USER MOD reduce.3.24.130724 H: found=0, std=0, add=538, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 539 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 45 TYR OH : rot -25:sc= 1.05 USER MOD Set 1.2: A 48 THR OG1 : rot 180:sc= 0.937 USER MOD Set 2.1: A 9 TYR OH : rot 17:sc= 1.47 USER MOD Set 2.2: A 35 TYR OH : rot 0:sc= 0.615 USER MOD Set 3.1: A 34 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 61 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 6 THR OG1 : rot -56:sc= 0.337 USER MOD Set 4.2: A 71 ASN : amide:sc= 0.13 K(o=0.47,f=-1.6!) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= -1.68 K(o=-1.7,f=-3.5!) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -154:sc= 1.3 (180deg=0.442) USER MOD Single : A 29 THR OG1 : rot 50:sc= 0.217 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.0249 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= -0.0685 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 75 HIS : no HE2:sc= 0.16 K(o=0.16,f=-0.6) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 HIS : no HD1:sc= 0.203 K(o=0.2,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 20 N ASP A 2 -5.325 20.297 0.506 1.00 44.11 N ATOM 21 CA ASP A 2 -5.050 19.019 -0.179 1.00 13.12 C ATOM 22 C ASP A 2 -3.862 18.276 0.494 1.00 65.03 C ATOM 23 O ASP A 2 -2.733 18.784 0.546 1.00 11.23 O ATOM 24 CB ASP A 2 -4.780 19.283 -1.686 1.00 74.11 C ATOM 25 CG ASP A 2 -3.683 20.336 -1.949 1.00 43.13 C ATOM 26 OD1 ASP A 2 -3.930 21.539 -1.695 1.00 73.14 O ATOM 27 OD2 ASP A 2 -2.571 19.974 -2.394 1.00 61.44 O ATOM 0 HA ASP A 2 -5.923 18.371 -0.094 1.00 13.12 H new ATOM 0 HB2 ASP A 2 -4.493 18.346 -2.163 1.00 74.11 H new ATOM 0 HB3 ASP A 2 -5.706 19.611 -2.159 1.00 74.11 H new ATOM 32 N GLU A 3 -4.141 17.082 1.043 1.00 14.33 N ATOM 33 CA GLU A 3 -3.139 16.232 1.728 1.00 63.41 C ATOM 34 C GLU A 3 -2.486 15.229 0.742 1.00 12.02 C ATOM 35 O GLU A 3 -3.007 14.991 -0.353 1.00 25.20 O ATOM 36 CB GLU A 3 -3.809 15.462 2.907 1.00 52.14 C ATOM 37 CG GLU A 3 -4.700 16.323 3.837 1.00 14.55 C ATOM 38 CD GLU A 3 -3.996 17.591 4.363 1.00 63.34 C ATOM 39 OE1 GLU A 3 -3.085 17.473 5.212 1.00 20.33 O ATOM 40 OE2 GLU A 3 -4.337 18.714 3.914 1.00 50.11 O ATOM 0 H GLU A 3 -5.075 16.672 1.026 1.00 14.33 H new ATOM 0 HA GLU A 3 -2.355 16.881 2.119 1.00 63.41 H new ATOM 0 HB2 GLU A 3 -4.415 14.655 2.495 1.00 52.14 H new ATOM 0 HB3 GLU A 3 -3.027 14.998 3.508 1.00 52.14 H new ATOM 0 HG2 GLU A 3 -5.600 16.615 3.296 1.00 14.55 H new ATOM 0 HG3 GLU A 3 -5.020 15.716 4.684 1.00 14.55 H new ATOM 47 N ASP A 4 -1.343 14.644 1.143 1.00 64.11 N ATOM 48 CA ASP A 4 -0.625 13.618 0.346 1.00 42.20 C ATOM 49 C ASP A 4 -0.464 12.295 1.145 1.00 4.31 C ATOM 50 O ASP A 4 -0.220 12.304 2.359 1.00 14.22 O ATOM 51 CB ASP A 4 0.747 14.170 -0.131 1.00 45.22 C ATOM 52 CG ASP A 4 1.618 14.709 1.019 1.00 74.25 C ATOM 53 OD1 ASP A 4 1.446 15.887 1.409 1.00 11.52 O ATOM 54 OD2 ASP A 4 2.472 13.963 1.542 1.00 71.31 O ATOM 0 H ASP A 4 -0.886 14.865 2.028 1.00 64.11 H new ATOM 0 HA ASP A 4 -1.221 13.387 -0.537 1.00 42.20 H new ATOM 0 HB2 ASP A 4 1.289 13.379 -0.649 1.00 45.22 H new ATOM 0 HB3 ASP A 4 0.579 14.967 -0.855 1.00 45.22 H new ATOM 59 N ALA A 5 -0.598 11.161 0.435 1.00 21.00 N ATOM 60 CA ALA A 5 -0.543 9.800 1.015 1.00 22.11 C ATOM 61 C ALA A 5 0.442 8.913 0.233 1.00 25.10 C ATOM 62 O ALA A 5 0.457 8.935 -0.998 1.00 73.13 O ATOM 63 CB ALA A 5 -1.940 9.176 0.987 1.00 63.23 C ATOM 0 H ALA A 5 -0.750 11.160 -0.574 1.00 21.00 H new ATOM 0 HA ALA A 5 -0.195 9.873 2.045 1.00 22.11 H new ATOM 0 HB1 ALA A 5 -1.900 8.174 1.414 1.00 63.23 H new ATOM 0 HB2 ALA A 5 -2.625 9.791 1.570 1.00 63.23 H new ATOM 0 HB3 ALA A 5 -2.292 9.118 -0.043 1.00 63.23 H new ATOM 69 N THR A 6 1.243 8.113 0.954 1.00 11.41 N ATOM 70 CA THR A 6 2.321 7.281 0.358 1.00 21.30 C ATOM 71 C THR A 6 2.039 5.776 0.529 1.00 65.40 C ATOM 72 O THR A 6 1.750 5.306 1.636 1.00 14.42 O ATOM 73 CB THR A 6 3.712 7.610 1.004 1.00 32.23 C ATOM 74 OG1 THR A 6 3.691 7.327 2.421 1.00 55.05 O ATOM 75 CG2 THR A 6 4.098 9.083 0.793 1.00 12.42 C ATOM 0 H THR A 6 1.168 8.019 1.967 1.00 11.41 H new ATOM 0 HA THR A 6 2.346 7.520 -0.705 1.00 21.30 H new ATOM 0 HB THR A 6 4.453 6.980 0.512 1.00 32.23 H new ATOM 0 HG1 THR A 6 2.963 7.828 2.844 1.00 55.05 H new ATOM 0 HG21 THR A 6 5.067 9.275 1.254 1.00 12.42 H new ATOM 0 HG22 THR A 6 4.155 9.295 -0.275 1.00 12.42 H new ATOM 0 HG23 THR A 6 3.345 9.725 1.250 1.00 12.42 H new ATOM 83 N ILE A 7 2.120 5.013 -0.581 1.00 1.04 N ATOM 84 CA ILE A 7 2.035 3.540 -0.545 1.00 60.31 C ATOM 85 C ILE A 7 3.463 2.968 -0.474 1.00 72.30 C ATOM 86 O ILE A 7 4.248 3.100 -1.424 1.00 74.51 O ATOM 87 CB ILE A 7 1.271 2.936 -1.782 1.00 20.31 C ATOM 88 CG1 ILE A 7 -0.073 3.696 -2.043 1.00 41.44 C ATOM 89 CG2 ILE A 7 1.019 1.415 -1.587 1.00 63.23 C ATOM 90 CD1 ILE A 7 -1.040 3.710 -0.872 1.00 12.33 C ATOM 0 H ILE A 7 2.245 5.397 -1.518 1.00 1.04 H new ATOM 0 HA ILE A 7 1.458 3.260 0.337 1.00 60.31 H new ATOM 0 HB ILE A 7 1.903 3.066 -2.661 1.00 20.31 H new ATOM 0 HG12 ILE A 7 0.157 4.726 -2.318 1.00 41.44 H new ATOM 0 HG13 ILE A 7 -0.570 3.241 -2.900 1.00 41.44 H new ATOM 0 HG21 ILE A 7 0.490 1.020 -2.454 1.00 63.23 H new ATOM 0 HG22 ILE A 7 1.973 0.899 -1.478 1.00 63.23 H new ATOM 0 HG23 ILE A 7 0.417 1.258 -0.692 1.00 63.23 H new ATOM 0 HD11 ILE A 7 -1.940 4.259 -1.150 1.00 12.33 H new ATOM 0 HD12 ILE A 7 -1.306 2.687 -0.608 1.00 12.33 H new ATOM 0 HD13 ILE A 7 -0.569 4.194 -0.017 1.00 12.33 H new ATOM 102 N THR A 8 3.787 2.344 0.662 1.00 45.50 N ATOM 103 CA THR A 8 5.145 1.880 0.994 1.00 14.51 C ATOM 104 C THR A 8 5.202 0.339 0.975 1.00 54.20 C ATOM 105 O THR A 8 4.720 -0.319 1.904 1.00 52.42 O ATOM 106 CB THR A 8 5.559 2.421 2.413 1.00 1.24 C ATOM 107 OG1 THR A 8 5.439 3.856 2.433 1.00 13.23 O ATOM 108 CG2 THR A 8 6.994 2.022 2.816 1.00 44.12 C ATOM 0 H THR A 8 3.104 2.142 1.392 1.00 45.50 H new ATOM 0 HA THR A 8 5.843 2.262 0.249 1.00 14.51 H new ATOM 0 HB THR A 8 4.884 1.965 3.137 1.00 1.24 H new ATOM 0 HG1 THR A 8 5.695 4.193 3.317 1.00 13.23 H new ATOM 0 HG21 THR A 8 7.220 2.425 3.803 1.00 44.12 H new ATOM 0 HG22 THR A 8 7.076 0.935 2.840 1.00 44.12 H new ATOM 0 HG23 THR A 8 7.701 2.424 2.090 1.00 44.12 H new ATOM 116 N TYR A 9 5.752 -0.236 -0.104 1.00 2.11 N ATOM 117 CA TYR A 9 6.017 -1.688 -0.176 1.00 10.41 C ATOM 118 C TYR A 9 7.280 -2.021 0.640 1.00 61.12 C ATOM 119 O TYR A 9 8.358 -1.491 0.364 1.00 61.02 O ATOM 120 CB TYR A 9 6.174 -2.151 -1.652 1.00 41.34 C ATOM 121 CG TYR A 9 4.867 -2.095 -2.457 1.00 24.13 C ATOM 122 CD1 TYR A 9 4.358 -0.883 -2.941 1.00 73.03 C ATOM 123 CD2 TYR A 9 4.118 -3.255 -2.703 1.00 14.33 C ATOM 124 CE1 TYR A 9 3.170 -0.836 -3.637 1.00 3.35 C ATOM 125 CE2 TYR A 9 2.926 -3.203 -3.395 1.00 13.44 C ATOM 126 CZ TYR A 9 2.459 -1.993 -3.856 1.00 11.11 C ATOM 127 OH TYR A 9 1.270 -1.937 -4.527 1.00 24.32 O ATOM 0 H TYR A 9 6.024 0.279 -0.942 1.00 2.11 H new ATOM 0 HA TYR A 9 5.168 -2.224 0.248 1.00 10.41 H new ATOM 0 HB2 TYR A 9 6.920 -1.526 -2.143 1.00 41.34 H new ATOM 0 HB3 TYR A 9 6.555 -3.172 -1.665 1.00 41.34 H new ATOM 0 HD1 TYR A 9 4.907 0.031 -2.765 1.00 73.03 H new ATOM 0 HD2 TYR A 9 4.481 -4.207 -2.344 1.00 14.33 H new ATOM 0 HE1 TYR A 9 2.798 0.107 -4.010 1.00 3.35 H new ATOM 0 HE2 TYR A 9 2.362 -4.107 -3.574 1.00 13.44 H new ATOM 0 HH TYR A 9 1.204 -1.084 -5.005 1.00 24.32 H new ATOM 137 N VAL A 10 7.132 -2.881 1.656 1.00 35.22 N ATOM 138 CA VAL A 10 8.243 -3.292 2.534 1.00 43.04 C ATOM 139 C VAL A 10 8.468 -4.807 2.455 1.00 55.05 C ATOM 140 O VAL A 10 7.518 -5.592 2.319 1.00 11.02 O ATOM 141 CB VAL A 10 8.024 -2.866 4.038 1.00 34.31 C ATOM 142 CG1 VAL A 10 7.995 -1.330 4.189 1.00 64.24 C ATOM 143 CG2 VAL A 10 6.758 -3.520 4.644 1.00 21.30 C ATOM 0 H VAL A 10 6.240 -3.313 1.895 1.00 35.22 H new ATOM 0 HA VAL A 10 9.128 -2.770 2.171 1.00 43.04 H new ATOM 0 HB VAL A 10 8.878 -3.237 4.605 1.00 