 GLN A 21 8.297 -6.701 2.157 1.00 3.20 O ATOM 344 NE2 GLN A 21 8.271 -4.479 1.894 1.00 34.10 N ATOM 0 H GLN A 21 3.937 -2.425 0.425 1.00 34.33 H new ATOM 0 HA GLN A 21 3.435 -5.315 0.887 1.00 21.02 H new ATOM 0 HB2 GLN A 21 5.686 -4.881 -0.087 1.00 52.22 H new ATOM 0 HB3 GLN A 21 6.006 -3.650 1.118 1.00 52.22 H new ATOM 0 HG2 GLN A 21 5.730 -5.546 2.884 1.00 35.33 H new ATOM 0 HG3 GLN A 21 5.816 -6.662 1.536 1.00 35.33 H new ATOM 0 HE21 GLN A 21 7.724 -3.633 1.733 1.00 34.10 H new ATOM 0 HE22 GLN A 21 9.283 -4.419 2.002 1.00 34.10 H new ATOM 353 N PHE A 22 3.123 -5.014 3.357 1.00 54.54 N ATOM 354 CA PHE A 22 3.066 -4.958 4.822 1.00 65.41 C ATOM 355 C PHE A 22 4.436 -5.309 5.421 1.00 55.41 C ATOM 356 O PHE A 22 5.037 -6.337 5.068 1.00 24.31 O ATOM 357 CB PHE A 22 1.979 -5.918 5.367 1.00 45.33 C ATOM 358 CG PHE A 22 0.556 -5.420 5.146 1.00 34.35 C ATOM 359 CD1 PHE A 22 0.174 -4.157 5.607 1.00 55.13 C ATOM 360 CD2 PHE A 22 -0.396 -6.205 4.508 1.00 63.35 C ATOM 361 CE1 PHE A 22 -1.113 -3.700 5.434 1.00 21.43 C ATOM 362 CE2 PHE A 22 -1.680 -5.744 4.336 1.00 71.41 C ATOM 363 CZ PHE A 22 -2.039 -4.494 4.798 1.00 53.42 C ATOM 0 H PHE A 22 2.668 -5.834 2.956 1.00 54.54 H new ATOM 0 HA PHE A 22 2.803 -3.942 5.116 1.00 65.41 H new ATOM 0 HB2 PHE A 22 2.093 -6.891 4.888 1.00 45.33 H new ATOM 0 HB3 PHE A 22 2.141 -6.067 6.435 1.00 45.33 H new ATOM 0 HD1 PHE A 22 0.899 -3.531 6.106 1.00 55.13 H new ATOM 0 HD2 PHE A 22 -0.126 -7.185 4.144 1.00 63.35 H new ATOM 0 HE1 PHE A 22 -1.395 -2.722 5.796 1.00 21.43 H new ATOM 0 HE2 PHE A 22 -2.411 -6.363 3.837 1.00 71.41 H new ATOM 0 HZ PHE A 22 -3.049 -4.138 4.660 1.00 53.42 H new ATOM 373 N ARG A 23 4.922 -4.450 6.320 1.00 32.13 N ATOM 374 CA ARG A 23 6.211 -4.640 6.991 1.00 4.10 C ATOM 375 C ARG A 23 6.021 -4.360 8.486 1.00 12.24 C ATOM 376 O ARG A 23 5.641 -3.246 8.871 1.00 21.43 O ATOM 377 CB ARG A 23 7.296 -3.710 6.373 1.00 34.42 C ATOM 378 CG ARG A 23 8.746 -4.217 6.570 1.00 22.13 C ATOM 379 CD ARG A 23 9.019 -5.514 5.773 1.00 31.14 C ATOM 380 NE ARG A 23 10.318 -6.126 6.101 1.00 53.23 N ATOM 381 CZ ARG A 23 10.962 -7.023 5.331 1.00 22.31 C ATOM 382 NH1 ARG A 23 10.448 -7.426 4.164 1.00 24.34 N ATOM 383 NH2 ARG A 23 12.109 -7.539 5.746 1.00 14.51 N ATOM 0 H ARG A 23 4.432 -3.601 6.604 1.00 32.13 H new ATOM 0 HA ARG A 23 6.556 -5.665 6.855 1.00 4.10 H new ATOM 0 HB2 ARG A 23 7.102 -3.601 5.306 1.00 34.42 H new ATOM 0 HB3 ARG A 23 7.205 -2.718 6.816 1.00 34.42 H new ATOM 0 HG2 ARG A 23 9.447 -3.444 6.255 1.00 22.13 H new ATOM 0 HG3 ARG A 23 8.926 -4.398 7.630 1.00 22.13 H new ATOM 0 HD2 ARG A 23 8.224 -6.232 5.974 1.00 31.14 H new ATOM 0 HD3 ARG A 23 8.986 -5.293 4.706 1.00 31.14 H new ATOM 0 HE ARG A 23 10.763 -5.850 6.976 1.00 53.23 H new ATOM 0 HH11 ARG A 23 9.554 -7.053 3.844 1.00 24.34 H new ATOM 0 HH12 ARG A 23 10.950 -8.106 3.593 1.00 24.34 H new ATOM 0 HH21 ARG A 23 12.500 -7.256 6.645 1.00 14.51 H new ATOM 0 HH22 ARG A 23 12.601 -8.219 5.167 1.00 14.51 H new ATOM 397 N ARG A 24 6.262 -5.380 9.314 1.00 11.43 N ATOM 398 CA ARG A 24 5.989 -5.329 10.757 1.00 24.11 C ATOM 399 C ARG A 24 7.272 -5.026 11.542 1.00 23.30 C ATOM 400 O ARG A 24 8.201 -5.839 11.562 1.00 73.52 O ATOM 401 CB ARG A 24 5.372 -6.674 11.217 1.00 62.12 C ATOM 402 CG ARG A 24 4.109 -7.090 10.426 1.00 63.32 C ATOM 403 CD ARG A 24 3.374 -8.277 11.059 1.00 70.35 C ATOM 404 NE ARG A 24 2.940 -7.964 12.429 1.00 54.12 N ATOM 405 CZ ARG A 24 1.759 -8.288 12.975 1.00 31.24 C ATOM 406 NH1 ARG A 24 0.828 -8.950 12.278 1.00 41.21 N ATOM 407 NH2 ARG A 24 1.512 -7.924 14.227 1.00 12.45 N ATOM 0 H ARG A 24 6.654 -6.269 9.003 1.00 11.43 H new ATOM 0 HA ARG A 24 5.279 -4.526 10.955 1.00 24.11 H new ATOM 0 HB2 ARG A 24 6.123 -7.458 11.121 1.00 62.12 H new ATOM 0 HB3 ARG A 24 5.119 -6.603 12.275 1.00 62.12 H new ATOM 0 HG2 ARG A 24 3.430 -6.240 10.363 1.00 63.32 H new ATOM 0 HG3 ARG A 24 4.394 -7.347 9.406 1.00 63.32 H new ATOM 0 HD2 ARG A 24 2.508 -8.538 10.451 1.00 70.35 H new ATOM 0 HD3 ARG A 24 4.029 -9.148 11.072 1.00 70.35 H new ATOM 0 HE ARG A 24 3.598 -7.453 13.018 1.00 54.12 H new ATOM 0 HH11 ARG A 24 1.010 -9.219 11.311 1.00 41.21 H new ATOM 0 HH12 ARG A 24 -0.063 -9.186 12.714 1.00 41.21 H new ATOM 0 HH21 ARG A 24 2.215 -7.407 14.756 1.00 12.45 H new ATOM 0 HH22 ARG A 24 0.620 -8.161 14.660 1.00 12.45 H new ATOM 421 N THR A 25 7.319 -3.849 12.173 1.00 42.14 N ATOM 422 CA THR A 25 8.434 -3.447 13.047 1.00 60.04 C ATOM 423 C THR A 25 7.873 -2.730 14.290 1.00 42.31 C ATOM 424 O THR A 25 6.897 -1.978 14.182 1.00 11.45 O ATOM 425 CB THR A 25 9.497 -2.551 12.294 1.00 42.24 C ATOM 426 OG1 THR A 25 10.611 -2.259 13.157 1.00 52.14 O ATOM 427 CG2 THR A 25 8.915 -1.235 11.766 1.00 21.20 C ATOM 0 H THR A 25 6.586 -3.144 12.094 1.00 42.14 H new ATOM 0 HA THR A 25 8.966 -4.346 13.358 1.00 60.04 H new ATOM 0 HB THR A 25 9.824 -3.134 11.433 1.00 42.24 H new ATOM 0 HG1 THR A 25 11.261 -1.705 12.676 1.00 52.14 H new ATOM 0 HG21 THR A 25 9.697 -0.668 11.260 1.00 21.20 H new ATOM 0 HG22 THR A 25 8.110 -1.449 11.063 1.00 21.20 H new ATOM 0 HG23 THR A 25 8.524 -0.650 12.599 1.00 21.20 H new ATOM 435 N GLN A 26 8.480 -3.026 15.469 1.00 70.14 N ATOM 436 CA GLN A 26 8.143 -2.420 16.794 1.00 3.12 C ATOM 437 C GLN A 26 6.768 -2.896 17.319 1.00 11.42 C ATOM 438 O GLN A 26 6.204 -2.290 18.239 1.00 43.32 O ATOM 439 CB GLN A 26 8.197 -0.852 16.762 1.00 64.01 C ATOM 440 CG GLN A 26 9.398 -0.232 16.014 1.00 64.23 C ATOM 441 CD GLN A 26 10.772 -0.701 16.495 1.00 30.53 C ATOM 442 OE1 GLN A 26 10.972 -1.016 17.665 1.00 64.41 O ATOM 443 NE2 GLN A 26 11.733 -0.742 15.583 1.00 2.34 N ATOM 0 H GLN A 26 9.236 -3.708 15.531 1.00 70.14 H new ATOM 0 HA GLN A 26 8.910 -2.769 17.485 1.00 3.12 H new ATOM 0 HB2 GLN A 26 7.279 -0.486 16.302 1.00 64.01 H new ATOM 0 HB3 GLN A 26 8.206 -0.487 17.789 1.00 64.01 H new ATOM 0 HG2 GLN A 26 9.304 -0.462 14.953 1.00 64.23 H new ATOM 0 HG3 GLN A 26 9.347 0.852 16.111 1.00 64.23 H new ATOM 0 HE21 GLN A 26 11.533 -0.474 14.619 1.00 2.34 H new ATOM 0 HE22 GLN A 26 12.672 -1.042 15.845 1.00 2.34 H new ATOM 452 N GLY A 27 6.258 -4.011 16.751 1.00 4.13 N ATOM 453 CA GLY A 27 4.889 -4.484 17.026 1.00 43.51 C ATOM 454 C GLY A 27 3.843 -3.777 16.167 1.00 25.31 C ATOM 455 O GLY A 27 2.652 -4.110 16.214 1.00 2.42 O ATOM 0 H GLY A 27 6.777 -4.599 16.099 1.00 4.13 H new ATOM 0 HA2 GLY A 27 4.836 -5.558 16.847 1.00 43.51 H new ATOM 0 HA3 GLY A 27 4.658 -4.325 18.079 1.00 43.51 H new ATOM 459 N LYS A 28 4.306 -2.812 15.362 1.00 52.43 N ATOM 460 CA LYS A 28 3.457 -1.930 14.553 1.00 44.24 C ATOM 461 C LYS A 28 3.453 -2.410 13.094 1.00 11.23 C ATOM 462 O LYS A 28 4.316 -3.207 12.691 1.00 20.11 O ATOM 463 CB LYS A 28 4.012 -0.484 14.627 1.00 54.54 C ATOM 464 CG LYS A 28 4.274 0.035 16.057 1.00 25.13 C ATOM 465 CD LYS A 28 5.083 1.357 16.063 1.00 2.43 C ATOM 466 CE LYS A 28 5.380 1.856 17.483 1.00 71.00 C ATOM 467 NZ LYS A 28 4.133 2.178 18.220 1.00 14.53 N ATOM 0 H LYS A 28 5.302 -2.619 15.253 1.00 52.43 H new ATOM 0 HA LYS A 28 2.437 -1.951 14.936 1.00 44.24 H new ATOM 0 HB2 LYS A 28 4.943 -0.438 14.062 1.00 54.54 H new ATOM 0 HB3 LYS A 28 3.307 0.187 14.135 1.00 54.54 H new ATOM 0 HG2 LYS A 28 3.322 0.192 16.565 1.00 25.13 H new ATOM 0 HG3 LYS A 28 4.816 -0.723 16.623 1.00 25.13 H new ATOM 0 HD2 LYS A 28 6.022 1.207 15.530 1.00 2.43 H new ATOM 0 HD3 LYS A 28 4.527 2.122 15.521 1.00 2.43 H new ATOM 0 HE2 LYS A 28 5.939 1.095 18.027 1.00 71.00 H new ATOM 0 HE3 LYS A 28 6.013 2.742 17.433 1.00 71.00 H new ATOM 0 HZ1 LYS A 28 4.372 2.623 19.129 1.00 14.53 H new ATOM 0 HZ2 LYS A 28 3.555 2.833 17.655 1.00 14.53 H new ATOM 0 HZ3 LYS A 28 3.596 1.304 18.393 1.00 14.53 H new ATOM 481 N ILE A 29 2.504 -1.896 12.294 1.00 43.14 N ATOM 482 CA ILE A 29 2.364 -2.266 10.878 1.00 35.42 C ATOM 483 C ILE A 29 2.522 -1.017 9.978 1.00 21.24 C ATOM 484 O ILE A 29 1.927 0.044 10.235 1.00 34.33 O ATOM 485 CB ILE A 29 0.997 -3.014 10.623 1.00 40.03 C ATOM 486 CG1 ILE A 29 0.894 -3.533 9.154 1.00 51.14 C ATOM 487 CG2 ILE A 29 -0.220 -2.144 11.005 1.00 51.35 C ATOM 488 CD1 ILE A 29 1.995 -4.512 8.760 1.00 4.33 C ATOM 0 H ILE A 29 1.815 -1.214 12.611 1.00 43.14 H new ATOM 0 HA ILE A 29 3.160 -2.963 10.616 1.00 35.42 H new ATOM 0 HB ILE A 29 0.983 -3.884 11.280 1.00 40.03 H new ATOM 0 HG12 ILE A 29 -0.073 -4.017 9.018 1.00 51.14 H new ATOM 0 HG13 ILE A 29 0.922 -2.680 8.476 1.00 51.14 H new ATOM 0 HG21 ILE A 29 -1.138 -2.699 10.813 1.00 51.35 H new ATOM 0 HG22 ILE A 29 -0.166 -1.887 12.063 1.00 51.35 H new ATOM 0 HG23 ILE A 29 -0.216 -1.231 10.409 1.00 51.35 H new ATOM 0 HD11 ILE A 29 1.851 -4.824 7.726 1.00 4.33 H new ATOM 0 HD12 ILE A 29 2.966 -4.027 8.861 1.00 4.33 H new ATOM 0 HD13 ILE A 29 1.956 -5.385 9.411 1.00 4.33 H new ATOM 500 N PHE A 30 3.382 -1.151 8.953 1.00 72.53 N ATOM 501 CA PHE A 30 3.729 -0.077 8.002 1.00 2.12 C ATOM 502 C PHE A 30 3.562 -0.597 6.569 1.00 63.13 C ATOM 503 O PHE A 30 4.152 -1.628 6.217 1.00 14.55 O ATOM 504 CB PHE A 30 5.199 0.389 8.223 1.00 25.53 C ATOM 505 CG PHE A 30 5.459 1.010 9.599 1.00 45.50 C ATOM 506 CD1 PHE A 30 5.743 0.210 10.709 1.00 23.03 C ATOM 507 CD2 PHE A 30 5.398 2.390 9.789 1.00 60.35 C ATOM 508 CE1 PHE A 30 5.962 0.771 11.954 1.00 20.33 C ATOM 509 CE2 PHE A 30 5.614 2.946 11.039 1.00 53.20 C ATOM 510 CZ PHE A 30 5.894 2.138 12.119 1.00 11.54 C ATOM 0 H PHE A 30 3.866 -2.027 8.757 1.00 72.53 H new ATOM 0 HA PHE A 30 3.066 0.772 8.166 1.00 2.12 H new ATOM 0 HB2 PHE A 30 5.863 -0.465 8.091 1.00 25.53 H new ATOM 0 HB3 PHE A 30 5.458 1.116 7.453 1.00 25.53 H new ATOM 0 HD1 PHE A 30 5.792 -0.863 10.593 1.00 23.03 H new ATOM 0 HD2 PHE A 30 5.179 3.034 8.950 1.00 60.35 H new