USER MOD reduce.3.24.130724 H: found=0, std=0, add=801, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 798 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 72 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 73 THR OG1 : rot -177:sc= -0.385 USER MOD Single : A 1 MET CE :methyl -176:sc= -4.09 (180deg=-4.23) USER MOD Single : A 1 MET N :NH3+ -129:sc= 0.348 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -163:sc=-0.000231 (180deg=-0.101) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= -0.565 X(o=-0.57,f=-0.32) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=-0.027) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 CYS SG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 78:sc= 0.65 USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot -127:sc= 3.15 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 ASN : amide:sc= 0.996 K(o=1,f=0) USER MOD Single : A 101 HIS : no HD1:sc= 0 X(o=0,f=-0.031) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.966 -1.757 -2.047 1.00 24.02 N ATOM 2 CA MET A 1 3.155 -2.460 -2.514 1.00 63.25 C ATOM 3 C MET A 1 4.423 -1.716 -2.107 1.00 32.15 C ATOM 4 O MET A 1 4.375 -0.775 -1.315 1.00 12.44 O ATOM 5 CB MET A 1 3.113 -2.623 -4.035 1.00 55.01 C ATOM 6 CG MET A 1 3.317 -1.321 -4.792 1.00 4.44 C ATOM 7 SD MET A 1 3.500 -1.571 -6.568 1.00 2.51 S ATOM 8 CE MET A 1 1.790 -1.776 -7.059 1.00 10.12 C ATOM 0 H1 MET A 1 1.349 -2.420 -1.536 1.00 24.02 H new ATOM 0 H2 MET A 1 2.247 -0.985 -1.410 1.00 24.02 H new ATOM 0 H3 MET A 1 1.453 -1.364 -2.862 1.00 24.02 H new ATOM 0 HA MET A 1 3.168 -3.446 -2.049 1.00 63.25 H new ATOM 0 HB2 MET A 1 3.882 -3.334 -4.337 1.00 55.01 H new ATOM 0 HB3 MET A 1 2.152 -3.053 -4.320 1.00 55.01 H new ATOM 0 HG2 MET A 1 2.469 -0.661 -4.607 1.00 4.44 H new ATOM 0 HG3 MET A 1 4.203 -0.816 -4.407 1.00 4.44 H new ATOM 0 HE1 MET A 1 1.742 -2.011 -8.122 1.00 10.12 H new ATOM 0 HE2 MET A 1 1.342 -2.589 -6.488 1.00 10.12 H new ATOM 0 HE3 MET A 1 1.243 -0.853 -6.866 1.00 10.12 H new ATOM 18 N LYS A 2 5.556 -2.144 -2.652 1.00 23.33 N ATOM 19 CA LYS A 2 6.837 -1.518 -2.346 1.00 23.52 C ATOM 20 C LYS A 2 7.246 -0.548 -3.449 1.00 52.41 C ATOM 21 O LYS A 2 6.986 -0.787 -4.628 1.00 61.43 O ATOM 22 CB LYS A 2 7.919 -2.586 -2.165 1.00 1.44 C ATOM 23 CG LYS A 2 7.726 -3.443 -0.926 1.00 70.40 C ATOM 24 CD LYS A 2 8.773 -4.541 -0.839 1.00 71.22 C ATOM 25 CE LYS A 2 8.207 -5.887 -1.266 1.00 54.45 C ATOM 26 NZ LYS A 2 7.247 -6.428 -0.264 1.00 64.13 N ATOM 0 H LYS A 2 5.614 -2.923 -3.308 1.00 23.33 H new ATOM 0 HA LYS A 2 6.727 -0.959 -1.417 1.00 23.52 H new ATOM 0 HB2 LYS A 2 7.932 -3.231 -3.044 1.00 1.44 H new ATOM 0 HB3 LYS A 2 8.893 -2.099 -2.112 1.00 1.44 H new ATOM 0 HG2 LYS A 2 7.781 -2.816 -0.036 1.00 70.40 H new ATOM 0 HG3 LYS A 2 6.731 -3.888 -0.942 1.00 70.40 