34.31 H new ATOM 0 HG11 VAL A 10 7.843 -1.070 5.237 1.00 64.24 H new ATOM 0 HG12 VAL A 10 8.942 -0.913 3.846 1.00 64.24 H new ATOM 0 HG13 VAL A 10 7.180 -0.921 3.592 1.00 64.24 H new ATOM 0 HG21 VAL A 10 6.644 -3.201 5.680 1.00 21.30 H new ATOM 0 HG22 VAL A 10 5.882 -3.215 4.072 1.00 21.30 H new ATOM 0 HG23 VAL A 10 6.856 -4.605 4.607 1.00 21.30 H new ATOM 153 N ASP A 11 9.739 -5.207 2.538 1.00 42.41 N ATOM 154 CA ASP A 11 10.136 -6.607 2.597 1.00 52.35 C ATOM 155 C ASP A 11 9.931 -7.118 4.043 1.00 34.52 C ATOM 156 O ASP A 11 10.807 -6.971 4.894 1.00 41.03 O ATOM 157 CB ASP A 11 11.616 -6.739 2.132 1.00 54.33 C ATOM 158 CG ASP A 11 11.963 -8.130 1.597 1.00 72.00 C ATOM 159 OD1 ASP A 11 12.084 -9.077 2.395 1.00 13.50 O ATOM 160 OD2 ASP A 11 12.129 -8.275 0.369 1.00 14.24 O ATOM 0 H ASP A 11 10.526 -4.558 2.566 1.00 42.41 H new ATOM 0 HA ASP A 11 9.526 -7.218 1.931 1.00 52.35 H new ATOM 0 HB2 ASP A 11 11.812 -6.000 1.355 1.00 54.33 H new ATOM 0 HB3 ASP A 11 12.274 -6.505 2.969 1.00 54.33 H new ATOM 165 N ASP A 12 8.726 -7.643 4.306 1.00 32.11 N ATOM 166 CA ASP A 12 8.318 -8.228 5.609 1.00 10.12 C ATOM 167 C ASP A 12 9.247 -9.399 6.030 1.00 63.23 C ATOM 168 O ASP A 12 9.481 -9.621 7.223 1.00 71.23 O ATOM 169 CB ASP A 12 6.848 -8.706 5.488 1.00 35.04 C ATOM 170 CG ASP A 12 6.240 -9.235 6.796 1.00 60.23 C ATOM 171 OD1 ASP A 12 5.836 -8.407 7.642 1.00 12.44 O ATOM 172 OD2 ASP A 12 6.157 -10.469 6.982 1.00 70.11 O ATOM 0 H ASP A 12 7.984 -7.678 3.607 1.00 32.11 H new ATOM 0 HA ASP A 12 8.403 -7.469 6.386 1.00 10.12 H new ATOM 0 HB2 ASP A 12 6.238 -7.877 5.128 1.00 35.04 H new ATOM 0 HB3 ASP A 12 6.796 -9.491 4.734 1.00 35.04 H new ATOM 177 N ASP A 13 9.777 -10.120 5.024 1.00 41.54 N ATOM 178 CA ASP A 13 10.770 -11.210 5.218 1.00 71.11 C ATOM 179 C ASP A 13 12.110 -10.660 5.800 1.00 72.14 C ATOM 180 O ASP A 13 12.881 -11.396 6.426 1.00 13.21 O ATOM 181 CB ASP A 13 11.011 -11.902 3.849 1.00 23.13 C ATOM 182 CG ASP A 13 11.789 -13.229 3.915 1.00 55.32 C ATOM 183 OD1 ASP A 13 13.042 -13.208 3.932 1.00 65.51 O ATOM 184 OD2 ASP A 13 11.152 -14.304 3.904 1.00 72.42 O ATOM 0 H ASP A 13 9.531 -9.967 4.046 1.00 41.54 H new ATOM 0 HA ASP A 13 10.381 -11.930 5.938 1.00 71.11 H new ATOM 0 HB2 ASP A 13 10.045 -12.088 3.379 1.00 23.13 H new ATOM 0 HB3 ASP A 13 11.553 -11.213 3.202 1.00 23.13 H new ATOM 189 N LYS A 14 12.350 -9.352 5.600 1.00 74.21 N ATOM 190 CA LYS A 14 13.576 -8.655 6.041 1.00 60.50 C ATOM 191 C LYS A 14 13.247 -7.605 7.146 1.00 13.04 C ATOM 192 O LYS A 14 14.011 -6.656 7.373 1.00 13.54 O ATOM 193 CB LYS A 14 14.245 -7.992 4.789 1.00 70.22 C ATOM 194 CG LYS A 14 15.774 -7.768 4.888 1.00 44.14 C ATOM 195 CD LYS A 14 16.554 -9.085 5.139 1.00 0.11 C ATOM 196 CE LYS A 14 16.307 -10.158 4.055 1.00 65.24 C ATOM 197 NZ LYS A 14 17.046 -11.416 4.346 1.00 31.13 N ATOM 0 H LYS A 14 11.690 -8.739 5.121 1.00 74.21 H new ATOM 0 HA LYS A 14 14.274 -9.366 6.483 1.00 60.50 H new ATOM 0 HB2 LYS A 14 14.043 -8.616 3.918 1.00 70.22 H new ATOM 0 HB3 LYS A 14 13.766 -7.030 4.610 1.00 70.22 H new ATOM 0 HG2 LYS A 14 16.131 -7.309 3.966 1.00 44.14 H new ATOM 0 HG3 LYS A 14 15.983 -7.066 5.695 1.00 44.14 H new ATOM 0 HD2 LYS A 14 17.620 -8.864 5.185 1.00 0.11 H new ATOM 0 HD3 LYS A 14 16.269 -9.488 6.111 1.00 0.11 H new ATOM 0 HE2 LYS A 14 15.240 -10.370 3.990 1.00 65.24 H new ATOM 0 HE3 LYS A 14 16.615 -9.771 3.084 1.00 65.24 H new ATOM 0 HZ1 LYS A 14 16.855 -12.112 3.597 1.00 31.13 H new ATOM 0 HZ2 LYS A 14 18.066 -11.218 4.384 1.00 31.13 H new ATOM 0 HZ3 LYS A 14 16.734 -11.798 5.261 1.00 31.13 H new ATOM 211 N GLY A 15 12.109 -7.813 7.847 1.00 65.21 N ATOM 212 CA GLY A 15 11.658 -6.925 8.945 1.00 24.24 C ATOM 213 C GLY A 15 11.303 -5.489 8.522 1.00 32.41 C ATOM 214 O GLY A 15 11.375 -4.562 9.337 1.00 72.44 O ATOM 0 H GLY A 15 11.480 -8.596 7.670 1.00 65.21 H new ATOM 0 HA2 GLY A 15 10.785 -7.374 9.418 1.00 24.24 H new ATOM 0 HA3 GLY A 15 12.442 -6.881 9.701 1.00 24.24 H new ATOM 218 N GLY A 16 10.909 -5.316 7.251 1.00 51.40 N ATOM 219 CA GLY A 16 10.536 -4.002 6.704 1.00 2.31 C ATOM 220 C GLY A 16 11.695 -3.288 5.990 1.00 52.43 C ATOM 221 O GLY A 16 12.570 -2.709 6.643 1.00 13.43 O ATOM 0 H GLY A 16 10.840 -6.078 6.577 1.00 51.40 H new ATOM 0 HA2 GLY A 16 9.710 -4.129 6.004 1.00 2.31 H new ATOM 0 HA3 GLY A 16 10.173 -3.369 7.514 1.00 2.31 H new ATOM 225 N ALA A 17 11.696 -3.336 4.643 1.00 54.12 N ATOM 226 CA ALA A 17 12.715 -2.664 3.792 1.00 0.23 C ATOM 227 C ALA A 17 12.065 -2.182 2.474 1.00 74.04 C ATOM 228 O ALA A 17 11.350 -2.946 1.840 1.00 70.13 O ATOM 229 CB ALA A 17 13.889 -3.620 3.509 1.00 40.01 C ATOM 0 H ALA A 17 10.991 -3.842 4.107 1.00 54.12 H new ATOM 0 HA ALA A 17 13.106 -1.796 4.322 1.00 0.23 H new ATOM 0 HB1 ALA A 17 14.627 -3.115 2.885 1.00 40.01 H new ATOM 0 HB2 ALA A 17 14.351 -3.917 4.450 1.00 40.01 H new ATOM 0 HB3 ALA A 17 13.521 -4.505 2.991 1.00 40.01 H new ATOM 235 N GLN A 18 12.322 -0.923 2.064 1.00 3.33 N ATOM 236 CA GLN A 18 11.650 -0.307 0.891 1.00 74.41 C ATOM 237 C GLN A 18 11.981 -1.051 -0.444 1.00 55.33 C ATOM 238 O GLN A 18 13.135 -1.113 -0.881 1.00 53.41 O ATOM 239 CB GLN A 18 12.005 1.203 0.797 1.00 40.32 C ATOM 240 CG GLN A 18 11.293 1.991 -0.338 1.00 44.14 C ATOM 241 CD GLN A 18 9.759 1.900 -0.292 1.00 43.03 C ATOM 242 OE1 GLN A 18 9.098 2.668 0.396 1.00 33.30 O ATOM 243 NE2 GLN A 18 9.180 1.006 -1.075 1.00 11.42 N ATOM 0 H GLN A 18 12.991 -0.308 2.527 1.00 3.33 H new ATOM 0 HA GLN A 18 10.575 -0.405 1.041 1.00 74.41 H new ATOM 0 HB2 GLN A 18 11.763 1.675 1.749 1.00 40.32 H new ATOM 0 HB3 GLN A 18 13.082 1.297 0.659 1.00 40.32 H new ATOM 0 HG2 GLN A 18 11.587 3.039 -0.279 1.00 44.14 H new ATOM 0 HG3 GLN A 18 11.641 1.616 -1.301 1.00 44.14 H new ATOM 0 HE21 GLN A 18 9.751 0.377 -1.639 1.00 11.42 H new ATOM 0 HE22 GLN A 18 8.163 0.946 -1.115 1.00 11.42 H new ATOM 252 N VAL A 19 10.925 -1.612 -1.064 1.00 74.12 N ATOM 253 CA VAL A 19 10.994 -2.412 -2.315 1.00 31.12 C ATOM 254 C VAL A 19 10.051 -1.794 -3.380 1.00 3.42 C ATOM 255 O VAL A 19 8.989 -1.263 -3.039 1.00 23.33 O ATOM 256 CB VAL A 19 10.584 -3.927 -2.052 1.00 0.35 C ATOM 257 CG1 VAL A 19 10.592 -4.783 -3.345 1.00 45.21 C ATOM 258 CG2 VAL A 19 11.485 -4.576 -0.975 1.00 72.03 C ATOM 0 H VAL A 19 9.974 -1.523 -0.705 1.00 74.12 H new ATOM 0 HA VAL A 19 12.022 -2.395 -2.676 1.00 31.12 H new ATOM 0 HB VAL A 19 9.558 -3.903 -1.684 1.00 0.35 H new ATOM 0 HG11 VAL A 19 10.305 -5.807 -3.105 1.00 45.21 H new ATOM 0 HG12 VAL A 19 9.885 -4.366 -4.062 1.00 45.21 H new ATOM 0 HG13 VAL A 19 11.592 -4.779 -3.778 1.00 45.21 H new ATOM 0 HG21 VAL A 19 11.178 -5.610 -0.819 1.00 72.03 H new ATOM 0 HG22 VAL A 19 12.523 -4.551 -1.306 1.00 72.03 H new ATOM 0 HG23 VAL A 19 11.389 -4.024 -0.040 1.00 72.03 H new ATOM 268 N GLY A 20 10.462 -1.854 -4.662 1.00 4.25 N ATOM 269 CA GLY A 20 9.610 -1.428 -5.781 1.00 60.34 C ATOM 270 C GLY A 20 9.386 0.087 -5.868 1.00 22.04 C ATOM 271 O GLY A 20 10.326 0.841 -6.139 1.00 22.55 O ATOM 0 H GLY A 20 11.381 -2.195 -4.945 1.00 4.25 H new ATOM 0 HA2 GLY A 20 10.058 -1.771 -6.714 1.00 60.34 H new ATOM 0 HA3 GLY A 20 8.642 -1.921 -5.693 1.00 60.34 H new ATOM 275 N ASP A 21 8.127 0.531 -5.645 1.00 63.32 N ATOM 276 CA ASP A 21 7.729 1.956 -5.783 1.00 4.32 C ATOM 277 C ASP A 21 7.136 2.552 -4.482 1.00 73.15 C ATOM 278 O ASP A 21 6.485 1.857 -3.690 1.00 70.21 O ATOM 279 CB ASP A 21 6.695 2.115 -6.931 1.00 32.43 C ATOM 280 CG ASP A 21 7.242 1.661 -8.293 1.00 10.54 C ATOM 281 OD1 ASP A 21 8.095 2.378 -8.864 1.00 3.42 O ATOM 282 OD2 ASP A 21 6.826 0.594 -8.798 1.00 52.23 O ATOM 0 H ASP A 21 7.361 -0.082 -5.366 1.00 63.32 H new ATOM 0 HA ASP A 21 8.642 2.508 -6.009 1.00 4.32 H new ATOM 0 HB2 ASP A 21 5.802 1.537 -6.692 1.00 32.43 H new ATOM 0 HB3 ASP A 21 6.390 3.159 -6.997 1.00 32.43 H new ATOM 287 N ILE A 22 7.406 3.855 -4.274 1.00 21.31 N ATOM 288 CA ILE A 22 6.666 4.712 -3.322 1.00 33.50 C