ATOM 0 HE1 PHE A 30 6.187 0.137 12.799 1.00 20.33 H new ATOM 0 HE2 PHE A 30 5.563 4.017 11.167 1.00 53.20 H new ATOM 0 HZ PHE A 30 6.060 2.574 13.093 1.00 11.54 H new ATOM 520 N LEU A 31 2.766 0.103 5.746 1.00 33.20 N ATOM 521 CA LEU A 31 2.539 -0.279 4.344 1.00 24.42 C ATOM 522 C LEU A 31 3.573 0.427 3.442 1.00 25.00 C ATOM 523 O LEU A 31 3.397 1.589 3.068 1.00 40.13 O ATOM 524 CB LEU A 31 1.088 0.055 3.889 1.00 61.05 C ATOM 525 CG LEU A 31 0.694 -0.498 2.476 1.00 22.43 C ATOM 526 CD1 LEU A 31 0.716 -2.038 2.463 1.00 31.31 C ATOM 527 CD2 LEU A 31 -0.672 0.048 2.001 1.00 24.04 C ATOM 0 H LEU A 31 2.265 0.944 6.031 1.00 33.20 H new ATOM 0 HA LEU A 31 2.664 -1.358 4.255 1.00 24.42 H new ATOM 0 HB2 LEU A 31 0.391 -0.344 4.626 1.00 61.05 H new ATOM 0 HB3 LEU A 31 0.964 1.138 3.886 1.00 61.05 H new ATOM 0 HG LEU A 31 1.442 -0.142 1.767 1.00 22.43 H new ATOM 0 HD11 LEU A 31 0.439 -2.397 1.472 1.00 31.31 H new ATOM 0 HD12 LEU A 31 1.718 -2.390 2.710 1.00 31.31 H new ATOM 0 HD13 LEU A 31 0.007 -2.418 3.198 1.00 31.31 H new ATOM 0 HD21 LEU A 31 -0.905 -0.361 1.018 1.00 24.04 H new ATOM 0 HD22 LEU A 31 -1.447 -0.245 2.709 1.00 24.04 H new ATOM 0 HD23 LEU A 31 -0.628 1.135 1.941 1.00 24.04 H new ATOM 539 N GLN A 32 4.651 -0.288 3.102 1.00 0.22 N ATOM 540 CA GLN A 32 5.738 0.221 2.260 1.00 72.22 C ATOM 541 C GLN A 32 5.393 0.031 0.778 1.00 54.25 C ATOM 542 O GLN A 32 5.406 -1.101 0.269 1.00 41.40 O ATOM 543 CB GLN A 32 7.049 -0.536 2.575 1.00 4.11 C ATOM 544 CG GLN A 32 7.558 -0.403 4.020 1.00 43.13 C ATOM 545 CD GLN A 32 8.825 -1.226 4.270 1.00 31.33 C ATOM 546 OE1 GLN A 32 9.032 -2.276 3.658 1.00 32.24 O ATOM 547 NE2 GLN A 32 9.677 -0.777 5.169 1.00 43.55 N ATOM 0 H GLN A 32 4.794 -1.250 3.409 1.00 0.22 H new ATOM 0 HA GLN A 32 5.869 1.283 2.468 1.00 72.22 H new ATOM 0 HB2 GLN A 32 6.899 -1.593 2.357 1.00 4.11 H new ATOM 0 HB3 GLN A 32 7.826 -0.178 1.900 1.00 4.11 H new ATOM 0 HG2 GLN A 32 7.761 0.646 4.236 1.00 43.13 H new ATOM 0 HG3 GLN A 32 6.777 -0.725 4.709 1.00 43.13 H new ATOM 0 HE21 GLN A 32 9.485 0.094 5.663 1.00 43.55 H new ATOM 0 HE22 GLN A 32 10.529 -1.301 5.371 1.00 43.55 H new ATOM 556 N VAL A 33 5.071 1.132 0.103 1.00 21.21 N ATOM 557 CA VAL A 33 4.830 1.144 -1.339 1.00 23.33 C ATOM 558 C VAL A 33 6.176 0.979 -2.077 1.00 43.34 C ATOM 559 O VAL A 33 7.014 1.897 -2.064 1.00 12.32 O ATOM 560 CB VAL A 33 4.116 2.464 -1.804 1.00 24.45 C ATOM 561 CG1 VAL A 33 3.729 2.383 -3.295 1.00 74.14 C ATOM 562 CG2 VAL A 33 2.885 2.779 -0.923 1.00 32.23 C ATOM 0 H VAL A 33 4.969 2.047 0.543 1.00 21.21 H new ATOM 0 HA VAL A 33 4.165 0.315 -1.582 1.00 23.33 H new ATOM 0 HB VAL A 33 4.822 3.285 -1.684 1.00 24.45 H new ATOM 0 HG11 VAL A 33 3.236 3.308 -3.594 1.00 74.14 H new ATOM 0 HG12 VAL A 33 4.627 2.239 -3.897 1.00 74.14 H new ATOM 0 HG13 VAL A 33 3.050 1.544 -3.450 1.00 74.14 H new ATOM 0 HG21 VAL A 33 2.414 3.698 -1.271 1.00 32.23 H new ATOM 0 HG22 VAL A 33 2.171 1.958 -0.989 1.00 32.23 H new ATOM 0 HG23 VAL A 33 3.201 2.903 0.113 1.00 32.23 H new ATOM 572 N MET A 34 6.383 -0.218 -2.642 1.00 64.21 N ATOM 573 CA MET A 34 7.578 -0.566 -3.432 1.00 12.51 C ATOM 574 C MET A 34 7.686 0.293 -4.706 1.00 4.31 C ATOM 575 O MET A 34 6.677 0.661 -5.307 1.00 34.15 O ATOM 576 CB MET A 34 7.544 -2.073 -3.824 1.00 63.00 C ATOM 577 CG MET A 34 7.499 -3.072 -2.646 1.00 2.25 C ATOM 578 SD MET A 34 9.034 -3.139 -1.676 1.00 55.33 S ATOM 579 CE MET A 34 8.811 -1.847 -0.446 1.00 5.23 C ATOM 0 H MET A 34 5.716 -0.986 -2.563 1.00 64.21 H new ATOM 0 HA MET A 34 8.451 -0.367 -2.810 1.00 12.51 H new ATOM 0 HB2 MET A 34 6.673 -2.245 -4.456 1.00 63.00 H new ATOM 0 HB3 MET A 34 8.424 -2.292 -4.428 1.00 63.00 H new ATOM 0 HG2 MET A 34 6.675 -2.802 -1.985 1.00 2.25 H new ATOM 0 HG3 MET A 34 7.283 -4.067 -3.035 1.00 2.25 H new ATOM 0 HE1 MET A 34 9.524 -1.043 -0.629 1.00 5.23 H new ATOM 0 HE2 MET A 34 7.797 -1.454 -0.511 1.00 5.23 H new ATOM 0 HE3 MET A 34 8.977 -2.260 0.549 1.00 5.23 H new ATOM 589 N TRP A 35 8.935 0.572 -5.101 1.00 73.31 N ATOM 590 CA TRP A 35 9.274 1.313 -6.335 1.00 11.53 C ATOM 591 C TRP A 35 9.048 0.465 -7.593 1.00 12.22 C ATOM 592 O TRP A 35 9.066 0.990 -8.709 1.00 34.04 O ATOM 593 CB TRP A 35 10.738 1.817 -6.262 1.00 1.20 C ATOM 594 CG TRP A 35 11.753 0.770 -5.845 1.00 51.42 C ATOM 595 CD1 TRP A 35 12.468 -0.068 -6.655 1.00 31.12 C ATOM 596 CD2 TRP A 35 12.153 0.460 -4.499 1.00 21.54 C ATOM 597 NE1 TRP A 35 13.283 -0.871 -5.896 1.00 34.21 N ATOM 598 CE2 TRP A 35 13.110 -0.564 -4.574 1.00 32.14 C ATOM 599 CE3 TRP A 35 11.793 0.956 -3.239 1.00 11.13 C ATOM 600 CZ2 TRP A 35 13.711 -1.103 -3.441 1.00 50.45 C ATOM 601 CZ3 TRP A 35 12.389 0.420 -2.117 1.00 33.52 C ATOM 602 CH2 TRP A 35 13.340 -0.600 -2.222 1.00 31.21 C ATOM 0 H TRP A 35 9.756 0.287 -4.567 1.00 73.31 H new ATOM 0 HA TRP A 35 8.605 2.171 -6.407 1.00 11.53 H new ATOM 0 HB2 TRP A 35 11.022 2.208 -7.239 1.00 1.20 H new ATOM 0 HB3 TRP A 35 10.786 2.649 -5.559 1.00 1.20 H new ATOM 0 HD1 TRP A 35 12.401 -0.094 -7.733 1.00 31.12 H new ATOM 0 HE1 TRP A 35 13.916 -1.583 -6.260 1.00 34.21 H new ATOM 0 HE3 TRP A 35 11.061 1.745 -3.148 1.00 11.13 H new ATOM 0 HZ2 TRP A 35 14.445 -1.891 -3.520 1.00 50.45 H new ATOM 0 HZ3 TRP A 35 12.117 0.794 -1.141 1.00 33.52 H new ATOM 0 HH2 TRP A 35 13.790 -0.999 -1.325 1.00 31.21 H new ATOM 613 N LYS A 36 8.851 -0.846 -7.404 1.00 24.25 N ATOM 614 CA LYS A 36 8.571 -1.763 -8.504 1.00 60.35 C ATOM 615 C LYS A 36 7.071 -1.773 -8.784 1.00 11.25 C ATOM 616 O LYS A 36 6.253 -2.038 -7.892 1.00 51.34 O ATOM 617 CB LYS A 36 9.105 -3.172 -8.174 1.00 52.23 C ATOM 618 CG LYS A 36 10.618 -3.161 -7.875 1.00 41.23 C ATOM 619 CD LYS A 36 11.219 -4.562 -7.683 1.00 42.50 C ATOM 620 CE LYS A 36 12.720 -4.505 -7.380 1.00 24.40 C ATOM 621 NZ LYS A 36 13.313 -5.860 -7.223 1.00 44.31 N ATOM 0 H LYS A 36 8.882 -1.294 -6.488 1.00 24.25 H new ATOM 0 HA LYS A 36 9.083 -1.428 -9.406 1.00 60.35 H new ATOM 0 HB2 LYS A 36 8.568 -3.571 -7.313 1.00 52.23 H new ATOM 0 HB3 LYS A 36 8.906 -3.841 -9.012 1.00 52.23 H new ATOM 0 HG2 LYS A 36 11.137 -2.661 -8.693 1.00 41.23 H new ATOM 0 HG3 LYS A 36 10.798 -2.572 -6.976 1.00 41.23 H new ATOM 0 HD2 LYS A 36 10.703 -5.069 -6.868 1.00 42.50 H new ATOM 0 HD3 LYS A 36 11.053 -5.154 -8.583 1.00 42.50 H new ATOM 0 HE2 LYS A 36 13.232 -3.977 -8.185 1.00 24.40 H new ATOM 0 HE3 LYS A 36 12.883 -3.931 -6.468 1.00 24.40 H new ATOM 0 HZ1 LYS A 36 14.329 -5.773 -7.019 1.00 44.31 H new ATOM 0 HZ2 LYS A 36 12.844 -6.356 -6.438 1.00 44.31 H new ATOM 0 HZ3 LYS A 36 13.181 -6.401 -8.102 1.00 44.31 H new ATOM 635 N TYR A 37 6.736 -1.460 -10.034 1.00 31.13 N ATOM 636 CA TYR A 37 5.363 -1.348 -10.521 1.00 12.34 C ATOM 637 C TYR A 37 5.113 -2.385 -11.629 1.00 32.34 C ATOM 638 O TYR A 37 6.065 -2.903 -12.224 1.00 65.45 O ATOM 639 CB TYR A 37 5.086 0.114 -10.982 1.00 14.11 C ATOM 640 CG TYR A 37 6.176 0.766 -11.856 1.00 74.31 C ATOM 641 CD1 TYR A 37 7.262 1.442 -11.289 1.00 23.21 C ATOM 642 CD2 TYR A 37 6.098 0.742 -13.238 1.00 72.11 C ATOM 643 CE1 TYR A 37 8.219 2.055 -12.074 1.00 45.21 C ATOM 644 CE2 TYR A 37 7.050 1.348 -14.027 1.00 64.03 C ATOM 645 CZ TYR A 37 8.108 2.006 -13.442 1.00 44.54 C ATOM 646 OH TYR A 37 9.064 2.602 -14.232 1.00 51.44 O ATOM 0 H TYR A 37 7.432 -1.272 -10.756 1.00 31.13 H new ATOM 0 HA TYR A 37 4.659 -1.568 -9.719 1.00 12.34 H new ATOM 0 HB2 TYR A 37 4.148 0.127 -11.537 1.00 14.11 H new ATOM 0 HB3 TYR A 37 4.941 0.732 -10.096 1.00 14.11 H new ATOM 0 HD1 TYR A 37 7.354 1.485 -10.214 1.00 23.21 H new ATOM 0 HD2 TYR A 37 5.269 0.235 -13.709 1.00 72.11 H new ATOM 0 HE1 TYR A 37 9.050 2.570 -11.615 1.00 45.21 H new ATOM 0 HE2 TYR A 37 6.967 1.307 -15.103 1.00 64.03 H new ATOM 0 HH TYR A 37 8.835 2.473 -15.176 1.00 51.44 H new ATOM 656 N LEU A 38 3.821 -2.673 -11.902 1.00 32.31 N ATOM 657 CA LEU A 38 3.402 -3.800 -12.773 1.00 13.32 C ATOM 658 C LEU A 38 3.788 -3.567 -14.251 1.00 43.41 C ATOM 659 O LEU A 38 3.919 -4.523 -15.028 1.00 71.05 O ATOM 660 CB LEU A 38 1.875 -4.050 -12.655 1.00 52.20 C ATOM 661 CG LEU A 38 1.361 -5.346 -13.362 1.00 63.21 C ATOM 662 CD1 LEU A 38 2.000 -6.613 -12.747 1.00 40.22 C ATOM 663 CD2 LEU A 38 -0.179 -5.427 -13.367 1.00 52.13 C ATOM 0 H LEU A 38 3.040 -2.134 -11.528 1.00 32.31 H new ATOM 0 HA LEU A 38 3.936 -4.685 -12.426 1.00 13.32 H new ATOM 0 HB2 LEU A 38 1.611 -4.101 -11.599 1.00 52.20 H new ATOM 0 HB3 LEU A 38 1.348 -3.193 -13.074 1.00 52.20 H new ATOM 0 HG LEU A 38 1.677 -5.293 -14.404 1.00 63.21 H new ATOM 0 HD11 LEU A 38 1.622 -7.497 -13.261 1.00 40.22 H new ATOM 0 HD12 LEU A 38 3.083 -6.564 -12.858 1.00 40.22 H new ATOM 0 HD13 LEU A 38 1.746 -6.672 -11.689 1.00 40.22 H new ATOM 0 HD21 LEU A 38 -0.494 -6.343 -13.868 1.00 52.13 H new ATOM 0 HD22 LEU A 38 -0.547 -5.430 -12.341 1.00 52.13 H new ATOM 0 HD23 LEU A 38 -0.587 -4.566 -13.896 1.00 52.13 H new ATOM 675 N GLU A 39 4.005 -2.294 -14.612 1.00 71.11 N ATOM 676 CA GLU A 39 4.403 -1.890 -15.973 1.00 73.20 C ATOM 677 C GLU A 39 5.851 -2.378 -16.299 1.00 61.35 C ATOM 678 O GLU A 39 6.288 -2.301 -17.446 1.00 4.24 O ATOM 679 CB GLU A 39 4.287 -0.335 -16.151 1.00 63.44 C ATOM 680 CG GLU A 39 2.868 0.301 -15.981 1.00 63.14 C ATOM 681 CD GLU A 39 2.270 0.300 -14.547 1.00 52.34 C ATOM 682 OE1 GLU A 39 3.019 0.288 -13.556 1.00 11.20 O ATOM 683 OE2 GLU A 39 1.032 0.331 -14.405 1.00 70.45 O ATOM 0 H GLU A 39 3.909 -1.510 -13.967 1.00 71.11 H new ATOM 0 HA GLU A 39 3.720 -2.364 -16.678 1.00 73.20 H new ATOM 0 HB2 GLU A 39 4.957 0.138 -15.433 1.00 63.44 H new ATOM 0 HB3 GLU A 39 4.654 -0.081 -17.145 1.00 63.44 H new ATOM 0 HG2 GLU A 39 2.914 1.333 -16.330 1.00 63.14 H new ATOM 0 HG3 GLU A 39 2.177 -0.228 -16.638 1.00 