H new ATOM 0 HD2 LYS A 2 9.623 -4.285 -1.472 1.00 71.22 H new ATOM 0 HD3 LYS A 2 9.146 -4.610 0.183 1.00 71.22 H new ATOM 0 HE2 LYS A 2 7.706 -5.782 -2.229 1.00 54.45 H new ATOM 0 HE3 LYS A 2 9.023 -6.596 -1.407 1.00 54.45 H new ATOM 0 HZ1 LYS A 2 7.105 -7.444 -0.433 1.00 64.13 H new ATOM 0 HZ2 LYS A 2 7.627 -6.286 0.693 1.00 64.13 H new ATOM 0 HZ3 LYS A 2 6.337 -5.932 -0.352 1.00 64.13 H new ATOM 40 N VAL A 3 7.888 0.549 -3.058 1.00 72.15 N ATOM 41 CA VAL A 3 8.335 1.555 -4.015 1.00 33.33 C ATOM 42 C VAL A 3 9.829 1.821 -3.874 1.00 0.43 C ATOM 43 O VAL A 3 10.357 1.883 -2.763 1.00 63.43 O ATOM 44 CB VAL A 3 7.569 2.879 -3.835 1.00 72.04 C ATOM 45 CG1 VAL A 3 7.517 3.648 -5.147 1.00 4.02 C ATOM 46 CG2 VAL A 3 6.167 2.616 -3.307 1.00 31.12 C ATOM 0 H VAL A 3 8.110 0.763 -2.086 1.00 72.15 H new ATOM 0 HA VAL A 3 8.132 1.159 -5.010 1.00 33.33 H new ATOM 0 HB VAL A 3 8.100 3.489 -3.104 1.00 72.04 H new ATOM 0 HG11 VAL A 3 6.972 4.581 -5.001 1.00 4.02 H new ATOM 0 HG12 VAL A 3 8.531 3.869 -5.480 1.00 4.02 H new ATOM 0 HG13 VAL A 3 7.010 3.046 -5.902 1.00 4.02 H new ATOM 0 HG21 VAL A 3 5.640 3.563 -3.186 1.00 31.12 H new ATOM 0 HG22 VAL A 3 5.625 1.987 -4.013 1.00 31.12 H new ATOM 0 HG23 VAL A 3 6.230 2.110 -2.344 1.00 31.12 H new ATOM 56 N TYR A 4 10.505 1.980 -5.006 1.00 23.10 N ATOM 57 CA TYR A 4 11.940 2.238 -5.009 1.00 43.44 C ATOM 58 C TYR A 4 12.265 3.499 -5.805 1.00 12.34 C ATOM 59 O TYR A 4 12.265 3.488 -7.036 1.00 1.33 O ATOM 60 CB TYR A 4 12.694 1.044 -5.597 1.00 34.44 C ATOM 61 CG TYR A 4 13.037 -0.017 -4.575 1.00 74.33 C ATOM 62 CD1 TYR A 4 12.151 -1.050 -4.293 1.00 2.13 C ATOM 63 CD2 TYR A 4 14.247 0.013 -3.894 1.00 21.34 C ATOM 64 CE1 TYR A 4 12.460 -2.021 -3.360 1.00 3.32 C ATOM 65 CE2 TYR A 4 14.565 -0.955 -2.960 1.00 43.22 C ATOM 66 CZ TYR A 4 13.668 -1.969 -2.696 1.00 45.04 C ATOM 67 OH TYR A 4 13.981 -2.935 -1.767 1.00 53.05 O ATOM 0 H TYR A 4 10.083 1.935 -5.933 1.00 23.10 H new ATOM 0 HA TYR A 4 12.258 2.388 -3.977 1.00 43.44 H new ATOM 0 HB2 TYR A 4 12.090 0.596 -6.385 1.00 34.44 H new ATOM 0 HB3 TYR A 4 13.613 1.399 -6.063 1.00 34.44 H new ATOM 0 HD1 TYR A 4 11.205 -1.094 -4.812 1.00 2.13 H new ATOM 0 HD2 TYR A 4 14.951 0.806 -4.098 1.00 21.34 H new ATOM 0 HE1 TYR A 4 11.760 -2.816 -3.152 1.00 3.32 H new ATOM 0 HE2 TYR A 4 15.511 -0.918 -2.440 1.00 43.22 H new ATOM 0 HH TYR A 4 14.868 -2.753 -1.392 1.00 53.05 H new ATOM 77 N VAL A 5 12.542 4.586 -5.091 1.00 53.11 N ATOM 78 CA VAL A 5 12.870 5.856 -5.728 1.00 60.23 C ATOM 79 C VAL A 5 14.345 6.197 -5.546 1.00 72.23 C ATOM 80 O VAL A 5 14.770 6.602 -4.466 1.00 3.15 O ATOM 81 CB VAL A 5 12.015 7.005 -5.163 1.00 0.34 C ATOM 82 CG1 VAL A 5 10.589 6.917 -5.684 1.00 71.30 C ATOM 83 CG2 VAL A 5 12.038 6.987 -3.642 1.00 35.13 C ATOM 0 H VAL A 5 12.546 4.612 -4.071 1.00 