ATOM 289 C ILE A 22 5.586 5.489 -4.112 1.00 73.31 C ATOM 290 O ILE A 22 5.922 6.349 -4.934 1.00 12.35 O ATOM 291 CB ILE A 22 7.617 5.743 -2.597 1.00 2.21 C ATOM 292 CG1 ILE A 22 8.848 5.013 -1.976 1.00 20.41 C ATOM 293 CG2 ILE A 22 6.843 6.554 -1.520 1.00 53.54 C ATOM 294 CD1 ILE A 22 9.884 5.919 -1.328 1.00 32.03 C ATOM 0 H ILE A 22 8.151 4.349 -4.766 1.00 21.31 H new ATOM 0 HA ILE A 22 6.220 4.077 -2.556 1.00 33.50 H new ATOM 0 HB ILE A 22 7.984 6.449 -3.342 1.00 2.21 H new ATOM 0 HG12 ILE A 22 8.490 4.305 -1.228 1.00 20.41 H new ATOM 0 HG13 ILE A 22 9.337 4.431 -2.758 1.00 20.41 H new ATOM 0 HG21 ILE A 22 7.522 7.257 -1.036 1.00 53.54 H new ATOM 0 HG22 ILE A 22 6.029 7.103 -1.993 1.00 53.54 H new ATOM 0 HG23 ILE A 22 6.435 5.872 -0.774 1.00 53.54 H new ATOM 0 HD11 ILE A 22 10.697 5.314 -0.928 1.00 32.03 H new ATOM 0 HD12 ILE A 22 10.279 6.611 -2.072 1.00 32.03 H new ATOM 0 HD13 ILE A 22 9.419 6.483 -0.519 1.00 32.03 H new ATOM 306 N VAL A 23 4.299 5.180 -3.885 1.00 4.23 N ATOM 307 CA VAL A 23 3.193 5.770 -4.677 1.00 53.44 C ATOM 308 C VAL A 23 2.521 6.924 -3.896 1.00 41.33 C ATOM 309 O VAL A 23 1.735 6.689 -2.974 1.00 74.43 O ATOM 310 CB VAL A 23 2.137 4.672 -5.068 1.00 30.22 C ATOM 311 CG1 VAL A 23 1.006 5.248 -5.952 1.00 73.14 C ATOM 312 CG2 VAL A 23 2.822 3.461 -5.747 1.00 20.44 C ATOM 0 H VAL A 23 3.993 4.528 -3.163 1.00 4.23 H new ATOM 0 HA VAL A 23 3.612 6.178 -5.597 1.00 53.44 H new ATOM 0 HB VAL A 23 1.673 4.323 -4.145 1.00 30.22 H new ATOM 0 HG11 VAL A 23 0.299 4.457 -6.199 1.00 73.14 H new ATOM 0 HG12 VAL A 23 0.489 6.041 -5.411 1.00 73.14 H new ATOM 0 HG13 VAL A 23 1.432 5.653 -6.870 1.00 73.14 H new ATOM 0 HG21 VAL A 23 2.070 2.716 -6.007 1.00 20.44 H new ATOM 0 HG22 VAL A 23 3.333 3.792 -6.651 1.00 20.44 H new ATOM 0 HG23 VAL A 23 3.546 3.021 -5.061 1.00 20.44 H new ATOM 322 N THR A 24 2.853 8.172 -4.271 1.00 21.11 N ATOM 323 CA THR A 24 2.325 9.386 -3.602 1.00 23.14 C ATOM 324 C THR A 24 1.112 9.948 -4.372 1.00 14.33 C ATOM 325 O THR A 24 1.252 10.435 -5.503 1.00 11.34 O ATOM 326 CB THR A 24 3.408 10.510 -3.489 1.00 50.33 C ATOM 327 OG1 THR A 24 4.616 9.979 -2.920 1.00 53.25 O ATOM 328 CG2 THR A 24 2.926 11.700 -2.629 1.00 72.54 C ATOM 0 H THR A 24 3.491 8.373 -5.041 1.00 21.11 H new ATOM 0 HA THR A 24 2.026 9.084 -2.598 1.00 23.14 H new ATOM 0 HB THR A 24 3.595 10.875 -4.499 1.00 50.33 H new ATOM 0 HG1 THR A 24 5.287 10.690 -2.855 1.00 53.25 H new ATOM 0 HG21 THR A 24 3.711 12.455 -2.579 1.00 72.54 H new ATOM 0 HG22 THR A 24 2.033 12.135 -3.077 1.00 72.54 H new ATOM 0 HG23 THR A 24 2.694 11.351 -1.623 1.00 72.54 H new ATOM 336 N VAL A 25 -0.074 9.871 -3.760 1.00 3.14 N ATOM 337 CA VAL A 25 -1.320 10.440 -4.322 1.00 23.13 C ATOM 338 C VAL A 25 -1.747 11.694 -3.513 1.00 41.42 C ATOM 339 O VAL A 25 -1.416 11.813 -2.331 1.00 3.43 O ATOM 340 CB VAL A 25 -2.478 9.364 -4.330 1.00 11.14 C ATOM 341 CG1 VAL A 25 -2.111 8.149 -5.219 1.00 3.11 C ATOM 342 CG2 VAL A 25 -2.828 8.905 -2.895 1.00 33.13 C ATOM 0 H VAL A 25 -0.206 9.413 -2.858 1.00 3.14 H new ATOM 0 HA VAL A 25 -1.129 10.736 -5.353 1.00 23.13 H new ATOM 0 HB VAL A 25 -3.361 9.840 -4.757 1.00 11.14 H new ATOM 0 HG11 VAL A 25 -2.927 7.427 -5.204 1.00 3.11 H new ATOM 0 HG12 VAL A 25 -1.943 8.485 -6.242 1.00 3.11 H new ATOM 0 HG13 VAL A 25 -1.204 7.680 -4.837 1.00 3.11 H new ATOM 0 HG21 VAL A 25 -3.628 8.165 -2.934 1.00 33.13 H new ATOM 0 HG22 VAL A 25 -1.947 8.463 -2.429 1.00 33.13 H new ATOM 0 HG23 VAL A 25 -3.156 9.763 -2.308 1.00 33.13 H new ATOM 352 N THR A 26 -2.470 12.636 -4.155 1.00 41.43 N ATOM 353 CA THR A 26 -2.930 13.895 -3.493 1.00 14.21 C ATOM 354 C THR A 26 -4.463 14.063 -3.578 1.00 63.13 C ATOM 355 O THR A 26 -5.087 13.647 -4.557 1.00 3.05 O ATOM 356 CB THR A 26 -2.247 15.171 -4.098 1.00 73.24 C ATOM 357 OG1 THR A 26 -2.563 15.292 -5.499 1.00 42.12 O ATOM 358 CG2 THR A 26 -0.719 15.150 -3.907 1.00 22.51 C ATOM 0 H THR A 26 -2.753 12.557 -5.132 1.00 41.43 H new ATOM 0 HA THR A 26 -2.635 13.800 -2.448 1.00 14.21 H new ATOM 0 HB THR A 26 -2.639 16.035 -3.561 1.00 73.24 H new ATOM 0 HG1 THR A 26 -2.132 16.093 -5.864 1.00 42.12 H new ATOM 0 HG21 THR A 26 -0.286 16.051 -4.340 1.00 22.51 H new ATOM 0 HG22 THR A 26 -0.486 15.111 -2.843 1.00 22.51 H new ATOM 0 HG23 THR A 26 -0.302 14.273 -4.402 1.00 22.51 H new ATOM 366 N GLY A 27 -5.049 14.683 -2.537 1.00 20.45 N ATOM 367 CA GLY A 27 -6.497 14.949 -2.470 1.00 32.13 C ATOM 368 C GLY A 27 -6.927 15.491 -1.100 1.00 0.22 C ATOM 369 O GLY A 27 -6.138 15.479 -0.152 1.00 5.21 O ATOM 0 H GLY A 27 -4.533 15.013 -1.721 1.00 20.45 H new ATOM 0 HA2 GLY A 27 -6.768 15.667 -3.244 1.00 32.13 H new ATOM 0 HA3 GLY A 27 -7.043 14.030 -2.682 1.00 32.13 H new ATOM 373 N LYS A 28 -8.188 15.939 -0.978 1.00 32.25 N ATOM 374 CA LYS A 28 -8.717 16.544 0.266 1.00 63.13 C ATOM 375 C LYS A 28 -9.386 15.453 1.134 1.00 62.53 C ATOM 376 O LYS A 28 -9.709 14.370 0.637 1.00 2.44 O ATOM 377 CB LYS A 28 -9.722 17.675 -0.099 1.00 24.20 C ATOM 378 CG LYS A 28 -10.157 18.587 1.074 1.00 10.45 C ATOM 379 CD LYS A 28 -11.113 19.715 0.613 1.00 24.32 C ATOM 380 CE LYS A 28 -11.444 20.738 1.720 1.00 32.01 C ATOM 381 NZ LYS A 28 -12.090 20.136 2.914 1.00 23.35 N ATOM 0 H LYS A 28 -8.871 15.894 -1.734 1.00 32.25 H new ATOM 0 HA LYS A 28 -7.903 16.981 0.845 1.00 63.13 H new ATOM 0 HB2 LYS A 28 -9.275 18.298 -0.874 1.00 24.20 H new ATOM 0 HB3 LYS A 28 -10.613 17.219 -0.531 1.00 24.20 H new ATOM 0 HG2 LYS A 28 -10.650 17.985 1.837 1.00 10.45 H new ATOM 0 HG3 LYS A 28 -9.274 19.028 1.537 1.00 10.45 H new ATOM 0 HD2 LYS A 28 -10.663 20.238 -0.231 1.00 24.32 H new ATOM 0 HD3 LYS A 28 -12.040 19.269 0.253 1.00 24.32 H new ATOM 0 HE2 LYS A 28 -10.525 21.237 2.028 1.00 32.01 H new ATOM 0 HE3 LYS A 28 -12.101 21.505 1.310 1.00 32.01 H new ATOM 0 HZ1 LYS A 28 -12.666 20.855 3.397 1.00 23.35 H new ATOM 0 HZ2 LYS A 28 -12.699 19.346 2.618 1.00 23.35 H new ATOM 0 HZ3 LYS A 28 -11.358 19.785 3.564 1.00 23.35 H new ATOM 395 N THR A 29 -9.557 15.738 2.437 1.00 74.25 N ATOM 396 CA THR A 29 -10.168 14.789 3.405 1.00 43.40 C ATOM 397 C THR A 29 -11.580 14.262 3.006 1.00 2.11 C ATOM 398 O THR A 29 -11.966 13.150 3.393 1.00 44.00 O ATOM 399 CB THR A 29 -10.219 15.399 4.852 1.00 40.22 C ATOM 400 OG1 THR A 29 -10.706 14.424 5.795 1.00 31.02 O ATOM 401 CG2 THR A 29 -11.097 16.664 4.926 1.00 4.30 C ATOM 0 H THR A 29 -9.279 16.626 2.854 1.00 74.25 H new ATOM 0 HA THR A 29 -9.505 13.924 3.387 1.00 43.40 H new ATOM 0 HB THR A 29 -9.198 15.684 5.107 1.00 40.22 H new ATOM 0 HG1 THR A 29 -10.210 13.586 5.684 1.00 31.02 H new ATOM 0 HG21 THR A 29 -11.099 17.046 5.947 1.00 4.30 H new ATOM 0 HG22 THR A 29 -10.697 17.424 4.255 1.00 4.30 H new ATOM 0 HG23 THR A 29 -12.116 16.417 4.629 1.00 4.30 H new ATOM 409 N ASP A 30 -12.334 15.068 2.240 1.00 52.21 N ATOM 410 CA ASP A 30 -13.681 14.701 1.736 1.00 14.00 C ATOM 411 C ASP A 30 -13.597 13.657 0.601 1.00 15.42 C ATOM 412 O ASP A 30 -14.536 12.880 0.381 1.00 51.20 O ATOM 413 CB ASP A 30 -14.400 15.973 1.214 1.00 1.45 C ATOM 414 CG ASP A 30 -14.447 17.095 2.259 1.00 21.40 C ATOM 415 OD1 ASP A 30 -13.417 17.766 2.451 1.00 12.11 O ATOM 416 OD2 ASP A 30 -15.499 17.303 2.899 1.00 43.30 O ATOM 0 H ASP A 30 -12.031 15.997 1.948 1.00 52.21 H new ATOM 0 HA ASP A 30 -14.242 14.261 2.560 1.00 14.00 H new ATOM 0 HB2 ASP A 30 -13.889 16.334 0.321 1.00 1.45 H new ATOM 0 HB3 ASP A 30 -15.417 15.715 0.917 1.00 1.45 H new ATOM 421 N ASP A 31 -12.476 13.679 -0.131 1.00 30.24 N ATOM 422 CA ASP A 31 -12.237 12.799 -1.286 1.00 3.14 C ATOM 423 C ASP A 31 -11.552 11.483 -0.860 1.00 40.32 C ATOM 424 O ASP A 31 -10.569 11.489 -0.103 1.00 51.44 O ATOM 425 CB ASP A 31 -11.371 13.539 -2.330 1.00 2.34 C ATOM 426 CG ASP A 31 -12.014 14.859 -2.786 1.00 13.52 C ATOM 427 OD1 ASP A 31 -12.943 14.818 -3.624 1.00 21.34 O ATOM 428 OD2 ASP A 31 -11.608 15.936 -2.301 1.00 4.42 O ATOM 0 H ASP A 31 -11.701 14.313 