63.14 H new ATOM 690 N GLN A 40 6.577 -2.875 -15.268 1.00 42.03 N ATOM 691 CA GLN A 40 7.933 -3.459 -15.421 1.00 22.24 C ATOM 692 C GLN A 40 7.870 -4.982 -15.672 1.00 35.10 C ATOM 693 O GLN A 40 7.116 -5.700 -15.007 1.00 41.13 O ATOM 694 CB GLN A 40 8.795 -3.185 -14.154 1.00 2.13 C ATOM 695 CG GLN A 40 9.030 -1.692 -13.857 1.00 50.43 C ATOM 696 CD GLN A 40 9.737 -0.957 -15.002 1.00 10.44 C ATOM 697 OE1 GLN A 40 10.964 -0.882 -15.041 1.00 52.05 O ATOM 698 NE2 GLN A 40 8.969 -0.407 -15.938 1.00 63.21 N ATOM 0 H GLN A 40 6.239 -2.882 -14.306 1.00 42.03 H new ATOM 0 HA GLN A 40 8.392 -2.981 -16.286 1.00 22.24 H new ATOM 0 HB2 GLN A 40 8.309 -3.643 -13.292 1.00 2.13 H new ATOM 0 HB3 GLN A 40 9.761 -3.676 -14.273 1.00 2.13 H new ATOM 0 HG2 GLN A 40 8.072 -1.211 -13.661 1.00 50.43 H new ATOM 0 HG3 GLN A 40 9.626 -1.597 -12.949 1.00 50.43 H new ATOM 0 HE21 GLN A 40 7.954 -0.487 -15.877 1.00 63.21 H new ATOM 0 HE22 GLN A 40 9.395 0.095 -16.717 1.00 63.21 H new ATOM 707 N ALA A 41 8.700 -5.453 -16.623 1.00 63.12 N ATOM 708 CA ALA A 41 8.903 -6.895 -16.900 1.00 72.25 C ATOM 709 C ALA A 41 9.789 -7.549 -15.810 1.00 15.42 C ATOM 710 O ALA A 41 9.774 -8.772 -15.635 1.00 33.23 O ATOM 711 CB ALA A 41 9.545 -7.075 -18.286 1.00 61.40 C ATOM 0 H ALA A 41 9.253 -4.843 -17.226 1.00 63.12 H new ATOM 0 HA ALA A 41 7.932 -7.389 -16.888 1.00 72.25 H new ATOM 0 HB1 ALA A 41 9.692 -8.137 -18.484 1.00 61.40 H new ATOM 0 HB2 ALA A 41 8.891 -6.651 -19.048 1.00 61.40 H new ATOM 0 HB3 ALA A 41 10.508 -6.565 -18.310 1.00 61.40 H new ATOM 717 N SER A 42 10.552 -6.701 -15.087 1.00 63.34 N ATOM 718 CA SER A 42 11.463 -7.122 -14.002 1.00 54.10 C ATOM 719 C SER A 42 10.690 -7.483 -12.707 1.00 32.22 C ATOM 720 O SER A 42 11.295 -7.943 -11.733 1.00 24.54 O ATOM 721 CB SER A 42 12.485 -5.984 -13.737 1.00 11.40 C ATOM 722 OG SER A 42 13.473 -6.347 -12.781 1.00 65.11 O ATOM 0 H SER A 42 10.552 -5.693 -15.243 1.00 63.34 H new ATOM 0 HA SER A 42 11.988 -8.025 -14.314 1.00 54.10 H new ATOM 0 HB2 SER A 42 12.973 -5.714 -14.673 1.00 11.40 H new ATOM 0 HB3 SER A 42 11.954 -5.099 -13.387 1.00 11.40 H new ATOM 0 HG SER A 42 13.130 -7.069 -12.214 1.00 65.11 H new ATOM 728 N PHE A 43 9.360 -7.263 -12.713 1.00 42.24 N ATOM 729 CA PHE A 43 8.473 -7.572 -11.576 1.00 53.15 C ATOM 730 C PHE A 43 8.437 -9.113 -11.356 1.00 0.32 C ATOM 731 O PHE A 43 8.033 -9.841 -12.266 1.00 75.13 O ATOM 732 CB PHE A 43 7.046 -7.001 -11.869 1.00 33.24 C ATOM 733 CG PHE A 43 6.211 -6.703 -10.625 1.00 4.33 C ATOM 734 CD1 PHE A 43 6.458 -5.546 -9.886 1.00 64.43 C ATOM 735 CD2 PHE A 43 5.182 -7.551 -10.191 1.00 14.22 C ATOM 736 CE1 PHE A 43 5.717 -5.250 -8.762 1.00 74.33 C ATOM 737 CE2 PHE A 43 4.443 -7.245 -9.062 1.00 72.11 C ATOM 738 CZ PHE A 43 4.713 -6.097 -8.351 1.00 24.32 C ATOM 0 H PHE A 43 8.869 -6.863 -13.513 1.00 42.24 H new ATOM 0 HA PHE A 43 8.846 -7.108 -10.663 1.00 53.15 H new ATOM 0 HB2 PHE A 43 7.148 -6.084 -12.450 1.00 33.24 H new ATOM 0 HB3 PHE A 43 6.505 -7.714 -12.491 1.00 33.24 H new ATOM 0 HD1 PHE A 43 7.242 -4.872 -10.199 1.00 64.43 H new ATOM 0 HD2 PHE A 43 4.964 -8.453 -10.744 1.00 14.22 H new ATOM 0 HE1 PHE A 43 5.925 -4.350 -8.202 1.00 74.33 H new ATOM 0 HE2 PHE A 43 3.654 -7.907 -8.738 1.00 72.11 H new ATOM 0 HZ PHE A 43 4.136 -5.861 -7.469 1.00 24.32 H new ATOM 748 N PRO A 44 8.851 -9.634 -10.142 1.00 41.33 N ATOM 749 CA PRO A 44 9.025 -11.105 -9.899 1.00 35.52 C ATOM 750 C PRO A 44 7.687 -11.876 -9.797 1.00 3.25 C ATOM 751 O PRO A 44 7.674 -13.105 -9.648 1.00 74.51 O ATOM 752 CB PRO A 44 9.792 -11.140 -8.554 1.00 72.31 C ATOM 753 CG PRO A 44 9.317 -9.920 -7.839 1.00 3.24 C ATOM 754 CD PRO A 44 9.163 -8.853 -8.909 1.00 52.22 C ATOM 0 HA PRO A 44 9.543 -11.595 -10.723 1.00 35.52 H new ATOM 0 HB2 PRO A 44 9.569 -12.046 -7.990 1.00 72.31 H new ATOM 0 HB3 PRO A 44 10.871 -11.118 -8.708 1.00 72.31 H new ATOM 0 HG2 PRO A 44 8.370 -10.106 -7.332 1.00 3.24 H new ATOM 0 HG3 PRO A 44 10.031 -9.610 -7.076 1.00 3.24 H new ATOM 0 HD2 PRO A 44 8.364 -8.153 -8.665 1.00 52.22 H new ATOM 0 HD3 PRO A 44 10.075 -8.268 -9.025 1.00 52.22 H new ATOM 762 N MET A 45 6.579 -11.131 -9.855 1.00 40.00 N ATOM 763 CA MET A 45 5.216 -11.667 -9.808 1.00 10.00 C ATOM 764 C MET A 45 4.525 -11.402 -11.150 1.00 3.31 C ATOM 765 O MET A 45 4.890 -10.468 -11.881 1.00 40.42 O ATOM 766 CB MET A 45 4.442 -10.979 -8.656 1.00 23.13 C ATOM 767 CG MET A 45 5.008 -11.240 -7.246 1.00 3.15 C ATOM 768 SD MET A 45 4.510 -9.994 -6.041 1.00 42.11 S ATOM 769 CE MET A 45 2.741 -9.924 -6.283 1.00 2.02 C ATOM 0 H MET A 45 6.606 -10.115 -9.938 1.00 40.00 H new ATOM 0 HA MET A 45 5.238 -12.742 -9.629 1.00 10.00 H new ATOM 0 HB2 MET A 45 4.434 -9.904 -8.835 1.00 23.13 H new ATOM 0 HB3 MET A 45 3.405 -11.315 -8.683 1.00 23.13 H new ATOM 0 HG2 MET A 45 4.677 -12.220 -6.904 1.00 3.15 H new ATOM 0 HG3 MET A 45 6.096 -11.272 -7.298 1.00 3.15 H new ATOM 0 HE1 MET A 45 2.294 -9.287 -5.519 1.00 2.02 H new ATOM 0 HE2 MET A 45 2.525 -9.514 -7.270 1.00 2.02 H new ATOM 0 HE3 MET A 45 2.323 -10.928 -6.208 1.00 2.02 H new ATOM 779 N ASN A 46 3.528 -12.236 -11.466 1.00 1.13 N ATOM 780 CA ASN A 46 2.656 -12.040 -12.636 1.00 44.33 C ATOM 781 C ASN A 46 1.574 -10.996 -12.303 1.00 42.41 C ATOM 782 O ASN A 46 1.428 -10.587 -11.140 1.00 3.11 O ATOM 783 CB ASN A 46 2.015 -13.390 -13.050 1.00 53.42 C ATOM 784 CG ASN A 46 3.050 -14.446 -13.446 1.00 60.30 C ATOM 785 OD1 ASN A 46 4.075 -14.132 -14.056 1.00 4.30 O ATOM 786 ND2 ASN A 46 2.816 -15.693 -13.069 1.00 41.34 N ATOM 0 H ASN A 46 3.301 -13.067 -10.920 1.00 1.13 H new ATOM 0 HA ASN A 46 3.247 -11.673 -13.475 1.00 44.33 H new ATOM 0 HB2 ASN A 46 1.415 -13.770 -12.223 1.00 53.42 H new ATOM 0 HB3 ASN A 46 1.336 -13.223 -13.886 1.00 53.42 H new ATOM 0 HD21 ASN A 46 3.493 -16.426 -13.282 1.00 41.34 H new ATOM 0 HD22 ASN A 46 1.959 -15.921 -12.566 1.00 41.34 H new ATOM 793 N GLU A 47 0.799 -10.603 -13.322 1.00 14.00 N ATOM 794 CA GLU A 47 -0.224 -9.542 -13.207 1.00 55.01 C ATOM 795 C GLU A 47 -1.392 -9.979 -12.302 1.00 52.44 C ATOM 796 O GLU A 47 -1.962 -9.160 -11.575 1.00 4.51 O ATOM 797 CB GLU A 47 -0.732 -9.146 -14.617 1.00 32.14 C ATOM 798 CG GLU A 47 0.389 -8.723 -15.591 1.00 51.33 C ATOM 799 CD GLU A 47 -0.151 -8.350 -16.974 1.00 52.34 C ATOM 800 OE1 GLU A 47 -0.443 -9.274 -17.770 1.00 31.44 O ATOM 801 OE2 GLU A 47 -0.295 -7.141 -17.274 1.00 50.25 O ATOM 0 H GLU A 47 0.860 -11.010 -14.255 1.00 14.00 H new ATOM 0 HA GLU A 47 0.236 -8.671 -12.740 1.00 55.01 H new ATOM 0 HB2 GLU A 47 -1.274 -9.988 -15.047 1.00 32.14 H new ATOM 0 HB3 GLU A 47 -1.443 -8.326 -14.519 1.00 32.14 H new ATOM 0 HG2 GLU A 47 0.928 -7.873 -15.173 1.00 51.33 H new ATOM 0 HG3 GLU A 47 1.106 -9.538 -15.691 1.00 51.33 H new ATOM 808 N THR A 48 -1.719 -11.285 -12.352 1.00 14.33 N ATOM 809 CA THR A 48 -2.758 -11.892 -11.508 1.00 50.44 C ATOM 810 C THR A 48 -2.287 -11.940 -10.044 1.00 23.22 C ATOM 811 O THR A 48 -3.024 -11.551 -9.146 1.00 61.43 O ATOM 812 CB THR A 48 -3.128 -13.333 -12.009 1.00 62.34 C ATOM 813 OG1 THR A 48 -3.473 -13.290 -13.407 1.00 0.33 O ATOM 814 CG2 THR A 48 -4.316 -13.929 -11.228 1.00 72.30 C ATOM 0 H THR A 48 -1.267 -11.948 -12.982 1.00 14.33 H new ATOM 0 HA THR A 48 -3.654 -11.274 -11.575 1.00 50.44 H new ATOM 0 HB THR A 48 -2.255 -13.965 -11.846 1.00 62.34 H new ATOM 0 HG1 THR A 48 -3.701 -14.192 -13.715 1.00 0.33 H new ATOM 0 HG21 THR A 48 -4.537 -14.926 -11.608 1.00 72.30 H new ATOM 0 HG22 THR A 48 -4.061 -13.992 -10.170 1.00 72.30 H new ATOM 0 HG23 THR A 48 -5.191 -13.291 -11.353 1.00 72.30 H new ATOM 822 N GLU A 49 -1.023 -12.370 -9.842 1.00 41.15 N ATOM 823 CA GLU A 49 -0.401 -12.485 -8.501 1.00 50.51 C ATOM 824 C GLU A 49 -0.415 -11.126 -7.787 1.00 64.10 C ATOM 825 O GLU A 49 -0.709 -11.034 -6.590 1.00 1.32 O ATOM 826 CB GLU A 49 1.064 -12.998 -8.614 1.00 14.12 C ATOM 827 CG GLU A 49 1.251 -14.236 -9.507 1.00 33.03 C ATOM 828 CD GLU A 49 0.429 -15.455 -9.069 1.00 4.45 C ATOM 829 OE1 GLU A 49 0.883 -16.198 -8.171 1.00 34.54 O ATOM 830 OE2 GLU A 49 -0.671 -15.682 -9.624 1.00 12.34 O ATOM 0 H GLU A 49 -0.403 -12.648 -10.603 1.00 41.15 H new ATOM 0 HA GLU A 49 -0.982 -13.202 -7.921 1.00 50.51 H new ATOM 0 HB2 GLU A 49 1.687 -12.192 -9.001 1.00 14.12 H new ATOM 0 HB3 GLU A 49 1.430 -13.231 -7.614 1.00 14.12 H new ATOM 0 HG2 GLU A 49 0.979 -13.977 -10.530 1.00 33.03 H new ATOM 0 HG3 GLU A 49 2.307 -14.508 -9.517 1.00 33.03 H new ATOM 837 N TYR A 50 -0.088 -10.079 -8.566 1.00 44.54 N ATOM 838 CA TYR A 50 -0.091 -8.685 -8.111 1.00 64.32 C ATOM 839 C TYR A 50 -1.521 -8.203 -7.779 1.00 44.32 C ATOM 840 O TYR A 50 -1.734 -7.543 -6.756 1.00 51.13 O ATOM 841 CB TYR A 50 0.582 -7.782 -9.188 1.00 64.23 C ATOM 842 CG TYR A 50 0.380 -6.284 -8.954 1.00 54.01 C ATOM 843 CD1 TYR A 50 0.982 -5.632 -7.878 1.00 34.41 C ATOM 844 CD2 TYR A 50 -0.463 -5.532 -9.780 1.00 41.21 C ATOM 845 CE1 TYR A 50 0.737 -4.299 -7.630 1.00 42.11 C ATOM 846 CE2 TYR A 50 -0.690 -4.196 -9.544 1.00 3.20 C ATOM 847 CZ TYR A 50 -0.098 -3.588 -8.466 1.00 51.23 C ATOM 848 OH TYR A 50 -0.379 -2.266 -8.197 1.00 70.11 O ATOM 0 H TYR A 50 0.189 -10.184 -9.542 1.00 44.54 H new ATOM 0 HA TYR A 50 0.485 -8.616 -7.189 1.00 64.32 H new ATOM 0 HB2 TYR A 50 1.651 -7.995 -9.211 1.00 64.23 H new ATOM 0 HB3 TYR A 50 0.184 -8.044 -10.168 1.00 64.23 H new ATOM 0 HD1 TYR A 50 1.650 -6.180 -7.230 1.00 34.41 H new ATOM 0 HD2 TYR A 50 -0.945 -6.010 -10.620 1.00 41.21 H new ATOM 0 HE1 TYR A 50 1.198 -3.812 -6.783 1.00 42.11 H new ATOM 0 HE2 TYR A 50 -1.330 -3.629 -10.203 1.00 3.20 H new ATOM 0 HH TYR A 50 0.261 -1.923 -7.539 1.00 70.11 H new ATOM 858 N GLN A 51 -2.487 -8.550 -8.644 1.00 41.12 N ATOM 859 CA GLN A 51 -3.890 -8.097 -8.519 1.00 72.53 C ATOM 860 C GLN A 51 -4.565 -8.707 -7.265 1.00 4.21 C ATOM 861 O GLN A 51 -5.370 -8.043 -6.591 1.00 62.15 O ATOM 862 CB GLN A 51 -4.677 -8.436 -9.818 1.00 2.32 C ATOM 863 CG GLN A 51 -6.113 -7.858 -9.881 1.00 23.34 C ATOM 864 CD GLN A 51 -6.183 -6.324 -9.794 1.00 53.14 C ATOM 865 OE1 GLN A 51 -5.272 -5.614 -10.219 1.00 72.05 O ATOM 866 NE2 GLN A 51 -7.277 -5.799 -9.257 1.00 73.11 N ATOM 0 H GLN A 51 -2.322 -9.152 -9.451 1.00 41.12 H new ATOM 0 HA GLN A 51 -3.898 -7.015 -8.390 1.00 72.53 H new ATOM 0 HB2 GLN A 51 -4.114 -8.064 -10.674 1.00 2.32 H new ATOM 0 HB3 GLN A 51 -4.733 -9.520 -9.919 1.00 2.32 H new ATOM 0 HG2 GLN A 51 -6.581 -8.179 -10.812 1.00 23.34 H new ATOM 0 HG3 GLN A 51 -6.699 -8.283 -9.066 1.00 23.34 H new ATOM 0 HE21 GLN A 51 -8.019 -6.408 -8.912 1.00 73.11 H new ATOM 0 HE22 GLN A 51 -7.376 -4.786 -9.190 1.00 73.11 H new ATOM 875 N GLU A 52 -4.196 -9.964 -6.942 1.00 41.54 N ATOM 876 CA GLU A 52 -4.680 -10.653 -5.727 1.00 12.32 C ATOM 877 C GLU A 52 -3.984 -10.083 -4.483 1.00 32.42 C ATOM 878 O GLU A 52 -4.598 -9.972 -3.419 1.00 13.00 O ATOM 879 CB GLU A 52 -4.430 -12.182 -5.809 1.00 20.14 C ATOM 880 CG GLU A 52 -5.003 -12.871 -7.063 1.00 11.23 C ATOM 881 CD GLU A 52 -6.488 -12.579 -7.320 1.00 31.00 C ATOM 882 OE1 GLU A 52 -7.345 -13.101 -6.569 1.00 42.13 O ATOM 883 OE2 GLU A 52 -6.807 -11.827 -8.272 1.00 12.33 O ATOM 0 H GLU A 52 -3.561 -10.525 -7.509 1.00 41.54 H new ATOM 0 HA GLU A 52 -5.754 -10.484 -5.653 1.00 12.32 H new ATOM 0 HB2 GLU A 52 -3.355 -12.361 -5.774 1.00 20.14 H new ATOM 0 HB3 GLU A 52 -4.861 -12.653 -4.926 1.00 20.14 H new ATOM 0 HG2 GLU A 52 -4.427 -12.555 -7.932 1.00 11.23 H new ATOM 0 HG3 GLU A 52 -4.868 -13.948 -6.965 1.00 11.23 H new ATOM 890 N HIS A 53 -2.685 -9.734 -4.645 1.00 53.34 N ATOM 891 CA HIS A 53 -1.856 -9.118 -3.585 1.00 74.45 C ATOM 892 C HIS A 53 -2.466 -7.783 -3.129 1.00 21.21 C ATOM 893 O HIS A 53 -2.493 -7.488 -1.942 1.00 2.31 O ATOM 894 CB HIS A 53 -0.401 -8.909 -4.089 1.00 74.34 C ATOM 895 CG HIS A 53 0.528 -8.217 -3.118 1.00 72.13 C ATOM 896 ND1 HIS A 53 1.188 -8.875 -2.105 1.00 52.02 N ATOM 897 CD2 HIS A 53 0.906 -6.916 -3.016 1.00 15.41 C ATOM 898 CE1 HIS A 53 1.944 -8.018 -1.444 1.00 61.44 C ATOM 899 NE2 HIS A 53 1.786 -6.829 -1.972 1.00 31.42 N ATOM 0 H HIS A 53 -2.181 -9.874 -5.521 1.00 53.34 H new ATOM 0 HA HIS A 53 -1.832 -9.793 -2.729 1.00 74.45 H new ATOM 0 HB2 HIS A 53 0.022 -9.882 -4.340 1.00 74.34 H new ATOM 0 HB3 HIS A 53 -0.434 -8.328 -5.011 1.00 74.34 H new ATOM 0 HD2 HIS A 53 0.574 -6.102 -3.643 1.00 15.41 H new ATOM 0 HE1 HIS A 53 2.585 -8.257 -0.608 1.00 61.44 H new ATOM 0 HE2 HIS A 53 2.246 -5.975 -1.655 1.00 31.42 H new ATOM 908 N LEU A 54 -2.961 -6.999 -4.102 1.00 5.13 N ATOM 909 CA LEU A 54 -3.643 -5.711 -3.859 1.00 10.22 C ATOM 910 C LEU A 54 -4.867 -5.888 -2.956 1.00 33.53 C ATOM 911 O LEU A 54 -5.020 -5.188 -1.961 1.00 23.43 O ATOM 912 CB LEU A 54 -4.108 -5.105 -5.203 1.00 53.22 C ATOM 913 CG LEU A 54 -3.000 -4.564 -6.135 1.00 73.25 C ATOM 914 CD1 LEU A 54 -3.571 -4.318 -7.539 1.00 74.14 C ATOM 915 CD2 LEU A 54 -2.351 -3.287 -5.545 1.00 12.43 C ATOM 0 H LEU A 54 -2.899 -7.242 -5.091 1.00 5.13 H new ATOM 0 HA LEU A 54 -2.932 -5.049 -3.365 1.00 10.22 H new ATOM 0 HB2 LEU A 54 -4.668 -5.867 -5.745 1.00 53.22 H new ATOM 0 HB3 LEU A 54 -4.801 -4.292 -4.989 1.00 53.22 H new ATOM 0 HG LEU A 54 -2.211 -5.311 -6.217 1.00 73.25 H new ATOM 0 HD11 LEU A 54 -2.784 -3.937 -8.190 1.00 74.14 H new ATOM 0 HD12 LEU A 54 -3.956 -5.254 -7.944 1.00 74.14 H new ATOM 0 HD13 LEU A 54 -4.379 -3.588 -7.481 1.00 74.14 H new ATOM 0 HD21 LEU A 54 -1.575 -2.928 -6.221 1.00 12.43 H new ATOM 0 HD22 LEU A 54 -3.111 -2.516 -5.423 1.00 12.43 H new ATOM 0 HD23 LEU A 54 -1.909 -3.518 -4.576 1.00 12.43 H new ATOM 927 N ASP A 55 -5.732 -6.840 -3.340 1.00 4.43 N ATOM 928 CA ASP A 55 -7.031 -7.057 -2.682 1.00 13.30 C ATOM 929 C ASP A 55 -6.847 -7.777 -1.335 1.00 23.12 C ATOM 930 O ASP A 55 -7.684 -7.661 -0.438 1.00 53.44 O ATOM 931 CB ASP A 55 -7.982 -7.825 -3.641 1.00 33.02 C ATOM 932 CG ASP A 55 -9.456 -7.771 -3.193 1.00 4.11 C ATOM 933 OD1 ASP A 55 -10.118 -6.735 -3.430 1.00 71.45 O ATOM 934 OD2 ASP A 55 -9.961 -8.746 -2.598 1.00 3.41 O ATOM 0 H ASP A 55 -5.552 -7.480 -4.114 1.00 4.43 H new ATOM 0 HA ASP A 55 -7.491 -6.094 -2.459 1.00 13.30 H new ATOM 0 HB2 ASP A 55 -7.896 -7.405 -4.643 1.00 33.02 H new ATOM 0 HB3 ASP A 55 -7.664 -8.866 -3.703 1.00 33.02 H new ATOM 939 N SER A 56 -5.714 -8.490 -1.205 1.00 13.04 N ATOM 940 CA SER A 56 -5.275 -9.101 0.059 1.00 25.30 C ATOM 941 C SER A 56 -4.853 -7.998 1.045 1.00 73.12 C ATOM 942 O SER A 56 -5.271 -7.998 2.208 1.00 53.42 O ATOM 943 CB SER A 56 -4.103 -10.071 -0.200 1.00 23.32 C ATOM 944 OG SER A 56 -3.642 -10.673 1.003 1.00 22.05 O ATOM 0 H SER A 56 -5.074 -8.659 -1.981 1.00 13.04 H new ATOM 0 HA SER A 56 -6.100 -9.666 0.492 1.00 25.30 H new ATOM 0 HB2 SER A 56 -4.420 -10.847 -0.897 1.00 23.32 H new ATOM 0 HB3 SER A 56 -3.283 -9.532 -0.675 1.00 23.32 H new ATOM 0 HG SER A 56 -2.901 -11.282 0.801 1.00 22.05 H new ATOM 950 N VAL A 57 -4.042 -7.046 0.542 1.00 63.24 N ATOM 951 CA VAL A 57 -3.569 -5.895 1.323 1.00 21.14 C ATOM 952 C VAL A 57 -4.755 -5.024 1.765 1.00 33.54 C ATOM 953 O VAL A 57 -4.908 -4.732 2.949 1.00 21.35 O ATOM 954 CB VAL A 57 -2.502 -5.045 0.516 1.00 62.32 C ATOM 955 CG1 VAL A 57 -2.238 -3.667 1.164 1.00 63.24 C ATOM 956 CG2 VAL A 57 -1.173 -5.832 0.362 1.00 52.22 C ATOM 0 H VAL A 57 -3.699 -7.057 -0.418 1.00 63.24 H new ATOM 0 HA VAL A 57 -3.071 -6.274 2.215 1.00 21.14 H new ATOM 0 HB VAL A 57 -2.924 -4.864 -0.473 1.00 62.32 H new ATOM 0 HG11 VAL A 57 -1.500 -3.123 0.574 1.00 63.24 H new ATOM 0 HG12 VAL A 57 -3.167 -3.097 1.199 1.00 63.24 H new ATOM 0 HG13 VAL A 57 -1.861 -3.808 2.177 1.00 63.24 H new ATOM 0 HG21 VAL A 57 -0.456 -5.229 -0.195 1.00 52.22 H new ATOM 0 HG22 VAL A 57 -0.768 -6.059 1.348 1.00 52.22 H new ATOM 0 HG23 VAL A 57 -1.361 -6.761 -0.176 1.00 52.22 H new ATOM 966 N ALA A 58 -5.631 -4.694 0.802 1.00 51.13 N ATOM 967 CA ALA A 58 -6.799 -3.816 1.017 1.00 41.12 C ATOM 968 C ALA A 58 -7.832 -4.445 1.984 1.00 52.34 C ATOM 969 O ALA A 58 -8.615 -3.725 2.627 1.00 40.04 O ATOM 970 CB ALA A 58 -7.433 -3.480 -0.334 1.00 3.33 C ATOM 0 H ALA A 58 -5.550 -5.031 -0.157 1.00 51.13 H new ATOM 0 HA ALA A 58 -6.457 -2.897 1.493 1.00 41.12 H new ATOM 0 HB1 ALA A 58 -8.296 -2.832 -0.180 1.00 3.33 H new ATOM 0 HB2 ALA A 58 -6.703 -2.969 -0.962 1.00 3.33 H new ATOM 0 HB3 ALA A 58 -7.753 -4.399 -0.825 1.00 3.33 H new ATOM 976 N ASN A 59 -7.811 -5.793 2.065 1.00 71.42 N ATOM 977 CA ASN A 59 -8.604 -6.576 3.038 1.00 31.13 C ATOM 978 C ASN A 59 -8.122 -6.283 4.470 1.00 23.23 C ATOM 979 O ASN A 59 -8.926 -5.983 5.357 1.00 54.04 O ATOM 980 CB ASN A 59 -8.478 -8.096 2.720 1.00 24.32 C ATOM 981 CG ASN A 59 -9.223 -9.023 3.696 1.00 15.21 C ATOM 982 OD1 ASN A 59 -10.261 -8.667 4.259 1.00 25.12 O ATOM 983 ND2 ASN A 59 -8.703 -10.225 3.883 1.00 4.20 N ATOM 0 H ASN A 59 -7.238 -6.373 1.452 1.00 71.42 H new ATOM 0 HA ASN A 59 -9.652 -6.288 2.961 1.00 31.13 H new ATOM 0 HB2 ASN A 59 -8.854 -8.275 1.713 1.00 24.32 H new ATOM 0 HB3 ASN A 59 -7.422 -8.366 2.719 1.00 24.32 H new ATOM 0 HD21 ASN A 59 -9.162 -10.888 4.508 1.00 4.20 H new ATOM 0 HD22 ASN A 59 -7.843 -10.489 3.402 1.00 4.20 H new ATOM 990 N TYR A 60 -6.789 -6.348 4.668 1.00 55.54 N ATOM 991 CA TYR A 60 -6.159 -6.083 5.981 1.00 2.45 C ATOM 992 C TYR A 60 -6.235 -4.605 6.358 1.00 13.43 C ATOM 993 O TYR A 60 -6.332 -4.274 7.536 1.00 54.43 O ATOM 994 CB TYR A 60 -4.684 -6.543 6.001 1.00 61.05 C ATOM 995 CG TYR A 60 -4.501 -8.053 6.072 1.00 22.11 C ATOM 996 CD1 TYR A 60 -4.695 -8.725 7.274 1.00 74.44 C ATOM 997 CD2 TYR A 60 -4.136 -8.801 4.955 1.00 43.44 C ATOM 998 CE1 TYR A 60 -4.534 -10.086 7.363 1.00 74.43 C ATOM 999 CE2 TYR A 60 -3.972 -10.171 5.034 1.00 41.41 C ATOM 1000 CZ TYR A 60 -4.173 -10.810 6.240 1.00 13.10 C ATOM 1001 OH TYR A 60 -4.010 -12.177 6.322 1.00 22.14 O ATOM 0 H TYR A 60 -6.124 -6.583 3.931 1.00 55.54 H new ATOM 0 HA TYR A 60 -6.721 -6.659 6.716 1.00 2.45 H new ATOM 0 HB2 TYR A 60 -4.187 -6.170 5.106 1.00 61.05 H new ATOM 0 HB3 TYR A 60 -4.185 -6.087 6.856 1.00 61.05 H new ATOM 0 HD1 TYR A 60 -4.978 -8.166 8.154 1.00 74.44 H new ATOM 0 HD2 TYR A 60 -3.978 -8.301 4.011 1.00 43.44 H new ATOM 0 HE1 TYR A 60 -4.689 -10.590 8.306 1.00 74.43 H new ATOM 0 HE2 TYR A 60 -3.689 -10.737 4.159 1.00 41.41 H new ATOM 0 HH TYR A 60 -3.757 -12.530 5.443 1.00 22.14 H new ATOM 1011 N LEU A 61 -6.177 -3.724 5.351 1.00 74.02 N ATOM 1012 CA LEU A 61 -6.304 -2.272 5.556 1.00 2.20 C ATOM 1013 C LEU A 61 -7.667 -1.949 6.203 1.00 15.50 C ATOM 1014 O LEU A 61 -7.753 -1.147 7.130 1.00 13.43 O ATOM 1015 CB LEU A 61 -6.117 -1.514 4.211 1.00 64.05 C ATOM 1016 CG LEU A 61 -4.704 -1.608 3.553 1.00 64.44 C ATOM 1017 CD1 LEU A 61 -4.626 -0.784 2.246 1.00 23.45 C ATOM 1018 CD2 LEU A 61 -3.593 -1.202 4.542 1.00 32.33 C ATOM 0 H LEU A 61 -6.042 -3.993 4.377 1.00 74.02 H new ATOM 0 HA LEU A 61 -5.519 -1.936 6.234 1.00 2.20 H new ATOM 0 HB2 LEU A 61 -6.851 -1.893 3.500 1.00 64.05 H new ATOM 0 HB3 LEU A 61 -6.348 -0.462 4.377 1.00 64.05 H new ATOM 0 HG LEU A 61 -4.541 -2.652 3.287 1.00 64.44 H new ATOM 0 HD11 LEU A 61 -3.628 -0.874 1.818 1.00 23.45 H new ATOM 0 HD12 LEU A 61 -5.361 -1.160 1.535 1.00 23.45 H new ATOM 0 HD13 LEU A 61 -4.834 0.264 2.463 1.00 23.45 H new ATOM 0 HD21 LEU A 61 -2.623 -1.279 4.051 1.00 32.33 H new ATOM 0 HD22 LEU A 61 -3.754 -0.175 4.868 1.00 32.33 H new ATOM 0 HD23 LEU A 61 -3.616 -1.865 5.407 1.00 32.33 H new ATOM 1030 N HIS A 62 -8.716 -2.629 5.726 1.00 44.13 N ATOM 1031 CA HIS