USER MOD reduce.3.24.130724 H: found=0, std=0, add=716, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 714 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 46 SER OG : rot 80:sc= 1.24 USER MOD Set 1.2: A 65 ASN : amide:sc= 0.779 K(o=2.1,f=-5.2!) USER MOD Set 1.3: A 68 ASN : amide:sc= 0.111 K(o=2.1,f=-1.4) USER MOD Set 2.1: A 49 HIS : no HE2:sc= -6.56! C(o=-6.4!,f=-7.8!) USER MOD Set 2.2: A 70 THR OG1 : rot 89:sc= 0.141 USER MOD Single : A 7 THR OG1 : rot 32:sc= 0.163 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.406! C(o=-0.41!,f=-5.4!) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -1.61 K(o=-1.6,f=-2.4!) USER MOD Single : A 34 GLN : amide:sc= 1.38 K(o=1.4,f=-5.3!) USER MOD Single : A 37 GLN : amide:sc= -1.75! C(o=-1.8!,f=-6.5!) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -0.249 K(o=-0.25,f=-0.96) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.0836 USER MOD Single : A 73 ASN : amide:sc= 1.28 K(o=1.3,f=-10!) USER MOD Single : A 74 ASN : amide:sc= -0.0937 X(o=-0.094,f=-0.47) USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 92 HIS : no HE2:sc= 1.19 K(o=1.2,f=-3.8!) USER MOD Single : A 93 SER OG : rot 140:sc= -0.131 USER MOD Single : A 99 MET CE :methyl 131:sc= -0.191 (180deg=-0.716) USER MOD Single : A 100 HIS : no HD1:sc=-0.00155 X(o=-0.0016,f=-0.002) USER MOD ----------------------------------------------------------------- ATOM 62 N THR A 7 -4.280 -8.811 1.534 1.00 60.10 N ATOM 63 CA THR A 7 -3.876 -7.713 2.374 1.00 1.31 C ATOM 64 C THR A 7 -4.231 -6.385 1.689 1.00 41.31 C ATOM 65 O THR A 7 -3.755 -6.084 0.590 1.00 5.34 O ATOM 66 CB THR A 7 -2.364 -7.790 2.645 1.00 3.15 C ATOM 67 OG1 THR A 7 -2.052 -9.083 3.202 1.00 30.11 O ATOM 68 CG2 THR A 7 -1.926 -6.702 3.615 1.00 73.31 C ATOM 0 HA THR A 7 -4.402 -7.771 3.327 1.00 1.31 H new ATOM 0 HB THR A 7 -1.833 -7.644 1.705 1.00 3.15 H new ATOM 0 HG1 THR A 7 -2.666 -9.754 2.836 1.00 30.11 H new ATOM 0 HG21 THR A 7 -0.853 -6.780 3.789 1.00 73.31 H new ATOM 0 HG22 THR A 7 -2.155 -5.724 3.192 1.00 73.31 H new ATOM 0 HG23 THR A 7 -2.456 -6.822 4.560 1.00 73.31 H new ATOM 76 N SER A 8 -5.105 -5.643 2.300 1.00 75.33 N ATOM 77 CA SER A 8 -5.548 -4.408 1.730 1.00 41.01 C ATOM 78 C SER A 8 -4.983 -3.249 2.520 1.00 45.44 C ATOM 79 O SER A 8 -5.263 -3.106 3.704 1.00 75.34 O ATOM 80 CB SER A 8 -7.068 -4.370 1.730 1.00 42.14 C ATOM 81 OG SER A 8 -7.587 -5.569 1.167 1.00 72.45 O ATOM 0 H SER A 8 -5.527 -5.874 3.199 1.00 75.33 H new ATOM 0 HA SER A 8 -5.195 -4.328 0.702 1.00 41.01 H new ATOM 0 HB2 SER A 8 -7.436 -4.248 2.749 1.00 42.14 H new ATOM 0 HB3 SER A 8 -7.418 -3.510 1.159 1.00 42.14 H new ATOM 0 HG SER A 8 -8.566 -5.536 1.173 1.00 72.45 H new ATOM 87 N VAL A 9 -4.155 -2.467 1.895 1.00 72.41 N ATOM 88 CA VAL A 9 -3.609 -1.321 2.555 1.00 15.52 C ATOM 89 C VAL A 9 -4.404 -0.113 2.115 1.00 63.32 C ATOM 90 O VAL A 9 -4.331 0.307 0.954 1.00 53.52 O ATOM 91 CB VAL A 9 -2.109 -1.118 2.256 1.00 54.33 C ATOM 92 CG1 VAL A 9 -1.545 -0.003 3.122 1.00 31.44 C ATOM 93 CG2 VAL A 9 -1.331 -2.410 2.468 1.00 40.13 C ATOM 0 H VAL A 9 -3.844 -2.601 0.933 1.00 72.41 H new ATOM 0 HA VAL A 9 -3.683 -1.469 3.632 1.00 15.52 H new ATOM 0 HB VAL A 9 -2.004 -0.832 1.209 1.00 54.33 H new ATOM 0 HG11 VAL A 9 -0.486 0.129 2.901 1.00 31.44 H new ATOM 0 HG12 VAL A 9 -2.078 0.925 2.914 1.00 31.44 H new ATOM 0 HG13 VAL A 9 -1.666 -0.262 4.174 1.00 31.44 H new ATOM 0 HG21 VAL A 9 -0.277 -2.240 2.251 1.00 40.13 H new ATOM 0 HG22 VAL A 9 -1.440 -2.735 3.503 1.00 40.13 H new ATOM 0 HG23 VAL A 9 -1.719 -3.181 1.803 1.00 40.13 H new ATOM 103 N THR A 10 -5.152 0.418 3.019 1.00 72.53 N ATOM 104 CA THR A 10 -6.045 1.485 2.744 1.00 11.55 C ATOM 105 C THR A 10 -5.552 2.724 3.454 1.00 3.12 C ATOM 106 O THR A 10 -5.372 2.723 4.673 1.00 43.15 O ATOM 107 CB THR A 10 -7.469 1.129 3.231 1.00 4.20 C ATOM 108 OG1 THR A 10 -7.853 -0.160 2.704 1.00 4.25 O ATOM 109 CG2 THR A 10 -8.478 2.176 2.767 1.00 23.04 C ATOM 0 H THR A 10 -5.158 0.114 3.993 1.00 72.53 H new ATOM 0 HA THR A 10 -6.084 1.663 1.669 1.00 11.55 H new ATOM 0 HB THR A 10 -7.462 1.103 4.321 1.00 4.20 H new ATOM 0 HG1 THR A 10 -8.755 -0.385 3.015 1.00 4.25 H new ATOM 0 HG21 THR A 10 -9.473 1.905 3.121 1.00 23.04 H new ATOM 0 HG22 THR A 10 -8.202 3.151 3.170 1.00 23.04 H new ATOM 0 HG23 THR A 10 -8.481 2.221 1.678 1.00 23.04 H new ATOM 117 N LEU A 11 -5.287 3.742 2.710 1.00 62.32 N ATOM 118 CA LEU A 11 -4.828 4.961 3.278 1.00 63.12 C ATOM 119 C LEU A 11 -6.011 5.861 3.578 1.00 1.41 C ATOM 120 O LEU A 11 -6.969 5.909 2.802 1.00 51.44 O ATOM 121 CB LEU A 11 -3.775 5.636 2.349 1.00 61.14 C ATOM 122 CG LEU A 11 -4.191 6.103 0.932 1.00 2.53 C ATOM 123 CD1 LEU A 11 -4.924 7.447 0.956 1.00 1.33 C ATOM 124 CD2 LEU A 11 -2.982 6.181 0.021 1.00 21.01 C ATOM 0 H LEU A 11 -5.382 3.753 1.694 1.00 62.32 H new ATOM 0 HA LEU A 11 -4.322 4.761 4.223 1.00 63.12 H new ATOM 0 HB2 LEU A 11 -3.384 6.506 2.877 1.00 61.14 H new ATOM 0 HB3 LEU A 11 -2.948 4.936 2.232 1.00 61.14 H new ATOM 0 HG LEU A 11 -4.886 5.360 0.542 1.00 2.53 H new ATOM 0 HD11 LEU A 11 -5.195 7.732 -0.061 1.00 1.33 H new ATOM 0 HD12 LEU A 11 -5.826 7.358 1.561 1.00 1.33 H new ATOM 0 HD13 LEU A 11 -4.273 8.209 1.385 1.00 1.33 H new ATOM 0 HD21 LEU A 11 -3.294 6.511 -0.970 1.00 21.01 H new ATOM 0 HD22 LEU A 11 -2.263 6.891 0.430 1.00 21.01 H new ATOM 0 HD23 LEU A 11 -2.518 5.197 -0.053 1.00 21.01 H new ATOM 136 N GLN A 12 -5.987 6.489 4.718 1.00 64.50 N ATOM 137 CA GLN A 12 -6.978 7.456 5.072 1.00 51.44 C ATOM 138 C GLN A 12 -6.360 8.803 4.920 1.00 32.14 C ATOM 139 O GLN A 12 -5.309 9.065 5.487 1.00 45.03 O ATOM 140 CB GLN A 12 -7.427 7.300 6.496 1.00 23.52 C ATOM 141 CG GLN A 12 -8.043 5.975 6.838 1.00 32.04 C ATOM 142 CD GLN A 12 -8.473 5.912 8.301 1.00 15.22 C ATOM 143 OE1 GLN A 12 -8.454 4.849 8.935 1.00 10.13 O ATOM 144 NE2 GLN A 12 -8.899 7.022 8.832 1.00 42.10 N ATOM 0 H GLN A 12 -5.273 6.341 5.431 1.00 64.50 H new ATOM 0 HA GLN A 12 -7.848 7.323 4.428 1.00 51.44 H new ATOM 0 HB2 GLN A 12 -6.569 7.461 7.149 1.00 23.52 H new ATOM 0 HB3 GLN A 12 -8.149 8.085 6.719 1.00 23.52 H new ATOM 0 HG2 GLN A 12 -8.907 5.799 6.197 1.00 32.04 H new ATOM 0 HG3 GLN A 12 -7.328 5.178 6.634 1.00 32.04 H new ATOM 0 HE21 GLN A 12 -8.902 7.882 8.283 1.00 42.10 H new ATOM 0 HE22 GLN A 12 -9.230 7.032 9.797 1.00 42.10 H new ATOM 153 N LEU A 13 -6.994 9.637 4.203 1.00 52.31 N ATOM 154 CA LEU A 13 -6.439 10.915 3.873 1.00 20.41 C ATOM 155 C LEU A 13 -7.362 12.038 4.281 1.00 11.01 C ATOM 156 O LEU A 13 -8.580 11.984 4.016 1.00 30.32 O ATOM 157 CB LEU A 13 -6.212 10.987 2.364 1.00 61.10 C ATOM 158 CG LEU A 13 -5.752 12.335 1.840 1.00 43.14 C ATOM 159 CD1 LEU A 13 -4.323 12.639 2.257 1.00 25.53 C ATOM 160 CD2 LEU A 13 -5.950 12.455 0.344 1.00 54.11 C ATOM 0 H LEU A 13 -7.923 9.467 3.816 1.00 52.31 H new ATOM 0 HA LEU A 13 -5.498 11.027 4.412 1.00 20.41 H new ATOM 0 HB2 LEU A 13 -5.471 10.237 2.089 1.00 61.10 H new ATOM 0 HB3 LEU A 13 -7.140 10.718 1.860 1.00 61.10 H new ATOM 0 HG LEU A 13 -6.384 13.095 2.300 1.00 43.14 H new ATOM 0 HD11 LEU A 13 -4.028 13.612 1.864 1.00 25.53 H new ATOM 0 HD12 LEU A 13 -4.256 12.652 3.345 1.00 25.53 H new ATOM 0 HD13 LEU A 13 -3.658 11.871 1.862 1.00 25.53 H new ATOM 0 HD21 LEU A 13 -5.608 13.434 0.009 1.00 54.11 H new ATOM 0 HD22 LEU A 13 -5.377 11.678 -0.162 1.00 54.11 H new ATOM 0 HD23 LEU A 13 -7.007 12.339 0.106 1.00 54.11 H new ATOM 172 N ASP A 14 -6.805 13.074 4.892 1.00 42.43 N ATOM 173 CA ASP A 14 -7.597 14.235 5.184 1.00 54.34 C ATOM 174 C ASP A 14 -7.591 15.085 3.946 1.00 2.32 C ATOM 175 O ASP A 14 -6.606 15.741 3.598 1.00 22.41 O ATOM 176 CB ASP A 14 -7.108 15.030 6.404 1.00 64.50 C ATOM 177 CG ASP A 14 -8.019 16.221 6.708 1.00 31.53 C ATOM 178 OD1 ASP A 14 -9.084 16.032 7.343 1.00 24.20 O ATOM 179 OD2 ASP A 14 -7.684 17.362 6.310 1.00 73.03 O ATOM 0 H ASP A 14 -5.829 13.125 5.185 1.00 42.43 H new ATOM 0 HA ASP A 14 -8.605 13.918 5.453 1.00 54.34 H new ATOM 0 HB2 ASP A 14 -7.066 14.373 7.273 1.00 64.50 H new ATOM 0 HB3 ASP A 14 -6.093 15.385 6.224 1.00 64.50 H new ATOM 184 N ASP A 15 -8.651 14.970 3.241 1.00 1.54 N ATOM 185 CA ASP A 15 -8.854 15.638 1.974 1.00 34.02 C ATOM 186 C ASP A 15 -9.810 16.820 2.151 1.00 73.21 C ATOM 187 O ASP A 15 -10.135 17.547 1.219 1.00 71.32 O ATOM 188 CB ASP A 15 -9.423 14.579 1.022 1.00 24.11 C ATOM 189 CG ASP A 15 -9.936 15.078 -0.305 1.00 52.23 C ATOM 190 OD1 ASP A 15 -9.148 15.507 -1.137 1.00 4.25 O ATOM 191 OD2 ASP A 15 -11.168 14.993 -0.533 1.00 45.40 O ATOM 0 H ASP A 15 -9.442 14.391 3.524 1.00 1.54 H new ATOM 0 HA ASP A 15 -7.928 16.049 1.573 1.00 34.02 H new ATOM 0 HB2 ASP A 15 -8.647 13.838 0.832 1.00 24.11 H new ATOM 0 HB3 ASP A 15 -10.237 14.064 1.531 1.00 24.11 H new ATOM 196 N GLY A 16 -10.217 17.015 3.372 1.00 61.44 N ATOM 197 CA GLY A 16 -11.199 18.021 3.689 1.00 43.31 C ATOM 198 C GLY A 16 -12.365 17.358 4.343 1.00 3.43 C ATOM 199 O GLY A 16 -12.933 17.859 5.303 1.00 64.24 O ATOM 0 H GLY A 16 -9.881 16.485 4.176 1.00 61.44 H new ATOM 0 HA2 GLY A 16 -10.770 18.773 4.352 1.00 43.31 H new ATOM 0 HA3 GLY A 16 -11.517 18.538 2.784 1.00 43.31 H new ATOM 203 N SER A 17 -12.728 16.223 3.809 1.00 42.01 N ATOM 204 CA SER A 17 -13.725 15.403 4.404 1.00 32.21 C ATOM 205 C SER A 17 -13.036 14.133 4.890 1.00 43.24 C ATOM 206 O SER A 17 -12.914 13.897 6.088 1.00 51.42 O ATOM 207 CB SER A 17 -14.825 15.095 3.389 1.00 31.41 C ATOM 208 OG SER A 17 -15.305 16.304 2.786 1.00 21.32 O ATOM 0 H SER A 17 -12.334 15.848 2.946 1.00 42.01 H new ATOM 0 HA SER A 17 -14.202 15.907 5.245 1.00 32.21 H new ATOM 0 HB2 SER A 17 -14.441 14.426 2.619 1.00 31.41 H new ATOM 0 HB3 SER A 17 -15.647 14.576 3.881 1.00 31.41 H new ATOM 0 HG SER A 17 -16.008 16.089 2.137 1.00 21.32 H new ATOM 214 N GLY A 18 -12.504 13.374 3.953 1.00 32.33 N ATOM 215 CA GLY A 18 -11.803 12.176 4.288 1.00 32.44 C ATOM 216 C GLY A 18 -11.869 11.174 3.167 1.00 32.54 C ATOM 217 O GLY A 18 -12.937 10.630 2.875 1.00 53.10 O ATOM 0 H GLY A 18 -12.550 13.576 2.954 1.00 32.33 H new ATOM 0 HA2 GLY A 18 -10.762 12.411 4.508 1.00 32.44 H new ATOM 0 HA3 GLY A 18 -12.230 11.742 5.192 1.00 32.44 H new ATOM 221 N ARG A 19 -10.761 10.967 2.513 1.00 41.12 N ATOM 222 CA ARG A 19 -10.682 9.988 1.441 1.00 64.33 C ATOM 223 C ARG