53.11 H new ATOM 0 HA VAL A 5 12.655 5.742 -6.790 1.00 60.23 H new ATOM 0 HB VAL A 5 12.441 7.950 -5.499 1.00 0.34 H new ATOM 0 HG11 VAL A 5 10.000 7.737 -5.274 1.00 71.30 H new ATOM 0 HG12 VAL A 5 10.594 6.983 -6.772 1.00 71.30 H new ATOM 0 HG13 VAL A 5 10.149 5.967 -5.380 1.00 71.30 H new ATOM 0 HG21 VAL A 5 11.429 7.806 -3.259 1.00 35.13 H new ATOM 0 HG22 VAL A 5 11.638 6.039 -3.283 1.00 35.13 H new ATOM 0 HG23 VAL A 5 13.064 7.104 -3.292 1.00 35.13 H new ATOM 93 N GLY A 6 15.121 6.030 -6.613 1.00 23.02 N ATOM 94 CA GLY A 6 16.541 6.325 -6.550 1.00 52.13 C ATOM 95 C GLY A 6 16.963 7.362 -7.572 1.00 70.13 C ATOM 96 O GLY A 6 16.136 8.124 -8.071 1.00 60.21 O ATOM 0 H GLY A 6 14.792 5.696 -7.519 1.00 23.02 H new ATOM 0 HA2 GLY A 6 16.791 6.681 -5.551 1.00 52.13 H new ATOM 0 HA3 GLY A 6 17.107 5.408 -6.712 1.00 52.13 H new ATOM 100 N ASN A 7 18.255 7.392 -7.883 1.00 72.05 N ATOM 101 CA ASN A 7 18.786 8.345 -8.851 1.00 52.12 C ATOM 102 C ASN A 7 18.599 9.778 -8.362 1.00 4.10 C ATOM 103 O ASN A 7 17.847 10.555 -8.952 1.00 62.43 O ATOM 104 CB ASN A 7 18.099 8.164 -10.206 1.00 62.34 C ATOM 105 CG ASN A 7 18.849 7.204 -11.111 1.00 10.54 C ATOM 106 OD1 ASN A 7 19.410 7.606 -12.130 1.00 62.54 O ATOM 107 ND2 ASN A 7 18.861 5.929 -10.740 1.00 2.41 N ATOM 0 H ASN A 7 18.953 6.768 -7.479 1.00 72.05 H new ATOM 0 HA ASN A 7 19.853 8.154 -8.963 1.00 52.12 H new ATOM 0 HB2 ASN A 7 17.085 7.795 -10.050 1.00 62.34 H new ATOM 0 HB3 ASN A 7 18.013 9.132 -10.699 1.00 62.34 H new ATOM 0 HD21 ASN A 7 19.349 5.237 -11.308 1.00 2.41 H new ATOM 0 HD22 ASN A 7 18.382 5.642 -9.887 1.00 2.41 H new ATOM 114 N LEU A 8 19.289 10.122 -7.280 1.00 44.43 N ATOM 115 CA LEU A 8 19.201 11.463 -6.711 1.00 23.30 C ATOM 116 C LEU A 8 20.441 12.282 -7.053 1.00 42.33 C ATOM 117 O LEU A 8 21.123 12.796 -6.167 1.00 72.40 O ATOM 118 CB LEU A 8 19.032 11.383 -5.193 1.00 14.12 C ATOM 119 CG LEU A 8 18.149 10.247 -4.675 1.00 13.33 C ATOM 120 CD1 LEU A 8 17.952 10.367 -3.171 1.00 41.34 C ATOM 121 CD2 LEU A 8 16.806 10.246 -5.391 1.00 64.15 C ATOM 0 H LEU A 8 19.915 9.492 -6.779 1.00 44.43 H new ATOM 0 HA LEU A 8 18.331 11.958 -7.142 1.00 23.30 H new ATOM 0 HB2 LEU A 8 20.019 11.283 -4.742 1.00 14.12 H new ATOM 0 HB3 LEU A 8 18.616 12.328 -4.843 1.00 14.12 H new ATOM 0 HG LEU A 8 18.650 9.301 -4.882 1.00 13.33 H new ATOM 0 HD11 LEU A 8 17.321 9.550 -2.820 1.00 41.34 H new ATOM 0 HD12 LEU A 8 18.920 10.318 -2.672 1.00 41.34 H new ATOM 0 HD13 LEU A 8 17.474 11.319 -2.942 1.00 41.34 H new ATOM 0 HD21 LEU A 8 16.191 9.431 -5.010 1.00 64.15 H new ATOM 0 HD22 LEU A 8 16.300 11.195 -5.216 1.00 64.15 H new ATOM 0 HD23 LEU A 8 16.964 10.111 -6.461 1.00 64.15 H new ATOM 133 N GLY A 9 20.727 12.403 -8.346 1.00 74.35 N ATOM 134 CA GLY A 9 21.883 13.163 -8.783 1.00 51.03 C ATOM 135 C GLY A 9 