A 62 -10.073 -2.521 6.292 1.00 12.02 C ATOM 1032 C HIS A 62 -10.139 -3.177 7.687 1.00 63.31 C ATOM 1033 O HIS A 62 -10.663 -2.590 8.638 1.00 44.41 O ATOM 1034 CB HIS A 62 -11.081 -3.198 5.340 1.00 31.50 C ATOM 1035 CG HIS A 62 -12.515 -3.144 5.791 1.00 73.40 C ATOM 1036 ND1 HIS A 62 -13.095 -4.128 6.564 1.00 30.01 N ATOM 1037 CD2 HIS A 62 -13.474 -2.205 5.606 1.00 52.22 C ATOM 1038 CE1 HIS A 62 -14.342 -3.802 6.821 1.00 5.41 C ATOM 1039 NE2 HIS A 62 -14.599 -2.638 6.264 1.00 53.21 N ATOM 0 H HIS A 62 -8.652 -3.271 4.936 1.00 44.13 H new ATOM 0 HA HIS A 62 -10.326 -1.466 6.401 1.00 12.02 H new ATOM 0 HB2 HIS A 62 -11.006 -2.726 4.360 1.00 31.50 H new ATOM 0 HB3 HIS A 62 -10.794 -4.242 5.214 1.00 31.50 H new ATOM 0 HD2 HIS A 62 -13.373 -1.287 5.046 1.00 52.22 H new ATOM 0 HE1 HIS A 62 -15.041 -4.392 7.395 1.00 5.41 H new ATOM 0 HE2 HIS A 62 -15.487 -2.139 6.313 1.00 53.21 H new ATOM 1048 N ALA A 63 -9.575 -4.390 7.789 1.00 44.55 N ATOM 1049 CA ALA A 63 -9.648 -5.237 9.000 1.00 23.41 C ATOM 1050 C ALA A 63 -8.962 -4.584 10.217 1.00 41.25 C ATOM 1051 O ALA A 63 -9.396 -4.756 11.366 1.00 44.43 O ATOM 1052 CB ALA A 63 -9.017 -6.603 8.701 1.00 63.13 C ATOM 0 H ALA A 63 -9.049 -4.819 7.028 1.00 44.55 H new ATOM 0 HA ALA A 63 -10.699 -5.359 9.260 1.00 23.41 H new ATOM 0 HB1 ALA A 63 -9.069 -7.230 9.591 1.00 63.13 H new ATOM 0 HB2 ALA A 63 -9.559 -7.084 7.886 1.00 63.13 H new ATOM 0 HB3 ALA A 63 -7.975 -6.467 8.413 1.00 63.13 H new ATOM 1058 N LEU A 64 -7.879 -3.852 9.939 1.00 14.11 N ATOM 1059 CA LEU A 64 -7.068 -3.167 10.960 1.00 40.42 C ATOM 1060 C LEU A 64 -7.545 -1.710 11.157 1.00 13.15 C ATOM 1061 O LEU A 64 -7.321 -1.122 12.217 1.00 42.25 O ATOM 1062 CB LEU A 64 -5.570 -3.216 10.540 1.00 21.25 C ATOM 1063 CG LEU A 64 -4.949 -4.651 10.394 1.00 43.44 C ATOM 1064 CD1 LEU A 64 -3.512 -4.606 9.818 1.00 14.03 C ATOM 1065 CD2 LEU A 64 -5.002 -5.422 11.732 1.00 71.22 C ATOM 0 H LEU A 64 -7.534 -3.715 8.989 1.00 14.11 H new ATOM 0 HA LEU A 64 -7.186 -3.677 11.916 1.00 40.42 H new ATOM 0 HB2 LEU A 64 -5.461 -2.695 9.589 1.00 21.25 H new ATOM 0 HB3 LEU A 64 -4.987 -2.661 11.276 1.00 21.25 H new ATOM 0 HG LEU A 64 -5.560 -5.195 9.674 1.00 43.44 H new ATOM 0 HD11 LEU A 64 -3.122 -5.620 9.734 1.00 14.03 H new ATOM 0 HD12 LEU A 64 -3.530 -4.141 8.832 1.00 14.03 H new ATOM 0 HD13 LEU A 64 -2.872 -4.025 10.482 1.00 14.03 H new ATOM 0 HD21 LEU A 64 -4.565 -6.412 11.599 1.00 71.22 H new ATOM 0 HD22 LEU A 64 -4.440 -4.876 12.489 1.00 71.22 H new ATOM 0 HD23 LEU A 64 -6.039 -5.523 12.053 1.00 71.22 H new ATOM 1077 N GLY A 65 -8.235 -1.159 10.132 1.00 31.12 N ATOM 1078 CA GLY A 65 -8.713 0.240 10.146 1.00 42.33 C ATOM 1079 C GLY A 65 -7.745 1.207 9.465 1.00 23.32 C ATOM 1080 O GLY A 65 -7.982 2.422 9.434 1.00 13.12 O ATOM 0 H GLY A 65 -8.474 -1.667 9.280 1.00 31.12 H new ATOM 0 HA2 GLY A 65 -9.681 0.293 9.648 1.00 42.33 H new ATOM 0 HA3 GLY A 65 -8.868 0.555 11.178 1.00 42.33 H new ATOM 1084 N GLY A 66 -6.667 0.648 8.882 1.00 13.22 N ATOM 1085 CA GLY A 66 -5.618 1.431 8.233 1.00 4.01 C ATOM 1086 C GLY A 66 -5.914 1.792 6.780 1.00 42.53 C ATOM 1087 O GLY A 66 -5.054 2.373 6.125 1.00 75.43 O ATOM 0 H GLY A 66 -6.506 -0.359 8.852 1.00 13.22 H new ATOM 0 HA2 GLY A 66 -5.463 2.349 8.799 1.00 4.01 H new ATOM 0 HA3 GLY A 66 -4.684 0.870 8.273 1.00 4.01 H new ATOM 1091 N ALA A 67 -7.131 1.473 6.276 1.00 51.12 N ATOM 1092 CA ALA A 67 -7.525 1.764 4.874 1.00 11.44 C ATOM 1093 C ALA A 67 -7.580 3.269 4.616 1.00 51.32 C ATOM 1094 O ALA A 67 -7.040 3.766 3.618 1.00 13.11 O ATOM 1095 CB ALA A 67 -8.875 1.111 4.546 1.00 61.31 C ATOM 0 H ALA A 67 -7.860 1.012 6.821 1.00 51.12 H new ATOM 0 HA ALA A 67 -6.765 1.339 4.218 1.00 11.44 H new ATOM 0 HB1 ALA A 67 -9.147 1.336 3.515 1.00 61.31 H new ATOM 0 HB2 ALA A 67 -8.798 0.031 4.674 1.00 61.31 H new ATOM 0 HB3 ALA A 67 -9.641 1.502 5.216 1.00 61.31 H new ATOM 1101 N VAL A 68 -8.221 3.980 5.553 1.00 41.53 N ATOM 1102 CA VAL A 68 -8.333 5.444 5.521 1.00 34.45 C ATOM 1103 C VAL A 68 -6.946 6.073 5.731 1.00 31.23 C ATOM 1104 O VAL A 68 -6.627 7.057 5.088 1.00 21.25 O ATOM 1105 CB VAL A 68 -9.351 5.962 6.608 1.00 3.34 C ATOM 1106 CG1 VAL A 68 -9.546 7.501 6.538 1.00 53.31 C ATOM 1107 CG2 VAL A 68 -10.705 5.221 6.488 1.00 55.03 C ATOM 0 H VAL A 68 -8.679 3.553 6.359 1.00 41.53 H new ATOM 0 HA VAL A 68 -8.716 5.742 4.545 1.00 34.45 H new ATOM 0 HB VAL A 68 -8.924 5.740 7.586 1.00 3.34 H new ATOM 0 HG11 VAL A 68 -10.255 7.813 7.305 1.00 53.31 H new ATOM 0 HG12 VAL A 68 -8.590 7.997 6.705 1.00 53.31 H new ATOM 0 HG13 VAL A 68 -9.930 7.775 5.555 1.00 53.31 H new ATOM 0 HG21 VAL A 68 -11.392 5.594 7.247 1.00 55.03 H new ATOM 0 HG22 VAL A 68 -11.128 5.395 5.499 1.00 55.03 H new ATOM 0 HG23 VAL A 68 -10.549 4.152 6.633 1.00 55.03 H new ATOM 1117 N GLN A 69 -6.113 5.439 6.595 1.00 44.32 N ATOM 1118 CA GLN A 69 -4.740 5.916 6.906 1.00 5.31 C ATOM 1119 C GLN A 69 -3.844 5.929 5.644 1.00 3.24 C ATOM 1120 O GLN A 69 -3.048 6.854 5.447 1.00 44.42 O ATOM 1121 CB GLN A 69 -4.088 5.034 8.017 1.00 4.30 C ATOM 1122 CG GLN A 69 -4.847 4.988 9.368 1.00 3.15 C ATOM 1123 CD GLN A 69 -4.814 6.290 10.184 1.00 54.05 C ATOM 1124 OE1 GLN A 69 -4.743 7.398 9.655 1.00 50.52 O ATOM 1125 NE2 GLN A 69 -4.871 6.162 11.501 1.00 51.34 N ATOM 0 H GLN A 69 -6.372 4.587 7.093 1.00 44.32 H new ATOM 0 HA GLN A 69 -4.825 6.940 7.271 1.00 5.31 H new ATOM 0 HB2 GLN A 69 -3.994 4.016 7.639 1.00 4.30 H new ATOM 0 HB3 GLN A 69 -3.078 5.401 8.201 1.00 4.30 H new ATOM 0 HG2 GLN A 69 -5.887 4.727 9.173 1.00 3.15 H new ATOM 0 HG3 GLN A 69 -4.426 4.187 9.976 1.00 3.15 H new ATOM 0 HE21 GLN A 69 -4.930 5.234 11.921 1.00 51.34 H new ATOM 0 HE22 GLN A 69 -4.856 6.991 12.095 1.00 51.34 H new ATOM 1134 N VAL A 70 -4.000 4.888 4.800 1.00 45.03 N ATOM 1135 CA VAL A 70 -3.282 4.762 3.514 1.00 24.02 C ATOM 1136 C VAL A 70 -3.706 5.870 2.555 1.00 55.34 C ATOM 1137 O VAL A 70 -2.869 6.610 2.027 1.00 65.02 O ATOM 1138 CB VAL A 70 -3.539 3.350 2.859 1.00 72.44 C ATOM 1139 CG1 VAL A 70 -2.993 3.253 1.412 1.00 70.44 C ATOM 1140 CG2 VAL A 70 -2.934 2.246 3.734 1.00 30.02 C ATOM 0 H VAL A 70 -4.629 4.109 4.992 1.00 45.03 H new ATOM 0 HA VAL A 70 -2.215 4.858 3.714 1.00 24.02 H new ATOM 0 HB VAL A 70 -4.619 3.217 2.797 1.00 72.44 H new ATOM 0 HG11 VAL A 70 -3.198 2.260 1.012 1.00 70.44 H new ATOM 0 HG12 VAL A 70 -3.479 4.003 0.789 1.00 70.44 H new ATOM 0 HG13 VAL A 70 -1.917 3.427 1.417 1.00 70.44 H new ATOM 0 HG21 VAL A 70 -3.117 1.275 3.273 1.00 30.02 H new ATOM 0 HG22 VAL A 70 -1.860 2.406 3.830 1.00 30.02 H new ATOM 0 HG23 VAL A 70 -3.394 2.271 4.722 1.00 30.02 H new ATOM 1150 N LYS A 71 -5.030 5.981 2.378 1.00 61.42 N ATOM 1151 CA LYS A 71 -5.644 6.957 1.474 1.00 4.31 C ATOM 1152 C LYS A 71 -5.296 8.393 1.883 1.00 33.35 C ATOM 1153 O LYS A 71 -5.007 9.227 1.028 1.00 13.34 O ATOM 1154 CB LYS A 71 -7.174 6.749 1.433 1.00 34.23 C ATOM 1155 CG LYS A 71 -7.607 5.411 0.794 1.00 32.41 C ATOM 1156 CD LYS A 71 -9.127 5.345 0.552 1.00 65.32 C ATOM 1157 CE LYS A 71 -9.617 6.454 -0.398 1.00 54.50 C ATOM 1158 NZ LYS A 71 -11.094 6.457 -0.540 1.00 74.12 N ATOM 0 H LYS A 71 -5.707 5.391 2.862 1.00 61.42 H new ATOM 0 HA LYS A 71 -5.242 6.798 0.473 1.00 4.31 H new ATOM 0 HB2 LYS A 71 -7.565 6.798 2.449 1.00 34.23 H new ATOM 0 HB3 LYS A 71 -7.628 7.569 0.877 1.00 34.23 H new ATOM 0 HG2 LYS A 71 -7.084 5.277 -0.153 1.00 32.41 H new ATOM 0 HG3 LYS A 71 -7.308 4.587 1.442 1.00 32.41 H new ATOM 0 HD2 LYS A 71 -9.384 4.372 0.134 1.00 65.32 H new ATOM 0 HD3 LYS A 71 -9.648 5.430 1.505 1.00 65.32 H new ATOM 0 HE2 LYS A 71 -9.288 7.423 -0.023 1.00 54.50 H new ATOM 0 HE3 LYS A 71 -9.160 6.319 -1.378 1.00 54.50 H new ATOM 0 HZ1 LYS A 71 -11.379 7.219 -1.188 1.00 74.12 H new ATOM 0 HZ2 LYS A 71 -11.408 5.542 -0.922 1.00 74.12 H new ATOM 0 HZ3 LYS A 71 -11.532 6.612 0.391 1.00 74.12 H new ATOM 1172 N THR A 72 -5.286 8.646 3.200 1.00 55.14 N ATOM 1173 CA THR A 72 -4.991 9.966 3.761 1.00 62.31 C ATOM 1174 C THR A 72 -3.531 10.342 3.479 1.00 51.24 C ATOM 1175 O THR A 72 -3.260 11.397 2.903 1.00 61.13 O ATOM 1176 CB THR A 72 -5.294 10.001 5.302 1.00 72.20 C ATOM 1177 OG1 THR A 72 -6.688 9.732 5.514 1.00 53.15 O ATOM 1178 CG2 THR A 72 -4.949 11.350 5.952 1.00 51.23 C ATOM 0 H THR A 72 -5.483 7.936 3.906 1.00 55.14 H new ATOM 0 HA THR A 72 -5.637 10.701 3.281 1.00 62.31 H new ATOM 0 HB THR A 72 -4.665 9.242 5.768 1.00 72.20 H new ATOM 0 HG1 THR A 72 -6.864 8.780 5.363 1.00 53.15 H new ATOM 0 HG21 THR A 72 -5.181 11.311 7.016 1.00 51.23 H new ATOM 0 HG22 THR A 72 -3.887 11.557 5.819 1.00 51.23 H new ATOM 0 HG23 THR A 72 -5.534 12.141 5.482 1.00 51.23 H new ATOM 1186 N PHE A 73 -2.615 9.416 3.820 1.00 72.40 N ATOM 1187 CA PHE A 73 -1.162 9.621 3.684 1.00 65.10 C ATOM 1188 C PHE A 73 -0.779 9.938 2.224 1.00 24.52 C ATOM 1189 O PHE A 73 -0.094 10.925 1.964 1.00 61.35 O ATOM 1190 CB PHE A 73 -0.387 8.368 4.177 1.00 44.22 C ATOM 1191 CG PHE A 73 1.132 8.543 4.201 1.00 20.51 C ATOM 1192 CD1 PHE A 73 1.770 9.060 5.326 1.00 52.12 C ATOM 1193 CD2 PHE A 73 1.925 8.211 3.095 1.00 0.42 C ATOM 1194 CE1 PHE A 73 3.139 9.235 5.349 1.00 32.54 C ATOM 1195 CE2 PHE A 73 3.293 8.392 3.122 1.00 63.22 C ATOM 1196 CZ PHE A 73 3.896 8.903 4.248 1.00 12.14 C ATOM 0 H PHE A 73 -2.864 8.502 4.199 1.00 72.40 H new ATOM 0 HA PHE A 73 -0.887 10.475 4.303 1.00 65.10 H new ATOM 0 HB2 PHE A 73 -0.729 8.114 5.180 1.00 44.22 H new ATOM 0 HB3 PHE A 73 -0.635 7.524 3.533 1.00 44.22 H new ATOM 0 HD1 PHE A 73 1.185 9.328 6.193 1.00 52.12 H new ATOM 0 HD2 PHE A 73 1.459 7.807 2.208 1.00 0.42 H new ATOM 0 HE1 PHE A 73 3.617 9.633 6.232 1.00 32.54 H new ATOM 0 HE2 PHE A 73 3.890 8.133 2.260 1.00 63.22 H