A 19 -10.038 8.753 1.957 1.00 35.02 C ATOM 224 O ARG A 19 -9.290 8.801 2.933 1.00 11.31 O ATOM 225 CB ARG A 19 -9.824 10.457 0.275 1.00 23.32 C ATOM 226 CG ARG A 19 -10.319 11.650 -0.490 1.00 64.45 C ATOM 227 CD ARG A 19 -11.633 11.406 -1.194 1.00 2.52 C ATOM 228 NE ARG A 19 -12.043 12.601 -1.943 1.00 55.24 N ATOM 229 CZ ARG A 19 -13.039 12.654 -2.823 1.00 63.04 C ATOM 230 NH1 ARG A 19 -13.872 11.615 -2.963 1.00 32.14 N ATOM 231 NH2 ARG A 19 -13.233 13.766 -3.528 1.00 73.20 N ATOM 0 H ARG A 19 -9.889 11.462 2.698 1.00 41.12 H new ATOM 0 HA ARG A 19 -11.703 9.825 1.096 1.00 64.33 H new ATOM 0 HB2 ARG A 19 -8.829 10.686 0.656 1.00 23.32 H new ATOM 0 HB3 ARG A 19 -9.715 9.627 -0.423 1.00 23.32 H new ATOM 0 HG2 ARG A 19 -10.432 12.490 0.195 1.00 64.45 H new ATOM 0 HG3 ARG A 19 -9.568 11.938 -1.226 1.00 64.45 H new ATOM 0 HD2 ARG A 19 -11.537 10.559 -1.873 1.00 2.52 H new ATOM 0 HD3 ARG A 19 -12.400 11.145 -0.465 1.00 2.52 H new ATOM 0 HE ARG A 19 -11.521 13.461 -1.774 1.00 55.24 H new ATOM 0 HH11 ARG A 19 -13.744 10.778 -2.394 1.00 32.14 H new ATOM 0 HH12 ARG A 19 -14.634 11.660 -3.639 1.00 32.14 H new ATOM 0 HH21 ARG A 19 -12.620 14.570 -3.392 1.00 73.20 H new ATOM 0 HH22 ARG A 19 -13.995 13.814 -4.205 1.00 73.20 H new ATOM 245 N THR A 20 -10.301 7.676 1.306 1.00 22.23 N ATOM 246 CA THR A 20 -9.677 6.435 1.589 1.00 12.41 C ATOM 247 C THR A 20 -9.331 5.777 0.256 1.00 11.03 C ATOM 248 O THR A 20 -10.152 5.769 -0.675 1.00 35.05 O ATOM 249 CB THR A 20 -10.562 5.528 2.482 1.00 71.00 C ATOM 250 OG1 THR A 20 -11.889 5.424 1.934 1.00 45.32 O ATOM 251 CG2 THR A 20 -10.648 6.081 3.894 1.00 32.25 C ATOM 0 H THR A 20 -10.975 7.634 0.541 1.00 22.23 H new ATOM 0 HA THR A 20 -8.767 6.598 2.166 1.00 12.41 H new ATOM 0 HB THR A 20 -10.103 4.540 2.513 1.00 71.00 H new ATOM 0 HG1 THR A 20 -12.435 4.847 2.508 1.00 45.32 H new ATOM 0 HG21 THR A 20 -11.274 5.429 4.503 1.00 32.25 H new ATOM 0 HG22 THR A 20 -9.649 6.132 4.326 1.00 32.25 H new ATOM 0 HG23 THR A 20 -11.083 7.080 3.868 1.00 32.25 H new ATOM 259 N TYR A 21 -8.129 5.296 0.136 1.00 43.44 N ATOM 260 CA TYR A 21 -7.636 4.765 -1.120 1.00 70.21 C ATOM 261 C TYR A 21 -6.848 3.500 -0.840 1.00 4.31 C ATOM 262 O TYR A 21 -5.981 3.494 0.039 1.00 0.42 O ATOM 263 CB TYR A 21 -6.733 5.849 -1.766 1.00 34.23 C ATOM 264 CG TYR A 21 -6.153 5.565 -3.147 1.00 60.02 C ATOM 265 CD1 TYR A 21 -5.000 4.797 -3.308 1.00 4.22 C ATOM 266 CD2 TYR A 21 -6.734 6.110 -4.285 1.00 41.54 C ATOM 267 CE1 TYR A 21 -4.457 4.575 -4.560 1.00 11.21 C ATOM 268 CE2 TYR A 21 -6.191 5.898 -5.539 1.00 45.45 C ATOM 269 CZ TYR A 21 -5.053 5.132 -5.671 1.00 70.34 C ATOM 270 OH TYR A 21 -4.506 4.919 -6.927 1.00 33.51 O ATOM 0 H TYR A 21 -7.455 5.256 0.901 1.00 43.44 H new ATOM 0 HA TYR A 21 -8.452 4.518 -1.800 1.00 70.21 H new ATOM 0 HB2 TYR A 21 -7.311 6.771 -1.829 1.00 34.23 H new ATOM 0 HB3 TYR A 21 -5.902 6.040 -1.087 1.00 34.23 H new ATOM 0 HD1 TYR A 21 -4.523 4.368 -2.439 1.00 4.22 H new ATOM 0 HD2 TYR A 21 -7.626 6.711 -4.189 1.00 41.54 H new ATOM 0 HE1 TYR A 21 -3.570 3.968 -4.667 1.00 11.21 H new ATOM 0 HE2 TYR A 21 -6.657 6.331 -6.412 1.00 45.45 H new ATOM 0 HH TYR A 21 -5.047 5.380 -7.602 1.00 33.51 H new ATOM 280 N GLN A 22 -7.158 2.439 -1.542 1.00 51.31 N ATOM 281 CA GLN A 22 -6.426 1.206 -1.384 1.00 70.13 C ATOM 282 C GLN A 22 -5.233 1.230 -2.309 1.00 42.12 C ATOM 283 O GLN A 22 -5.396 1.377 -3.540 1.00 53.31 O ATOM 284 CB GLN A 22 -7.306 -0.026 -1.654 1.00 21.21 C ATOM 285 CG GLN A 22 -6.550 -1.356 -1.536 1.00 64.12 C ATOM 286 CD GLN A 22 -7.439 -2.574 -1.699 1.00 72.33 C ATOM 287 OE1 GLN A 22 -8.616 -2.551 -1.355 1.00 33.40 O ATOM 288 NE2 GLN A 22 -6.889 -3.640 -2.229 1.00 21.45 N ATOM 0 H GLN A 22 -7.912 2.403 -2.228 1.00 51.31 H new ATOM 0 HA GLN A 22 -6.092 1.126 -0.349 1.00 70.13 H new ATOM 0 HB2 GLN A 22 -8.140 -0.028 -0.952 1.00 21.21 H new ATOM 0 HB3 GLN A 22 -7.731 0.053 -2.654 1.00 21.21 H new ATOM 0 HG2 GLN A 22 -5.764 -1.386 -2.291 1.00 64.12 H new ATOM 0 HG3 GLN A 22 -6.060 -1.401 -0.563 1.00 64.12 H new ATOM 0 HE21 GLN A 22 -5.907 -3.624 -2.504 1.00 21.45 H new ATOM 0 HE22 GLN A 22 -7.443 -4.485 -2.366 1.00 21.45 H new ATOM 297 N LEU A 23 -4.048 1.111 -1.718 1.00 44.54 N ATOM 298 CA LEU A 23 -2.784 1.138 -2.437 1.00 61.11 C ATOM 299 C LEU A 23 -2.782 0.169 -3.579 1.00 61.41 C ATOM 300 O LEU A 23 -3.278 -0.958 -3.459 1.00 34.13 O ATOM 301 CB LEU A 23 -1.608 0.830 -1.513 1.00 1.13 C ATOM 302 CG LEU A 23 -1.279 1.865 -0.444 1.00 60.34 C ATOM 303 CD1 LEU A 23 -0.070 1.418 0.340 1.00 70.42 C ATOM 304 CD2 LEU A 23 -1.023 3.230 -1.068 1.00 5.23 C ATOM 0 H LEU A 23 -3.940 0.991 -0.711 1.00 44.54 H new ATOM 0 HA LEU A 23 -2.670 2.148 -2.830 1.00 61.11 H new ATOM 0 HB2 LEU A 23 -1.807 -0.119 -1.016 1.00 1.13 H new ATOM 0 HB3 LEU A 23 -0.721 0.686 -2.130 1.00 1.13 H new ATOM 0 HG LEU A 23 -2.133 1.955 0.227 1.00 60.34 H new ATOM 0 HD11 LEU A 23 0.163 2.160 1.104 1.00 70.42 H new ATOM 0 HD12 LEU A 23 -0.279 0.460 0.816 1.00 70.42 H new ATOM 0 HD13 LEU A 23 0.781 1.310 -0.333 1.00 70.42 H new ATOM 0 HD21 LEU A 23 -0.790 3.951 -0.284 1.00 5.23 H new ATOM 0 HD22 LEU A 23 -0.183 3.162 -1.759 1.00 5.23 H new ATOM 0 HD23 LEU A 23 -1.912 3.556 -1.608 1.00 5.23 H new ATOM 316 N ARG A 24 -2.253 0.603 -4.681 1.00 14.05 N ATOM 317 CA ARG A 24 -2.236 -0.211 -5.853 1.00 72.03 C ATOM 318 C ARG A 24 -1.054 -1.098 -5.803 1.00 71.44 C ATOM 319 O ARG A 24 -0.005 -0.696 -5.293 1.00 52.21 O ATOM 320 CB ARG A 24 -2.172 0.620 -7.132 1.00 60.13 C ATOM 321 CG ARG A 24 -3.182 1.753 -7.215 1.00 50.34 C ATOM 322 CD ARG A 24 -4.565 1.311 -6.779 1.00 72.02 C ATOM 323 NE ARG A 24 -5.117 0.218 -7.568 1.00 3.20 N ATOM 324 CZ ARG A 24 -6.067 -0.610 -7.126 1.00 73.42 C ATOM 325 NH1 ARG A 24 -6.476 -0.533 -5.853 1.00 21.43 N ATOM 326 NH2 ARG A 24 -6.592 -1.521 -7.944 1.00 72.00 N ATOM 0 H ARG A 24 -1.825 1.522 -4.792 1.00 14.05 H new ATOM 0 HA ARG A 24 -3.162 -0.786 -5.872 1.00 72.03 H new ATOM 0 HB2 ARG A 24 -1.170 1.039 -7.225 1.00 60.13 H new ATOM 0 HB3 ARG A 24 -2.321 -0.042 -7.985 1.00 60.13 H new ATOM 0 HG2 ARG A 24 -2.851 2.581 -6.588 1.00 50.34 H new ATOM 0 HG3 ARG A 24 -3.226 2.126 -8.238 1.00 50.34 H new ATOM 0 HD2 ARG A 24 -4.524 1.005 -5.734 1.00 72.02 H new ATOM 0 HD3 ARG A 24 -5.242 2.164 -6.836 1.00 72.02 H new ATOM 0 HE ARG A 24 -4.757 0.077 -8.512 1.00 3.20 H new ATOM 0 HH11 ARG A 24 -6.062 0.156 -5.225 1.00 21.43 H new ATOM 0 HH12 ARG A 24 -7.201 -1.164 -5.511 1.00 21.43 H new ATOM 0 HH21 ARG A 24 -6.268 -1.587 -8.909 1.00 72.00 H new ATOM 0 HH22 ARG A 24 -7.318 -2.153 -7.605 1.00 72.00 H new ATOM 340 N GLU A 25 -1.213 -2.287 -6.302 1.00 3.12 N ATOM 341 CA GLU A 25 -0.109 -3.218 -6.342 1.00 24.22 C ATOM 342 C GLU A 25 0.899 -2.780 -7.385 1.00 52.41 C ATOM 343 O GLU A 25 0.612 -2.709 -8.589 1.00 33.50 O ATOM 344 CB GLU A 25 -0.553 -4.684 -6.465 1.00 31.44 C ATOM 345 CG GLU A 25 -1.520 -4.987 -7.586 1.00 51.21 C ATOM 346 CD GLU A 25 -1.955 -6.426 -7.569 1.00 71.31 C ATOM 347 OE1 GLU A 25 -2.732 -6.817 -6.677 1.00 3.52 O ATOM 348 OE2 GLU A 25 -1.505 -7.201 -8.439 1.00 71.40 O ATOM 0 H GLU A 25 -2.089 -2.641 -6.687 1.00 3.12 H new ATOM 0 HA GLU A 25 0.396 -3.191 -5.377 1.00 24.22 H new ATOM 0 HB2 GLU A 25 0.334 -5.303 -6.599 1.00 31.44 H new ATOM 0 HB3 GLU A 25 -1.012 -4.985 -5.523 1.00 31.44 H new ATOM 0 HG2 GLU A 25 -2.394 -4.341 -7.498 1.00 51.21 H new ATOM 0 HG3 GLU A 25 -1.051 -4.760 -8.543 1.00 51.21 H new ATOM 355 N GLY A 26 2.030 -2.419 -6.893 1.00 2.11 N ATOM 356 CA GLY A 26 3.059 -1.815 -7.652 1.00 74.32 C ATOM 357 C GLY A 26 3.527 -0.626 -6.868 1.00 2.05 C ATOM 358 O GLY A 26 3.183 -0.501 -5.684 1.00 64.54 O ATOM 0 H GLY A 26 2.271 -2.543 -5.910 1.00 2.11 H new ATOM 0 HA2 GLY A 26 3.878 -2.515 -7.821 1.00 74.32 H new ATOM 0 HA3 GLY A 26 2.691 -1.512 -8.632 1.00 74.32 H new ATOM 362 N SER A 27 4.283 0.235 -7.439 1.00 12.35 N ATOM 363 CA SER A 27 4.681 1.383 -6.706 1.00 24.35 C ATOM 364 C SER A 27 3.949 2.620 -7.186 1.00 31.10 C ATOM 365 O SER A 27 3.892 2.908 -8.385 1.00 3.22 O ATOM 366 CB SER A 27 6.199 1.545 -6.683 1.00 14.44 C ATOM 367 OG SER A 27 6.750 1.583 -7.996 1.00 52.50 O ATOM 0 H SER A 27 4.635 0.173 -8.394 1.00 12.35 H new ATOM 0 HA SER A 27 4.388 1.239 -5.666 1.00 24.35 H new ATOM 0 HB2 SER A 27 6.458 2.462 -6.154 1.00 14.44 H new ATOM 0 HB3 SER A 27 6.644 0.720 -6.127 1.00 14.44 H new ATOM 0 HG SER A 27 7.723 1.689 -7.940 1.00 52.50 H new ATOM 373 N ASN A 28 3.357 3.310 -6.262 1.00 63.34 N ATOM 374 CA ASN A 28 2.619 4.502 -6.550 1.00 13.34 C ATOM 375 C ASN A 28 3.455 5.692 -6.188 1.00 20.44 C ATOM 376 O ASN A 28 3.816 5.894 -5.032 1.00 53.02 O ATOM 377 CB ASN A 28 1.228 4.521 -5.857 1.00 11.41 C ATOM 378 CG ASN A 28 1.251 4.247 -4.359 1.00 61.40 C ATOM 379 OD1 ASN A 28 1.373 5.148 -3.545 1.00 4.45 O ATOM 380 ND2 ASN A 28 1.114 2.987 -3.990 1.00 64.12 N ATOM 0 H ASN A 28 3.372 3.059 -5.273 1.00 63.34 H new ATOM 0 HA ASN A 28 2.404 4.534 -7.618 1.00 13.34 H new ATOM 0 HB2 ASN A 28 0.768 5.495 -6.026 1.00 11.41 H new ATOM 0 HB3 ASN A 28 0.590 3.779 -6.337 1.00 11.41 H new ATOM 0 HD21 ASN A 28 1.108 2.743 -3.000 1.00 64.12 H new ATOM 0 HD22 ASN A 28 1.014 2.257 -4.695 1.00 64.12 H new ATOM 387 N ILE A 29 3.846 6.421 -7.191 1.00 51.03 N ATOM 388 CA ILE A 29 4.670 7.577 -6.997 1.00 73.23 C ATOM 389 C ILE A 29 3.793 8.782 -6.730 1.00 2.04 C ATOM 390 O ILE A 29 2.934 9.134 -7.550 1.00 44.12 O ATOM 391 CB ILE A 29 5.587 7.834 -8.218 1.00 40.51 C ATOM 392 CG1 ILE A 29 6.445 6.587 -8.500 1.00 35.02 C ATOM 393 CG2 ILE A 29 6.482 9.053 -7.968 1.00 72.42 C ATOM 394 CD1 ILE A 29 7.329 6.696 -9.725 1.00 11.33 C ATOM 0 H ILE A 29 3.604 6.232 -8.164 1.00 51.03 H new ATOM 0 HA ILE A 29 5.316 7.399 -6.138 1.00 73.23 H new ATOM 0 HB ILE A 29 4.965 8.039 -9.089 1.00 40.51 H new ATOM 0 HG12 ILE A 29 7.073 6.390 -7.631 1.00 35.02 H new ATOM 0 HG13 ILE A 29 5.786 5.727 -8.619 1.00 35.02 H new ATOM 0 HG21 ILE A 29 7.120 9.220 -8.836 1.00 72.42 H new ATOM 0 HG22 ILE A 29 5.860 9.933 -7.800 1.00 72.42 H new ATOM 0 HG23 ILE A 29 7.103 8.875 -7.090 1.00 72.42 H new ATOM 0 HD11 ILE A 29 7.897 5.774 -9.847 1.00 11.33 H new ATOM 0 HD12 ILE A 29 6.710 6.860 -10.607 1.00 11.33 H new ATOM 0 HD13 ILE A 29 8.017 7.533 -9.604 1.00 11.33 H new ATOM 406 N ILE A 30 3.998 9.375 -5.593 1.00 30.12 N ATOM 407 CA ILE A 30 3.264 10.518 -5.148 1.00 34.11 C ATOM 408 C ILE A 30 4.094 11.776 -5.397 1.00 44.22 C ATOM 409 O ILE A 30 5.300 11.826 -5.078 1.00 13.11 O ATOM 410 CB ILE A 30 2.919 10.391 -3.628 1.00 43.24 C ATOM 411 CG1 ILE A 30 2.075 9.125 -3.368 1.00 14.33 C ATOM 412 CG2 ILE A 30 2.229 11.645 -3.103 1.00 64.05 C ATOM 413 CD1 ILE A 30 1.732 8.886 -1.910 1.00 24.33 C ATOM 0 H ILE A 30 4.706 9.065 -4.927 1.00 30.12 H new ATOM 0 HA ILE A 30 2.329 10.582 -5.704 1.00 34.11 H new ATOM 0 HB ILE A 30 3.854 10.291 -3.077 1.00 43.24 H new ATOM 0 HG12 ILE A 30 1.149 9.197 -3.939 1.00 14.33 H new ATOM 0 HG13 ILE A 30 2.616 8.258 -3.747 1.00 14.33 H new ATOM 0 HG21 ILE A 30 2.004 11.520 -2.044 1.00 64.05 H new ATOM 0 HG22 ILE A 30 2.886 12.505 -3.236 1.00 64.05 H new ATOM 0 HG23 ILE A 30 1.302 11.808 -3.654 1.00 64.05 H new ATOM 0 HD11 ILE A 30 1.138 7.976 -1.820 1.00 24.33 H new ATOM 0 HD12 ILE A 30 2.651 8.778 -1.333 1.00 24.33 H new ATOM 0 HD13 ILE A 30 1.160 9.732 -1.527 1.00 24.33 H new ATOM 425 N GLY A 31 3.479 12.748 -6.001 1.00 13.24 N ATOM 426 CA GLY A 31 4.121 13.998 -6.264 1.00 64.42 C ATOM 427 C GLY A 31 3.440 14.683 -7.388 1.00 73.03 C ATOM 428 O GLY A 31 2.292 14.369 -7.676 1.00 30.42 O ATOM 0 H GLY A 31 2.514 12.695 -6.326 1.00 13.24 H new ATOM 0 HA2 GLY A 31 4.095 14.626 -5.373 1.00 64.42 H new ATOM 0 HA3 GLY A 31 5.171 13.834 -6.508 1.00 64.42 H new ATOM 432 N ARG A 32 4.087 15.629 -8.003 1.00 34.45 N ATOM 433 CA ARG A 32 3.529 16.239 -9.188 1.00 72.44 C ATOM 434 C ARG A 32 4.603 16.218 -10.243 1.00 21.11 C ATOM 435 O ARG A 32 5.551 17.001 -10.180 1.00 53.11 O ATOM 436 CB ARG A 32 3.120 17.688 -8.911 1.00 11.14 C ATOM 437 CG ARG A 32 2.187 17.864 -7.731 1.00 2.52 C ATOM 438 CD ARG A 32 1.830 19.325 -7.530 1.00 61.34 C ATOM 439 NE ARG A 32 1.106 19.894 -8.674 1.00 14.30 N ATOM 440 CZ ARG A 32 1.243 21.152 -9.119 1.00 3.23 C ATOM 441 NH1 ARG A 32 2.163 21.961 -8.581 1.00 74.43 N ATOM 442 NH2 ARG A 32 0.476 21.594 -10.108 1.00 32.22 N ATOM 0 H ARG A 32 4.993 15.997 -7.713 1.00 34.45 H new ATOM 0 HA ARG A 32 2.641 15.694 -9.509 1.00 72.44 H new ATOM 0 HB2 ARG A 32 4.019 18.279 -8.738 1.00 11.14 H new ATOM 0 HB3 ARG A 32 2.639 18.093 -9.801 1.00 11.14 H new ATOM 0 HG2 ARG A 32 1.279 17.283 -7.892 1.00 2.52 H new ATOM 0 HG3 ARG A 32 2.659 17.474 -6.829 1.00 2.52 H new ATOM 0 HD2 ARG A 32 1.220 19.425 -6.633 1.00 61.34 H new ATOM 0 HD3 ARG A 32 2.742 19.898 -7.361 1.00 61.34 H new ATOM 0 HE ARG A 32 0.450 19.288 -9.167 1.00 14.30 H new ATOM 0 HH11 ARG A 32 2.764 21.622 -7.830 1.00 74.43 H new ATOM 0 HH12 ARG A 32 2.264 22.917 -8.922 1.00 74.43 H new ATOM 0 HH21 ARG A 32 -0.218 20.977 -10.530 1.00 32.22 H new ATOM 0 HH22 ARG A 32 0.581 22.551 -10.446 1.00 32.22 H new ATOM 456 N GLY A 33 4.463 15.338 -11.195 1.00 54.25 N ATOM 457 CA GLY A 33 5.456 15.188 -12.206 1.00 64.22 C ATOM 458 C GLY A 33 5.126 14.058 -13.144 1.00 14.53 C ATOM 459 O GLY A 33 4.099 13.392 -12.983 1.00 22.21 O ATOM 0 H GLY A 33 3.663 14.713 -11.287 1.00 54.25 H new ATOM 0 HA2 GLY A 33 5.544 16.116 -12.771 1.00 64.22 H new ATOM 0 HA3 GLY A 33 6.425 15.004 -11.741 1.00 64.22 H new ATOM 463 N GLN A 34 6.032 13.802 -14.061 1.00 33.54 N ATOM 464 CA GLN A 34 5.891 12.793 -15.117 1.00 32.01 C ATOM 465 C GLN A 34 5.777 11.349 -14.569 1.00 75.12 C ATOM 466 O GLN A 34 5.135 10.494 -15.173 1.00 13.22 O ATOM 467 CB GLN A 34 7.073 12.898 -16.119 1.00 75.32 C ATOM 468 CG GLN A 34 8.448 12.413 -15.601 1.00 21.51 C ATOM 469 CD GLN A 34 9.010 13.190 -14.415 1.00 21.43 C ATOM 470 OE1 GLN A 34 8.772 14.385 -14.259 1.00 51.32 O ATOM 471 NE2 GLN A 34 9.709 12.510 -13.550 1.00 12.15 N ATOM 0 H GLN A 34 6.921 14.300 -14.104 1.00 33.54 H new ATOM 0 HA GLN A 34 4.953 13.005 -15.630 1.00 32.01 H new ATOM 0 HB2 GLN A 34 6.820 12.324 -17.010 1.00 75.32 H new ATOM 0 HB3 GLN A 34 7.170 13.939 -16.428 1.00 75.32 H new ATOM 0 HG2 GLN A 34 8.362 11.364 -15.319 1.00 21.51 H new ATOM 0 HG3 GLN A 34 9.165 12.465 -16.420 1.00 21.51 H new ATOM 0 HE21 GLN A 34 9.890 11.519 -13.707 1.00 12.15 H new ATOM 0 HE22 GLN A 34 10.075 12.969 -12.716 1.00 12.15 H new ATOM 480 N ASP A 35 6.393 11.096 -13.433 1.00 43.34 N ATOM 481 CA ASP A 35 6.392 9.753 -12.838 1.00 13.12 C ATOM 482 C ASP A 35 5.313 9.607 -11.792 1.00 54.55 C ATOM 483 O ASP A 35 5.063 8.520 -11.300 1.00 10.00 O ATOM 484 CB ASP A 35 7.761 9.407 -12.213 1.00 3.54 C ATOM 485 CG ASP A 35 8.808 8.948 -13.210 1.00 41.33 C ATOM 486 OD1 ASP A 35 9.459 9.793 -13.868 1.00 75.33 O ATOM 487 OD2 ASP A 35 9.033 7.726 -13.334 1.00 62.32 O ATOM 0 H ASP A 35 6.904 11.795 -12.894 1.00 43.34 H new ATOM 0 HA ASP A 35 6.189 9.056 -13.651 1.00 13.12 H new ATOM 0 HB2 ASP A 35 8.138 10.284 -11.687 1.00 3.54 H new ATOM 0 HB3 ASP A 35 7.619 8.624 -11.468 1.00 3.54 H new ATOM 492 N ALA A 36 4.652 10.692 -11.479 1.00 63.03 N ATOM 493 CA ALA A 36 3.671 10.699 -10.417 1.00 74.34 C ATOM 494 C ALA A 36 2.349 10.097 -10.860 1.00 51.44 C ATOM 495 O ALA A 36 1.676 10.629 -11.749 1.00 71.43 O ATOM 496 CB ALA A 36 3.471 12.105 -9.894 1.00 33.20 C ATOM 0 H ALA A 36 4.775 11.590 -11.947 1.00 63.03 H new ATOM 0 HA ALA A 36 4.055 10.074 -9.611 1.00 74.34 H new ATOM 0 HB1 ALA A 36 2.730 12.094 -9.095 1.00 33.20 H new ATOM 0 HB2 ALA A 36 4.416 12.487 -9.507 1.00 33.20 H new ATOM 0 HB3 ALA A 36 3.123 12.748 -10.703 1.00 33.20 H new ATOM 502 N GLN A 37 2.001 8.986 -10.250 1.00 10.20 N ATOM 503 CA GLN A 37 0.755 8.308 -10.506 1.00 32.02 C ATOM 504 C GLN A 37 -0.310 8.845 -9.577 1.00 72.23 C ATOM 505 O GLN A 37 -1.505 8.861 -9.903 1.00 54.14 O ATOM 506 CB GLN A 37 0.920 6.806 -10.335 1.00 52.53 C ATOM 507 CG GLN A 37 1.832 6.148 -11.367 1.00 60.23 C ATOM 508 CD GLN A 37 1.304 6.239 -12.801 1.00 63.14 C ATOM 509 OE1 GLN A 37 0.619 7.202 -13.194 1.00 70.34 O ATOM 510 NE2 GLN A 37 1.600 5.241 -13.588 1.00 23.11 N ATOM 0 H GLN A 37 2.585 8.524 -9.553 1.00 10.20 H new ATOM 0 HA GLN A 37 0.449 8.493 -11.536 1.00 32.02 H new ATOM 0 HB2 GLN A 37 1.317 6.608 -9.339 1.00 52.53 H new ATOM 0 HB3 GLN A 37 -0.063 6.337 -10.386 1.00 52.53 H new ATOM 0 HG2 GLN A 37 2.815 6.616 -11.321 1.00 60.23 H new ATOM 0 HG3 GLN A 37 1.966 5.099 -11.104 1.00 60.23 H new ATOM 0 HE21 GLN A 37 2.163 4.466 -13.239 1.00 23.11 H new ATOM 0 HE22 GLN A 37 1.268 5.236 -14.553 1.00 23.11 H new ATOM 519 N PHE A 38 0.123 9.280 -8.427 1.00 40.20 N ATOM 520 CA PHE A 38 -0.732 9.940 -7.501 1.00 5.40 C ATOM 521 C PHE A 38 -0.219 11.347 -7.384 1.00 3.34 C ATOM 522 O PHE A 38 0.866 11.600 -6.847 1.00 52.22 O ATOM 523 CB PHE A 38 -0.764 9.235 -6.149 1.00 3.34 C ATOM 524 CG PHE A 38 -1.695 9.875 -5.147 1.00 75.23 C ATOM 525 CD1 PHE A 38 -3.068 9.737 -5.262 1.00 20.34 C ATOM 526 CD2 PHE A 38 -1.192 10.605 -4.092 1.00 23.21 C ATOM 527 CE1 PHE A 38 -3.915 10.319 -4.335 1.00 23.41 C ATOM 528 CE2 PHE A 38 -2.016 11.185 -3.169 1.00 74.32 C ATOM 529 CZ PHE A 38 -3.385 11.045 -3.283 1.00 60.45 C ATOM 0 H PHE A 38 1.088 9.182 -8.110 1.00 40.20 H new ATOM 0 HA PHE A 38 -1.764 9.928 -7.852 1.00 5.40 H new ATOM 0 HB2 PHE A 38 -1.064 8.198 -6.298 1.00 3.34 H new ATOM 0 HB3 PHE A 38 0.244 9.219 -5.735 1.00 3.34 H new ATOM 0 HD1 PHE A 38 -3.482 9.170 -6.083 1.00 20.34 H new ATOM 0 HD2 PHE A 38 -0.123 10.721 -3.992 1.00 23.21 H new ATOM 0 HE1 PHE A 38 -4.985 10.207 -4.432 1.00 23.41 H new ATOM 0 HE2 PHE A 38 -1.597 11.752 -2.351 1.00 74.32 H new ATOM 0 HZ PHE A 38 -4.039 11.500 -2.554 1.00 60.45 H new ATOM 539 N ARG A 39 -0.961 12.239 -7.918 1.00 10.25 N ATOM 540 CA ARG A 39 -0.549 13.598 -8.027 1.00 23.54 C ATOM 541 C ARG A 39 -1.160 14.422 -6.922 1.00 64.01 C ATOM 542 O ARG A 39 -2.381 14.473 -6.779 1.00 24.20 O ATOM 543 CB ARG A 39 -0.921 14.128 -9.411 1.00 72.13 C ATOM 544 CG ARG A 39 -0.295 13.310 -10.535 1.00 74.33 C ATOM 545 CD ARG A 39 -0.812 13.713 -11.900 1.00 63.43 C ATOM 546 NE ARG A 39 -0.279 12.837 -12.963 1.00 23.35 N ATOM 547 CZ ARG A 39 -1.015 12.217 -13.906 1.00 33.43 C ATOM 548 NH1 ARG A 39 -2.339 12.313 -13.907 1.00 31.32 N ATOM 549 NH2 ARG A 39 -0.423 11.486 -14.835 1.00 0.22 N ATOM 0 H ARG A 39 -1.888 12.051 -8.300 1.00 10.25 H new ATOM 0 HA ARG A 39 0.533 13.668 -7.916 1.00 23.54 H new ATOM 0 HB2 ARG A 39 -2.005 14.120 -9.520 1.00 72.13 H new ATOM 0 HB3 ARG A 39 -0.599 15.166 -9.498 1.00 72.13 H new ATOM 0 HG2 ARG A 39 0.788 13.432 -10.509 1.00 74.33 H new ATOM 0 HG3 ARG A 39 -0.501 12.253 -10.369 1.00 74.33 H new ATOM 0 HD2 ARG A 39 -1.901 13.670 -11.904 1.00 63.43 H new ATOM 0 HD3 ARG A 39 -0.533 14.746 -12.105 1.00 63.43 H new ATOM 0 HE ARG A 39 0.730 12.689 -12.985 1.00 23.35 H new ATOM 0 HH11 ARG A 39 -2.811 12.861 -13.188 1.00 31.32 H new ATOM 0 HH12 ARG A 39 -2.884 11.839 -14.627 1.00 31.32 H new ATOM 0 HH21 ARG A 39 0.593 11.391 -14.839 1.00 0.22 H new ATOM 0 HH22 ARG A 39 -0.982 11.017 -15.548 1.00 0.22 H new ATOM 563 N LEU A 40 -0.309 15.032 -6.121 1.00 52.42 N ATOM 564 CA LEU A 40 -0.767 15.858 -5.022 1.00 34.44 C ATOM 565 C LEU A 40 -1.334 17.162 -5.538 1.00 15.10 C ATOM 566 O LEU A 40 -0.784 17.755 -6.451 1.00 53.40 O ATOM 567 CB LEU A 40 0.338 16.119 -3.988 1.00 13.34 C ATOM 568 CG LEU A 40 0.775 14.922 -3.140 1.00 0.41 C ATOM 569 CD1 LEU A 40 1.844 15.340 -2.151 1.00 70.34 C ATOM 570 CD2 LEU A 40 -0.412 14.324 -2.396 1.00 14.23 C ATOM 0 H LEU A 40 0.705 14.971 -6.211 1.00 52.42 H new ATOM 0 HA LEU A 40 -1.557 15.306 -4.513 1.00 34.44 H new ATOM 0 HB2 LEU A 40 1.213 16.503 -4.513 1.00 13.34 H new ATOM 0 HB3 LEU A 40 -0.002 16.907 -3.316 1.00 13.34 H new ATOM 0 HG LEU A 40 1.184 14.164 -3.809 1.00 0.41 H new ATOM 0 HD11 LEU A 40 2.145 14.479 -1.555 1.00 70.34 H new ATOM 0 HD12 LEU A 40 2.708 15.727 -2.691 1.00 70.34 H new ATOM 0 HD13 LEU A 40 1.449 16.115 -1.495 1.00 70.34 H new ATOM 0 HD21 LEU A 40 -0.078 13.475 -1.800 1.00 14.23 H new ATOM 0 HD22 LEU A 40 -0.848 15.078 -1.741 1.00 14.23 H new ATOM 0 HD23 LEU A 40 -1.161 13.991 -3.114 1.00 14.23 H new ATOM 582 N PRO A 41 -2.446 17.618 -4.975 1.00 32.11 N ATOM 583 CA PRO A 41 -3.111 18.835 -5.430 1.00 43.05 C ATOM 584 C PRO A 41 -2.532 20.127 -4.821 1.00 41.52 C ATOM 585 O PRO A 41 -3.018 21.217 -5.108 1.00 71.41 O ATOM 586 CB PRO A 41 -4.557 18.623 -4.977 1.00 32.40 C ATOM 587 CG PRO A 41 -4.459 17.768 -3.746 1.00 5.45 C ATOM 588 CD PRO A 41 -3.181 16.964 -3.867 