0.062 1.00 30.24 H new ATOM 0 HA ASP A 31 -13.200 12.542 -1.727 1.00 3.14 H new ATOM 0 HB2 ASP A 31 -10.388 13.743 -1.905 1.00 2.34 H new ATOM 0 HB3 ASP A 31 -11.217 12.894 -3.195 1.00 2.34 H new ATOM 433 N SER A 32 -12.094 10.358 -1.348 1.00 30.13 N ATOM 434 CA SER A 32 -11.487 9.021 -1.191 1.00 34.21 C ATOM 435 C SER A 32 -11.179 8.427 -2.580 1.00 50.22 C ATOM 436 O SER A 32 -11.977 8.550 -3.516 1.00 3.31 O ATOM 437 CB SER A 32 -12.425 8.071 -0.405 1.00 3.22 C ATOM 438 OG SER A 32 -13.653 7.844 -1.088 1.00 73.41 O ATOM 0 H SER A 32 -12.972 10.346 -1.867 1.00 30.13 H new ATOM 0 HA SER A 32 -10.562 9.126 -0.625 1.00 34.21 H new ATOM 0 HB2 SER A 32 -11.921 7.119 -0.241 1.00 3.22 H new ATOM 0 HB3 SER A 32 -12.630 8.496 0.577 1.00 3.22 H new ATOM 0 HG SER A 32 -14.214 7.239 -0.560 1.00 73.41 H new ATOM 444 N THR A 33 -10.026 7.769 -2.692 1.00 0.35 N ATOM 445 CA THR A 33 -9.546 7.128 -3.945 1.00 40.10 C ATOM 446 C THR A 33 -9.197 5.651 -3.686 1.00 20.22 C ATOM 447 O THR A 33 -9.053 5.244 -2.537 1.00 74.30 O ATOM 448 CB THR A 33 -8.310 7.888 -4.553 1.00 31.11 C ATOM 449 OG1 THR A 33 -7.883 7.262 -5.778 1.00 1.02 O ATOM 450 CG2 THR A 33 -7.125 7.966 -3.571 1.00 72.30 C ATOM 0 H THR A 33 -9.380 7.657 -1.911 1.00 0.35 H new ATOM 0 HA THR A 33 -10.353 7.181 -4.676 1.00 40.10 H new ATOM 0 HB THR A 33 -8.639 8.907 -4.757 1.00 31.11 H new ATOM 0 HG1 THR A 33 -7.115 7.748 -6.143 1.00 1.02 H new ATOM 0 HG21 THR A 33 -6.299 8.500 -4.040 1.00 72.30 H new ATOM 0 HG22 THR A 33 -7.434 8.495 -2.669 1.00 72.30 H new ATOM 0 HG23 THR A 33 -6.803 6.958 -3.308 1.00 72.30 H new ATOM 458 N THR A 34 -9.099 4.837 -4.748 1.00 31.02 N ATOM 459 CA THR A 34 -8.796 3.391 -4.625 1.00 13.12 C ATOM 460 C THR A 34 -7.571 3.005 -5.491 1.00 31.55 C ATOM 461 O THR A 34 -7.616 3.067 -6.727 1.00 42.41 O ATOM 462 CB THR A 34 -10.048 2.525 -5.004 1.00 31.33 C ATOM 463 OG1 THR A 34 -11.152 2.873 -4.145 1.00 74.41 O ATOM 464 CG2 THR A 34 -9.788 1.014 -4.885 1.00 63.35 C ATOM 0 H THR A 34 -9.225 5.152 -5.710 1.00 31.02 H new ATOM 0 HA THR A 34 -8.547 3.186 -3.584 1.00 13.12 H new ATOM 0 HB THR A 34 -10.278 2.741 -6.047 1.00 31.33 H new ATOM 0 HG1 THR A 34 -11.935 2.333 -4.383 1.00 74.41 H new ATOM 0 HG21 THR A 34 -10.690 0.467 -5.160 1.00 63.35 H new ATOM 0 HG22 THR A 34 -8.974 0.731 -5.553 1.00 63.35 H new ATOM 0 HG23 THR A 34 -9.515 0.772 -3.858 1.00 63.35 H new ATOM 472 N TYR A 35 -6.483 2.607 -4.811 1.00 24.41 N ATOM 473 CA TYR A 35 -5.219 2.176 -5.443 1.00 23.14 C ATOM 474 C TYR A 35 -5.220 0.642 -5.654 1.00 42.34 C ATOM 475 O TYR A 35 -5.618 -0.106 -4.757 1.00 63.25 O ATOM 476 CB TYR A 35 -4.023 2.608 -4.535 1.00 60.33 C ATOM 477 CG TYR A 35 -2.651 2.043 -4.946 1.00 20.34 C ATOM 478 CD1 TYR A 35 -1.981 2.527 -6.071 1.00 44.25 C ATOM 479 CD2 TYR A 35 -2.042 1.008 -4.226 1.00 10.14 C ATOM 480 CE1 TYR A 35 -0.762 2.006 -6.460 1.00 72.15 C ATOM 481 CE2 TYR A 35 -0.826 0.485 -4.618 1.00 11.25 C ATOM 482 CZ TYR A 35 -0.188 0.987 -5.734 1.00 21.15 C ATOM 483 OH TYR A 35 1.021 0.458 -6.135 1.00 41.53 O ATOM 0 H TYR A 35 -6.454 2.574 -3.792 1.00 24.41 H new ATOM 0 HA TYR A 35 -5.117 2.649 -6.420 1.00 23.14 H new ATOM 0 HB2 TYR A 35 -3.964 3.696 -4.533 1.00 60.33 H new ATOM 0 HB3 TYR A 35 -4.234 2.298 -3.512 1.00 60.33 H new ATOM 0 HD1 TYR A 35 -2.424 3.325 -6.649 1.00 44.25 H new ATOM 0 HD2 TYR A 35 -2.532 0.612 -3.349 1.00 10.14 H new ATOM 0 HE1 TYR A 35 -0.260 2.398 -7.332 1.00 72.15 H new ATOM 0 HE2 TYR A 35 -0.374 -0.316 -4.052 1.00 11.25 H new ATOM 0 HH TYR A 35 1.326 0.917 -6.945 1.00 41.53 H new ATOM 493 N THR A 36 -4.776 0.175 -6.837 1.00 70.00 N ATOM 494 CA THR A 36 -4.608 -1.274 -7.111 1.00 41.31 C ATOM 495 C THR A 36 -3.184 -1.728 -6.719 1.00 50.21 C ATOM 496 O THR A 36 -2.188 -1.243 -7.276 1.00 51.22 O ATOM 497 CB THR A 36 -4.890 -1.627 -8.611 1.00 31.12 C ATOM 498 OG1 THR A 36 -6.209 -1.175 -8.969 1.00 4.11 O ATOM 499 CG2 THR A 36 -4.774 -3.146 -8.893 1.00 1.14 C ATOM 0 H THR A 36 -4.526 0.777 -7.622 1.00 70.00 H new ATOM 0 HA THR A 36 -5.341 -1.807 -6.505 1.00 41.31 H new ATOM 0 HB THR A 36 -4.134 -1.123 -9.213 1.00 31.12 H new ATOM 0 HG1 THR A 36 -6.386 -1.394 -9.908 1.00 4.11 H new ATOM 0 HG21 THR A 36 -4.979 -3.337 -9.946 1.00 1.14 H new ATOM 0 HG22 THR A 36 -3.767 -3.485 -8.652 1.00 1.14 H new ATOM 0 HG23 THR A 36 -5.495 -3.686 -8.279 1.00 1.14 H new ATOM 507 N VAL A 37 -3.112 -2.666 -5.763 1.00 4.31 N ATOM 508 CA VAL A 37 -1.848 -3.157 -5.185 1.00 4.51 C ATOM 509 C VAL A 37 -1.121 -4.112 -6.170 1.00 31.52 C ATOM 510 O VAL A 37 -1.698 -5.103 -6.632 1.00 13.03 O ATOM 511 CB VAL A 37 -2.121 -3.880 -3.812 1.00 40.11 C ATOM 512 CG1 VAL A 37 -0.815 -4.346 -3.132 1.00 22.41 C ATOM 513 CG2 VAL A 37 -2.944 -2.973 -2.868 1.00 12.33 C ATOM 0 H VAL A 37 -3.938 -3.111 -5.364 1.00 4.31 H new ATOM 0 HA VAL A 37 -1.198 -2.301 -5.006 1.00 4.51 H new ATOM 0 HB VAL A 37 -2.706 -4.774 -4.028 1.00 40.11 H new ATOM 0 HG11 VAL A 37 -1.052 -4.839 -2.189 1.00 22.41 H new ATOM 0 HG12 VAL A 37 -0.294 -5.045 -3.786 1.00 22.41 H new ATOM 0 HG13 VAL A 37 -0.177 -3.483 -2.940 1.00 22.41 H new ATOM 0 HG21 VAL A 37 -3.120 -3.493 -1.926 1.00 12.33 H new ATOM 0 HG22 VAL A 37 -2.393 -2.052 -2.676 1.00 12.33 H new ATOM 0 HG23 VAL A 37 -3.899 -2.734 -3.335 1.00 12.33 H new ATOM 523 N THR A 38 0.153 -3.803 -6.459 1.00 25.50 N ATOM 524 CA THR A 38 0.971 -4.491 -7.477 1.00 14.12 C ATOM 525 C THR A 38 2.119 -5.262 -6.793 1.00 73.34 C ATOM 526 O THR A 38 3.105 -4.659 -6.350 1.00 32.03 O ATOM 527 CB THR A 38 1.557 -3.451 -8.497 1.00 12.45 C ATOM 528 OG1 THR A 38 0.489 -2.652 -9.038 1.00 1.31 O ATOM 529 CG2 THR A 38 2.327 -4.127 -9.656 1.00 14.03 C ATOM 0 H THR A 38 0.656 -3.053 -5.984 1.00 25.50 H new ATOM 0 HA THR A 38 0.340 -5.196 -8.019 1.00 14.12 H new ATOM 0 HB THR A 38 2.265 -2.827 -7.952 1.00 12.45 H new ATOM 0 HG1 THR A 38 0.856 -2.002 -9.673 1.00 1.31 H new ATOM 0 HG21 THR A 38 2.711 -3.363 -10.332 1.00 14.03 H new ATOM 0 HG22 THR A 38 3.158 -4.705 -9.252 1.00 14.03 H new ATOM 0 HG23 THR A 38 1.655 -4.790 -10.202 1.00 14.03 H new ATOM 537 N ILE A 39 1.968 -6.594 -6.675 1.00 23.00 N ATOM 538 CA ILE A 39 2.971 -7.464 -6.012 1.00 41.41 C ATOM 539 C ILE A 39 4.033 -7.953 -7.037 1.00 22.53 C ATOM 540 O ILE A 39 3.672 -8.622 -8.016 1.00 72.33 O ATOM 541 CB ILE A 39 2.295 -8.718 -5.316 1.00 71.12 C ATOM 542 CG1 ILE A 39 1.063 -8.287 -4.450 1.00 65.35 C ATOM 543 CG2 ILE A 39 3.324 -9.515 -4.463 1.00 54.02 C ATOM 544 CD1 ILE A 39 1.342 -7.195 -3.427 1.00 70.24 C ATOM 0 H ILE A 39 1.157 -7.099 -7.031 1.00 23.00 H new ATOM 0 HA ILE A 39 3.455 -6.864 -5.241 1.00 41.41 H new ATOM 0 HB ILE A 39 1.936 -9.378 -6.105 1.00 71.12 H new ATOM 0 HG12 ILE A 39 0.272 -7.945 -5.117 1.00 65.35 H new ATOM 0 HG13 ILE A 39 0.682 -9.164 -3.927 1.00 65.35 H new ATOM 0 HG21 ILE A 39 2.829 -10.368 -3.999 1.00 54.02 H new ATOM 0 HG22 ILE A 39 4.132 -9.868 -5.104 1.00 54.02 H new ATOM 0 HG23 ILE A 39 3.733 -8.867 -3.688 1.00 54.02 H new ATOM 0 HD11 ILE A 39 0.428 -6.968 -2.879 1.00 70.24 H new ATOM 0 HD12 ILE A 39 2.107 -7.536 -2.730 1.00 70.24 H new ATOM 0 HD13 ILE A 39 1.691 -6.298 -3.938 1.00 70.24 H new ATOM 556 N PRO A 40 5.356 -7.610 -6.854 1.00 11.21 N ATOM 557 CA PRO A 40 6.450 -8.148 -7.709 1.00 22.40 C ATOM 558 C PRO A 40 6.582 -9.693 -7.595 1.00 64.34 C ATOM 559 O PRO A 40 6.512 -10.246 -6.491 1.00 50.15 O ATOM 560 CB PRO A 40 7.727 -7.421 -7.183 1.00 1.33 C ATOM 561 CG PRO A 40 7.205 -6.223 -6.440 1.00 70.44 C ATOM 562 CD PRO A 40 5.885 -6.665 -5.839 1.00 43.52 C ATOM 0 HA PRO A 40 6.269 -7.969 -8.769 1.00 22.40 H new ATOM 0 HB2 PRO A 40 8.311 -8.069 -6.529 1.00 1.33 H new ATOM 0 HB3 PRO A 40 8.380 -7.124 -8.004 1.00 1.33 H new ATOM 0 HG2 PRO A 40 7.903 -5.907 -5.665 1.00 70.44 H new ATOM 0 HG3 PRO A 40 7.067 -5.375 -7.110 1.00 70.44 H new ATOM 0 HD2 PRO A 40 6.023 -7.148 -4.872 1.00 43.52 H new ATOM 0 HD3 PRO A 40 5.211 -5.823 -5.682 1.00 43.52 H new