new ATOM 0 HZ PHE A 73 4.967 9.044 4.268 1.00 12.14 H new ATOM 1206 N ILE A 74 -1.245 9.081 1.290 1.00 12.44 N ATOM 1207 CA ILE A 74 -0.948 9.194 -0.156 1.00 40.23 C ATOM 1208 C ILE A 74 -1.513 10.515 -0.738 1.00 21.31 C ATOM 1209 O ILE A 74 -0.834 11.198 -1.520 1.00 61.10 O ATOM 1210 CB ILE A 74 -1.500 7.933 -0.944 1.00 4.23 C ATOM 1211 CG1 ILE A 74 -0.748 6.638 -0.482 1.00 55.23 C ATOM 1212 CG2 ILE A 74 -1.400 8.108 -2.479 1.00 11.41 C ATOM 1213 CD1 ILE A 74 -1.172 5.356 -1.185 1.00 30.22 C ATOM 0 H ILE A 74 -1.842 8.286 1.519 1.00 12.44 H new ATOM 0 HA ILE A 74 0.135 9.217 -0.280 1.00 40.23 H new ATOM 0 HB ILE A 74 -2.559 7.836 -0.707 1.00 4.23 H new ATOM 0 HG12 ILE A 74 0.321 6.783 -0.638 1.00 55.23 H new ATOM 0 HG13 ILE A 74 -0.899 6.512 0.590 1.00 55.23 H new ATOM 0 HG21 ILE A 74 -1.790 7.218 -2.973 1.00 11.41 H new ATOM 0 HG22 ILE A 74 -1.982 8.977 -2.785 1.00 11.41 H new ATOM 0 HG23 ILE A 74 -0.357 8.252 -2.762 1.00 11.41 H new ATOM 0 HD11 ILE A 74 -0.594 4.519 -0.795 1.00 30.22 H new ATOM 0 HD12 ILE A 74 -2.233 5.178 -1.008 1.00 30.22 H new ATOM 0 HD13 ILE A 74 -0.994 5.452 -2.256 1.00 30.22 H new ATOM 1225 N THR A 75 -2.734 10.884 -0.312 1.00 30.31 N ATOM 1226 CA THR A 75 -3.417 12.113 -0.769 1.00 73.02 C ATOM 1227 C THR A 75 -2.776 13.394 -0.157 1.00 74.14 C ATOM 1228 O THR A 75 -2.886 14.484 -0.732 1.00 40.22 O ATOM 1229 CB THR A 75 -4.952 12.032 -0.449 1.00 4.13 C ATOM 1230 OG1 THR A 75 -5.499 10.847 -1.052 1.00 60.04 O ATOM 1231 CG2 THR A 75 -5.751 13.245 -0.957 1.00 32.43 C ATOM 0 H THR A 75 -3.277 10.340 0.359 1.00 30.31 H new ATOM 0 HA THR A 75 -3.293 12.185 -1.849 1.00 73.02 H new ATOM 0 HB THR A 75 -5.041 12.014 0.637 1.00 4.13 H new ATOM 0 HG1 THR A 75 -5.415 10.095 -0.430 1.00 60.04 H new ATOM 0 HG21 THR A 75 -6.803 13.121 -0.701 1.00 32.43 H new ATOM 0 HG22 THR A 75 -5.369 14.153 -0.491 1.00 32.43 H new ATOM 0 HG23 THR A 75 -5.648 13.321 -2.039 1.00 32.43 H new ATOM 1239 N GLN A 76 -2.099 13.256 0.996 1.00 10.54 N ATOM 1240 CA GLN A 76 -1.373 14.379 1.644 1.00 31.13 C ATOM 1241 C GLN A 76 -0.008 14.594 0.975 1.00 63.31 C ATOM 1242 O GLN A 76 0.326 15.709 0.559 1.00 45.33 O ATOM 1243 CB GLN A 76 -1.173 14.115 3.163 1.00 25.25 C ATOM 1244 CG GLN A 76 -2.460 14.148 4.010 1.00 5.34 C ATOM 1245 CD GLN A 76 -2.249 13.749 5.476 1.00 45.41 C ATOM 1246 OE1 GLN A 76 -1.329 12.824 5.737 1.00 44.23 O flip ATOM 1247 NE2 GLN A 76 -2.938 14.246 6.372 1.00 71.20 N flip ATOM 0 H GLN A 76 -2.035 12.375 1.506 1.00 10.54 H new ATOM 0 HA GLN A 76 -1.978 15.277 1.524 1.00 31.13 H new ATOM 0 HB2 GLN A 76 -0.701 13.141 3.287 1.00 25.25 H new ATOM 0 HB3 GLN A 76 -0.479 14.858 3.556 1.00 25.25 H new ATOM 0 HG2 GLN A 76 -2.881 15.153 3.974 1.00 5.34 H new ATOM 0 HG3 GLN A 76 -3.195 13.478 3.563 1.00 5.34 H new ATOM 0 HE21 GLN A 76 -3.637 14.954 6.145 1.00 71.20 H new ATOM 0 HE22 GLN A 76 -2.808 13.949 7.339 1.00 71.20 H new ATOM 1256 N THR A 77 0.766 13.497 0.870 1.00 12.33 N ATOM 1257 CA THR A 77 2.155 13.520 0.374 1.00 51.40 C ATOM 1258 C THR A 77 2.205 13.755 -1.153 1.00 55.43 C ATOM 1259 O THR A 77 1.170 13.899 -1.800 1.00 22.11 O ATOM 1260 CB THR A 77 2.905 12.185 0.758 1.00 12.31 C ATOM 1261 OG1 THR A 77 4.316 12.362 0.594 1.00 54.11 O ATOM 1262 CG2 THR A 77 2.457 10.965 -0.082 1.00 60.31 C ATOM 0 H THR A 77 0.443 12.565 1.128 1.00 12.33 H new ATOM 0 HA THR A 77 2.666 14.354 0.854 1.00 51.40 H new ATOM 0 HB THR A 77 2.650 11.976 1.797 1.00 12.31 H new ATOM 0 HG1 THR A 77 4.780 11.533 0.834 1.00 54.11 H new ATOM 0 HG21 THR A 77 3.012 10.082 0.234 1.00 60.31 H new ATOM 0 HG22 THR A 77 1.390 10.795 0.064 1.00 60.31 H new ATOM 0 HG23 THR A 77 2.652 11.158 -1.137 1.00 60.31 H new ATOM 1270 N LYS A 78 3.425 13.837 -1.703 1.00 32.43 N ATOM 1271 CA LYS A 78 3.670 13.830 -3.164 1.00 71.24 C ATOM 1272 C LYS A 78 4.789 12.830 -3.494 1.00 51.22 C ATOM 1273 O LYS A 78 5.116 12.619 -4.672 1.00 51.44 O ATOM 1274 CB LYS A 78 4.070 15.247 -3.660 1.00 24.33 C ATOM 1275 CG LYS A 78 5.437 15.728 -3.139 1.00 12.41 C ATOM 1276 CD LYS A 78 5.780 17.174 -3.543 1.00 52.44 C ATOM 1277 CE LYS A 78 7.165 17.599 -3.023 1.00 32.32 C ATOM 1278 NZ LYS A 78 7.306 17.412 -1.546 1.00 24.23 N ATOM 0 H LYS A 78 4.278 13.911 -1.149 1.00 32.43 H new ATOM 0 HA LYS A 78 2.752 13.532 -3.670 1.00 71.24 H new ATOM 0 HB2 LYS A 78 4.087 15.248 -4.750 1.00 24.33 H new ATOM 0 HB3 LYS A 78 3.304 15.959 -3.352 1.00 24.33 H new ATOM 0 HG2 LYS A 78 5.449 15.651 -2.052 1.00 12.41 H new ATOM 0 HG3 LYS A 78 6.214 15.061 -3.514 1.00 12.41 H new ATOM 0 HD2 LYS A 78 5.756 17.263 -4.629 1.00 52.44 H new ATOM 0 HD3 LYS A 78 5.021 17.851 -3.151 1.00 52.44 H new ATOM 0 HE2 LYS A 78 7.934 17.020 -3.534 1.00 32.32 H new ATOM 0 HE3 LYS A 78 7.337 18.646 -3.271 1.00 32.32 H new ATOM 0 HZ1 LYS A 78 8.128 17.950 -1.205 1.00 24.23 H new ATOM 0 HZ2 LYS A 78 6.447 17.753 -1.069 1.00 24.23 H new ATOM 0 HZ3 LYS A 78 7.442 16.403 -1.335 1.00 24.23 H new ATOM 1292 N GLU A 79 5.352 12.212 -2.432 1.00 64.34 N ATOM 1293 CA GLU A 79 6.571 11.413 -2.521 1.00 13.54 C ATOM 1294 C GLU A 79 6.335 10.155 -3.349 1.00 0.43 C ATOM 1295 O GLU A 79 5.421 9.377 -3.063 1.00 71.24 O ATOM 1296 CB GLU A 79 7.105 11.042 -1.117 1.00 34.43 C ATOM 1297 CG GLU A 79 7.382 12.241 -0.194 1.00 1.50 C ATOM 1298 CD GLU A 79 8.256 13.331 -0.839 1.00 45.14 C ATOM 1299 OE1 GLU A 79 9.458 13.074 -1.076 1.00 52.51 O ATOM 1300 OE2 GLU A 79 7.750 14.448 -1.111 1.00 32.30 O ATOM 0 H GLU A 79 4.964 12.260 -1.490 1.00 64.34 H new ATOM 0 HA GLU A 79 7.327 12.020 -3.020 1.00 13.54 H new ATOM 0 HB2 GLU A 79 6.383 10.386 -0.631 1.00 34.43 H new ATOM 0 HB3 GLU A 79 8.026 10.471 -1.233 1.00 34.43 H new ATOM 0 HG2 GLU A 79 6.432 12.682 0.109 1.00 1.50 H new ATOM 0 HG3 GLU A 79 7.872 11.885 0.712 1.00 1.50 H new ATOM 1307 N ARG A 80 7.192 9.980 -4.345 1.00 34.34 N ATOM 1308 CA ARG A 80 7.117 8.878 -5.307 1.00 10.34 C ATOM 1309 C ARG A 80 8.018 7.728 -4.842 1.00 5.31 C ATOM 1310 O ARG A 80 9.107 7.979 -4.298 1.00 72.12 O ATOM 1311 CB ARG A 80 7.541 9.345 -6.732 1.00 43.41 C ATOM 1312 CG ARG A 80 6.471 10.183 -7.452 1.00 25.14 C ATOM 1313 CD ARG A 80 6.964 10.791 -8.775 1.00 71.32 C ATOM 1314 NE ARG A 80 5.909 11.561 -9.454 1.00 4.20 N ATOM 1315 CZ ARG A 80 5.618 12.851 -9.227 1.00 5.11 C ATOM 1316 NH1 ARG A 80 6.292 13.562 -8.319 1.00 22.11 N ATOM 1317 NH2 ARG A 80 4.644 13.424 -9.917 1.00 44.05 N ATOM 0 H ARG A 80 7.976 10.610 -4.514 1.00 34.34 H new ATOM 0 HA ARG A 80 6.084 8.535 -5.359 1.00 10.34 H new ATOM 0 HB2 ARG A 80 8.457 9.930 -6.655 1.00 43.41 H new ATOM 0 HB3 ARG A 80 7.772 8.469 -7.338 1.00 43.41 H new ATOM 0 HG2 ARG A 80 5.601 9.557 -7.650 1.00 25.14 H new ATOM 0 HG3 ARG A 80 6.142 10.985 -6.791 1.00 25.14 H new ATOM 0 HD2 ARG A 80 7.818 11.440 -8.580 1.00 71.32 H new ATOM 0 HD3 ARG A 80 7.312 9.995 -9.433 1.00 71.32 H new ATOM 0 HE ARG A 80 5.353 11.073 -10.156 1.00 4.20 H new ATOM 0 HH11 ARG A 80 7.043 13.125 -7.784 1.00 22.11 H new ATOM 0 HH12 ARG A 80 6.056 14.542 -8.161 1.00 22.11 H new ATOM 0 HH21 ARG A 80 4.125 12.885 -10.611 1.00 44.05 H new ATOM 0 HH22 ARG A 80 4.412 14.404 -9.755 1.00 44.05 H new ATOM 1331 N PRO A 81 7.565 6.454 -5.021 1.00 32.41 N ATOM 1332 CA PRO A 81 8.420 5.278 -4.791 1.00 3.03 C ATOM 1333 C PRO A 81 9.604 5.275 -5.793 1.00 72.12 C ATOM 1334 O PRO A 81 9.412 5.238 -7.015 1.00 71.15 O ATOM 1335 CB PRO A 81 7.453 4.076 -4.990 1.00 75.40 C ATOM 1336 CG PRO A 81 6.069 4.659 -4.921 1.00 51.31 C ATOM 1337 CD PRO A 81 6.197 6.065 -5.447 1.00 2.03 C ATOM 0 HA PRO A 81 8.885 5.252 -3.806 1.00 3.03 H new ATOM 0 HB2 PRO A 81 7.626 3.588 -5.949 1.00 75.40 H new ATOM 0 HB3 PRO A 81 7.600 3.322 -4.217 1.00 75.40 H new ATOM 0 HG2 PRO A 81 5.368 4.078 -5.521 1.00 51.31 H new ATOM 0 HG3 PRO A 81 5.692 4.656 -3.898 1.00 51.31 H new ATOM 0 HD2 PRO A 81 6.085 6.103 -6.531 1.00 2.03 H new ATOM 0 HD3 PRO A 81 5.439 6.725 -5.025 1.00 2.03 H new ATOM 1345 N ARG A 82 10.812 5.315 -5.237 1.00 3.43 N ATOM 1346 CA ARG A 82 12.078 5.496 -5.968 1.00 43.23 C ATOM 1347 C ARG A 82 13.022 4.347 -5.591 1.00 20.53 C ATOM 1348 O ARG A 82 12.837 3.735 -4.539 1.00 13.41 O ATOM 1349 CB ARG A 82 12.662 6.879 -5.570 1.00 11.35 C ATOM 1350 CG ARG A 82 14.024 7.260 -6.197 1.00 73.25 C ATOM 1351 CD ARG A 82 14.473 8.675 -5.791 1.00 34.22 C ATOM 1352 NE ARG A 82 13.488 9.694 -6.193 1.00 43.43 N ATOM 1353 CZ ARG A 82 13.520 10.994 -5.859 1.00 55.11 C ATOM 1354 NH1 ARG A 82 14.493 11.493 -5.096 1.00 51.23 N ATOM 1355 NH2 ARG A 82 12.554 11.794 -6.295 1.00 41.41 N ATOM 0 H ARG A 82 10.949 5.220 -4.231 1.00 3.43 H new ATOM 0 HA ARG A 82 11.935 5.476 -7.048 1.00 43.23 H new ATOM 0 HB2 ARG A 82 11.936 7.646 -5.839 1.00 11.35 H new ATOM 0 HB3 ARG A 82 12.766 6.906 -4.485 1.00 11.35 H new ATOM 0 HG2 ARG A 82 14.780 6.538 -5.888 1.00 73.25 H new ATOM 0 HG3 ARG A 82 13.952 7.201 -7.283 1.00 73.25 H new ATOM 0 HD2 ARG A 82 14.619 8.715 -4.712 1.00 34.22 H new ATOM 0 HD3 ARG A 82 15.436 8.898 -6.251 1.00 34.22 H new ATOM 0 HE ARG A 82 12.712 9.384 -6.778 1.00 43.43 H new ATOM 0 HH11 ARG A 82 15.235 10.883 -4.752 1.00 51.23 H new ATOM 0 HH12 ARG A 82 14.495 12.484 -4.856 1.00 51.23 H new ATOM 0 HH21 ARG A 82 11.803 11.418 -6.874 1.00 41.41 H new ATOM 0 HH22 ARG A 82 12.563 12.784 -6.051 1.00 41.41 H new ATOM 1369 N LEU A 83 14.005 4.031 -6.452 1.00 30.50 N ATOM 1370 CA LEU A 83 14.963 2.935 -6.198 1.00 1.44 C ATOM 1371 C LEU A 83 15.753 3.196 -4.895 1.00 52.04 C ATOM 1372 O LEU A 83 16.605 4.090 -4.840 1.00 3.11 O ATOM 1373 CB LEU A 83 15.916 2.743 -7.412 1.00 62.50 C ATOM 1374 CG LEU A 83 16.983 1.605 -7.276 1.00 3.24 C ATOM 1375 CD1 LEU A 83 16.328 0.243 -6.966 1.00 32.12 C ATOM 1376 CD2 LEU A 83 