1.00 3.31 C ATOM 0 HA PRO A 41 -2.989 18.979 -6.504 1.00 43.05 H new ATOM 0 HB2 PRO A 41 -5.045 19.573 -4.760 1.00 32.40 H new ATOM 0 HB3 PRO A 41 -5.145 18.132 -5.752 1.00 32.40 H new ATOM 0 HG2 PRO A 41 -4.443 18.385 -2.848 1.00 5.45 H new ATOM 0 HG3 PRO A 41 -5.323 17.109 -3.664 1.00 5.45 H new ATOM 0 HD2 PRO A 41 -2.607 16.986 -2.941 1.00 3.31 H new ATOM 0 HD3 PRO A 41 -3.388 15.917 -4.089 1.00 3.31 H new ATOM 596 N ASP A 42 -1.501 20.005 -4.001 1.00 21.22 N ATOM 597 CA ASP A 42 -0.908 21.180 -3.346 1.00 53.02 C ATOM 598 C ASP A 42 0.380 21.551 -4.053 1.00 54.23 C ATOM 599 O ASP A 42 0.940 20.741 -4.796 1.00 21.12 O ATOM 600 CB ASP A 42 -0.604 20.897 -1.875 1.00 43.23 C ATOM 601 CG ASP A 42 -0.283 22.152 -1.066 1.00 1.14 C ATOM 602 OD1 ASP A 42 -1.051 23.137 -1.122 1.00 11.25 O ATOM 603 OD2 ASP A 42 0.729 22.173 -0.350 1.00 3.21 O ATOM 0 H ASP A 42 -1.055 19.118 -3.769 1.00 21.22 H new ATOM 0 HA ASP A 42 -1.624 22.000 -3.402 1.00 53.02 H new ATOM 0 HB2 ASP A 42 -1.460 20.394 -1.426 1.00 43.23 H new ATOM 0 HB3 ASP A 42 0.239 20.209 -1.812 1.00 43.23 H new ATOM 608 N THR A 43 0.853 22.735 -3.820 1.00 43.52 N ATOM 609 CA THR A 43 2.030 23.213 -4.461 1.00 3.53 C ATOM 610 C THR A 43 3.247 23.097 -3.513 1.00 53.13 C ATOM 611 O THR A 43 3.113 23.214 -2.294 1.00 55.21 O ATOM 612 CB THR A 43 1.804 24.672 -4.868 1.00 24.04 C ATOM 613 OG1 THR A 43 0.529 24.772 -5.530 1.00 21.11 O ATOM 614 CG2 THR A 43 2.889 25.162 -5.810 1.00 55.00 C ATOM 0 H THR A 43 0.427 23.400 -3.174 1.00 43.52 H new ATOM 0 HA THR A 43 2.239 22.612 -5.346 1.00 3.53 H new ATOM 0 HB THR A 43 1.829 25.290 -3.970 1.00 24.04 H new ATOM 0 HG1 THR A 43 0.370 25.702 -5.795 1.00 21.11 H new ATOM 0 HG21 THR A 43 2.696 26.201 -6.078 1.00 55.00 H new ATOM 0 HG22 THR A 43 3.859 25.088 -5.318 1.00 55.00 H new ATOM 0 HG23 THR A 43 2.892 24.549 -6.712 1.00 55.00 H new ATOM 622 N GLY A 44 4.411 22.865 -4.068 1.00 74.45 N ATOM 623 CA GLY A 44 5.603 22.735 -3.263 1.00 43.01 C ATOM 624 C GLY A 44 6.057 21.306 -3.218 1.00 1.20 C ATOM 625 O GLY A 44 6.959 20.942 -2.466 1.00 23.10 O ATOM 0 H GLY A 44 4.560 22.762 -5.072 1.00 74.45 H new ATOM 0 HA2 GLY A 44 6.395 23.361 -3.673 1.00 43.01 H new ATOM 0 HA3 GLY A 44 5.406 23.092 -2.252 1.00 43.01 H new ATOM 629 N VAL A 45 5.414 20.503 -4.021 1.00 23.03 N ATOM 630 CA VAL A 45 5.705 19.103 -4.123 1.00 21.34 C ATOM 631 C VAL A 45 6.580 18.883 -5.346 1.00 70.24 C ATOM 632 O VAL A 45 6.298 19.434 -6.426 1.00 33.32 O ATOM 633 CB VAL A 45 4.392 18.288 -4.287 1.00 65.12 C ATOM 634 CG1 VAL A 45 4.647 16.811 -4.264 1.00 62.03 C ATOM 635 CG2 VAL A 45 3.366 18.673 -3.241 1.00 21.40 C ATOM 0 H VAL A 45 4.659 20.811 -4.634 1.00 23.03 H new ATOM 0 HA VAL A 45 6.214 18.771 -3.218 1.00 21.34 H new ATOM 0 HB VAL A 45 3.984 18.538 -5.267 1.00 65.12 H new ATOM 0 HG11 VAL A 45 3.704 16.277 -4.381 1.00 62.03 H new ATOM 0 HG12 VAL A 45 5.319 16.545 -5.080 1.00 62.03 H new ATOM 0 HG13 VAL A 45 5.104 16.535 -3.314 1.00 62.03 H new ATOM 0 HG21 VAL A 45 2.460 18.084 -3.385 1.00 21.40 H new ATOM 0 HG22 VAL A 45 3.770 18.480 -2.247 1.00 21.40 H new ATOM 0 HG23 VAL A 45 3.129 19.732 -3.337 1.00 21.40 H new ATOM 645 N SER A 46 7.626 18.117 -5.186 1.00 15.13 N ATOM 646 CA SER A 46 8.529 17.795 -6.278 1.00 40.51 C ATOM 647 C SER A 46 7.858 16.860 -7.306 1.00 22.42 C ATOM 648 O SER A 46 6.704 16.418 -7.111 1.00 31.41 O ATOM 649 CB SER A 46 9.787 17.153 -5.708 1.00 44.15 C ATOM 650 OG SER A 46 10.449 18.051 -4.833 1.00 52.11 O ATOM 0 H SER A 46 7.884 17.693 -4.295 1.00 15.13 H new ATOM 0 HA SER A 46 8.792 18.714 -6.802 1.00 40.51 H new ATOM 0 HB2 SER A 46 9.526 16.240 -5.173 1.00 44.15 H new ATOM 0 HB3 SER A 46 10.456 16.867 -6.519 1.00 44.15 H new ATOM 0 HG SER A 46 10.007 18.041 -3.958 1.00 52.11 H new ATOM 656 N ARG A 47 8.564 16.560 -8.405 1.00 51.33 N ATOM 657 CA ARG A 47 8.025 15.654 -9.428 1.00 2.34 C ATOM 658 C ARG A 47 7.853 14.249 -8.884 1.00 30.12 C ATOM 659 O ARG A 47 6.994 13.488 -9.325 1.00 55.50 O ATOM 660 CB ARG A 47 8.832 15.697 -10.727 1.00 14.45 C ATOM 661 CG ARG A 47 10.298 15.385 -10.592 1.00 65.51 C ATOM 662 CD ARG A 47 11.028 15.701 -11.873 1.00 44.23 C ATOM 663 NE ARG A 47 10.927 17.129 -12.202 1.00 22.51 N ATOM 664 CZ ARG A 47 11.842 17.845 -12.853 1.00 53.42 C ATOM 665 NH1 ARG A 47 12.935 17.264 -13.342 1.00 22.23 N ATOM 666 NH2 ARG A 47 11.638 19.139 -13.029 1.00 35.12 N ATOM 0 H ARG A 47 9.495 16.925 -8.607 1.00 51.33 H new ATOM 0 HA ARG A 47 7.030 16.013 -9.691 1.00 2.34 H new ATOM 0 HB2 ARG A 47 8.392 14.991 -11.431 1.00 14.45 H new ATOM 0 HB3 ARG A 47 8.729 16.690 -11.165 1.00 14.45 H new ATOM 0 HG2 ARG A 47 10.724 15.963 -9.772 1.00 65.51 H new ATOM 0 HG3 ARG A 47 10.430 14.332 -10.342 1.00 65.51 H new ATOM 0 HD2 ARG A 47 12.077 15.421 -11.776 1.00 44.23 H new ATOM 0 HD3 ARG A 47 10.613 15.107 -12.687 1.00 44.23 H new ATOM 0 HE ARG A 47 10.081 17.615 -11.906 1.00 22.51 H new ATOM 0 HH11 ARG A 47 13.078 16.261 -13.220 1.00 22.23 H new ATOM 0 HH12 ARG A 47 13.630 17.821 -13.839 1.00 22.23 H new ATOM 0 HH21 ARG A 47 10.789 19.575 -12.668 1.00 35.12 H new ATOM 0 HH22 ARG A 47 12.329 19.701 -13.525 1.00 35.12 H new ATOM 680 N ARG A 48 8.684 13.927 -7.935 1.00 54.22 N ATOM 681 CA ARG A 48 8.575 12.742 -7.139 1.00 22.21 C ATOM 682 C ARG A 48 8.828 13.206 -5.734 1.00 1.40 C ATOM 683 O ARG A 48 9.847 13.824 -5.473 1.00 12.24 O ATOM 684 CB ARG A 48 9.602 11.673 -7.550 1.00 74.25 C ATOM 685 CG ARG A 48 9.450 11.208 -8.983 1.00 55.42 C ATOM 686 CD ARG A 48 10.527 10.229 -9.398 1.00 44.23 C ATOM 687 NE ARG A 48 10.463 8.922 -8.720 1.00 63.15 N ATOM 688 CZ ARG A 48 11.008 7.803 -9.238 1.00 11.54 C ATOM 689 NH1 ARG A 48 11.659 7.864 -10.388 1.00 53.24 N ATOM 690 NH2 ARG A 48 10.933 6.649 -8.600 1.00 13.50 N ATOM 0 H ARG A 48 9.486 14.506 -7.686 1.00 54.22 H new ATOM 0 HA ARG A 48 7.600 12.270 -7.260 1.00 22.21 H new ATOM 0 HB2 ARG A 48 10.606 12.073 -7.411 1.00 74.25 H new ATOM 0 HB3 ARG A 48 9.506 10.814 -6.886 1.00 74.25 H new ATOM 0 HG2 ARG A 48 8.473 10.741 -9.107 1.00 55.42 H new ATOM 0 HG3 ARG A 48 9.476 12.073 -9.646 1.00 55.42 H new ATOM 0 HD2 ARG A 48 10.459 10.069 -10.474 1.00 44.23 H new ATOM 0 HD3 ARG A 48 11.501 10.677 -9.203 1.00 44.23 H new ATOM 0 HE ARG A 48 9.986 8.861 -7.820 1.00 63.15 H new ATOM 0 HH11 ARG A 48 11.747 8.754 -10.878 1.00 53.24 H new ATOM 0 HH12 ARG A 48 12.073 7.021 -10.785 1.00 53.24 H new ATOM 0 HH21 ARG A 48 10.457 6.594 -7.700 1.00 13.50 H new ATOM 0 HH22 ARG A 48 11.351 5.813 -9.008 1.00 13.50 H new ATOM 704 N HIS A 49 7.868 13.029 -4.887 1.00 4.31 N ATOM 705 CA HIS A 49 7.960 13.471 -3.505 1.00 2.54 C ATOM 706 C HIS A 49 8.199 12.268 -2.619 1.00 73.22 C ATOM 707 O HIS A 49 9.054 12.278 -1.737 1.00 21.24 O ATOM 708 CB HIS A 49 6.656 14.245 -3.121 1.00 32.30 C ATOM 709 CG HIS A 49 6.518 14.713 -1.679 1.00 5.43 C ATOM 710 ND1 HIS A 49 6.248 16.026 -1.383 1.00 22.21 N ATOM 711 CD2 HIS A 49 6.549 14.005 -0.523 1.00 21.33 C ATOM 712 CE1 HIS A 49 6.119 16.081 -0.067 1.00 75.02 C ATOM 713 NE2 HIS A 49 6.297 14.882 0.492 1.00 53.53 N ATOM 0 H HIS A 49 6.986 12.573 -5.120 1.00 4.31 H new ATOM 0 HA HIS A 49 8.797 14.156 -3.370 1.00 2.54 H new ATOM 0 HB2 HIS A 49 6.581 15.119 -3.768 1.00 32.30 H new ATOM 0 HB3 HIS A 49 5.804 13.605 -3.350 1.00 32.30 H new ATOM 0 HD1 HIS A 49 6.164 16.800 -2.042 1.00 22.21 H new ATOM 0 HD2 HIS A 49 6.738 12.946 -0.424 1.00 21.33 H new ATOM 0 HE1 HIS A 49 5.898 16.982 0.485 1.00 75.02 H new ATOM 721 N LEU A 50 7.449 11.236 -2.879 1.00 44.30 N ATOM 722 CA LEU A 50 7.500 10.012 -2.137 1.00 63.20 C ATOM 723 C LEU A 50 6.821 8.959 -2.966 1.00 44.04 C ATOM 724 O LEU A 50 6.017 9.286 -3.812 1.00 60.34 O ATOM 725 CB LEU A 50 6.803 10.223 -0.757 1.00 74.32 C ATOM 726 CG LEU A 50 6.547 8.997 0.139 1.00 75.11 C ATOM 727 CD1 LEU A 50 6.507 9.433 1.578 1.00 32.30 C ATOM 728 CD2 LEU A 50 5.204 8.363 -0.200 1.00 12.31 C ATOM 0 H LEU A 50 6.765 11.224 -3.636 1.00 44.30 H new ATOM 0 HA LEU A 50 8.523 9.696 -1.934 1.00 63.20 H new ATOM 0 HB2 LEU A 50 7.407 10.929 -0.186 1.00 74.32 H new ATOM 0 HB3 LEU A 50 5.842 10.703 -0.942 1.00 74.32 H new ATOM 0 HG LEU A 50 7.347 8.275 -0.025 1.00 75.11 H new ATOM 0 HD11 LEU A 50 6.326 8.568 2.215 1.00 32.30 H new ATOM 0 HD12 LEU A 50 7.460 9.889 1.847 1.00 32.30 H new ATOM 0 HD13 LEU A 50 5.706 10.159 1.716 1.00 32.30 H new ATOM 0 HD21 LEU A 50 5.038 7.498 0.442 1.00 12.31 H new ATOM 0 HD22 LEU A 50 4.408 9.091 -0.042 1.00 12.31 H new ATOM 0 HD23 LEU A 50 5.204 8.046 -1.243 1.00 12.31 H new ATOM 740 N GLU A 51 7.166 7.736 -2.776 1.00 43.43 N ATOM 741 CA GLU A 51 6.512 6.668 -3.468 1.00 54.24 C ATOM 742 C GLU A 51 6.245 5.543 -2.521 1.00 73.42 C ATOM 743 O GLU A 51 7.020 5.298 -1.582 1.00 34.22 O ATOM 744 CB GLU A 51 7.319 6.187 -4.670 1.00 71.12 C ATOM 745 CG GLU A 51 8.729 5.748 -4.347 1.00 25.12 C ATOM 746 CD GLU A 51 9.480 5.336 -5.567 1.00 31.45 C ATOM 747 OE1 GLU A 51 9.423 4.144 -5.954 1.00 0.35 O ATOM 748 OE2 GLU A 51 10.160 6.184 -6.169 1.00 15.25 O ATOM 0 H GLU A 51 7.907 7.441 -2.140 1.00 43.43 H new ATOM 0 HA GLU A 51 5.565 7.045 -3.854 1.00 54.24 H new ATOM 0 HB2 GLU A 51 6.791 5.355 -5.136 1.00 71.12 H new ATOM 0 HB3 GLU A 51 7.362 6.989 -5.407 1.00 71.12 H new ATOM 0 HG2 GLU A 51 9.258 6.563 -3.854 1.00 25.12 H new ATOM 0 HG3 GLU A 51 8.697 4.916 -3.643 1.00 25.12 H new ATOM 755 N ILE A 52 5.145 4.906 -2.707 1.00 74.14 N ATOM 756 CA ILE A 52 4.813 3.787 -1.908 1.00 74.21 C ATOM 757 C ILE A 52 4.840 2.560 -2.770 1.00 50.21 C ATOM 758 O ILE A 52 4.060 2.435 -3.718 1.00 14.32 O ATOM 759 CB ILE A 52 3.421 3.909 -1.253 1.00 52.52 C ATOM 760 CG1 ILE A 52 3.332 5.182 -0.398 1.00 30.22 C ATOM 761 CG2 ILE A 52 3.158 2.673 -0.406 1.00 71.12 C ATOM 762 CD1 ILE A 52 1.973 5.415 0.237 1.00 21.32 C ATOM 0 H ILE A 52 4.452 5.147 -3.416 1.00 74.14 H new ATOM 0 HA ILE A 52 5.545 3.728 -1.102 1.00 74.21 H new ATOM 0 HB ILE A 52 2.662 3.980 -2.032 1.00 52.52 H new ATOM 0 HG12 ILE A 52 4.084 5.130 0.390 1.00 30.22 H new ATOM 0 HG13 ILE A 52 3.581 6.042 -1.020 1.00 30.22 H new ATOM 0 HG21 ILE A 52 2.176 2.753 0.060 1.00 71.12 H new ATOM 0 HG22 ILE A 52 3.189 1.786 -1.038 1.00 71.12 H new ATOM 0 HG23 ILE A 52 3.921 2.593 0.368 1.00 71.12 H new ATOM 0 HD11 ILE A 52 1.998 6.334 0.823 1.00 21.32 H new