ATOM 570 N ASP A 41 6.750 -10.371 -8.750 1.00 62.15 N ATOM 571 CA ASP A 41 6.860 -11.847 -8.809 1.00 70.12 C ATOM 572 C ASP A 41 8.146 -12.341 -8.084 1.00 23.35 C ATOM 573 O ASP A 41 9.223 -11.752 -8.239 1.00 53.33 O ATOM 574 CB ASP A 41 6.814 -12.336 -10.284 1.00 21.54 C ATOM 575 CG ASP A 41 6.764 -13.872 -10.413 1.00 65.32 C ATOM 576 OD1 ASP A 41 5.770 -14.481 -9.966 1.00 45.23 O ATOM 577 OD2 ASP A 41 7.710 -14.478 -10.956 1.00 64.03 O ATOM 0 H ASP A 41 6.813 -9.917 -9.661 1.00 62.15 H new ATOM 0 HA ASP A 41 6.007 -12.278 -8.285 1.00 70.12 H new ATOM 0 HB2 ASP A 41 5.940 -11.908 -10.775 1.00 21.54 H new ATOM 0 HB3 ASP A 41 7.691 -11.962 -10.812 1.00 21.54 H new ATOM 582 N GLY A 42 8.002 -13.418 -7.289 1.00 75.22 N ATOM 583 CA GLY A 42 9.062 -13.884 -6.371 1.00 43.22 C ATOM 584 C GLY A 42 8.767 -13.525 -4.906 1.00 32.34 C ATOM 585 O GLY A 42 9.322 -14.134 -3.980 1.00 53.54 O ATOM 0 H GLY A 42 7.155 -13.986 -7.263 1.00 75.22 H new ATOM 0 HA2 GLY A 42 9.169 -14.965 -6.463 1.00 43.22 H new ATOM 0 HA3 GLY A 42 10.014 -13.443 -6.666 1.00 43.22 H new ATOM 589 N TYR A 43 7.887 -12.516 -4.709 1.00 74.41 N ATOM 590 CA TYR A 43 7.406 -12.078 -3.380 1.00 30.15 C ATOM 591 C TYR A 43 5.945 -12.529 -3.186 1.00 33.30 C ATOM 592 O TYR A 43 5.168 -12.579 -4.150 1.00 52.24 O ATOM 593 CB TYR A 43 7.489 -10.527 -3.229 1.00 31.25 C ATOM 594 CG TYR A 43 8.885 -9.919 -3.461 1.00 70.12 C ATOM 595 CD1 TYR A 43 9.416 -9.795 -4.753 1.00 63.23 C ATOM 596 CD2 TYR A 43 9.671 -9.459 -2.395 1.00 31.43 C ATOM 597 CE1 TYR A 43 10.661 -9.242 -4.970 1.00 60.14 C ATOM 598 CE2 TYR A 43 10.917 -8.900 -2.613 1.00 25.51 C ATOM 599 CZ TYR A 43 11.410 -8.796 -3.902 1.00 30.43 C ATOM 600 OH TYR A 43 12.656 -8.241 -4.129 1.00 63.11 O ATOM 0 H TYR A 43 7.487 -11.978 -5.478 1.00 74.41 H new ATOM 0 HA TYR A 43 8.045 -12.532 -2.623 1.00 30.15 H new ATOM 0 HB2 TYR A 43 6.791 -10.072 -3.931 1.00 31.25 H new ATOM 0 HB3 TYR A 43 7.155 -10.257 -2.227 1.00 31.25 H new ATOM 0 HD1 TYR A 43 8.837 -10.140 -5.597 1.00 63.23 H new ATOM 0 HD2 TYR A 43 9.297 -9.543 -1.385 1.00 31.43 H new ATOM 0 HE1 TYR A 43 11.048 -9.159 -5.975 1.00 60.14 H new ATOM 0 HE2 TYR A 43 11.504 -8.545 -1.779 1.00 25.51 H new ATOM 0 HH TYR A 43 13.056 -7.975 -3.275 1.00 63.11 H new ATOM 610 N GLU A 44 5.571 -12.858 -1.942 1.00 22.43 N ATOM 611 CA GLU A 44 4.183 -13.250 -1.599 1.00 5.24 C ATOM 612 C GLU A 44 3.514 -12.164 -0.728 1.00 64.33 C ATOM 613 O GLU A 44 4.133 -11.613 0.194 1.00 51.11 O ATOM 614 CB GLU A 44 4.150 -14.613 -0.860 1.00 33.53 C ATOM 615 CG GLU A 44 4.744 -15.803 -1.639 1.00 61.04 C ATOM 616 CD GLU A 44 4.619 -17.137 -0.874 1.00 73.40 C ATOM 617 OE1 GLU A 44 3.489 -17.660 -0.758 1.00 71.34 O ATOM 618 OE2 GLU A 44 5.638 -17.666 -0.384 1.00 40.52 O ATOM 0 H GLU A 44 6.210 -12.862 -1.147 1.00 22.43 H new ATOM 0 HA GLU A 44 3.628 -13.352 -2.531 1.00 5.24 H new ATOM 0 HB2 GLU A 44 4.691 -14.510 0.081 1.00 33.53 H new ATOM 0 HB3 GLU A 44 3.115 -14.846 -0.609 1.00 33.53 H new ATOM 0 HG2 GLU A 44 4.238 -15.891 -2.600 1.00 61.04 H new ATOM 0 HG3 GLU A 44 5.795 -15.606 -1.849 1.00 61.04 H new ATOM 625 N TYR A 45 2.247 -11.870 -1.043 1.00 70.22 N ATOM 626 CA TYR A 45 1.413 -10.909 -0.298 1.00 11.53 C ATOM 627 C TYR A 45 1.106 -11.425 1.137 1.00 31.51 C ATOM 628 O TYR A 45 0.335 -12.376 1.308 1.00 10.12 O ATOM 629 CB TYR A 45 0.115 -10.664 -1.119 1.00 33.33 C ATOM 630 CG TYR A 45 -0.904 -9.681 -0.514 1.00 65.32 C ATOM 631 CD1 TYR A 45 -0.686 -8.298 -0.534 1.00 23.30 C ATOM 632 CD2 TYR A 45 -2.108 -10.136 0.042 1.00 23.40 C ATOM 633 CE1 TYR A 45 -1.614 -7.417 -0.011 1.00 75.12 C ATOM 634 CE2 TYR A 45 -3.041 -9.257 0.559 1.00 24.31 C ATOM 635 CZ TYR A 45 -2.795 -7.901 0.526 1.00 15.32 C ATOM 636 OH TYR A 45 -3.728 -7.028 1.031 1.00 62.14 O ATOM 0 H TYR A 45 1.762 -12.297 -1.833 1.00 70.22 H new ATOM 0 HA TYR A 45 1.945 -9.966 -0.172 1.00 11.53 H new ATOM 0 HB2 TYR A 45 0.399 -10.297 -2.105 1.00 33.33 H new ATOM 0 HB3 TYR A 45 -0.382 -11.623 -1.266 1.00 33.33 H new ATOM 0 HD1 TYR A 45 0.225 -7.912 -0.967 1.00 23.30 H new ATOM 0 HD2 TYR A 45 -2.311 -11.196 0.067 1.00 23.40 H new ATOM 0 HE1 TYR A 45 -1.419 -6.355 -0.021 1.00 75.12 H new ATOM 0 HE2 TYR A 45 -3.959 -9.631 0.987 1.00 24.31 H new ATOM 0 HH TYR A 45 -3.285 -6.196 1.301 1.00 62.14 H new ATOM 646 N VAL A 46 1.734 -10.800 2.158 1.00 70.44 N ATOM 647 CA VAL A 46 1.494 -11.146 3.586 1.00 62.32 C ATOM 648 C VAL A 46 0.204 -10.449 4.074 1.00 50.45 C ATOM 649 O VAL A 46 -0.622 -11.043 4.778 1.00 3.54 O ATOM 650 CB VAL A 46 2.702 -10.716 4.512 1.00 41.43 C ATOM 651 CG1 VAL A 46 2.503 -11.174 5.979 1.00 44.31 C ATOM 652 CG2 VAL A 46 4.041 -11.233 3.954 1.00 72.52 C ATOM 0 H VAL A 46 2.413 -10.051 2.024 1.00 70.44 H new ATOM 0 HA VAL A 46 1.392 -12.229 3.652 1.00 62.32 H new ATOM 0 HB VAL A 46 2.729 -9.626 4.513 1.00 41.43 H new ATOM 0 HG11 VAL A 46 3.357 -10.857 6.578 1.00 44.31 H new ATOM 0 HG12 VAL A 46 1.593 -10.727 6.379 1.00 44.31 H new ATOM 0 HG13 VAL A 46 2.419 -12.260 6.013 1.00 44.31 H new ATOM 0 HG21 VAL A 46 4.853 -10.922 4.611 1.00 72.52 H new ATOM 0 HG22 VAL A 46 4.016 -12.321 3.898 1.00 72.52 H new ATOM 0 HG23 VAL A 46 4.203 -10.822 2.958 1.00 72.52 H new ATOM 662 N GLY A 47 0.059 -9.175 3.678 1.00 3.01 N ATOM 663 CA GLY A 47 -1.126 -8.382 4.009 1.00 13.35 C ATOM 664 C GLY A 47 -0.911 -6.878 3.852 1.00 64.42 C ATOM 665 O GLY A 47 0.161 -6.422 3.430 1.00 13.35 O ATOM 0 H GLY A 47 0.754 -8.673 3.125 1.00 3.01 H new ATOM 0 HA2 GLY A 47 -1.952 -8.692 3.369 1.00 13.35 H new ATOM 0 HA3 GLY A 47 -1.421 -8.594 5.037 1.00 13.35 H new ATOM 669 N THR A 48 -1.949 -6.112 4.203 1.00 32.24 N ATOM 670 CA THR A 48 -1.951 -4.634 4.148 1.00 12.40 C ATOM 671 C THR A 48 -1.995 -4.042 5.572 1.00 54.34 C ATOM 672 O THR A 48 -2.670 -4.575 6.459 1.00 25.20 O ATOM 673 CB THR A 48 -3.180 -4.127 3.317 1.00 43.22 C ATOM 674 OG1 THR A 48 -3.028 -4.512 1.945 1.00 24.54 O ATOM 675 CG2 THR A 48 -3.388 -2.606 3.388 1.00 1.10 C ATOM 0 H THR A 48 -2.829 -6.502 4.540 1.00 32.24 H new ATOM 0 HA THR A 48 -1.033 -4.303 3.661 1.00 12.40 H new ATOM 0 HB THR A 48 -4.060 -4.591 3.762 1.00 43.22 H new ATOM 0 HG1 THR A 48 -3.799 -4.195 1.429 1.00 24.54 H new ATOM 0 HG21 THR A 48 -4.256 -2.329 2.789 1.00 1.10 H new ATOM 0 HG22 THR A 48 -3.552 -2.309 4.424 1.00 1.10 H new ATOM 0 HG23 THR A 48 -2.504 -2.099 3.001 1.00 1.10 H new ATOM 683 N ASP A 49 -1.261 -2.941 5.776 1.00 64.52 N ATOM 684 CA ASP A 49 -1.269 -2.170 7.032 1.00 14.13 C ATOM 685 C ASP A 49 -1.587 -0.687 6.719 1.00 51.41 C ATOM 686 O ASP A 49 -0.849 -0.047 5.977 1.00 53.32 O ATOM 687 CB ASP A 49 0.109 -2.319 7.730 1.00 64.30 C ATOM 688 CG ASP A 49 0.163 -1.656 9.112 1.00 40.03 C ATOM 689 OD1 ASP A 49 -0.633 -2.049 9.989 1.00 51.13 O ATOM 690 OD2 ASP A 49 1.016 -0.765 9.336 1.00 3.12 O ATOM 0 H ASP A 49 -0.637 -2.554 5.068 1.00 64.52 H new ATOM 0 HA ASP A 49 -2.037 -2.548 7.707 1.00 14.13 H new ATOM 0 HB2 ASP A 49 0.344 -3.378 7.833 1.00 64.30 H new ATOM 0 HB3 ASP A 49 0.880 -1.882 7.095 1.00 64.30 H new ATOM 695 N GLY A 50 -2.696 -0.151 7.273 1.00 3.55 N ATOM 696 CA GLY A 50 -3.146 1.227 6.965 1.00 21.15 C ATOM 697 C GLY A 50 -4.151 1.287 5.806 1.00 12.22 C ATOM 698 O GLY A 50 -4.163 0.401 4.940 1.00 20.22 O ATOM 0 H GLY A 50 -3.295 -0.648 7.933 1.00 3.55 H new ATOM 0 HA2 GLY A 50 -3.601 1.662 7.855 1.00 21.15 H new ATOM 0 HA3 GLY A 50 -2.279 1.839 6.718 1.00 21.15 H new ATOM 702 N GLY A 51 -5.000 2.341 5.782 1.00 33.03 N ATOM 703 CA GLY A 51 -6.062 2.473 4.766 1.00 21.25 C ATOM 704 C GLY A 51 -7.218 1.482 4.960 1.00 63.21 C ATOM 705 O GLY A 51 -7.504 1.071 6.091 1.00 32.10 O ATOM 0 H GLY A 51 -4.968 3.108 6.454 1.00 33.03 H new ATOM 0 HA2 GLY A 51 -6.456 3.489 4.793 1.00 21.25 H new ATOM 0 HA3 GLY A 51 -5.629 2.325 3.777 1.00 21.25 H new ATOM 709 N VAL A 52 -7.906 1.116 3.856 1.00 61.54 N ATOM 710 CA VAL A 52 -8.990 0.093 3.869 1.00 74.11 C ATOM 711 C VAL A 52 -8.729 -0.962 2.768 1.00 13.34 C ATOM 712 O VAL A 52 -8.921 -0.681 1.585 1.00 73.12 O ATOM 713 CB VAL A 52 -10.414 0.747 3.650 1.00 60.21 C ATOM 714 CG1 VAL A 52 -11.544 -0.313 3.588 1.00 51.10 C ATOM 715 CG2 VAL A 52 -10.717 1.802 4.735 1.00 0.43 C ATOM 0 H VAL A 52 -7.732 1.515 2.934 1.00 61.54 H new ATOM 0 HA VAL A 52 -8.985 -0.384 4.849 1.00 74.11 H new ATOM 0 HB VAL A 52 -10.384 1.246 2.682 1.00 60.21 H new ATOM 0 HG11 VAL A 52 -12.502 0.185 3.437 1.00 51.10 H new ATOM 0 HG12 VAL A 52 -11.356 -0.997 2.761 1.00 51.10 H new ATOM 0 HG13 VAL A 52 -11.570 -0.873 4.523 1.00 51.10 H new ATOM 0 HG21 VAL A 52 -11.702 2.234 4.558 1.00 0.43 H new ATOM 0 HG22 VAL A 52 -10.699 1.329 5.717 1.00 0.43 H new ATOM 0 HG23 VAL A 52 -9.964 2.589 4.698 1.00 0.43 H new ATOM 725 N VAL A 53 -8.291 -2.171 3.158 1.00 20.20 N ATOM 726 CA VAL A 53 -8.028 -3.266 2.201 1.00 25.13 C ATOM 727 C VAL A 53 -9.329 -4.041 1.861 1.00 21.22 C ATOM 728 O VAL A 53 -10.154 -4.326 2.738 1.00 32.02 O ATOM 729 CB VAL A 53 -6.915 -4.251 2.730 1.00 31.23 C ATOM 730 CG1 VAL A 53 -7.313 -4.936 4.056 1.00 4.43 C ATOM 731 CG2 VAL A 53 -6.513 -5.292 1.655 1.00 54.35 C ATOM 0 H VAL A 53 -8.110 -2.418 4.131 1.00 20.20 H new ATOM 0 HA VAL A 53 -7.655 -2.807 1.285 1.00 25.13 H new ATOM 0 HB VAL A 53 -6.038 -3.639 2.943 1.00 31.23 H new ATOM 0 HG11 VAL A 53 -6.512 -5.603 4.376 1.00 4.43 H new ATOM 0 HG12 VAL A 53 -7.481 -4.178 4.821 1.00 4.43 H new ATOM 0 HG13 VAL A 53 -8.227 -5.511 3.908 1.00 4.43 H new ATOM 0 HG21 VAL A 53 -5.744 -5.952 2.057 1.00 54.35 H new ATOM 0 HG22 VAL A 53 -7.386 -5.881 1.374 1.00 54.35 H new ATOM 0 HG23 VAL A 53 -6.125 -4.777 0.776 1.00 54.35 H new ATOM 741 N SER A 54 -9.501 -4.356 0.566 1.00 62.00 N ATOM 742 CA SER A 54 -10.656 -5.134 0.055 1.00 71.40 C ATOM 743 C SER A 54 -10.482 -6.656 0.319 1.00 40.32 C ATOM 744 O SER A 54 -9.394 -7.107 0.702 1.00 22.52 O ATOM 745 CB SER A 54 -10.843 -4.851 -1.455 1.00 73.21 C ATOM 746 OG SER A 54 -11.950 -5.560 -2.001 1.00 60.52 O ATOM 0 H SER A 54 -8.844 -4.080 -0.163 1.00 62.00 H new ATOM 0 HA SER A 54 -11.551 -4.818 0.591 1.00 71.40 H new ATOM 0 HB2 SER A 54 -10.988 -3.781 -1.607 1.00 73.21 H new ATOM 0 HB3 SER A 54 -9.935 -5.129 -1.990 1.00 73.21 H new ATOM 0 HG SER A 54 -12.033 -5.352 -2.955 1.00 60.52 H new ATOM 752 N SER A 55 -11.564 -7.432 0.090 1.00 40.22 N ATOM 753 CA SER A 55 -11.655 -8.875 0.458 1.00 64.42 C ATOM 754 C SER A 55 -10.536 -9.750 -0.169 1.00 44.14 C ATOM 755 O SER A 55 -9.918 -10.565 0.523 1.00 2.45 O ATOM 756 CB SER A 55 -13.041 -9.431 0.047 1.00 24.01 C ATOM 757 OG SER A 55 -13.251 -9.308 -1.354 1.00 61.14 O ATOM 0 H SER A 55 -12.409 -7.078 -0.359 1.00 40.22 H new ATOM 0 HA SER A 55 -11.521 -8.928 1.539 1.00 64.42 H new ATOM 0 HB2 SER A 55 -13.116 -10.479 0.338 1.00 24.01 H new ATOM 0 HB3 SER A 55 -13.824 -8.895 0.583 1.00 24.01 H new ATOM 0 HG SER A 55 -14.133 -9.668 -1.586 1.00 61.14 H new ATOM 763 N ASP A 56 -10.274 -9.551 -1.474 1.00 65.14 N ATOM 764 CA ASP A 56 -9.268 -10.345 -2.230 1.00 63.22 C ATOM 765 C ASP A 56 -7.849 -9.691 -2.150 1.00 60.25 C ATOM 766 O ASP A 56 -6.870 -10.244 -2.657 1.00 50.04 O ATOM 767 CB ASP A 56 -9.755 -10.518 -3.700 1.00 15.54 C ATOM 768 CG ASP A 56 -8.965 -11.572 -4.515 1.00 43.12 C ATOM 769 OD1 ASP A 56 -8.706 -12.675 -3.989 1.00 23.43 O ATOM 770 OD2 ASP A 56 -8.621 -11.310 -5.688 1.00 11.02 O ATOM 0 H ASP A 56 -10.745 -8.843 -2.037 1.00 65.14 H new ATOM 0 HA ASP A 56 -9.172 -11.333 -1.779 1.00 63.22 H new ATOM 0 HB2 ASP A 56 -10.808 -10.798 -3.691 1.00 15.54 H new ATOM 0 HB3 ASP A 56 -9.686 -9.556 -4.209 1.00 15.54 H new ATOM 775 N GLY A 57 -7.756 -8.510 -1.492 1.00 55.01 N ATOM 776 CA GLY A 57 -6.470 -7.817 -1.262 1.00 71.13 C ATOM 777 C GLY A 57 -5.859 -7.140 -2.497 1.00 14.41 C ATOM 778 O GLY A 57 -4.720 -6.657 -2.439 1.00 3.23 O ATOM 0 H GLY A 57 -8.563 -8.017 -1.110 1.00 55.01 H new ATOM 0 HA2 GLY A 57 -6.616 -7.062 -0.489 1.00 71.13 H new ATOM 0 HA3 GLY A 57 -5.752 -8.538 -0.871 1.00 71.13 H new ATOM 782 N LYS A 58 -6.625 -7.086 -3.603 1.00 11.20 N ATOM 783 CA LYS A 58 -6.169 -6.497 -4.888 1.00 45.15 C ATOM 784 C LYS A 58 -6.185 -4.955 -4.878 1.00 14.42 C ATOM 785 O LYS A 58 -5.442 -4.322 -5.627 1.00 31.14 O ATOM 786 CB LYS A 58 -7.056 -7.013 -6.058 1.00 40.53 C ATOM 787 CG LYS A 58 -6.889 -8.515 -6.366 1.00 53.43 C ATOM 788 CD LYS A 58 -5.450 -8.857 -6.822 1.00 34.15 C ATOM 789 CE LYS A 58 -5.269 -10.342 -7.156 1.00 61.34 C ATOM 790 NZ LYS A 58 -3.899 -10.627 -7.669 1.00 55.34 N ATOM 0 H LYS A 58 -7.578 -7.448 -3.637 1.00 11.20 H new ATOM 0 HA LYS A 58 -5.135 -6.814 -5.028 1.00 45.15 H new ATOM 0 HB2 LYS A 58 -8.101 -6.817 -5.820 1.00 40.53 H new ATOM 0 HB3 LYS A 58 -6.821 -6.442 -6.956 1.00 40.53 H new ATOM 0 HG2 LYS A 58 -7.136 -9.097 -5.478 1.00 53.43 H new ATOM 0 HG3 LYS A 58 -7.595 -8.806 -7.144 1.00 53.43 H new ATOM 0 HD2 LYS A 58 -5.200 -8.259 -7.699 1.00 34.15 H new ATOM 0 HD3 LYS A 58 -4.749 -8.578 -6.035 1.00 34.15 H new ATOM 0 HE2 LYS A 58 -5.456 -10.941 -6.265 1.00 61.34 H new ATOM 0 HE3 LYS A 58 -6.006 -10.640 -7.901 1.00 61.34 H new ATOM 0 HZ1 LYS A 58 -3.813 -11.641 -7.884 1.00 55.34 H new ATOM 0 HZ2 LYS A 58 -3.730 -10.074 -8.533 1.00 55.34 H new ATOM 0 HZ3 LYS A 58 -3.197 -10.366 -6.948 1.00 55.34 H new ATOM 804 N THR A 59 -7.066 -4.366 -4.056 1.00 15.43 N ATOM 805 CA THR A 59 -7.268 -2.899 -3.989 1.00 43.35 C ATOM 806 C THR A 59 -7.362 -2.401 -2.530 1.00 61.15 C ATOM 807 O THR A 59 -7.934 -3.076 -1.666 1.00 64.04 O ATOM 808 CB THR A 59 -8.566 -2.471 -4.765 1.00 2.21 C ATOM 809 OG1 THR A 59 -9.684 -3.264 -4.326 1.00 23.50 O ATOM 810 CG2 THR A 59 -8.413 -2.600 -6.293 1.00 71.13 C ATOM 0 H THR A 59 -7.663 -4.889 -3.415 1.00 15.43 H new ATOM 0 HA THR A 59 -6.398 -2.441 -4.459 1.00 43.35 H new ATOM 0 HB THR A 59 -8.738 -1.418 -4.541 1.00 2.21 H new ATOM 0 HG1 THR A 59 -10.490 -2.991 -4.812 1.00 23.50 H new ATOM 0 HG21 THR A 59 -9.339 -2.291 -6.779 1.00 71.13 H new ATOM 0 HG22 THR A 59 -7.596 -1.963 -6.632 1.00 71.13 H new ATOM 0 HG23 THR A 59 -8.196 -3.637 -6.551 1.00 71.13 H new ATOM 818 N VAL A 60 -6.774 -1.214 -2.264 1.00 53.40 N ATOM 819 CA VAL A 60 -6.861 -0.520 -0.958 1.00 43.20 C ATOM 820 C VAL A 60 -7.359 0.931 -1.160 1.00 62.23 C ATOM 821 O VAL A 60 -6.796 1.683 -1.968 1.00 74.32 O ATOM 822 CB VAL A 60 -5.475 -0.492 -0.195 1.00 22.15 C ATOM 823 CG1 VAL A 60 -5.584 0.258 1.158 1.00 54.41 C ATOM 824 CG2 VAL A 60 -4.921 -1.919 0.022 1.00 4.44 C ATOM 0 H VAL A 60 -6.221 -0.706 -2.954 1.00 53.40 H new ATOM 0 HA VAL A 60 -7.568 -1.082 -0.347 1.00 43.20 H new ATOM 0 HB VAL A 60 -4.774 0.053 -0.828 1.00 22.15 H new ATOM 0 HG11 VAL A 60 -4.613 0.257 1.654 1.00 54.41 H new ATOM 0 HG12 VAL A 60 -5.899 1.286 0.980 1.00 54.41 H new ATOM 0 HG13 VAL A 60 -6.316 -0.241 1.793 1.00 54.41 H new ATOM 0 HG21 VAL A 60 -3.968 -1.863 0.549 1.00 4.44 H new ATOM 0 HG22 VAL A 60 -5.630 -2.498 0.614 1.00 4.44 H new ATOM 0 HG23 VAL A 60 -4.774 -2.403 -0.944 1.00 4.44 H new ATOM 834 N THR A 61 -8.422 1.307 -0.427 1.00 31.23 N ATOM 835 CA THR A 61 -8.944 2.681 -0.403 1.00 20.42 C ATOM 836 C THR A 61 -8.033 3.606 0.437 1.00 54.35 C ATOM 837 O THR A 61 -7.718 3.318 1.600 1.00 72.43 O ATOM 838 CB THR A 61 -10.399 2.737 0.175 1.00 64.42 C ATOM 839 OG1 THR A 61 -11.260 1.878 -0.588 1.00 21.01 O ATOM 840 CG2 THR A 61 -10.985 4.167 0.177 1.00 31.31 C ATOM 0 H THR A 61 -8.944 0.662 0.167 1.00 31.23 H new ATOM 0 HA THR A 61 -8.962 3.028 -1.436 1.00 20.42 H new ATOM 0 HB THR A 61 -10.341 2.402 1.210 1.00 64.42 H new ATOM 0 HG1 THR A 61 -12.168 1.916 -0.221 1.00 21.01 H new ATOM 0 HG21 THR A 61 -11.994 4.146 0.588 1.00 31.31 H new ATOM 0 HG22 THR A 61 -10.358 4.816 0.788 1.00 31.31 H new ATOM 0 HG23 THR A 61 -11.016 4.549 -0.843 1.00 31.31 H new ATOM 848 N ILE A 62 -7.606 4.696 -0.191 1.00 3.22 N ATOM 849 CA ILE A 62 -6.867 5.797 0.439 1.00 12.25 C ATOM 850 C ILE A 62 -7.844 6.967 0.709 1.00 22.41 