17.880 1.518 -8.534 1.00 41.11 C ATOM 0 H LEU A 83 14.159 4.520 -7.334 1.00 30.50 H new ATOM 0 HA LEU A 83 14.403 2.009 -6.069 1.00 1.44 H new ATOM 0 HB2 LEU A 83 15.310 2.542 -8.295 1.00 62.50 H new ATOM 0 HB3 LEU A 83 16.438 3.683 -7.591 1.00 62.50 H new ATOM 0 HG LEU A 83 17.620 1.862 -6.430 1.00 3.24 H new ATOM 0 HD11 LEU A 83 17.101 -0.521 -6.879 1.00 32.12 H new ATOM 0 HD12 LEU A 83 15.776 0.310 -6.028 1.00 32.12 H new ATOM 0 HD13 LEU A 83 15.644 -0.023 -7.771 1.00 32.12 H new ATOM 0 HD21 LEU A 83 18.609 0.718 -8.406 1.00 41.11 H new ATOM 0 HD22 LEU A 83 17.262 1.310 -9.408 1.00 41.11 H new ATOM 0 HD23 LEU A 83 18.401 2.465 -8.676 1.00 41.11 H new ATOM 1388 N GLY A 84 15.411 2.429 -3.841 1.00 63.05 N ATOM 1389 CA GLY A 84 16.022 2.579 -2.509 1.00 30.12 C ATOM 1390 C GLY A 84 15.083 3.256 -1.506 1.00 42.14 C ATOM 1391 O GLY A 84 15.224 3.074 -0.292 1.00 44.41 O ATOM 0 H GLY A 84 14.707 1.692 -3.890 1.00 63.05 H new ATOM 0 HA2 GLY A 84 16.306 1.597 -2.130 1.00 30.12 H new ATOM 0 HA3 GLY A 84 16.938 3.164 -2.597 1.00 30.12 H new ATOM 1395 N LYS A 85 14.124 4.038 -2.031 1.00 2.45 N ATOM 1396 CA LYS A 85 13.154 4.818 -1.234 1.00 25.52 C ATOM 1397 C LYS A 85 11.743 4.204 -1.392 1.00 21.14 C ATOM 1398 O LYS A 85 11.105 4.351 -2.438 1.00 31.00 O ATOM 1399 CB LYS A 85 13.204 6.319 -1.711 1.00 53.14 C ATOM 1400 CG LYS A 85 12.361 7.345 -0.892 1.00 32.34 C ATOM 1401 CD LYS A 85 10.872 7.441 -1.328 1.00 3.22 C ATOM 1402 CE LYS A 85 10.056 8.414 -0.465 1.00 2.13 C ATOM 1403 NZ LYS A 85 10.027 7.999 0.967 1.00 14.42 N ATOM 0 H LYS A 85 13.997 4.149 -3.037 1.00 2.45 H new ATOM 0 HA LYS A 85 13.406 4.787 -0.174 1.00 25.52 H new ATOM 0 HB2 LYS A 85 14.244 6.646 -1.697 1.00 53.14 H new ATOM 0 HB3 LYS A 85 12.872 6.357 -2.748 1.00 53.14 H new ATOM 0 HG2 LYS A 85 12.402 7.072 0.162 1.00 32.34 H new ATOM 0 HG3 LYS A 85 12.819 8.330 -0.984 1.00 32.34 H new ATOM 0 HD2 LYS A 85 10.824 7.759 -2.369 1.00 3.22 H new ATOM 0 HD3 LYS A 85 10.419 6.451 -1.276 1.00 3.22 H new ATOM 0 HE2 LYS A 85 10.482 9.414 -0.544 1.00 2.13 H new ATOM 0 HE3 LYS A 85 9.037 8.471 -0.847 1.00 2.13 H new ATOM 0 HZ1 LYS A 85 9.276 8.519 1.464 1.00 14.42 H new ATOM 0 HZ2 LYS A 85 9.840 6.978 1.029 1.00 14.42 H new ATOM 0 HZ3 LYS A 85 10.945 8.211 1.408 1.00 14.42 H new ATOM 1417 N ALA A 86 11.278 3.482 -0.361 1.00 41.41 N ATOM 1418 CA ALA A 86 9.879 3.011 -0.283 1.00 44.42 C ATOM 1419 C ALA A 86 9.017 4.094 0.384 1.00 65.41 C ATOM 1420 O ALA A 86 9.496 4.795 1.284 1.00 54.42 O ATOM 1421 CB ALA A 86 9.789 1.691 0.503 1.00 74.10 C ATOM 0 H ALA A 86 11.851 3.208 0.437 1.00 41.41 H new ATOM 0 HA ALA A 86 9.510 2.824 -1.291 1.00 44.42 H new ATOM 0 HB1 ALA A 86 8.750 1.364 0.547 1.00 74.10 H new ATOM 0 HB2 ALA A 86 10.388 0.929 0.005 1.00 74.10 H new ATOM 0 HB3 ALA A 86 10.165 1.844 1.515 1.00 74.10 H new ATOM 1427 N VAL A 87 7.765 4.246 -0.069 1.00 54.22 N ATOM 1428 CA VAL A 87 6.802 5.152 0.577 1.00 51.42 C ATOM 1429 C VAL A 87 6.149 4.392 1.750 1.00 31.43 C ATOM 1430 O VAL A 87 5.134 3.709 1.590 1.00 63.43 O ATOM 1431 CB VAL A 87 5.739 5.696 -0.467 1.00 32.45 C ATOM 1432 CG1 VAL A 87 4.669 6.603 0.192 1.00 1.51 C ATOM 1433 CG2 VAL A 87 6.456 6.444 -1.618 1.00 34.24 C ATOM 0 H VAL A 87 7.394 3.753 -0.881 1.00 54.22 H new ATOM 0 HA VAL A 87 7.309 6.035 0.966 1.00 51.42 H new ATOM 0 HB VAL A 87 5.212 4.832 -0.872 1.00 32.45 H new ATOM 0 HG11 VAL A 87 3.967 6.948 -0.567 1.00 1.51 H new ATOM 0 HG12 VAL A 87 4.132 6.038 0.953 1.00 1.51 H new ATOM 0 HG13 VAL A 87 5.155 7.462 0.654 1.00 1.51 H new ATOM 0 HG21 VAL A 87 5.716 6.813 -2.329 1.00 34.24 H new ATOM 0 HG22 VAL A 87 7.019 7.284 -1.211 1.00 34.24 H new ATOM 0 HG23 VAL A 87 7.138 5.762 -2.126 1.00 34.24 H new ATOM 1443 N SER A 88 6.799 4.481 2.924 1.00 0.51 N ATOM 1444 CA SER A 88 6.376 3.771 4.139 1.00 41.42 C ATOM 1445 C SER A 88 5.227 4.535 4.806 1.00 44.41 C ATOM 1446 O SER A 88 5.441 5.563 5.459 1.00 51.42 O ATOM 1447 CB SER A 88 7.568 3.604 5.110 1.00 50.32 C ATOM 1448 OG SER A 88 7.187 2.919 6.295 1.00 4.41 O ATOM 0 H SER A 88 7.635 5.050 3.055 1.00 0.51 H new ATOM 0 HA SER A 88 6.024 2.775 3.870 1.00 41.42 H new ATOM 0 HB2 SER A 88 8.368 3.055 4.613 1.00 50.32 H new ATOM 0 HB3 SER A 88 7.967 4.585 5.369 1.00 50.32 H new ATOM 0 HG SER A 88 7.964 2.829 6.885 1.00 4.41 H new ATOM 1454 N ILE A 89 4.014 4.041 4.576 1.00 22.30 N ATOM 1455 CA ILE A 89 2.777 4.576 5.150 1.00 61.35 C ATOM 1456 C ILE A 89 2.599 4.030 6.587 1.00 21.13 C ATOM 1457 O ILE A 89 2.408 2.821 6.753 1.00 53.21 O ATOM 1458 CB ILE A 89 1.551 4.144 4.266 1.00 4.22 C ATOM 1459 CG1 ILE A 89 1.769 4.581 2.781 1.00 15.15 C ATOM 1460 CG2 ILE A 89 0.220 4.688 4.838 1.00 44.51 C ATOM 1461 CD1 ILE A 89 0.725 4.076 1.810 1.00 74.11 C ATOM 0 H ILE A 89 3.857 3.236 3.970 1.00 22.30 H new ATOM 0 HA ILE A 89 2.832 5.664 5.178 1.00 61.35 H new ATOM 0 HB ILE A 89 1.480 3.057 4.288 1.00 4.22 H new ATOM 0 HG12 ILE A 89 1.789 5.670 2.737 1.00 15.15 H new ATOM 0 HG13 ILE A 89 2.748 4.231 2.454 1.00 15.15 H new ATOM 0 HG21 ILE A 89 -0.606 4.370 4.202 1.00 44.51 H new ATOM 0 HG22 ILE A 89 0.072 4.301 5.846 1.00 44.51 H new ATOM 0 HG23 ILE A 89 0.256 5.777 4.869 1.00 44.51 H new ATOM 0 HD11 ILE A 89 0.960 4.430 0.806 1.00 74.11 H new ATOM 0 HD12 ILE A 89 0.718 2.986 1.818 1.00 74.11 H new ATOM 0 HD13 ILE A 89 -0.256 4.448 2.105 1.00 74.11 H new ATOM 1473 N PRO A 90 2.704 4.887 7.649 1.00 70.23 N ATOM 1474 CA PRO A 90 2.451 4.445 9.027 1.00 22.41 C ATOM 1475 C PRO A 90 0.941 4.267 9.282 1.00 72.35 C ATOM 1476 O PRO A 90 0.165 5.234 9.226 1.00 30.31 O ATOM 1477 CB PRO A 90 3.065 5.584 9.884 1.00 11.23 C ATOM 1478 CG PRO A 90 2.977 6.809 9.021 1.00 24.01 C ATOM 1479 CD PRO A 90 3.084 6.325 7.587 1.00 2.44 C ATOM 0 HA PRO A 90 2.886 3.473 9.260 1.00 22.41 H new ATOM 0 HB2 PRO A 90 2.515 5.717 10.816 1.00 11.23 H new ATOM 0 HB3 PRO A 90 4.098 5.363 10.152 1.00 11.23 H new ATOM 0 HG2 PRO A 90 2.036 7.334 9.185 1.00 24.01 H new ATOM 0 HG3 PRO A 90 3.778 7.509 9.256 1.00 24.01 H new ATOM 0 HD2 PRO A 90 2.418 6.883 6.929 1.00 2.44 H new ATOM 0 HD3 PRO A 90 4.095 6.452 7.200 1.00 2.44 H new ATOM 1487 N LEU A 91 0.526 3.016 9.519 1.00 64.01 N ATOM 1488 CA LEU A 91 -0.851 2.712 9.900 1.00 40.45 C ATOM 1489 C LEU A 91 -0.989 2.963 11.401 1.00 63.23 C ATOM 1490 O LEU A 91 -0.635 2.106 12.219 1.00 42.21 O ATOM 1491 CB LEU A 91 -1.227 1.256 9.516 1.00 45.41 C ATOM 1492 CG LEU A 91 -1.059 0.877 8.010 1.00 14.14 C ATOM 1493 CD1 LEU A 91 -1.591 -0.543 7.736 1.00 13.34 C ATOM 1494 CD2 LEU A 91 -1.718 1.921 7.086 1.00 44.11 C ATOM 0 H LEU A 91 1.131 2.197 9.452 1.00 64.01 H new ATOM 0 HA LEU A 91 -1.545 3.356 9.360 1.00 40.45 H new ATOM 0 HB2 LEU A 91 -0.617 0.576 10.111 1.00 45.41 H new ATOM 0 HB3 LEU A 91 -2.265 1.084 9.799 1.00 45.41 H new ATOM 0 HG LEU A 91 0.007 0.879 7.783 1.00 14.14 H new ATOM 0 HD11 LEU A 91 -1.462 -0.782 6.680 1.00 13.34 H new ATOM 0 HD12 LEU A 91 -1.038 -1.262 8.341 1.00 13.34 H new ATOM 0 HD13 LEU A 91 -2.649 -0.591 7.992 1.00 13.34 H new ATOM 0 HD21 LEU A 91 -1.581 1.624 6.046 1.00 44.11 H new ATOM 0 HD22 LEU A 91 -2.783 1.983 7.309 1.00 44.11 H new ATOM 0 HD23 LEU A 91 -1.256 2.895 7.249 1.00 44.11 H new ATOM 1506 N ASP A 92 -1.411 4.190 11.743 1.00 30.42 N ATOM 1507 CA ASP A 92 -1.578 4.616 13.142 1.00 0.31 C ATOM 1508 C ASP A 92 -2.746 3.848 13.762 1.00 20.45 C ATOM 1509 O ASP A 92 -3.918 4.160 13.510 1.00 35.01 O ATOM 1510 CB ASP A 92 -1.798 6.150 13.241 1.00 4.33 C ATOM 1511 CG ASP A 92 -1.818 6.667 14.698 1.00 64.30 C ATOM 1512 OD1 ASP A 92 -0.734 6.987 15.243 1.00 20.32 O ATOM 1513 OD2 ASP A 92 -2.909 6.757 15.307 1.00 60.31 O ATOM 0 H ASP A 92 -1.645 4.912 11.062 1.00 30.42 H new ATOM 0 HA ASP A 92 -0.667 4.390 13.696 1.00 0.31 H new ATOM 0 HB2 ASP A 92 -1.007 6.661 12.691 1.00 4.33 H new ATOM 0 HB3 ASP A 92 -2.740 6.408 12.757 1.00 4.33 H new ATOM 1518 N LEU A 93 -2.408 2.791 14.506 1.00 63.32 N ATOM 1519 CA LEU A 93 -3.382 1.911 15.155 1.00 70.31 C ATOM 1520 C LEU A 93 -3.124 1.895 16.670 1.00 3.52 C ATOM 1521 O LEU A 93 -2.365 1.060 17.181 1.00 35.43 O ATOM 1522 CB LEU A 93 -3.306 0.478 14.552 1.00 52.34 C ATOM 1523 CG LEU A 93 -3.508 0.346 13.009 1.00 52.14 C ATOM 1524 CD1 LEU A 93 -3.373 -1.125 12.565 1.00 25.22 C ATOM 1525 CD2 LEU A 93 -4.854 0.961 12.547 1.00 24.24 C ATOM 0 H LEU A 93 -1.439 2.520 14.676 1.00 63.32 H new ATOM 0 HA LEU A 93 -4.389 2.288 14.978 1.00 70.31 H new ATOM 0 HB2 LEU A 93 -2.333 0.056 14.804 1.00 52.34 H new ATOM 0 HB3 LEU A 93 -4.058 -0.138 15.046 1.00 52.34 H new ATOM 0 HG LEU A 93 -2.719 0.918 12.522 1.00 52.14 H new ATOM 0 HD11 LEU A 93 -3.517 -1.194 11.487 1.00 25.22 H new ATOM 0 HD12 LEU A 93 -2.380 -1.493 12.823 1.00 25.22 H new ATOM 0 HD13 LEU A 93 -4.126 -1.728 13.071 1.00 25.22 H new ATOM 0 HD21 LEU A 93 -4.954 0.848 11.468 1.00 24.24 H new ATOM 0 HD22 LEU A 93 -5.678 0.448 13.044 1.00 24.24 H new ATOM 0 HD23 LEU A 93 -4.878 2.020 12.804 1.00 24.24 H new ATOM 1537 N GLY A 94 -3.705 2.877 17.364 1.00 12.22 N ATOM 1538 CA GLY A 94 -3.729 2.909 18.825 1.00 50.33 C ATOM 1539 C GLY A 94 -5.158 2.899 19.326 1.00 62.23 C ATOM 1540 O GLY A 94 -5.645 1.885 19.842 1.00 21.22 O ATOM 0 H GLY A 94 -4.172 3.672 16.927 1.00 12.22 H new ATOM 0 HA2 GLY A 94 -3.190 2.049 19.224 1.00 50.33 H new ATOM 0 HA3 GLY A 94 -3.216 3.801 19.185 1.00 50.33 H new ATOM 1544 N GLU A 95 -5.844 4.031 19.108 1.00 30.24 N ATOM 1545 CA GLU A 95 -7.265 4.206 19.460 1.00 73.35 C ATOM 1546 C GLU A 95 -8.166 3.500 18.421 1.00 10.34 C ATOM 1547 O GLU A 95 -9.199 2.915 18.770 1.00 14.05 O ATOM 1548 CB GLU A 95 -7.601 5.719 19.565 1.00 64.03 C ATOM 1549 CG GLU A 95 -6.704 6.486 20.560 1.00 44.02 C ATOM 1550 