ATOM 0 HD12 ILE A 52 1.217 5.502 -0.543 1.00 21.32 H new ATOM 0 HD13 ILE A 52 1.727 4.576 0.888 1.00 21.32 H new ATOM 774 N ARG A 53 5.732 1.679 -2.486 1.00 42.44 N ATOM 775 CA ARG A 53 5.783 0.463 -3.199 1.00 23.14 C ATOM 776 C ARG A 53 4.981 -0.578 -2.474 1.00 33.53 C ATOM 777 O ARG A 53 5.381 -1.075 -1.419 1.00 22.15 O ATOM 778 CB ARG A 53 7.211 -0.023 -3.428 1.00 51.20 C ATOM 779 CG ARG A 53 7.257 -1.413 -4.028 1.00 51.10 C ATOM 780 CD ARG A 53 8.655 -1.916 -4.211 1.00 45.51 C ATOM 781 NE ARG A 53 8.647 -3.308 -4.639 1.00 42.34 N ATOM 782 CZ ARG A 53 9.588 -3.897 -5.360 1.00 10.42 C ATOM 783 NH1 ARG A 53 10.656 -3.209 -5.774 1.00 12.10 N ATOM 784 NH2 ARG A 53 9.458 -5.176 -5.658 1.00 71.31 N ATOM 0 H ARG A 53 6.439 1.783 -1.759 1.00 42.44 H new ATOM 0 HA ARG A 53 5.353 0.639 -4.185 1.00 23.14 H new ATOM 0 HB2 ARG A 53 7.727 0.673 -4.089 1.00 51.20 H new ATOM 0 HB3 ARG A 53 7.749 -0.021 -2.480 1.00 51.20 H new ATOM 0 HG2 ARG A 53 6.709 -2.101 -3.384 1.00 51.10 H new ATOM 0 HG3 ARG A 53 6.749 -1.405 -4.992 1.00 51.10 H new ATOM 0 HD2 ARG A 53 9.173 -1.305 -4.951 1.00 45.51 H new ATOM 0 HD3 ARG A 53 9.207 -1.821 -3.276 1.00 45.51 H new ATOM 0 HE ARG A 53 7.848 -3.878 -4.359 1.00 42.34 H new ATOM 0 HH11 ARG A 53 10.751 -2.222 -5.535 1.00 12.10 H new ATOM 0 HH12 ARG A 53 11.376 -3.671 -6.329 1.00 12.10 H new ATOM 0 HH21 ARG A 53 8.642 -5.695 -5.334 1.00 71.31 H new ATOM 0 HH22 ARG A 53 10.174 -5.646 -6.213 1.00 71.31 H new ATOM 798 N TRP A 54 3.866 -0.896 -3.016 1.00 61.33 N ATOM 799 CA TRP A 54 3.065 -1.921 -2.480 1.00 23.11 C ATOM 800 C TRP A 54 3.355 -3.181 -3.262 1.00 35.43 C ATOM 801 O TRP A 54 3.037 -3.284 -4.449 1.00 74.43 O ATOM 802 CB TRP A 54 1.564 -1.529 -2.496 1.00 4.43 C ATOM 803 CG TRP A 54 0.614 -2.660 -2.154 1.00 72.25 C ATOM 804 CD1 TRP A 54 -0.463 -3.064 -2.881 1.00 34.23 C ATOM 805 CD2 TRP A 54 0.684 -3.551 -1.029 1.00 15.32 C ATOM 806 NE1 TRP A 54 -1.066 -4.141 -2.287 1.00 52.30 N ATOM 807 CE2 TRP A 54 -0.375 -4.467 -1.154 1.00 20.33 C ATOM 808 CE3 TRP A 54 1.540 -3.666 0.064 1.00 75.55 C ATOM 809 CZ2 TRP A 54 -0.592 -5.485 -0.227 1.00 51.25 C ATOM 810 CZ3 TRP A 54 1.325 -4.671 0.981 1.00 5.21 C ATOM 811 CH2 TRP A 54 0.270 -5.571 0.830 1.00 34.32 C ATOM 0 H TRP A 54 3.484 -0.448 -3.849 1.00 61.33 H new ATOM 0 HA TRP A 54 3.303 -2.091 -1.430 1.00 23.11 H new ATOM 0 HB2 TRP A 54 1.407 -0.714 -1.790 1.00 4.43 H new ATOM 0 HB3 TRP A 54 1.312 -1.147 -3.485 1.00 4.43 H new ATOM 0 HD1 TRP A 54 -0.796 -2.600 -3.798 1.00 34.23 H new ATOM 0 HE1 TRP A 54 -1.896 -4.622 -2.634 1.00 52.30 H new ATOM 0 HE3 TRP A 54 2.361 -2.976 0.191 1.00 75.55 H new ATOM 0 HZ2 TRP A 54 -1.411 -6.180 -0.340 1.00 51.25 H new ATOM 0 HZ3 TRP A 54 1.984 -4.764 1.831 1.00 5.21 H new ATOM 0 HH2 TRP A 54 0.132 -6.352 1.563 1.00 34.32 H new ATOM 822 N ASP A 55 4.050 -4.078 -2.634 1.00 25.42 N ATOM 823 CA ASP A 55 4.365 -5.345 -3.245 1.00 21.45 C ATOM 824 C ASP A 55 3.351 -6.331 -2.667 1.00 61.40 C ATOM 825 O ASP A 55 2.478 -5.921 -1.937 1.00 24.40 O ATOM 826 CB ASP A 55 5.824 -5.750 -2.905 1.00 32.53 C ATOM 827 CG ASP A 55 6.406 -6.817 -3.834 1.00 5.14 C ATOM 828 OD1 ASP A 55 5.934 -7.962 -3.818 1.00 25.01 O ATOM 829 OD2 ASP A 55 7.376 -6.521 -4.583 1.00 71.15 O ATOM 0 H ASP A 55 4.416 -3.960 -1.689 1.00 25.42 H new ATOM 0 HA ASP A 55 4.303 -5.316 -4.333 1.00 21.45 H new ATOM 0 HB2 ASP A 55 6.456 -4.863 -2.947 1.00 32.53 H new ATOM 0 HB3 ASP A 55 5.859 -6.118 -1.879 1.00 32.53 H new ATOM 834 N GLY A 56 3.463 -7.593 -2.929 1.00 5.54 N ATOM 835 CA GLY A 56 2.460 -8.509 -2.407 1.00 60.53 C ATOM 836 C GLY A 56 2.815 -9.009 -1.035 1.00 31.50 C ATOM 837 O GLY A 56 2.127 -9.851 -0.465 1.00 72.43 O ATOM 0 H GLY A 56 4.207 -8.018 -3.481 1.00 5.54 H new ATOM 0 HA2 GLY A 56 1.494 -8.006 -2.371 1.00 60.53 H new ATOM 0 HA3 GLY A 56 2.354 -9.356 -3.085 1.00 60.53 H new ATOM 841 N GLN A 57 3.883 -8.483 -0.503 1.00 22.14 N ATOM 842 CA GLN A 57 4.353 -8.869 0.790 1.00 41.14 C ATOM 843 C GLN A 57 4.343 -7.707 1.763 1.00 70.32 C ATOM 844 O GLN A 57 3.641 -7.750 2.787 1.00 33.11 O ATOM 845 CB GLN A 57 5.731 -9.506 0.681 1.00 13.11 C ATOM 846 CG GLN A 57 5.693 -10.859 -0.013 1.00 11.13 C ATOM 847 CD GLN A 57 4.844 -11.851 0.751 1.00 2.11 C ATOM 848 OE1 GLN A 57 4.765 -11.800 1.984 1.00 53.24 O ATOM 849 NE2 GLN A 57 4.159 -12.707 0.049 1.00 35.51 N ATOM 0 H GLN A 57 4.452 -7.771 -0.960 1.00 22.14 H new ATOM 0 HA GLN A 57 3.667 -9.614 1.193 1.00 41.14 H new ATOM 0 HB2 GLN A 57 6.394 -8.838 0.132 1.00 13.11 H new ATOM 0 HB3 GLN A 57 6.153 -9.625 1.679 1.00 13.11 H new ATOM 0 HG2 GLN A 57 5.297 -10.741 -1.022 1.00 11.13 H new ATOM 0 HG3 GLN A 57 6.707 -11.247 -0.112 1.00 11.13 H new ATOM 0 HE21 GLN A 57 4.249 -12.721 -0.967 1.00 35.51 H new ATOM 0 HE22 GLN A 57 3.533 -13.363 0.515 1.00 35.51 H new ATOM 858 N VAL A 58 5.097 -6.672 1.468 1.00 32.23 N ATOM 859 CA VAL A 58 5.175 -5.527 2.357 1.00 73.21 C ATOM 860 C VAL A 58 4.851 -4.240 1.630 1.00 74.10 C ATOM 861 O VAL A 58 4.953 -4.161 0.392 1.00 43.22 O ATOM 862 CB VAL A 58 6.571 -5.382 3.049 1.00 54.34 C ATOM 863 CG1 VAL A 58 6.880 -6.578 3.936 1.00 61.32 C ATOM 864 CG2 VAL A 58 7.682 -5.171 2.021 1.00 12.42 C ATOM 0 H VAL A 58 5.664 -6.596 0.624 1.00 32.23 H new ATOM 0 HA VAL A 58 4.431 -5.711 3.132 1.00 73.21 H new ATOM 0 HB VAL A 58 6.526 -4.497 3.684 1.00 54.34 H new ATOM 0 HG11 VAL A 58 7.857 -6.444 4.401 1.00 61.32 H new ATOM 0 HG12 VAL A 58 6.118 -6.663 4.711 1.00 61.32 H new ATOM 0 HG13 VAL A 58 6.887 -7.486 3.333 1.00 61.32 H new ATOM 0 HG21 VAL A 58 8.639 -5.074 2.534 1.00 12.42 H new ATOM 0 HG22 VAL A 58 7.718 -6.025 1.344 1.00 12.42 H new ATOM 0 HG23 VAL A 58 7.482 -4.264 1.451 1.00 12.42 H new ATOM 874 N ALA A 59 4.455 -3.254 2.392 1.00 64.43 N ATOM 875 CA ALA A 59 4.170 -1.949 1.875 1.00 12.23 C ATOM 876 C ALA A 59 5.336 -1.047 2.204 1.00 44.01 C ATOM 877 O ALA A 59 5.544 -0.650 3.361 1.00 12.31 O ATOM 878 CB ALA A 59 2.873 -1.417 2.446 1.00 64.35 C ATOM 0 H ALA A 59 4.321 -3.340 3.400 1.00 64.43 H new ATOM 0 HA ALA A 59 4.041 -1.991 0.794 1.00 12.23 H new ATOM 0 HB1 ALA A 59 2.676 -0.425 2.040 1.00 64.35 H new ATOM 0 HB2 ALA A 59 2.056 -2.087 2.179 1.00 64.35 H new ATOM 0 HB3 ALA A 59 2.951 -1.355 3.531 1.00 64.35 H new ATOM 884 N LEU A 60 6.107 -0.780 1.210 1.00 54.43 N ATOM 885 CA LEU A 60 7.328 -0.036 1.336 1.00 51.34 C ATOM 886 C LEU A 60 7.060 1.451 1.121 1.00 13.33 C ATOM 887 O LEU A 60 6.605 1.867 0.064 1.00 44.21 O ATOM 888 CB LEU A 60 8.345 -0.630 0.325 1.00 32.43 C ATOM 889 CG LEU A 60 9.782 -0.073 0.260 1.00 60.44 C ATOM 890 CD1 LEU A 60 10.659 -1.069 -0.480 1.00 53.03 C ATOM 891 CD2 LEU A 60 9.833 1.259 -0.479 1.00 52.23 C ATOM 0 H LEU A 60 5.907 -1.078 0.255 1.00 54.43 H new ATOM 0 HA LEU A 60 7.750 -0.119 2.337 1.00 51.34 H new ATOM 0 HB2 LEU A 60 8.420 -1.698 0.530 1.00 32.43 H new ATOM 0 HB3 LEU A 60 7.912 -0.526 -0.670 1.00 32.43 H new ATOM 0 HG LEU A 60 10.134 0.083 1.280 1.00 60.44 H new ATOM 0 HD11 LEU A 60 11.678 -0.687 -0.533 1.00 53.03 H new ATOM 0 HD12 LEU A 60 10.655 -2.021 0.050 1.00 53.03 H new ATOM 0 HD13 LEU A 60 10.273 -1.214 -1.489 1.00 53.03 H new ATOM 0 HD21 LEU A 60 10.861 1.621 -0.505 1.00 52.23 H new ATOM 0 HD22 LEU A 60 9.470 1.124 -1.498 1.00 52.23 H new ATOM 0 HD23 LEU A 60 9.205 1.986 0.037 1.00 52.23 H new ATOM 903 N LEU A 61 7.326 2.220 2.130 1.00 24.11 N ATOM 904 CA LEU A 61 7.147 3.650 2.109 1.00 55.51 C ATOM 905 C LEU A 61 8.519 4.272 1.916 1.00 12.42 C ATOM 906 O LEU A 61 9.436 4.001 2.699 1.00 72.45 O ATOM 907 CB LEU A 61 6.494 4.061 3.467 1.00 34.43 C ATOM 908 CG LEU A 61 6.121 5.549 3.756 1.00 32.43 C ATOM 909 CD1 LEU A 61 7.329 6.473 3.891 1.00 22.55 C ATOM 910 CD2 LEU A 61 5.158 6.069 2.713 1.00 52.24 C ATOM 0 H LEU A 61 7.684 1.867 3.018 1.00 24.11 H new ATOM 0 HA LEU A 61 6.498 3.990 1.302 1.00 55.51 H new ATOM 0 HB2 LEU A 61 5.581 3.475 3.574 1.00 34.43 H new ATOM 0 HB3 LEU A 61 7.172 3.741 4.258 1.00 34.43 H new ATOM 0 HG LEU A 61 5.634 5.554 4.731 1.00 32.43 H new ATOM 0 HD11 LEU A 61 6.989 7.489 4.091 1.00 22.55 H new ATOM 0 HD12 LEU A 61 7.958 6.132 4.714 1.00 22.55 H new ATOM 0 HD13 LEU A 61 7.904 6.458 2.965 1.00 22.55 H new ATOM 0 HD21 LEU A 61 4.910 7.108 2.932 1.00 52.24 H new ATOM 0 HD22 LEU A 61 5.620 6.006 1.728 1.00 52.24 H new ATOM 0 HD23 LEU A 61 4.248 5.469 2.726 1.00 52.24 H new ATOM 922 N ALA A 62 8.685 5.058 0.877 1.00 61.13 N ATOM 923 CA ALA A 62 9.963 5.678 0.625 1.00 64.33 C ATOM 924 C ALA A 62 9.816 7.113 0.156 1.00 74.33 C ATOM 925 O ALA A 62 9.184 7.385 -0.875 1.00 53.31 O ATOM 926 CB ALA A 62 10.758 4.871 -0.395 1.00 13.13 C ATOM 0 H ALA A 62 7.957 5.281 0.198 1.00 61.13 H new ATOM 0 HA ALA A 62 10.506 5.693 1.570 1.00 64.33 H new ATOM 0 HB1 ALA A 62 11.719 5.354 -0.572 1.00 13.13 H new ATOM 0 HB2 ALA A 62 10.923 3.864 -0.013 1.00 13.13 H new ATOM 0 HB3 ALA A 62 10.201 4.817 -1.330 1.00 13.13 H new ATOM 932 N ASP A 63 10.368 8.019 0.929 1.00 63.20 N ATOM 933 CA ASP A 63 10.464 9.425 0.561 1.00 4.42 C ATOM 934 C ASP A 63 11.383 9.544 -0.619 1.00 62.51 C ATOM 935 O ASP A 63 12.431 8.861 -0.677 1.00 10.45 O ATOM 936 CB ASP A 63 11.080 10.262 1.690 1.00 74.20 C ATOM 937 CG ASP A 63 10.183 10.643 2.782 1.00 12.21 C ATOM 938 OD1 ASP A 63 9.658 9.770 3.469 1.00 22.42 O ATOM 939 OD2 ASP A 63 10.082 11.869 3.024 1.00 64.14 O ATOM 0 H ASP A 63 10.769 7.805 1.842 1.00 63.20 H new ATOM 0 HA ASP A 63 9.458 9.786 0.347 1.00 4.42 H new ATOM 0 HB2 ASP A 63 11.915 9.703 2.113 1.00 74.20 H new ATOM 0 HB3 ASP A 63 11.493 11.172 1.254 1.00 74.20 H new ATOM 944 N LEU A 64 11.044 10.382 -1.545 1.00 42.10 N ATOM 945 CA LEU A 64 11.874 10.575 -2.685 1.00 30.44 C ATOM 946 C LEU A 64 12.121 12.071 -2.770 1.00 14.12 C ATOM 947 O LEU A 64 11.550 12.744 -3.613 1.00 32.11 O ATOM 948 CB LEU A 64 11.107 10.072 -3.942 1.00 23.54 C ATOM 949 CG LEU A 64 11.904 9.658 -5.208 1.00 63.54 C ATOM 950 CD1 LEU A 64 12.814 10.759 -5.742 1.00 54.43 C ATOM 951 CD2 LEU A 64 12.679 8.373 -4.968 1.00 31.21 C ATOM 0 H LEU A 64 10.194 10.945 -1.532 1.00 42.10 H new ATOM 0 HA LEU A 64 12.817 10.032 -2.620 1.00 30.44 H new ATOM 0 HB2 LEU A 64 10.508 9.214 -3.638 1.00 23.54 H new ATOM 0 HB3 LEU A 64 10.411 10.858 -4.236 1.00 23.54 H new ATOM 0 HG LEU A 64 11.163 9.479 -5.987 1.00 63.54 H new ATOM 0 HD11 