C ATOM 851 O ILE A 62 -8.383 7.540 -0.240 1.00 30.45 O ATOM 852 CB ILE A 62 -5.738 6.292 -0.536 1.00 53.00 C ATOM 853 CG1 ILE A 62 -4.852 5.102 -1.025 1.00 41.54 C ATOM 854 CG2 ILE A 62 -4.879 7.402 0.103 1.00 33.22 C ATOM 855 CD1 ILE A 62 -3.939 5.450 -2.188 1.00 74.43 C ATOM 0 H ILE A 62 -7.768 4.848 -1.187 1.00 3.22 H new ATOM 0 HA ILE A 62 -6.423 5.454 1.373 1.00 12.25 H new ATOM 0 HB ILE A 62 -6.229 6.724 -1.408 1.00 53.00 H new ATOM 0 HG12 ILE A 62 -4.244 4.749 -0.192 1.00 41.54 H new ATOM 0 HG13 ILE A 62 -5.500 4.277 -1.319 1.00 41.54 H new ATOM 0 HG21 ILE A 62 -4.110 7.718 -0.602 1.00 33.22 H new ATOM 0 HG22 ILE A 62 -5.512 8.253 0.354 1.00 33.22 H new ATOM 0 HG23 ILE A 62 -4.407 7.021 1.009 1.00 33.22 H new ATOM 0 HD11 ILE A 62 -3.357 4.572 -2.469 1.00 74.43 H new ATOM 0 HD12 ILE A 62 -4.540 5.774 -3.038 1.00 74.43 H new ATOM 0 HD13 ILE A 62 -3.264 6.254 -1.893 1.00 74.43 H new ATOM 867 N THR A 63 -8.095 7.311 1.983 1.00 12.32 N ATOM 868 CA THR A 63 -8.924 8.498 2.327 1.00 73.55 C ATOM 869 C THR A 63 -8.095 9.461 3.193 1.00 43.33 C ATOM 870 O THR A 63 -7.692 9.111 4.309 1.00 62.13 O ATOM 871 CB THR A 63 -10.256 8.135 3.072 1.00 33.20 C ATOM 872 OG1 THR A 63 -10.942 7.077 2.377 1.00 24.44 O ATOM 873 CG2 THR A 63 -11.200 9.354 3.166 1.00 3.42 C ATOM 0 H THR A 63 -7.744 6.796 2.790 1.00 12.32 H new ATOM 0 HA THR A 63 -9.212 8.968 1.386 1.00 73.55 H new ATOM 0 HB THR A 63 -9.988 7.814 4.079 1.00 33.20 H new ATOM 0 HG1 THR A 63 -11.771 6.857 2.852 1.00 24.44 H new ATOM 0 HG21 THR A 63 -12.113 9.068 3.688 1.00 3.42 H new ATOM 0 HG22 THR A 63 -10.705 10.156 3.714 1.00 3.42 H new ATOM 0 HG23 THR A 63 -11.449 9.700 2.163 1.00 3.42 H new ATOM 881 N PHE A 64 -7.868 10.673 2.670 1.00 11.54 N ATOM 882 CA PHE A 64 -6.942 11.662 3.263 1.00 61.20 C ATOM 883 C PHE A 64 -7.496 12.221 4.588 1.00 13.53 C ATOM 884 O PHE A 64 -8.712 12.358 4.751 1.00 74.43 O ATOM 885 CB PHE A 64 -6.674 12.791 2.234 1.00 74.11 C ATOM 886 CG PHE A 64 -6.178 12.254 0.887 1.00 31.35 C ATOM 887 CD1 PHE A 64 -7.089 11.858 -0.103 1.00 42.12 C ATOM 888 CD2 PHE A 64 -4.817 12.123 0.618 1.00 3.44 C ATOM 889 CE1 PHE A 64 -6.654 11.340 -1.303 1.00 35.53 C ATOM 890 CE2 PHE A 64 -4.384 11.611 -0.588 1.00 53.03 C ATOM 891 CZ PHE A 64 -5.302 11.223 -1.550 1.00 24.32 C ATOM 0 H PHE A 64 -8.322 11.002 1.818 1.00 11.54 H new ATOM 0 HA PHE A 64 -5.998 11.172 3.501 1.00 61.20 H new ATOM 0 HB2 PHE A 64 -7.590 13.361 2.079 1.00 74.11 H new ATOM 0 HB3 PHE A 64 -5.934 13.481 2.641 1.00 74.11 H new ATOM 0 HD1 PHE A 64 -8.149 11.961 0.078 1.00 42.12 H new ATOM 0 HD2 PHE A 64 -4.094 12.425 1.361 1.00 3.44 H new ATOM 0 HE1 PHE A 64 -7.370 11.026 -2.049 1.00 35.53 H new ATOM 0 HE2 PHE A 64 -3.326 11.512 -0.782 1.00 53.03 H new ATOM 0 HZ PHE A 64 -4.959 10.828 -2.495 1.00 24.32 H new ATOM 901 N ALA A 65 -6.604 12.483 5.552 1.00 55.54 N ATOM 902 CA ALA A 65 -6.992 12.971 6.893 1.00 62.30 C ATOM 903 C ALA A 65 -5.854 13.766 7.568 1.00 54.21 C ATOM 904 O ALA A 65 -4.675 13.604 7.222 1.00 14.42 O ATOM 905 CB ALA A 65 -7.425 11.786 7.779 1.00 60.50 C ATOM 0 H ALA A 65 -5.598 12.365 5.431 1.00 55.54 H new ATOM 0 HA ALA A 65 -7.833 13.654 6.770 1.00 62.30 H new ATOM 0 HB1 ALA A 65 -7.709 12.154 8.765 1.00 60.50 H new ATOM 0 HB2 ALA A 65 -8.275 11.281 7.321 1.00 60.50 H new ATOM 0 HB3 ALA A 65 -6.597 11.084 7.878 1.00 60.50 H new ATOM 911 N ALA A 66 -6.231 14.652 8.522 1.00 23.14 N ATOM 912 CA ALA A 66 -5.272 15.334 9.435 1.00 50.21 C ATOM 913 C ALA A 66 -4.489 14.319 10.315 1.00 11.43 C ATOM 914 O ALA A 66 -3.434 14.645 10.870 1.00 22.12 O ATOM 915 CB ALA A 66 -6.018 16.346 10.319 1.00 31.35 C ATOM 0 H ALA A 66 -7.203 14.915 8.682 1.00 23.14 H new ATOM 0 HA ALA A 66 -4.543 15.861 8.820 1.00 50.21 H new ATOM 0 HB1 ALA A 66 -5.309 16.840 10.984 1.00 31.35 H new ATOM 0 HB2 ALA A 66 -6.504 17.091 9.689 1.00 31.35 H new ATOM 0 HB3 ALA A 66 -6.770 15.826 10.912 1.00 31.35 H new ATOM 921 N ASP A 67 -5.053 13.103 10.464 1.00 3.35 N ATOM 922 CA ASP A 67 -4.355 11.928 11.032 1.00 73.23 C ATOM 923 C ASP A 67 -3.828 11.053 9.875 1.00 72.05 C ATOM 924 O ASP A 67 -4.591 10.732 8.963 1.00 2.03 O ATOM 925 CB ASP A 67 -5.324 11.116 11.925 1.00 42.44 C ATOM 926 CG ASP A 67 -5.842 11.944 13.105 1.00 12.22 C ATOM 927 OD1 ASP A 67 -5.136 12.027 14.132 1.00 53.03 O ATOM 928 OD2 ASP A 67 -6.927 12.553 12.999 1.00 73.44 O ATOM 0 H ASP A 67 -6.016 12.906 10.191 1.00 3.35 H new ATOM 0 HA ASP A 67 -3.518 12.257 11.648 1.00 73.23 H new ATOM 0 HB2 ASP A 67 -6.167 10.771 11.326 1.00 42.44 H new ATOM 0 HB3 ASP A 67 -4.815 10.228 12.300 1.00 42.44 H new ATOM 933 N ASP A 68 -2.539 10.664 9.919 1.00 12.33 N ATOM 934 CA ASP A 68 -1.879 9.886 8.833 1.00 22.21 C ATOM 935 C ASP A 68 -2.356 8.393 8.788 1.00 3.10 C ATOM 936 O ASP A 68 -1.631 7.456 9.144 1.00 63.11 O ATOM 937 CB ASP A 68 -0.330 10.021 8.957 1.00 74.21 C ATOM 938 CG ASP A 68 0.241 9.547 10.313 1.00 72.12 C ATOM 939 OD1 ASP A 68 -0.016 10.208 11.342 1.00 3.22 O ATOM 940 OD2 ASP A 68 0.939 8.509 10.357 1.00 24.43 O ATOM 0 H ASP A 68 -1.921 10.876 10.702 1.00 12.33 H new ATOM 0 HA ASP A 68 -2.181 10.308 7.875 1.00 22.21 H new ATOM 0 HB2 ASP A 68 0.139 9.447 8.158 1.00 74.21 H new ATOM 0 HB3 ASP A 68 -0.054 11.064 8.804 1.00 74.21 H new ATOM 945 N SER A 69 -3.605 8.200 8.332 1.00 3.55 N ATOM 946 CA SER A 69 -4.264 6.870 8.228 1.00 71.34 C ATOM 947 C SER A 69 -4.465 6.476 6.747 1.00 72.41 C ATOM 948 O SER A 69 -5.064 5.443 6.431 1.00 33.11 O ATOM 949 CB SER A 69 -5.625 6.918 8.967 1.00 13.44 C ATOM 950 OG SER A 69 -5.462 7.293 10.333 1.00 72.32 O ATOM 0 H SER A 69 -4.200 8.967 8.019 1.00 3.55 H new ATOM 0 HA SER A 69 -3.627 6.116 8.691 1.00 71.34 H new ATOM 0 HB2 SER A 69 -6.286 7.628 8.470 1.00 13.44 H new ATOM 0 HB3 SER A 69 -6.106 5.941 8.911 1.00 13.44 H new ATOM 0 HG SER A 69 -6.338 7.316 10.773 1.00 72.32 H new ATOM 956 N ASP A 70 -3.932 7.320 5.856 1.00 75.32 N ATOM 957 CA ASP A 70 -4.049 7.196 4.388 1.00 50.20 C ATOM 958 C ASP A 70 -2.750 6.627 3.757 1.00 53.11 C ATOM 959 O ASP A 70 -2.760 6.154 2.616 1.00 51.34 O ATOM 960 CB ASP A 70 -4.410 8.591 3.803 1.00 41.24 C ATOM 961 CG ASP A 70 -3.627 9.743 4.471 1.00 0.34 C ATOM 962 OD1 ASP A 70 -2.432 9.920 4.167 1.00 44.21 O ATOM 963 OD2 ASP A 70 -4.197 10.437 5.345 1.00 51.41 O ATOM 0 H ASP A 70 -3.389 8.136 6.140 1.00 75.32 H new ATOM 0 HA ASP A 70 -4.839 6.486 4.145 1.00 50.20 H new ATOM 0 HB2 ASP A 70 -4.208 8.594 2.732 1.00 41.24 H new ATOM 0 HB3 ASP A 70 -5.479 8.766 3.926 1.00 41.24 H new ATOM 968 N ASN A 71 -1.638 6.683 4.516 1.00 12.43 N ATOM 969 CA ASN A 71 -0.342 6.100 4.107 1.00 25.20 C ATOM 970 C ASN A 71 -0.375 4.569 4.335 1.00 74.25 C ATOM 971 O ASN A 71 -0.365 4.103 5.482 1.00 60.22 O ATOM 972 CB ASN A 71 0.819 6.742 4.907 1.00 53.22 C ATOM 973 CG ASN A 71 0.845 8.265 4.789 1.00 60.12 C ATOM 974 OD1 ASN A 71 1.459 8.822 3.882 1.00 70.12 O ATOM 975 ND2 ASN A 71 0.176 8.946 5.695 1.00 62.53 N ATOM 0 H ASN A 71 -1.612 7.134 5.431 1.00 12.43 H new ATOM 0 HA ASN A 71 -0.175 6.303 3.049 1.00 25.20 H new ATOM 0 HB2 ASN A 71 0.728 6.465 5.957 1.00 53.22 H new ATOM 0 HB3 ASN A 71 1.767 6.338 4.551 1.00 53.22 H new ATOM 0 HD21 ASN A 71 0.157 9.965 5.656 1.00 62.53 H new ATOM 0 HD22 ASN A 71 -0.324 8.455 6.436 1.00 62.53 H new ATOM 982 N VAL A 72 -0.439 3.800 3.237 1.00 61.03 N ATOM 983 CA VAL A 72 -0.652 2.337 3.281 1.00 34.00 C ATOM 984 C VAL A 72 0.675 1.569 3.066 1.00 25.11 C ATOM 985 O VAL A 72 1.296 1.677 2.010 1.00 53.14 O ATOM 986 CB VAL A 72 -1.698 1.911 2.186 1.00 22.23 C ATOM 987 CG1 VAL A 72 -1.947 0.390 2.189 1.00 72.42 C ATOM 988 CG2 VAL A 72 -3.024 2.699 2.342 1.00 55.21 C ATOM 0 H VAL A 72 -0.345 4.171 2.291 1.00 61.03 H new ATOM 0 HA VAL A 72 -1.036 2.083 4.269 1.00 34.00 H new ATOM 0 HB VAL A 72 -1.270 2.163 1.216 1.00 22.23 H new ATOM 0 HG11 VAL A 72 -2.675 0.139 1.418 1.00 72.42 H new ATOM 0 HG12 VAL A 72 -1.012 -0.132 1.988 1.00 