CD GLU A 95 -7.051 7.981 20.681 1.00 11.13 C ATOM 1551 OE1 GLU A 95 -8.097 8.310 21.288 1.00 70.05 O ATOM 1552 OE2 GLU A 95 -6.278 8.841 20.188 1.00 11.25 O ATOM 0 H GLU A 95 -5.427 4.858 18.680 1.00 30.24 H new ATOM 0 HA GLU A 95 -7.455 3.747 20.430 1.00 73.35 H new ATOM 0 HB2 GLU A 95 -7.505 6.173 18.579 1.00 64.03 H new ATOM 0 HB3 GLU A 95 -8.642 5.831 19.867 1.00 64.03 H new ATOM 0 HG2 GLU A 95 -6.788 6.022 21.543 1.00 44.02 H new ATOM 0 HG3 GLU A 95 -5.664 6.388 20.248 1.00 44.02 H new ATOM 1559 N ARG A 96 -7.735 3.537 17.141 1.00 40.45 N ATOM 1560 CA ARG A 96 -8.435 2.863 16.020 1.00 21.10 C ATOM 1561 C ARG A 96 -8.156 1.345 16.005 1.00 3.22 C ATOM 1562 O ARG A 96 -8.819 0.596 15.293 1.00 11.43 O ATOM 1563 CB ARG A 96 -8.032 3.494 14.661 1.00 55.10 C ATOM 1564 CG ARG A 96 -8.381 4.996 14.498 1.00 64.22 C ATOM 1565 CD ARG A 96 -9.887 5.287 14.620 1.00 25.45 C ATOM 1566 NE ARG A 96 -10.684 4.445 13.708 1.00 63.33 N ATOM 1567 CZ ARG A 96 -11.282 4.849 12.574 1.00 53.23 C ATOM 1568 NH1 ARG A 96 -11.212 6.113 12.158 1.00 14.00 N ATOM 1569 NH2 ARG A 96 -11.959 3.974 11.855 1.00 52.45 N ATOM 0 H ARG A 96 -6.892 4.034 16.854 1.00 40.45 H new ATOM 0 HA ARG A 96 -9.505 3.007 16.172 1.00 21.10 H new ATOM 0 HB2 ARG A 96 -6.957 3.371 14.527 1.00 55.10 H new ATOM 0 HB3 ARG A 96 -8.519 2.936 13.861 1.00 55.10 H new ATOM 0 HG2 ARG A 96 -7.845 5.571 15.253 1.00 64.22 H new ATOM 0 HG3 ARG A 96 -8.029 5.340 13.526 1.00 64.22 H new ATOM 0 HD2 ARG A 96 -10.208 5.115 15.647 1.00 25.45 H new ATOM 0 HD3 ARG A 96 -10.073 6.338 14.400 1.00 25.45 H new ATOM 0 HE ARG A 96 -10.792 3.463 13.962 1.00 63.33 H new ATOM 0 HH11 ARG A 96 -10.695 6.802 12.704 1.00 14.00 H new ATOM 0 HH12 ARG A 96 -11.676 6.392 11.293 1.00 14.00 H new ATOM 0 HH21 ARG A 96 -12.024 3.003 12.162 1.00 52.45 H new ATOM 0 HH22 ARG A 96 -12.417 4.268 10.993 1.00 52.45 H new ATOM 1583 N ALA A 97 -7.163 0.894 16.794 1.00 54.40 N ATOM 1584 CA ALA A 97 -6.896 -0.549 16.989 1.00 21.32 C ATOM 1585 C ALA A 97 -7.898 -1.165 17.980 1.00 15.22 C ATOM 1586 O ALA A 97 -8.015 -2.383 18.058 1.00 11.33 O ATOM 1587 CB ALA A 97 -5.459 -0.780 17.477 1.00 54.24 C ATOM 0 H ALA A 97 -6.530 1.506 17.309 1.00 54.40 H new ATOM 0 HA ALA A 97 -7.017 -1.041 16.024 1.00 21.32 H new ATOM 0 HB1 ALA A 97 -5.288 -1.848 17.613 1.00 54.24 H new ATOM 0 HB2 ALA A 97 -4.757 -0.391 16.739 1.00 54.24 H new ATOM 0 HB3 ALA A 97 -5.310 -0.265 18.426 1.00 54.24 H new ATOM 1593 N SER A 98 -8.601 -0.302 18.734 1.00 4.32 N ATOM 1594 CA SER A 98 -9.550 -0.709 19.783 1.00 45.31 C ATOM 1595 C SER A 98 -10.997 -0.815 19.253 1.00 20.12 C ATOM 1596 O SER A 98 -11.853 -1.399 19.921 1.00 72.13 O ATOM 1597 CB SER A 98 -9.477 0.306 20.953 1.00 2.24 C ATOM 1598 OG SER A 98 -10.275 -0.095 22.053 1.00 34.35 O ATOM 0 H SER A 98 -8.525 0.710 18.630 1.00 4.32 H new ATOM 0 HA SER A 98 -9.268 -1.703 20.130 1.00 45.31 H new ATOM 0 HB2 SER A 98 -8.442 0.413 21.276 1.00 2.24 H new ATOM 0 HB3 SER A 98 -9.805 1.285 20.605 1.00 2.24 H new ATOM 0 HG SER A 98 -10.942 -0.747 21.753 1.00 34.35 H new ATOM 1604 N GLU A 99 -11.254 -0.267 18.043 1.00 24.02 N ATOM 1605 CA GLU A 99 -12.626 -0.135 17.483 1.00 52.25 C ATOM 1606 C GLU A 99 -13.293 -1.508 17.249 1.00 73.42 C ATOM 1607 O GLU A 99 -14.504 -1.665 17.436 1.00 41.41 O ATOM 1608 CB GLU A 99 -12.606 0.683 16.153 1.00 74.32 C ATOM 1609 CG GLU A 99 -11.918 -0.026 14.961 1.00 0.12 C ATOM 1610 CD GLU A 99 -11.995 0.759 13.642 1.00 62.44 C ATOM 1611 OE1 GLU A 99 -13.018 0.639 12.929 1.00 74.12 O ATOM 1612 OE2 GLU A 99 -11.046 1.499 13.313 1.00 4.13 O ATOM 0 H GLU A 99 -10.525 0.095 17.429 1.00 24.02 H new ATOM 0 HA GLU A 99 -13.220 0.401 18.223 1.00 52.25 H new ATOM 0 HB2 GLU A 99 -13.633 0.919 15.873 1.00 74.32 H new ATOM 0 HB3 GLU A 99 -12.100 1.631 16.334 1.00 74.32 H new ATOM 0 HG2 GLU A 99 -10.871 -0.199 15.209 1.00 0.12 H new ATOM 0 HG3 GLU A 99 -12.378 -1.004 14.818 1.00 0.12 H new ATOM 1619 N TRP A 100 -12.477 -2.496 16.855 1.00 53.42 N ATOM 1620 CA TRP A 100 -12.951 -3.838 16.477 1.00 41.13 C ATOM 1621 C TRP A 100 -12.909 -4.808 17.675 1.00 10.12 C ATOM 1622 O TRP A 100 -13.355 -5.956 17.570 1.00 43.45 O ATOM 1623 CB TRP A 100 -12.147 -4.356 15.252 1.00 74.24 C ATOM 1624 CG TRP A 100 -10.642 -4.454 15.431 1.00 2.21 C ATOM 1625 CD1 TRP A 100 -9.728 -3.431 15.408 1.00 35.42 C ATOM 1626 CD2 TRP A 100 -9.879 -5.656 15.614 1.00 73.11 C ATOM 1627 NE1 TRP A 100 -8.460 -3.926 15.580 1.00 73.13 N ATOM 1628 CE2 TRP A 100 -8.525 -5.286 15.708 1.00 53.31 C ATOM 1629 CE3 TRP A 100 -10.218 -7.007 15.715 1.00 13.23 C ATOM 1630 CZ2 TRP A 100 -7.509 -6.221 15.895 1.00 4.33 C ATOM 1631 CZ3 TRP A 100 -9.211 -7.934 15.900 1.00 40.23 C ATOM 1632 CH2 TRP A 100 -7.870 -7.537 15.988 1.00 35.32 C ATOM 0 H TRP A 100 -11.465 -2.388 16.789 1.00 53.42 H new ATOM 0 HA TRP A 100 -13.998 -3.776 16.180 1.00 41.13 H new ATOM 0 HB2 TRP A 100 -12.525 -5.343 14.986 1.00 74.24 H new ATOM 0 HB3 TRP A 100 -12.349 -3.699 14.406 1.00 74.24 H new ATOM 0 HD1 TRP A 100 -9.971 -2.387 15.274 1.00 35.42 H new ATOM 0 HE1 TRP A 100 -7.606 -3.369 15.608 1.00 73.13 H new ATOM 0 HE3 TRP A 100 -11.249 -7.321 15.650 1.00 13.23 H new ATOM 0 HZ2 TRP A 100 -6.475 -5.918 15.964 1.00 4.33 H new ATOM 0 HZ3 TRP A 100 -9.461 -8.982 15.978 1.00 40.23 H new ATOM 0 HH2 TRP A 100 -7.105 -8.286 16.132 1.00 35.32 H new ATOM 1643 N ILE A 101 -12.365 -4.333 18.814 1.00 44.10 N ATOM 1644 CA ILE A 101 -12.460 -5.032 20.105 1.00 52.03 C ATOM 1645 C ILE A 101 -13.800 -4.628 20.761 1.00 53.13 C ATOM 1646 O ILE A 101 -13.966 -3.488 21.213 1.00 24.13 O ATOM 1647 CB ILE A 101 -11.228 -4.699 21.056 1.00 15.53 C ATOM 1648 CG1 ILE A 101 -9.918 -5.430 20.590 1.00 71.31 C ATOM 1649 CG2 ILE A 101 -11.524 -5.039 22.546 1.00 32.32 C ATOM 1650 CD1 ILE A 101 -9.334 -4.963 19.272 1.00 74.05 C ATOM 0 H ILE A 101 -11.849 -3.455 18.861 1.00 44.10 H new ATOM 0 HA ILE A 101 -12.428 -6.109 19.941 1.00 52.03 H new ATOM 0 HB ILE A 101 -11.071 -3.623 20.980 1.00 15.53 H new ATOM 0 HG12 ILE A 101 -9.161 -5.307 21.365 1.00 71.31 H new ATOM 0 HG13 ILE A 101 -10.127 -6.497 20.515 1.00 71.31 H new ATOM 0 HG21 ILE A 101 -10.654 -4.794 23.155 1.00 32.32 H new ATOM 0 HG22 ILE A 101 -12.381 -4.459 22.888 1.00 32.32 H new ATOM 0 HG23 ILE A 101 -11.745 -6.102 22.640 1.00 32.32 H new ATOM 0 HD11 ILE A 101 -8.433 -5.536 19.050 1.00 74.05 H new ATOM 0 HD12 ILE A 101 -10.065 -5.113 18.477 1.00 74.05 H new ATOM 0 HD13 ILE A 101 -9.083 -3.904 19.340 1.00 74.05 H new ATOM 1662 N ILE A 102 -14.775 -5.555 20.751 1.00 61.13 N ATOM 1663 CA ILE A 102 -16.110 -5.334 21.337 1.00 41.31 C ATOM 1664 C ILE A 102 -16.217 -6.138 22.648 1.00 23.02 C ATOM 1665 O ILE A 102 -16.813 -7.224 22.704 1.00 11.42 O ATOM 1666 CB ILE A 102 -17.261 -5.715 20.317 1.00 52.31 C ATOM 1667 CG1 ILE A 102 -17.051 -5.007 18.934 1.00 32.44 C ATOM 1668 CG2 ILE A 102 -18.666 -5.387 20.892 1.00 42.23 C ATOM 1669 CD1 ILE A 102 -17.082 -3.483 18.968 1.00 60.13 C ATOM 0 H ILE A 102 -14.659 -6.480 20.336 1.00 61.13 H new ATOM 0 HA ILE A 102 -16.237 -4.274 21.559 1.00 41.31 H new ATOM 0 HB ILE A 102 -17.208 -6.792 20.160 1.00 52.31 H new ATOM 0 HG12 ILE A 102 -16.092 -5.325 18.524 1.00 32.44 H new ATOM 0 HG13 ILE A 102 -17.822 -5.354 18.247 1.00 32.44 H new ATOM 0 HG21 ILE A 102 -19.430 -5.662 20.165 1.00 42.23 H new ATOM 0 HG22 ILE A 102 -18.823 -5.949 21.813 1.00 42.23 H new ATOM 0 HG23 ILE A 102 -18.733 -4.320 21.103 1.00 42.23 H new ATOM 0 HD11 ILE A 102 -16.927 -3.093 17.962 1.00 60.13 H new ATOM 0 HD12 ILE A 102 -18.049 -3.147 19.342 1.00 60.13 H new ATOM 0 HD13 ILE A 102 -16.292 -3.118 19.624 1.00 60.13 H new ATOM 1681 N LEU A 103 -15.535 -5.630 23.688 1.00 24.04 N ATOM 1682 CA LEU A 103 -15.578 -6.200 25.044 1.00 13.24 C ATOM 1683 C LEU A 103 -16.314 -5.217 25.971 1.00 12.22 C ATOM 1684 O LEU A 103 -15.701 -4.379 26.648 1.00 14.22 O ATOM 1685 CB LEU A 103 -14.143 -6.529 25.562 1.00 30.12 C ATOM 1686 CG LEU A 103 -13.368 -7.659 24.803 1.00 24.54 C ATOM 1687 CD1 LEU A 103 -11.944 -7.858 25.381 1.00 13.22 C ATOM 1688 CD2 LEU A 103 -14.164 -8.988 24.799 1.00 23.12 C ATOM 0 H LEU A 103 -14.936 -4.808 23.611 1.00 24.04 H new ATOM 0 HA LEU A 103 -16.123 -7.144 25.029 1.00 13.24 H new ATOM 0 HB2 LEU A 103 -13.547 -5.617 25.518 1.00 30.12 H new ATOM 0 HB3 LEU A 103 -14.216 -6.811 26.612 1.00 30.12 H new ATOM 0 HG LEU A 103 -13.259 -7.338 23.767 1.00 24.54 H new ATOM 0 HD11 LEU A 103 -11.435 -8.649 24.831 1.00 13.22 H new ATOM 0 HD12 LEU A 103 -11.380 -6.930 25.287 1.00 13.22 H new ATOM 0 HD13 LEU A 103 -12.014 -8.135 26.433 1.00 13.22 H new ATOM 0 HD21 LEU A 103 -13.597 -9.750 24.264 1.00 23.12 H new ATOM 0 HD22 LEU A 103 -14.332 -9.314 25.825 1.00 23.12 H new ATOM 0 HD23 LEU A 103 -15.124 -8.836 24.305 1.00 23.12 H new ATOM 1700 N GLU A 104 -17.649 -5.299 25.936 1.00 3.42 N ATOM 1701 CA GLU A 104 -18.548 -4.448 26.725 1.00 71.00 C ATOM 1702 C GLU A 104 -19.226 -5.284 27.846 1.00 51.15 C ATOM 1703 O GLU A 104 -18.858 -5.118 29.035 1.00 4.24 O ATOM 1704 CB GLU A 104 -19.581 -3.737 25.778 1.00 72.42 C ATOM 1705 CG GLU A 104 -20.193 -4.620 24.656 1.00 75.01 C ATOM 1706 CD GLU A 104 -21.052 -3.813 23.661 1.00 20.31 C ATOM 1707 OE1 GLU A 104 -20.476 -3.072 22.830 1.00 3.45 O ATOM 1708 OE2 GLU A 104 -22.301 -3.914 23.702 1.00 12.35 O ATOM 0 H GLU A 104 -18.144 -5.970 25.348 1.00 3.42 H new ATOM 0 HA GLU A 104 -17.979 -3.661 27.220 1.00 71.00 H new ATOM 0 HB2 GLU A 104 -20.394 -3.345 26.389 1.00 72.42 H new ATOM 0 HB3 GLU A 104 -19.090 -2.882 25.313 1.00 72.42 H new ATOM 0 HG2 GLU A 104 -19.390 -5.119 24.114 1.00 75.01 H new ATOM 0 HG3 GLU A 104 -20.805 -5.400 25.108 1.00 75.01 H new TER 1715 GLU A 104