LEU A 64 13.339 10.400 -6.627 1.00 54.43 H new ATOM 0 HD12 LEU A 64 12.215 11.631 -6.005 1.00 54.43 H new ATOM 0 HD13 LEU A 64 13.539 11.035 -4.976 1.00 54.43 H new ATOM 0 HD21 LEU A 64 13.228 8.105 -5.871 1.00 31.21 H new ATOM 0 HD22 LEU A 64 13.380 8.519 -4.146 1.00 31.21 H new ATOM 0 HD23 LEU A 64 11.985 7.571 -4.715 1.00 31.21 H new ATOM 963 N ASN A 65 12.991 12.560 -1.885 1.00 75.10 N ATOM 964 CA ASN A 65 13.369 13.983 -1.753 1.00 63.23 C ATOM 965 C ASN A 65 13.913 14.156 -0.340 1.00 71.05 C ATOM 966 O ASN A 65 13.709 13.284 0.504 1.00 4.41 O ATOM 967 CB ASN A 65 12.148 14.928 -1.898 1.00 75.13 C ATOM 968 CG ASN A 65 12.535 16.367 -2.157 1.00 51.40 C ATOM 969 OD1 ASN A 65 12.738 17.153 -1.237 1.00 52.33 O ATOM 970 ND2 ASN A 65 12.630 16.723 -3.399 1.00 72.34 N ATOM 0 H ASN A 65 13.473 11.962 -1.214 1.00 75.10 H new ATOM 0 HA ASN A 65 14.088 14.234 -2.533 1.00 63.23 H new ATOM 0 HB2 ASN A 65 11.519 14.575 -2.715 1.00 75.13 H new ATOM 0 HB3 ASN A 65 11.548 14.878 -0.989 1.00 75.13 H new ATOM 0 HD21 ASN A 65 12.880 17.683 -3.637 1.00 72.34 H new ATOM 0 HD22 ASN A 65 12.454 16.043 -4.139 1.00 72.34 H new ATOM 977 N SER A 66 14.609 15.229 -0.078 1.00 32.10 N ATOM 978 CA SER A 66 15.096 15.504 1.254 1.00 40.23 C ATOM 979 C SER A 66 14.324 16.667 1.916 1.00 4.41 C ATOM 980 O SER A 66 13.891 16.558 3.062 1.00 0.53 O ATOM 981 CB SER A 66 16.587 15.797 1.195 1.00 35.21 C ATOM 982 OG SER A 66 17.274 14.714 0.578 1.00 60.25 O ATOM 0 H SER A 66 14.855 15.934 -0.773 1.00 32.10 H new ATOM 0 HA SER A 66 14.928 14.624 1.875 1.00 40.23 H new ATOM 0 HB2 SER A 66 16.763 16.716 0.635 1.00 35.21 H new ATOM 0 HB3 SER A 66 16.974 15.957 2.201 1.00 35.21 H new ATOM 0 HG SER A 66 18.233 14.912 0.543 1.00 60.25 H new ATOM 988 N THR A 67 14.106 17.738 1.165 1.00 2.43 N ATOM 989 CA THR A 67 13.467 18.952 1.671 1.00 73.13 C ATOM 990 C THR A 67 11.946 18.756 1.869 1.00 74.34 C ATOM 991 O THR A 67 11.337 19.332 2.767 1.00 71.23 O ATOM 992 CB THR A 67 13.734 20.106 0.686 1.00 71.31 C ATOM 993 OG1 THR A 67 15.132 20.089 0.349 1.00 1.43 O ATOM 994 CG2 THR A 67 13.406 21.449 1.318 1.00 4.23 C ATOM 0 H THR A 67 14.368 17.792 0.181 1.00 2.43 H new ATOM 0 HA THR A 67 13.892 19.189 2.647 1.00 73.13 H new ATOM 0 HB THR A 67 13.107 19.974 -0.196 1.00 71.31 H new ATOM 0 HG1 THR A 67 15.326 20.815 -0.280 1.00 1.43 H new ATOM 0 HG21 THR A 67 13.603 22.246 0.601 1.00 4.23 H new ATOM 0 HG22 THR A 67 12.354 21.470 1.603 1.00 4.23 H new ATOM 0 HG23 THR A 67 14.025 21.595 2.203 1.00 4.23 H new ATOM 1002 N ASN A 68 11.356 17.904 1.062 1.00 30.01 N ATOM 1003 CA ASN A 68 9.917 17.588 1.155 1.00 23.34 C ATOM 1004 C ASN A 68 9.680 16.464 2.161 1.00 43.14 C ATOM 1005 O ASN A 68 8.696 15.735 2.062 1.00 31.43 O ATOM 1006 CB ASN A 68 9.346 17.190 -0.216 1.00 10.21 C ATOM 1007 CG ASN A 68 9.288 18.323 -1.236 1.00 51.43 C ATOM 1008 OD1 ASN A 68 9.389 18.085 -2.436 1.00 44.31 O ATOM 1009 ND2 ASN A 68 9.105 19.546 -0.789 1.00 24.52 N ATOM 0 H ASN A 68 11.843 17.403 0.319 1.00 30.01 H new ATOM 0 HA ASN A 68 9.402 18.486 1.495 1.00 23.34 H new ATOM 0 HB2 ASN A 68 9.951 16.381 -0.626 1.00 10.21 H new ATOM 0 HB3 ASN A 68 8.340 16.795 -0.075 1.00 10.21 H new ATOM 0 HD21 ASN A 68 9.044 20.325 -1.445 1.00 24.52 H new ATOM 0 HD22 ASN A 68 9.024 19.716 0.214 1.00 24.52 H new ATOM 1016 N GLY A 69 10.582 16.388 3.141 1.00 42.42 N ATOM 1017 CA GLY A 69 10.624 15.344 4.146 1.00 4.33 C ATOM 1018 C GLY A 69 9.297 14.958 4.761 1.00 34.00 C ATOM 1019 O GLY A 69 8.558 15.792 5.306 1.00 10.23 O ATOM 0 H GLY A 69 11.325 17.078 3.254 1.00 42.42 H new ATOM 0 HA2 GLY A 69 11.066 14.454 3.698 1.00 4.33 H new ATOM 0 HA3 GLY A 69 11.292 15.664 4.945 1.00 4.33 H new ATOM 1023 N THR A 70 9.014 13.708 4.649 1.00 42.23 N ATOM 1024 CA THR A 70 7.853 13.097 5.168 1.00 50.03 C ATOM 1025 C THR A 70 8.130 12.557 6.595 1.00 53.43 C ATOM 1026 O THR A 70 9.292 12.253 6.958 1.00 72.41 O ATOM 1027 CB THR A 70 7.471 11.953 4.191 1.00 5.33 C ATOM 1028 OG1 THR A 70 7.248 12.530 2.887 1.00 72.33 O ATOM 1029 CG2 THR A 70 6.246 11.180 4.644 1.00 52.54 C ATOM 0 H THR A 70 9.625 13.051 4.164 1.00 42.23 H new ATOM 0 HA THR A 70 7.030 13.807 5.252 1.00 50.03 H new ATOM 0 HB THR A 70 8.290 11.235 4.163 1.00 5.33 H new ATOM 0 HG1 THR A 70 8.093 12.553 2.391 1.00 72.33 H new ATOM 0 HG21 THR A 70 6.025 10.393 3.923 1.00 52.54 H new ATOM 0 HG22 THR A 70 6.437 10.735 5.620 1.00 52.54 H new ATOM 0 HG23 THR A 70 5.394 11.857 4.714 1.00 52.54 H new ATOM 1037 N THR A 71 7.097 12.510 7.410 1.00 42.52 N ATOM 1038 CA THR A 71 7.198 11.970 8.732 1.00 24.32 C ATOM 1039 C THR A 71 6.285 10.782 8.888 1.00 51.31 C ATOM 1040 O THR A 71 5.156 10.783 8.389 1.00 15.31 O ATOM 1041 CB THR A 71 6.852 13.014 9.810 1.00 31.10 C ATOM 1042 OG1 THR A 71 5.674 13.761 9.436 1.00 65.34 O ATOM 1043 CG2 THR A 71 8.010 13.943 10.065 1.00 23.13 C ATOM 0 H THR A 71 6.166 12.848 7.166 1.00 42.52 H new ATOM 0 HA THR A 71 8.235 11.663 8.870 1.00 24.32 H new ATOM 0 HB THR A 71 6.643 12.479 10.736 1.00 31.10 H new ATOM 0 HG1 THR A 71 5.468 14.418 10.133 1.00 65.34 H new ATOM 0 HG21 THR A 71 7.733 14.668 10.831 1.00 23.13 H new ATOM 0 HG22 THR A 71 8.871 13.367 10.405 1.00 23.13 H new ATOM 0 HG23 THR A 71 8.265 14.468 9.144 1.00 23.13 H new ATOM 1051 N VAL A 72 6.757 9.792 9.576 1.00 32.20 N ATOM 1052 CA VAL A 72 5.996 8.617 9.861 1.00 10.13 C ATOM 1053 C VAL A 72 5.870 8.499 11.369 1.00 41.43 C ATOM 1054 O VAL A 72 6.862 8.478 12.086 1.00 50.02 O ATOM 1055 CB VAL A 72 6.634 7.340 9.244 1.00 53.04 C ATOM 1056 CG1 VAL A 72 6.659 7.439 7.722 1.00 21.23 C ATOM 1057 CG2 VAL A 72 8.046 7.124 9.763 1.00 44.01 C ATOM 0 H VAL A 72 7.701 9.777 9.963 1.00 32.20 H new ATOM 0 HA VAL A 72 5.010 8.705 9.405 1.00 10.13 H new ATOM 0 HB VAL A 72 6.022 6.489 9.541 1.00 53.04 H new ATOM 0 HG11 VAL A 72 7.109 6.537 7.306 1.00 21.23 H new ATOM 0 HG12 VAL A 72 5.641 7.543 7.347 1.00 21.23 H new ATOM 0 HG13 VAL A 72 7.246 8.308 7.423 1.00 21.23 H new ATOM 0 HG21 VAL A 72 8.465 6.224 9.313 1.00 44.01 H new ATOM 0 HG22 VAL A 72 8.665 7.982 9.501 1.00 44.01 H new ATOM 0 HG23 VAL A 72 8.022 7.011 10.847 1.00 44.01 H new ATOM 1067 N ASN A 73 4.655 8.555 11.845 1.00 71.33 N ATOM 1068 CA ASN A 73 4.339 8.516 13.277 1.00 14.42 C ATOM 1069 C ASN A 73 4.999 9.681 13.995 1.00 40.01 C ATOM 1070 O ASN A 73 5.336 9.594 15.167 1.00 10.32 O ATOM 1071 CB ASN A 73 4.718 7.157 13.900 1.00 51.54 C ATOM 1072 CG ASN A 73 3.832 6.041 13.384 1.00 13.50 C ATOM 1073 OD1 ASN A 73 2.658 6.261 13.091 1.00 24.31 O ATOM 1074 ND2 ASN A 73 4.373 4.865 13.248 1.00 72.03 N ATOM 0 H ASN A 73 3.830 8.631 11.250 1.00 71.33 H new ATOM 0 HA ASN A 73 3.261 8.622 13.397 1.00 14.42 H new ATOM 0 HB2 ASN A 73 5.760 6.930 13.673 1.00 51.54 H new ATOM 0 HB3 ASN A 73 4.634 7.217 14.985 1.00 51.54 H new ATOM 0 HD21 ASN A 73 3.820 4.088 12.888 1.00 72.03 H new ATOM 0 HD22 ASN A 73 5.350 4.721 13.502 1.00 72.03 H new ATOM 1081 N ASN A 74 5.159 10.791 13.233 1.00 61.13 N ATOM 1082 CA ASN A 74 5.764 12.068 13.674 1.00 33.13 C ATOM 1083 C ASN A 74 7.312 11.981 13.663 1.00 3.24 C ATOM 1084 O ASN A 74 8.012 12.935 13.985 1.00 21.01 O ATOM 1085 CB ASN A 74 5.210 12.532 15.054 1.00 54.45 C ATOM 1086 CG ASN A 74 5.626 13.937 15.485 1.00 2.51 C ATOM 1087 OD1 ASN A 74 5.815 14.834 14.661 1.00 40.34 O ATOM 1088 ND2 ASN A 74 5.768 14.139 16.777 1.00 72.32 N ATOM 0 H ASN A 74 4.858 10.820 12.259 1.00 61.13 H new ATOM 0 HA ASN A 74 5.475 12.835 12.956 1.00 33.13 H new ATOM 0 HB2 ASN A 74 4.121 12.486 15.024 1.00 54.45 H new ATOM 0 HB3 ASN A 74 5.538 11.824 15.815 1.00 54.45 H new ATOM 0 HD21 ASN A 74 6.042 15.059 17.122 1.00 72.32 H new ATOM 0 HD22 ASN A 74 5.604 13.376 17.434 1.00 72.32 H new ATOM 1095 N ALA A 75 7.833 10.843 13.252 1.00 0.02 N ATOM 1096 CA ALA A 75 9.263 10.640 13.185 1.00 33.33 C ATOM 1097 C ALA A 75 9.759 10.855 11.754 1.00 34.14 C ATOM 1098 O ALA A 75 9.160 10.351 10.802 1.00 23.54 O ATOM 1099 CB ALA A 75 9.627 9.248 13.675 1.00 21.43 C ATOM 0 H ALA A 75 7.280 10.038 12.957 1.00 0.02 H new ATOM 0 HA ALA A 75 9.750 11.367 13.834 1.00 33.33 H new ATOM 0 HB1 ALA A 75 10.707 9.113 13.617 1.00 21.43 H new ATOM 0 HB2 ALA A 75 9.301 9.129 14.708 1.00 21.43 H new ATOM 0 HB3 ALA A 75 9.134 8.502 13.051 1.00 21.43 H new ATOM 1105 N PRO A 76 10.818 11.633 11.577 1.00 70.34 N ATOM 1106 CA PRO A 76 11.390 11.901 10.258 1.00 53.43 C ATOM 1107 C PRO A 76 12.292 10.762 9.768 1.00 64.42 C ATOM 1108 O PRO A 76 13.221 10.345 10.463 1.00 61.03 O ATOM 1109 CB PRO A 76 12.204 13.172 10.496 1.00 74.52 C ATOM 1110 CG PRO A 76 12.633 13.090 11.922 1.00 70.32 C ATOM 1111 CD PRO A 76 11.550 12.344 12.653 1.00 70.11 C ATOM 0 HA PRO A 76 10.627 12.000 9.486 1.00 53.43 H new ATOM 0 HB2 PRO A 76 13.063 13.222 9.827 1.00 74.52 H new ATOM 0 HB3 PRO A 76 11.606 14.065 10.314 1.00 74.52 H new ATOM 0 HG2 PRO A 76 13.588 12.572 12.010 1.00 70.32 H new ATOM 0 HG3 PRO A 76 12.770 14.086 12.343 1.00 70.32 H new ATOM 0 HD2 PRO A 76 11.966 11.647 13.381 1.00 70.11 H new ATOM 0 HD3 PRO A 76 10.896 13.023 13.200 1.00 70.11 H new ATOM 1119 N VAL A 77 12.006 10.259 8.585 1.00 23.11 N ATOM 1120 CA VAL A 77 12.775 9.179 7.961 1.00 74.15 C ATOM 1121 C VAL A 77 12.777 9.414 6.464 1.00 44.24 C ATOM 1122 O VAL A 77 12.257 10.430 6.007 1.00 5.55 O ATOM 1123 CB VAL A 77 12.140 7.766 8.221 1.00 62.35 C ATOM 1124 CG1 VAL A 77 12.147 7.383 9.697 1.00 12.33 C ATOM 1125 CG2 VAL A 77 10.726 7.705 7.659 1.00 63.14 C ATOM 0 H VAL A 77 11.226 10.586 8.015 1.00 23.11 H new ATOM 0 HA VAL A 77 13.777 9.187 8.389 1.00 74.15 H new ATOM 0 HB VAL A 77 12.763 7.037 7.702 1.00 62.35 H new ATOM 0 HG11 VAL A 77 11.697 6.398 9.819 1.00 12.33 H new ATOM 0 HG12 VAL A 77 13.174 7.361 10.062 1.00 12.33 H new ATOM 0 HG13 VAL A 77 11.575 8.116 10.266 1.00 12.33 H new ATOM 0 HG21 VAL A 77 10.302 6.719 7.848 1.00 63.14 H new ATOM 0 HG22 VAL A 77 10.110 8.464 8.141 1.00 63.14 H new ATOM 0 HG23 VAL A 77 10.753 7.888 6.585 1.00 63.14 H new ATOM 1135 N GLN A 78 13.376 8.514 5.716 1.00 64.51 N ATOM 1136 CA GLN A 78 13.279 8.552 4.270 1.00 61.54 C ATOM 1137 C GLN A 78 12.735 7.222 3.744 1.00 63.42 C ATOM 1138 O GLN A 78 12.421 7.089 2.568 1.00 32.22 O ATOM 1139 CB GLN A 78 14.619 8.874 3.598 1.00 22.50 C ATOM 1140 CG GLN A 78 15.712 7.849 3.830 