72.42 H new ATOM 0 HG13 VAL A 72 -2.330 0.086 3.163 1.00 72.42 H new ATOM 0 HG21 VAL A 72 -3.728 2.383 1.572 1.00 55.21 H new ATOM 0 HG22 VAL A 72 -3.451 2.502 3.326 1.00 55.21 H new ATOM 0 HG23 VAL A 72 -2.827 3.766 2.239 1.00 55.21 H new ATOM 998 N VAL A 73 1.080 0.771 4.064 1.00 42.31 N ATOM 999 CA VAL A 73 2.301 -0.055 4.014 1.00 33.53 C ATOM 1000 C VAL A 73 1.944 -1.526 3.662 1.00 11.43 C ATOM 1001 O VAL A 73 1.324 -2.234 4.465 1.00 72.34 O ATOM 1002 CB VAL A 73 3.069 -0.006 5.391 1.00 63.50 C ATOM 1003 CG1 VAL A 73 4.377 -0.828 5.345 1.00 70.15 C ATOM 1004 CG2 VAL A 73 3.347 1.456 5.822 1.00 0.33 C ATOM 0 H VAL A 73 0.565 0.678 4.940 1.00 42.31 H new ATOM 0 HA VAL A 73 2.951 0.350 3.239 1.00 33.53 H new ATOM 0 HB VAL A 73 2.422 -0.463 6.140 1.00 63.50 H new ATOM 0 HG11 VAL A 73 4.877 -0.770 6.312 1.00 70.15 H new ATOM 0 HG12 VAL A 73 4.145 -1.869 5.119 1.00 70.15 H new ATOM 0 HG13 VAL A 73 5.032 -0.426 4.572 1.00 70.15 H new ATOM 0 HG21 VAL A 73 3.877 1.460 6.774 1.00 0.33 H new ATOM 0 HG22 VAL A 73 3.957 1.949 5.065 1.00 0.33 H new ATOM 0 HG23 VAL A 73 2.403 1.989 5.930 1.00 0.33 H new ATOM 1014 N ILE A 74 2.342 -1.975 2.457 1.00 44.51 N ATOM 1015 CA ILE A 74 2.102 -3.358 1.986 1.00 40.23 C ATOM 1016 C ILE A 74 3.282 -4.273 2.406 1.00 42.13 C ATOM 1017 O ILE A 74 4.420 -4.068 1.972 1.00 70.12 O ATOM 1018 CB ILE A 74 1.925 -3.407 0.417 1.00 54.01 C ATOM 1019 CG1 ILE A 74 0.822 -2.399 -0.061 1.00 45.42 C ATOM 1020 CG2 ILE A 74 1.613 -4.850 -0.077 1.00 2.44 C ATOM 1021 CD1 ILE A 74 -0.585 -2.678 0.461 1.00 1.10 C ATOM 0 H ILE A 74 2.838 -1.393 1.782 1.00 44.51 H new ATOM 0 HA ILE A 74 1.180 -3.714 2.446 1.00 40.23 H new ATOM 0 HB ILE A 74 2.873 -3.104 -0.028 1.00 54.01 H new ATOM 0 HG12 ILE A 74 1.113 -1.394 0.246 1.00 45.42 H new ATOM 0 HG13 ILE A 74 0.795 -2.404 -1.151 1.00 45.42 H new ATOM 0 HG21 ILE A 74 1.497 -4.846 -1.161 1.00 2.44 H new ATOM 0 HG22 ILE A 74 2.432 -5.514 0.198 1.00 2.44 H new ATOM 0 HG23 ILE A 74 0.690 -5.201 0.385 1.00 2.44 H new ATOM 0 HD11 ILE A 74 -1.273 -1.926 0.074 1.00 1.10 H new ATOM 0 HD12 ILE A 74 -0.906 -3.667 0.132 1.00 1.10 H new ATOM 0 HD13 ILE A 74 -0.583 -2.641 1.550 1.00 1.10 H new ATOM 1033 N HIS A 75 3.004 -5.280 3.253 1.00 64.30 N ATOM 1034 CA HIS A 75 4.033 -6.217 3.768 1.00 44.33 C ATOM 1035 C HIS A 75 4.180 -7.438 2.824 1.00 72.31 C ATOM 1036 O HIS A 75 3.185 -8.112 2.519 1.00 72.23 O ATOM 1037 CB HIS A 75 3.657 -6.664 5.209 1.00 21.15 C ATOM 1038 CG HIS A 75 3.777 -5.562 6.242 1.00 40.01 C ATOM 1039 ND1 HIS A 75 4.748 -5.552 7.223 1.00 73.22 N ATOM 1040 CD2 HIS A 75 3.055 -4.424 6.432 1.00 25.33 C ATOM 1041 CE1 HIS A 75 4.621 -4.468 7.962 1.00 41.14 C ATOM 1042 NE2 HIS A 75 3.608 -3.769 7.502 1.00 54.05 N ATOM 0 H HIS A 75 2.065 -5.472 3.602 1.00 64.30 H new ATOM 0 HA HIS A 75 4.997 -5.708 3.801 1.00 44.33 H new ATOM 0 HB2 HIS A 75 2.633 -7.038 5.208 1.00 21.15 H new ATOM 0 HB3 HIS A 75 4.300 -7.495 5.501 1.00 21.15 H new ATOM 0 HD1 HIS A 75 5.456 -6.274 7.356 1.00 73.22 H new ATOM 0 HD2 HIS A 75 2.206 -4.098 5.849 1.00 25.33 H new ATOM 0 HE1 HIS A 75 5.244 -4.200 8.803 1.00 41.14 H new ATOM 1051 N LEU A 76 5.425 -7.709 2.353 1.00 60.44 N ATOM 1052 CA LEU A 76 5.717 -8.825 1.411 1.00 52.24 C ATOM 1053 C LEU A 76 6.844 -9.741 1.941 1.00 72.41 C ATOM 1054 O LEU A 76 7.891 -9.271 2.367 1.00 15.34 O ATOM 1055 CB LEU A 76 6.154 -8.250 0.030 1.00 14.50 C ATOM 1056 CG LEU A 76 5.125 -7.329 -0.686 1.00 1.23 C ATOM 1057 CD1 LEU A 76 5.678 -6.790 -2.024 1.00 61.14 C ATOM 1058 CD2 LEU A 76 3.781 -8.060 -0.886 1.00 65.42 C ATOM 0 H LEU A 76 6.249 -7.166 2.612 1.00 60.44 H new ATOM 0 HA LEU A 76 4.805 -9.414 1.311 1.00 52.24 H new ATOM 0 HB2 LEU A 76 7.078 -7.689 0.169 1.00 14.50 H new ATOM 0 HB3 LEU A 76 6.385 -9.085 -0.631 1.00 14.50 H new ATOM 0 HG LEU A 76 4.947 -6.467 -0.043 1.00 1.23 H new ATOM 0 HD11 LEU A 76 4.931 -6.151 -2.495 1.00 61.14 H new ATOM 0 HD12 LEU A 76 6.584 -6.213 -1.837 1.00 61.14 H new ATOM 0 HD13 LEU A 76 5.910 -7.625 -2.685 1.00 61.14 H new ATOM 0 HD21 LEU A 76 3.077 -7.396 -1.388 1.00 65.42 H new ATOM 0 HD22 LEU A 76 3.938 -8.950 -1.495 1.00 65.42 H new ATOM 0 HD23 LEU A 76 3.377 -8.350 0.084 1.00 65.42 H new ATOM 1070 N LYS A 77 6.648 -11.056 1.830 1.00 12.23 N ATOM 1071 CA LYS A 77 7.676 -12.065 2.184 1.00 54.53 C ATOM 1072 C LYS A 77 8.371 -12.582 0.913 1.00 53.41 C ATOM 1073 O LYS A 77 7.957 -12.268 -0.203 1.00 61.41 O ATOM 1074 CB LYS A 77 7.034 -13.253 2.962 1.00 4.13 C ATOM 1075 CG LYS A 77 5.877 -13.935 2.204 1.00 10.11 C ATOM 1076 CD LYS A 77 5.208 -15.100 2.970 1.00 74.32 C ATOM 1077 CE LYS A 77 6.092 -16.354 3.075 1.00 73.32 C ATOM 1078 NZ LYS A 77 5.355 -17.482 3.712 1.00 53.33 N ATOM 0 H LYS A 77 5.775 -11.463 1.493 1.00 12.23 H new ATOM 0 HA LYS A 77 8.418 -11.590 2.826 1.00 54.53 H new ATOM 0 HB2 LYS A 77 7.804 -13.994 3.176 1.00 4.13 H new ATOM 0 HB3 LYS A 77 6.665 -12.891 3.921 1.00 4.13 H new ATOM 0 HG2 LYS A 77 5.119 -13.186 1.973 1.00 10.11 H new ATOM 0 HG3 LYS A 77 6.254 -14.311 1.253 1.00 10.11 H new ATOM 0 HD2 LYS A 77 4.949 -14.763 3.974 1.00 74.32 H new ATOM 0 HD3 LYS A 77 4.275 -15.364 2.472 1.00 74.32 H new ATOM 0 HE2 LYS A 77 6.427 -16.650 2.081 1.00 73.32 H new ATOM 0 HE3 LYS A 77 6.985 -16.125 3.657 1.00 73.32 H new ATOM 0 HZ1 LYS A 77 5.976 -18.314 3.769 1.00 53.33 H new ATOM 0 HZ2 LYS A 77 5.057 -17.206 4.669 1.00 53.33 H new ATOM 0 HZ3 LYS A 77 4.517 -17.715 3.142 1.00 53.33 H new ATOM 1092 N HIS A 78 9.440 -13.367 1.085 1.00 55.41 N ATOM 1093 CA HIS A 78 10.069 -14.102 -0.031 1.00 73.02 C ATOM 1094 C HIS A 78 9.390 -15.476 -0.194 1.00 12.21 C ATOM 1095 O HIS A 78 8.955 -16.081 0.797 1.00 13.15 O ATOM 1096 CB HIS A 78 11.582 -14.270 0.218 1.00 11.13 C ATOM 1097 CG HIS A 78 12.346 -12.971 0.299 1.00 61.43 C ATOM 1098 ND1 HIS A 78 13.490 -12.819 1.054 1.00 53.43 N ATOM 1099 CD2 HIS A 78 12.148 -11.770 -0.306 1.00 51.44 C ATOM 1100 CE1 HIS A 78 13.958 -11.601 0.911 1.00 24.21 C ATOM 1101 NE2 HIS A 78 13.169 -10.948 0.092 1.00 72.13 N ATOM 0 H HIS A 78 9.893 -13.514 1.987 1.00 55.41 H new ATOM 0 HA HIS A 78 9.939 -13.532 -0.951 1.00 73.02 H new ATOM 0 HB2 HIS A 78 11.726 -14.821 1.147 1.00 11.13 H new ATOM 0 HB3 HIS A 78 12.005 -14.877 -0.582 1.00 11.13 H new ATOM 0 HD2 HIS A 78 11.339 -11.513 -0.974 1.00 51.44 H new ATOM 0 HE1 HIS A 78 14.843 -11.204 1.387 1.00 24.21 H new ATOM 0 HE2 HIS A 78 13.296 -9.980 -0.203 1.00 72.13 H new ATOM 1110 N GLY A 79 9.285 -15.949 -1.444 1.00 24.34 N ATOM 1111 CA GLY A 79 8.707 -17.268 -1.728 1.00 30.32 C ATOM 1112 C GLY A 79 9.663 -18.437 -1.464 1.00 74.02 C ATOM 1113 O GLY A 79 10.849 -18.239 -1.170 1.00 10.02 O ATOM 0 H GLY A 79 9.592 -15.438 -2.272 1.00 24.34 H new ATOM 0 HA2 GLY A 79 7.812 -17.400 -1.120 1.00 30.32 H new ATOM 0 HA3 GLY A 79 8.392 -17.298 -2.771 1.00 30.32 H new ATOM 1117 N LEU A 80 9.143 -19.676 -1.605 1.00 1.10 N ATOM 1118 CA LEU A 80 9.953 -20.928 -1.539 1.00 51.14 C ATOM 1119 C LEU A 80 10.606 -21.239 -2.923 1.00 4.03 C ATOM 1120 O LEU A 80 10.808 -22.404 -3.290 1.00 0.14 O ATOM 1121 CB LEU A 80 9.067 -22.122 -1.049 1.00 12.34 C ATOM 1122 CG LEU A 80 8.663 -22.137 0.473 1.00 34.33 C ATOM 1123 CD1 LEU A 80 7.738 -20.959 0.858 1.00 60.10 C ATOM 1124 CD2 LEU A 80 8.023 -23.493 0.861 1.00 0.00 C ATOM 0 H LEU A 80 8.150 -19.844 -1.768 1.00 1.10 H new ATOM 0 HA LEU A 80 10.758 -20.784 -0.819 1.00 51.14 H new ATOM 0 HB2 LEU A 80 8.152 -22.130 -1.642 1.00 12.34 H new ATOM 0 HB3 LEU A 80 9.597 -23.049 -1.268 1.00 12.34 H new ATOM 0 HG LEU A 80 9.584 -22.010 1.043 1.00 34.33 H new ATOM 0 HD11 LEU A 80 7.492 -21.021 1.918 1.00 60.10 H new ATOM 0 HD12 LEU A 80 8.247 -20.016 0.658 1.00 60.10 H new ATOM 0 HD13 LEU A 80 6.822 -21.009 0.270 1.00 60.10 H new ATOM 0 HD21 LEU A 80 7.753 -23.479 1.917 1.00 0.00 H new ATOM 0 HD22 LEU A 80 7.129 -23.659 0.260 1.00 0.00 H new ATOM 0 HD23 LEU A 80 8.736 -24.297 0.680 1.00 0.00 H new