1.00 32.11 C ATOM 1141 CD GLN A 78 16.950 8.137 3.019 1.00 24.31 C ATOM 1142 OE1 GLN A 78 17.097 7.668 1.894 1.00 32.23 O ATOM 1143 NE2 GLN A 78 17.843 8.900 3.568 1.00 13.44 N ATOM 0 H GLN A 78 13.937 7.745 6.084 1.00 64.51 H new ATOM 0 HA GLN A 78 12.590 9.358 4.017 1.00 61.54 H new ATOM 0 HB2 GLN A 78 14.456 8.973 2.525 1.00 22.50 H new ATOM 0 HB3 GLN A 78 14.966 9.842 3.959 1.00 22.50 H new ATOM 0 HG2 GLN A 78 15.970 7.830 4.889 1.00 32.11 H new ATOM 0 HG3 GLN A 78 15.337 6.858 3.576 1.00 32.11 H new ATOM 0 HE21 GLN A 78 17.689 9.273 4.505 1.00 13.44 H new ATOM 0 HE22 GLN A 78 18.700 9.127 3.063 1.00 13.44 H new ATOM 1152 N GLU A 79 12.652 6.238 4.613 1.00 4.20 N ATOM 1153 CA GLU A 79 12.156 4.925 4.248 1.00 42.34 C ATOM 1154 C GLU A 79 11.567 4.245 5.471 1.00 64.44 C ATOM 1155 O GLU A 79 12.146 4.304 6.577 1.00 22.24 O ATOM 1156 CB GLU A 79 13.259 4.080 3.569 1.00 14.40 C ATOM 1157 CG GLU A 79 14.522 3.906 4.391 1.00 50.13 C ATOM 1158 CD GLU A 79 15.649 3.309 3.595 1.00 22.05 C ATOM 1159 OE1 GLU A 79 16.372 4.065 2.921 1.00 41.12 O ATOM 1160 OE2 GLU A 79 15.877 2.090 3.654 1.00 73.42 O ATOM 0 H GLU A 79 12.926 6.323 5.592 1.00 4.20 H new ATOM 0 HA GLU A 79 11.360 5.031 3.511 1.00 42.34 H new ATOM 0 HB2 GLU A 79 12.853 3.095 3.339 1.00 14.40 H new ATOM 0 HB3 GLU A 79 13.521 4.546 2.619 1.00 14.40 H new ATOM 0 HG2 GLU A 79 14.832 4.874 4.784 1.00 50.13 H new ATOM 0 HG3 GLU A 79 14.309 3.267 5.248 1.00 50.13 H new ATOM 1167 N TRP A 80 10.418 3.649 5.291 1.00 71.24 N ATOM 1168 CA TRP A 80 9.667 3.056 6.367 1.00 61.13 C ATOM 1169 C TRP A 80 8.822 1.904 5.837 1.00 21.11 C ATOM 1170 O TRP A 80 8.477 1.867 4.656 1.00 51.54 O ATOM 1171 CB TRP A 80 8.781 4.164 6.990 1.00 31.41 C ATOM 1172 CG TRP A 80 7.897 3.769 8.130 1.00 2.14 C ATOM 1173 CD1 TRP A 80 6.563 3.495 8.070 1.00 40.43 C ATOM 1174 CD2 TRP A 80 8.270 3.656 9.500 1.00 42.42 C ATOM 1175 NE1 TRP A 80 6.086 3.211 9.315 1.00 74.10 N ATOM 1176 CE2 TRP A 80 7.113 3.302 10.216 1.00 15.01 C ATOM 1177 CE3 TRP A 80 9.474 3.814 10.196 1.00 74.31 C ATOM 1178 CZ2 TRP A 80 7.118 3.113 11.588 1.00 14.41 C ATOM 1179 CZ3 TRP A 80 9.474 3.626 11.560 1.00 3.21 C ATOM 1180 CH2 TRP A 80 8.302 3.277 12.239 1.00 51.12 C ATOM 0 H TRP A 80 9.970 3.560 4.379 1.00 71.24 H new ATOM 0 HA TRP A 80 10.332 2.648 7.129 1.00 61.13 H new ATOM 0 HB2 TRP A 80 9.434 4.967 7.331 1.00 31.41 H new ATOM 0 HB3 TRP A 80 8.152 4.577 6.202 1.00 31.41 H new ATOM 0 HD1 TRP A 80 5.970 3.502 7.167 1.00 40.43 H new ATOM 0 HE1 TRP A 80 5.121 2.970 9.539 1.00 74.10 H new ATOM 0 HE3 TRP A 80 10.383 4.077 9.675 1.00 74.31 H new ATOM 0 HZ2 TRP A 80 6.217 2.846 12.121 1.00 14.41 H new ATOM 0 HZ3 TRP A 80 10.393 3.750 12.114 1.00 3.21 H new ATOM 0 HH2 TRP A 80 8.338 3.134 13.309 1.00 51.12 H new ATOM 1191 N GLN A 81 8.550 0.951 6.677 1.00 31.44 N ATOM 1192 CA GLN A 81 7.663 -0.130 6.330 1.00 72.32 C ATOM 1193 C GLN A 81 6.318 0.128 6.993 1.00 34.43 C ATOM 1194 O GLN A 81 6.231 0.185 8.211 1.00 12.23 O ATOM 1195 CB GLN A 81 8.249 -1.512 6.717 1.00 13.23 C ATOM 1196 CG GLN A 81 8.636 -1.674 8.188 1.00 62.01 C ATOM 1197 CD GLN A 81 9.116 -3.075 8.517 1.00 44.12 C ATOM 1198 OE1 GLN A 81 8.689 -4.060 7.904 1.00 62.50 O ATOM 1199 NE2 GLN A 81 10.002 -3.187 9.469 1.00 3.40 N ATOM 0 H GLN A 81 8.933 0.896 7.621 1.00 31.44 H new ATOM 0 HA GLN A 81 7.535 -0.163 5.248 1.00 72.32 H new ATOM 0 HB2 GLN A 81 7.518 -2.281 6.465 1.00 13.23 H new ATOM 0 HB3 GLN A 81 9.131 -1.698 6.105 1.00 13.23 H new ATOM 0 HG2 GLN A 81 9.421 -0.959 8.434 1.00 62.01 H new ATOM 0 HG3 GLN A 81 7.777 -1.432 8.814 1.00 62.01 H new ATOM 0 HE21 GLN A 81 10.335 -2.355 9.956 1.00 3.40 H new ATOM 0 HE22 GLN A 81 10.361 -4.106 9.726 1.00 3.40 H new ATOM 1208 N LEU A 82 5.303 0.354 6.186 1.00 11.12 N ATOM 1209 CA LEU A 82 3.956 0.688 6.678 1.00 34.42 C ATOM 1210 C LEU A 82 3.365 -0.399 7.576 1.00 53.15 C ATOM 1211 O LEU A 82 3.603 -1.595 7.360 1.00 65.20 O ATOM 1212 CB LEU A 82 2.994 0.884 5.507 1.00 21.00 C ATOM 1213 CG LEU A 82 3.362 1.952 4.488 1.00 1.44 C ATOM 1214 CD1 LEU A 82 2.268 2.111 3.449 1.00 25.13 C ATOM 1215 CD2 LEU A 82 3.613 3.249 5.183 1.00 1.12 C ATOM 0 H LEU A 82 5.374 0.315 5.169 1.00 11.12 H new ATOM 0 HA LEU A 82 4.071 1.604 7.258 1.00 34.42 H new ATOM 0 HB2 LEU A 82 2.899 -0.067 4.983 1.00 21.00 H new ATOM 0 HB3 LEU A 82 2.011 1.125 5.912 1.00 21.00 H new ATOM 0 HG LEU A 82 4.271 1.641 3.973 1.00 1.44 H new ATOM 0 HD11 LEU A 82 2.556 2.880 2.732 1.00 25.13 H new ATOM 0 HD12 LEU A 82 2.122 1.165 2.927 1.00 25.13 H new ATOM 0 HD13 LEU A 82 1.339 2.402 3.940 1.00 25.13 H new ATOM 0 HD21 LEU A 82 3.876 4.010 4.449 1.00 1.12 H new ATOM 0 HD22 LEU A 82 2.714 3.556 5.717 1.00 1.12 H new ATOM 0 HD23 LEU A 82 4.433 3.130 5.891 1.00 1.12 H new ATOM 1227 N ALA A 83 2.634 0.025 8.582 1.00 74.53 N ATOM 1228 CA ALA A 83 1.864 -0.854 9.427 1.00 40.34 C ATOM 1229 C ALA A 83 0.510 -0.214 9.670 1.00 62.35 C ATOM 1230 O ALA A 83 0.317 0.979 9.369 1.00 32.31 O ATOM 1231 CB ALA A 83 2.567 -1.116 10.748 1.00 10.23 C ATOM 0 H ALA A 83 2.558 1.009 8.839 1.00 74.53 H new ATOM 0 HA ALA A 83 1.747 -1.817 8.930 1.00 40.34 H new ATOM 0 HB1 ALA A 83 1.958 -1.782 11.359 1.00 10.23 H new ATOM 0 HB2 ALA A 83 3.535 -1.581 10.559 1.00 10.23 H new ATOM 0 HB3 ALA A 83 2.714 -0.173 11.275 1.00 10.23 H new ATOM 1237 N ASP A 84 -0.425 -0.979 10.188 1.00 73.33 N ATOM 1238 CA ASP A 84 -1.760 -0.460 10.463 1.00 22.35 C ATOM 1239 C ASP A 84 -1.715 0.501 11.633 1.00 11.43 C ATOM 1240 O ASP A 84 -1.375 0.115 12.748 1.00 11.43 O ATOM 1241 CB ASP A 84 -2.751 -1.586 10.773 1.00 60.43 C ATOM 1242 CG ASP A 84 -4.170 -1.070 10.986 1.00 21.33 C ATOM 1243 OD1 ASP A 84 -4.923 -0.991 10.007 1.00 5.45 O ATOM 1244 OD2 ASP A 84 -4.559 -0.759 12.137 1.00 53.44 O ATOM 0 H ASP A 84 -0.293 -1.961 10.429 1.00 73.33 H new ATOM 0 HA ASP A 84 -2.100 0.060 9.567 1.00 22.35 H new ATOM 0 HB2 ASP A 84 -2.748 -2.305 9.953 1.00 60.43 H new ATOM 0 HB3 ASP A 84 -2.423 -2.119 11.666 1.00 60.43 H new ATOM 1249 N GLY A 85 -2.024 1.740 11.370 1.00 53.02 N ATOM 1250 CA GLY A 85 -2.058 2.728 12.404 1.00 63.32 C ATOM 1251 C GLY A 85 -0.969 3.763 12.268 1.00 63.33 C ATOM 1252 O GLY A 85 -0.870 4.674 13.107 1.00 50.02 O ATOM 0 H GLY A 85 -2.257 2.088 10.440 1.00 53.02 H new ATOM 0 HA2 GLY A 85 -3.028 3.226 12.391 1.00 63.32 H new ATOM 0 HA3 GLY A 85 -1.965 2.236 13.372 1.00 63.32 H new ATOM 1256 N ASP A 86 -0.151 3.647 11.232 1.00 14.44 N ATOM 1257 CA ASP A 86 0.926 4.611 11.033 1.00 45.13 C ATOM 1258 C ASP A 86 0.390 5.926 10.537 1.00 74.11 C ATOM 1259 O ASP A 86 -0.402 5.970 9.581 1.00 2.41 O ATOM 1260 CB ASP A 86 2.037 4.105 10.102 1.00 11.12 C ATOM 1261 CG ASP A 86 2.905 3.027 10.715 1.00 64.23 C ATOM 1262 OD1 ASP A 86 2.978 2.926 11.965 1.00 12.11 O ATOM 1263 OD2 ASP A 86 3.574 2.296 9.959 1.00 0.42 O ATOM 0 H ASP A 86 -0.208 2.911 10.528 1.00 14.44 H new ATOM 0 HA ASP A 86 1.381 4.753 12.013 1.00 45.13 H new ATOM 0 HB2 ASP A 86 1.585 3.718 9.189 1.00 11.12 H new ATOM 0 HB3 ASP A 86 2.668 4.946 9.814 1.00 11.12 H new ATOM 1268 N VAL A 87 0.799 6.986 11.196 1.00 32.01 N ATOM 1269 CA VAL A 87 0.374 8.329 10.847 1.00 3.00 C ATOM 1270 C VAL A 87 1.471 8.969 10.038 1.00 50.12 C ATOM 1271 O VAL A 87 2.533 9.243 10.545 1.00 32.21 O ATOM 1272 CB VAL A 87 0.119 9.201 12.111 1.00 10.13 C ATOM 1273 CG1 VAL A 87 -0.456 10.558 11.725 1.00 14.50 C ATOM 1274 CG2 VAL A 87 -0.795 8.488 13.098 1.00 64.44 C ATOM 0 H VAL A 87 1.437 6.945 11.991 1.00 32.01 H new ATOM 0 HA VAL A 87 -0.559 8.264 10.287 1.00 3.00 H new ATOM 0 HB VAL A 87 1.078 9.363 12.603 1.00 10.13 H new ATOM 0 HG11 VAL A 87 -0.626 11.150 12.624 1.00 14.50 H new ATOM 0 HG12 VAL A 87 0.247 11.079 11.075 1.00 14.50 H new ATOM 0 HG13 VAL A 87 -1.400 10.417 11.200 1.00 14.50 H new ATOM 0 HG21 VAL A 87 -0.954 9.122 13.970 1.00 64.44 H new ATOM 0 HG22 VAL A 87 -1.753 8.279 12.621 1.00 64.44 H new ATOM 0 HG23 VAL A 87 -0.333 7.551 13.410 1.00 64.44 H new ATOM 1284 N ILE A 88 1.219 9.217 8.816 1.00 41.11 N ATOM 1285 CA ILE A 88 2.220 9.732 7.941 1.00 42.12 C ATOM 1286 C ILE A 88 1.837 11.136 7.491 1.00 13.14 C ATOM 1287 O ILE A 88 0.712 11.375 7.088 1.00 41.51 O ATOM 1288 CB ILE A 88 2.381 8.779 6.729 1.00 72.24 C ATOM 1289 CG1 ILE A 88 2.772 7.382 7.240 1.00 73.01 C ATOM 1290 CG2 ILE A 88 3.412 9.308 5.732 1.00 1.44 C ATOM 1291 CD1 ILE A 88 2.937 6.343 6.167 1.00 71.30 C ATOM 0 H ILE A 88 0.309 9.071 8.379 1.00 41.11 H new ATOM 0 HA ILE A 88 3.175 9.793 8.462 1.00 42.12 H new ATOM 0 HB ILE A 88 1.431 8.719 6.197 1.00 72.24 H new ATOM 0 HG12 ILE A 88 3.706 7.462 7.796 1.00 73.01 H new ATOM 0 HG13 ILE A 88 2.011 7.041 7.943 1.00 73.01 H new ATOM 0 HG21 ILE A 88 3.499 8.614 4.896 1.00 1.44 H new ATOM 0 HG22 ILE A 88 3.094 10.283 5.363 1.00 1.44 H new ATOM 0 HG23 ILE A 88 4.379 9.404 6.225 1.00 1.44 H new ATOM 0 HD11 ILE A 88 3.213 5.391 6.621 1.00 71.30 H new ATOM 0 HD12 ILE A 88 1.999 6.228 5.625 1.00 71.30 H new ATOM 0 HD13 ILE A 88 3.720 6.655 5.476 1.00 71.30 H new ATOM 1303 N ARG A 89 2.745 12.061 7.609 1.00 2.31 N ATOM 1304 CA ARG A 89 2.498 13.420 7.180 1.00 23.03 C ATOM 1305 C ARG A 89 3.544 13.846 6.180 1.00 25.24 C ATOM 1306 O ARG A 89 4.747 13.657 6.406 1.00 71.43 O ATOM 1307 CB ARG A 89 2.428 14.407 8.369 1.00 60.33 C ATOM 1308 CG ARG A 89 2.431 15.878 7.938 1.00 21.42 C ATOM 1309 CD ARG A 89 2.314 16.847 9.100 1.00 23.44 C ATOM 1310 NE ARG A 89 0.935 16.996 9.607 1.00 31.12 N ATOM 1311 CZ ARG A 89 0.505 18.082 10.288 1.00 14.52 C ATOM 1312 NH1 ARG A 89 1.367 19.053 10.589 1.00 41.44 N ATOM 1313 NH2 ARG A 89 -0.776 18.200 10.642 1.00 51.32 N ATOM 0 H ARG A 89 3.673 11.903 8.001 1.00 2.31 H new ATOM 0 HA ARG A 89 1.520 13.443 6.699 1.00 23.03 H new ATOM 0 HB2 ARG A 89 1.525 14.207 8.946 1.00 60.33 H new ATOM 0 HB3 ARG A 89 3.275 14.228 9.031 1.00 60.33 H new ATOM 0 HG2 ARG A 89 3.351 16.087 7.392 1.00 21.42 H new ATOM 0 HG3 ARG A 89 1.605 16.048 7.248 1.00 21.42 H new ATOM 0 HD2 ARG A 89 2.956 16.507 9.912 1.00 23.44 H new ATOM 0 HD3 ARG A 89 2.685 17.823 8.787 1.00 23.44 H new ATOM 0 HE ARG A 89 0.272 16.240 9.434 1.00 31.12 H new ATOM 0 HH11 ARG A 89 2.344 18.974 10.306 1.00 41.44 H new ATOM 0 HH12 ARG A 89 1.050 19.875 11.103 1.00 41.44 H new ATOM 0 HH21 ARG A 89 -1.442 17.467 10.399 1.00 51.32 H new ATOM 0 HH22 ARG A 89 -1.089 19.024 11.156 1.00 51.32 H new ATOM 1327 N LEU A 90 3.087 14.412 5.098 1.00 33.11 N ATOM 1328 CA LEU A 90 3.927 14.882 4.035 1.00 61.01 C ATOM 1329 C LEU A 90 3.367 16.203 3.569 1.00 10.20 C ATOM 1330 O LEU A 90 2.153 16.323 3.469 1.00 31.42 O ATOM 1331 CB LEU A 90 4.021 13.866 2.851 1.00 2.41 C ATOM 1332 CG LEU A 90 2.739 13.543 2.031 1.00 23.43 C ATOM 1333 CD1 LEU A 90 3.103 12.714 0.811 1.00 50.34 C ATOM 1334 CD2 LEU A 90 1.705 12.783 2.861 1.00 31.41 C ATOM 0 H LEU A 90 2.093 14.563 4.928 1.00 33.11 H new ATOM 0 HA LEU A 90 4.946 14.998 4.404 1.00 61.01 H new ATOM 0 HB2 LEU A 90 4.771 14.241 2.155 1.00 2.41 H new ATOM 0 HB3 LEU A 90 4.400 12.926 3.253 1.00 2.41 H new ATOM 0 HG LEU A 90 2.299 14.493 1.727 1.00 23.43 H new ATOM 0 HD11 LEU A 90 2.201 12.491 0.241 1.00 50.34 H new ATOM 0 HD12 LEU A 90 3.799 13.273 0.186 1.00 50.34 H new ATOM 0 HD13 LEU A 90 3.570 11.782 1.130 1.00 50.34 H new ATOM 0 HD21 LEU A 90 0.826 12.578 2.249 1.00 31.41 H new ATOM 0 HD22 LEU A 90 2.135 11.842 3.205 1.00 31.41 H new ATOM 0 HD23 LEU A 90 1.415 13.386 3.722 1.00 31.41 H new ATOM 1346 N GLY A 91 4.270 17.152 3.271 1.00 73.21 N ATOM 1347 CA GLY A 91 3.963 18.564 2.913 1.00 23.42 C ATOM 1348 C GLY A 91 2.490 18.984 2.989 1.00 1.13 C ATOM 1349 O GLY A 91 1.749 18.871 2.005 1.00 25.31 O ATOM 0 H GLY A 91 5.272 16.959 3.270 1.00 73.21 H new ATOM 0 HA2 GLY A 91 4.538 19.216 3.571 1.00 23.42 H new ATOM 0 HA3 GLY A 91 4.317 18.743 1.898 1.00 23.42 H new ATOM 1353 N HIS A 92 2.086 19.434 4.186 1.00 65.03 N ATOM 1354 CA HIS A 92 0.727 19.954 4.503 1.00 52.14 C ATOM 1355 C HIS A 92 -0.311 18.877 4.762 1.00 43.44 C ATOM 1356 O HIS A 92 -1.193 19.062 5.599 1.00 41.21 O ATOM 1357 CB HIS A 92 0.172 20.973 3.471 1.00 13.44 C ATOM 1358 CG HIS A 92 0.906 22.268 3.406 1.00 73.42 C ATOM 1359 ND1 HIS A 92 1.380 22.825 2.242 1.00 12.34 N ATOM 1360 CD2 HIS A 92 1.220 23.136 4.391 1.00 44.03 C ATOM 1361 CE1 HIS A 92 1.964 23.981 2.543 1.00 13.31 C ATOM 1362 NE2 HIS A 92 1.895 24.224 3.845 1.00 44.43 N ATOM 0 H HIS A 92 2.709 19.451 4.994 1.00 65.03 H new ATOM 0 HA HIS A 92 0.897 20.487 5.439 1.00 52.14 H new ATOM 0 HB2 HIS A 92 0.190 20.513 2.483 1.00 13.44 H new ATOM 0 HB3 HIS A 92 -0.872 21.176 3.709 1.00 13.44 H new ATOM 0 HD1 HIS A 92 1.298 22.421 1.309 1.00 12.34 H new ATOM 0 HD2 HIS A 92 0.985 23.007 5.437 1.00 44.03 H new ATOM 0 HE1 HIS A 92 2.432 24.635 1.823 1.00 13.31 H new ATOM 1370 N SER A 93 -0.210 17.772 4.103 1.00 41.12 N ATOM 1371 CA SER A 93 -1.235 16.778 4.200 1.00 24.54 C ATOM 1372 C SER A 93 -0.815 15.649 5.150 1.00 21.25 C ATOM 1373 O SER A 93 0.373 15.491 5.478 1.00 4.43 O ATOM 1374 CB SER A 93 -1.578 16.254 2.796 1.00 4.51 C ATOM 1375 OG SER A 93 -2.765 15.483 2.805 1.00 64.41 O ATOM 0 H SER A 93 0.569 17.531 3.491 1.00 41.12 H new ATOM 0 HA SER A 93 -2.134 17.226 4.624 1.00 24.54 H new ATOM 0 HB2 SER A 93 -1.694 17.094 2.111 1.00 4.51 H new ATOM 0 HB3 SER A 93 -0.753 15.649 2.421 1.00 4.51 H new ATOM 0 HG SER A 93 -3.295 15.689 2.007 1.00 64.41 H new ATOM 1381 N GLU A 94 -1.776 14.881 5.601 1.00 12.13 N ATOM 1382 CA GLU A 94 -1.529 13.790 6.499 1.00 31.04 C ATOM 1383 C GLU A 94 -2.447 12.624 6.170 1.00 2.42 C ATOM 1384 O GLU A 94 -3.613 12.811 5.769 1.00 30.43 O ATOM 1385 CB GLU A 94 -1.626 14.239 7.968 1.00 25.25 C ATOM 1386 CG GLU A 94 -2.965 14.818 8.381 1.00 30.54 C ATOM 1387 CD GLU A 94 -2.888 15.496 9.718 1.00 63.20 C ATOM 1388 OE1 GLU A 94 -2.876 14.811 10.765 1.00 45.34 O ATOM 1389 OE2 GLU A 94 -2.797 16.744 9.747 1.00 11.42 O ATOM 0 H GLU A 94 -2.758 15.000 5.351 1.00 12.13 H new ATOM 0 HA GLU A 94 -0.505 13.442 6.362 1.00 31.04 H new ATOM 0 HB2 GLU A 94 -1.406 13.384 8.607 1.00 25.25 H new ATOM 0 HB3 GLU A 94 -0.853 14.985 8.155 1.00 25.25 H new ATOM 0 HG2 GLU A 94 -3.300 15.533 7.629 1.00 30.54 H new ATOM 0 HG3 GLU A 94 -3.709 14.023 8.419 1.00 30.54 H new ATOM 1396 N ILE A 95 -1.913 11.454 6.310 1.00 70.21 N ATOM 1397 CA ILE A 95 -2.552 10.234 5.930 1.00 10.50 C ATOM 1398 C ILE A 95 -2.274 9.143 6.977 1.00 33.42 C ATOM 1399 O ILE A 95 -1.174 9.037 7.498 1.00 65.42 O ATOM 1400 CB ILE A 95 -2.082 9.837 4.458 1.00 74.44 C ATOM 1401 CG1 ILE A 95 -2.484 8.411 4.002 1.00 10.22 C ATOM 1402 CG2 ILE A 95 -0.585 10.070 4.248 1.00 22.15 C ATOM 1403 CD1 ILE A 95 -1.591 7.280 4.515 1.00 14.34 C ATOM 0 H ILE A 95 -0.984 11.316 6.707 1.00 70.21 H new ATOM 0 HA ILE A 95 -3.635 10.357 5.901 1.00 10.50 H new ATOM 0 HB ILE A 95 -2.639 10.517 3.814 1.00 74.44 H new ATOM 0 HG12 ILE A 95 -3.507 8.219 4.327 1.00 10.22 H new ATOM 0 HG13 ILE A 95 -2.485 8.384 2.912 1.00 10.22 H new ATOM 0 HG21 ILE A 95 -0.312 9.786 3.232 1.00 22.15 H new ATOM 0 HG22 ILE A 95 -0.355 11.124 4.404 1.00 22.15 H new ATOM 0 HG23 ILE A 95 -0.020 9.467 4.958 1.00 22.15 H new ATOM 0 HD11 ILE A 95 -1.960 6.326 4.138 1.00 14.34 H new ATOM 0 HD12 ILE A 95 -0.570 7.437 4.168 1.00 14.34 H new ATOM 0 HD13 ILE A 95 -1.607 7.270 5.605 1.00 14.34 H new ATOM 1415 N ILE A 96 -3.283 8.375 7.304 1.00 23.13 N ATOM 1416 CA ILE A 96 -3.150 7.273 8.248 1.00 74.21 C ATOM 1417 C ILE A 96 -3.306 5.954 7.495 1.00 74.04 C ATOM 1418 O ILE A 96 -4.262 5.775 6.743 1.00 43.14 O ATOM 1419 CB ILE A 96 -4.197 7.365 9.401 1.00 45.24 C ATOM 1420 CG1 ILE A 96 -4.016 8.687 10.172 1.00 35.23 C ATOM 1421 CG2 ILE A 96 -4.076 6.165 10.353 1.00 71.41 C ATOM 1422 CD1 ILE A 96 -5.011 8.900 11.295 1.00 72.32 C ATOM 0 H ILE A 96 -4.224 8.489 6.928 1.00 23.13 H new ATOM 0 HA ILE A 96 -2.163 7.329 8.707 1.00 74.21 H new ATOM 0 HB ILE A 96 -5.195 7.344 8.963 1.00 45.24 H new ATOM 0 HG12 ILE A 96 -3.008 8.717 10.586 1.00 35.23 H new ATOM 0 HG13 ILE A 96 -4.097 9.517 9.470 1.00 35.23 H new ATOM 0 HG21 ILE A 96 -4.817 6.254 11.147 1.00 71.41 H new ATOM 0 HG22 ILE A 96 -4.247 5.242 9.799 1.00 71.41 H new ATOM 0 HG23 ILE A 96 -3.077 6.146 10.789 1.00 71.41 H new ATOM 0 HD11 ILE A 96 -4.810 9.854 11.783 1.00 72.32 H new ATOM 0 HD12 ILE A 96 -6.022 8.906 10.889 1.00 72.32 H new ATOM 0 HD13 ILE A 96 -4.917 8.094 12.022 1.00 72.32 H new ATOM 1434 N VAL A 97 -2.367 5.062 7.674 1.00 34.00 N ATOM 1435 CA VAL A 97 -2.361 3.792 6.971 1.00 23.43 C ATOM 1436 C VAL A 97 -3.124 2.708 7.719 1.00 32.42 C ATOM 1437 O VAL A 97 -2.916 2.496 8.905 1.00 21.42 O ATOM 1438 CB VAL A 97 -0.906 3.311 6.697 1.00 31.22 C ATOM 1439 CG1 VAL A 97 -0.885 1.892 6.156 1.00 75.23 C ATOM 1440 CG2 VAL A 97 -0.248 4.228 5.702 1.00 41.14 C ATOM 0 H VAL A 97 -1.581 5.190 8.311 1.00 34.00 H new ATOM 0 HA VAL A 97 -2.870 3.965 6.023 1.00 23.43 H new ATOM 0 HB VAL A 97 -0.363 3.329 7.642 1.00 31.22 H new ATOM 0 HG11 VAL A 97 0.146 1.587 5.975 1.00 75.23 H new ATOM 0 HG12 VAL A 97 -1.341 1.219 6.882 1.00 75.23 H new ATOM 0 HG13 VAL A 97 -1.445 1.851 5.222 1.00 75.23 H new ATOM 0 HG21 VAL A 97 0.770 3.889 5.512 1.00 41.14 H new ATOM 0 HG22 VAL A 97 -0.813 4.219 4.770 1.00 41.14 H new ATOM 0 HG23 VAL A 97 -0.224 5.242 6.102 1.00 41.14 H new ATOM 1450 N ARG A 98 -4.017 2.054 7.019 1.00 14.05 N ATOM 1451 CA ARG A 98 -4.720 0.900 7.524 1.00 0.05 C ATOM 1452 C ARG A 98 -4.291 -0.296 6.732 1.00 63.32 C ATOM 1453 O ARG A 98 -4.157 -0.221 5.515 1.00 43.54 O ATOM 1454 CB ARG A 98 -6.233 1.064 7.400 1.00 31.20 C ATOM 1455 CG ARG A 98 -6.800 2.156 8.257 1.00 1.12 C ATOM 1456 CD ARG A 98 -6.621 1.853 9.728 1.00 45.34 C ATOM 1457 NE ARG A 98 -7.137 2.931 10.561 1.00 1.33 N ATOM 1458 CZ ARG A 98 -6.932 3.045 11.876 1.00 4.21 C ATOM 1459 NH1 ARG A 98 -6.236 2.114 12.541 1.00 31.52 N ATOM 1460 NH2 ARG A 98 -7.429 4.084 12.523 1.00 62.33 N ATOM 0 H ARG A 98 -4.280 2.312 6.068 1.00 14.05 H new ATOM 0 HA ARG A 98 -4.481 0.781 8.581 1.00 0.05 H new ATOM 0 HB2 ARG A 98 -6.482 1.267 6.358 1.00 31.20 H new ATOM 0 HB3 ARG A 98 -6.713 0.122 7.665 1.00 31.20 H new ATOM 0 HG2 ARG A 98 -6.311 3.100 8.016 1.00 1.12 H new ATOM 0 HG3 ARG A 98 -7.860 2.281 8.036 1.00 1.12 H new ATOM 0 HD2 ARG A 98 -7.134 0.924 9.974 1.00 45.34 H new ATOM 0 HD3 ARG A 98 -5.563 1.700 9.943 1.00 45.34 H new ATOM 0 HE ARG A 98 -7.697 3.652 10.106 1.00 1.33 H new ATOM 0 HH11 ARG A 98 -5.857 1.308 12.043 1.00 31.52 H new ATOM 0 HH12 ARG A 98 -6.085 2.210 13.545 1.00 31.52 H new ATOM 0 HH21 ARG A 98 -7.964 4.791 12.018 1.00 62.33 H new ATOM 0 HH22 ARG A 98 -7.278 4.180 13.527 1.00 62.33 H new ATOM 1474 N MET A 99 -4.060 -1.370 7.395 1.00 22.04 N ATOM 1475 CA MET A 99 -3.665 -2.591 6.730 1.00 24.41 C ATOM 1476 C MET A 99 -4.578 -3.692 7.133 1.00 32.30 C ATOM 1477 O MET A 99 -4.622 -4.088 8.299 1.00 54.44 O ATOM 1478 CB MET A 99 -2.216 -2.987 6.998 1.00 14.41 C ATOM 1479 CG MET A 99 -1.184 -2.022 6.452 1.00 40.44 C ATOM 1480 SD MET A 99 0.509 -2.624 6.638 1.00 31.13 S ATOM 1481 CE MET A 99 0.485 -4.107 5.617 1.00 3.11 C ATOM 0 H MET A 99 -4.135 -1.444 8.410 1.00 22.04 H new ATOM 0 HA MET A 99 -3.738 -2.407 5.658 1.00 24.41 H new ATOM 0 HB2 MET A 99 -2.072 -3.080 8.074 1.00 14.41 H new ATOM 0 HB3 MET A 99 -2.037 -3.972 6.566 1.00 14.41 H new ATOM 0 HG2 MET A 99 -1.386 -1.841 5.396 1.00 40.44 H new ATOM 0 HG3 MET A 99 -1.282 -1.065 6.964 1.00 40.44 H new ATOM 0 HE1 MET A 99 1.344 -4.101 4.946 1.00 3.11 H new ATOM 0 HE2 MET A 99 0.530 -4.989 6.256 1.00 3.11 H new ATOM 0 HE3 MET A 99 -0.433 -4.130 5.030 1.00 3.11 H new ATOM 1491 N HIS A 100 -5.333 -4.137 6.207 1.00 13.42 N ATOM 1492 CA HIS A 100 -6.289 -5.171 6.423 1.00 3.25 C ATOM 1493 C HIS A 100 -5.710 -6.462 5.913 1.00 72.01 C ATOM 1494 O HIS A 100 -5.877 -6.771 4.716 1.00 45.21 O ATOM 1495 CB HIS A 100 -7.613 -4.848 5.713 1.00 14.33 C ATOM 1496 CG HIS A 100 -8.252 -3.555 6.150 1.00 13.32 C ATOM 1497 ND1 HIS A 100 -9.318 -3.478 7.012 1.00 63.53 N ATOM 1498 CD2 HIS A 100 -7.948 -2.270 5.821 1.00 73.34 C ATOM 1499 CE1 HIS A 100 -9.623 -2.195 7.188 1.00 34.14 C ATOM 1500 NE2 HIS A 100 -8.821 -1.412 6.483 1.00 52.23 N ATOM 1501 OXT HIS A 100 -5.029 -7.148 6.699 1.00 38.05 O ATOM 0 H HIS A 100 -5.310 -3.789 5.248 1.00 13.42 H new ATOM 0 HA HIS A 100 -6.506 -5.258 7.488 1.00 3.25 H new ATOM 0 HB2 HIS A 100 -7.435 -4.807 4.638 1.00 14.33 H new ATOM 0 HB3 HIS A 100 -8.314 -5.664 5.889 1.00 14.33 H new ATOM 0 HD2 HIS A 100 -7.156 -1.965 5.153 1.00 73.34 H new ATOM 0 HE1 HIS A 100 -10.421 -1.839 7.823 1.00 34.14 H new ATOM 0 HE2 HIS A 100 -8.839 -0.393 6.435 1.00 52.23 H new