21.500 14.391 -9.585 1.00 1.30 C ATOM 136 O GLY A 9 21.700 14.437 -10.799 1.00 54.24 O ATOM 0 H GLY A 9 20.178 11.988 -9.099 1.00 74.35 H new ATOM 0 HA2 GLY A 9 22.464 13.468 -7.912 1.00 51.03 H new ATOM 0 HA3 GLY A 9 22.527 12.524 -9.388 1.00 51.03 H new ATOM 140 N THR A 10 20.946 15.391 -8.905 1.00 62.24 N ATOM 141 CA THR A 10 20.532 16.624 -9.562 1.00 54.00 C ATOM 142 C THR A 10 19.890 17.586 -8.569 1.00 54.44 C ATOM 143 O THR A 10 20.001 18.804 -8.709 1.00 61.41 O ATOM 144 CB THR A 10 19.538 16.345 -10.705 1.00 53.13 C ATOM 145 OG1 THR A 10 18.957 17.573 -11.160 1.00 64.54 O ATOM 146 CG2 THR A 10 18.439 15.398 -10.248 1.00 71.40 C ATOM 0 H THR A 10 20.774 15.370 -7.900 1.00 62.24 H new ATOM 0 HA THR A 10 21.432 17.080 -9.976 1.00 54.00 H new ATOM 0 HB THR A 10 20.083 15.876 -11.524 1.00 53.13 H new ATOM 0 HG1 THR A 10 18.327 17.387 -11.888 1.00 64.54 H new ATOM 0 HG21 THR A 10 17.749 15.216 -11.072 1.00 71.40 H new ATOM 0 HG22 THR A 10 18.881 14.454 -9.930 1.00 71.40 H new ATOM 0 HG23 THR A 10 17.898 15.844 -9.414 1.00 71.40 H new ATOM 154 N GLY A 11 19.217 17.032 -7.565 1.00 50.31 N ATOM 155 CA GLY A 11 18.567 17.857 -6.563 1.00 24.10 C ATOM 156 C GLY A 11 17.200 17.329 -6.176 1.00 2.44 C ATOM 157 O GLY A 11 16.285 18.103 -5.898 1.00 12.55 O ATOM 0 H GLY A 11 19.110 16.027 -7.428 1.00 50.31 H new ATOM 0 HA2 GLY A 11 19.197 17.910 -5.675 1.00 24.10 H new ATOM 0 HA3 GLY A 11 18.466 18.874 -6.943 1.00 24.10 H new ATOM 161 N ALA A 12 17.060 16.008 -6.159 1.00 24.11 N ATOM 162 CA ALA A 12 15.795 15.378 -5.803 1.00 22.14 C ATOM 163 C ALA A 12 15.999 14.293 -4.751 1.00 21.22 C ATOM 164 O ALA A 12 16.490 13.206 -5.053 1.00 71.02 O ATOM 165 CB ALA A 12 15.128 14.797 -7.040 1.00 52.15 C ATOM 0 H ALA A 12 17.808 15.353 -6.388 1.00 24.11 H new ATOM 0 HA ALA A 12 15.144 16.142 -5.378 1.00 22.14 H new ATOM 0 HB1 ALA A 12 14.184 14.330 -6.759 1.00 52.15 H new ATOM 0 HB2 ALA A 12 14.938 15.594 -7.759 1.00 52.15 H new ATOM 0 HB3 ALA A 12 15.783 14.051 -7.490 1.00 52.15 H new ATOM 171 N GLY A 13 15.619 14.596 -3.513 1.00 64.20 N ATOM 172 CA GLY A 13 15.770 13.636 -2.435 1.00 72.21 C ATOM 173 C GLY A 13 14.460 13.346 -1.730 1.00 73.20 C ATOM 174 O GLY A 13 13.459 13.022 -2.370 1.00 63.25 O ATOM 0 H GLY A 13 15.210 15.489 -3.238 1.00 64.20 H new ATOM 0 HA2 GLY A 13 16.178 12.707 -2.834 1.00 72.21 H new ATOM 0 HA3 GLY A 13 16.492 14.016 -1.712 1.00 72.21 H new ATOM 178 N LYS A 14 14.464 13.460 -0.406 1.00 40.53 N ATOM 179 CA LYS A 14 13.268 13.208 0.388 1.00 54.10 C ATOM 180 C LYS A 14 12.186 14.240 0.085 1.00 32.11 C ATOM 181 O LYS A 14 11.034 13.890 -0.169 1.00 21.22 O ATOM 182 CB LYS A 14 13.607 13.232 1.880 1.00 34.11 C ATOM 183 CG LYS A 14 12.855 12.191 2.691 1.00 13.04 C ATOM 184 CD LYS A 14 13.350 12.139 4.127 1.00 34.21 C ATOM 185 CE LYS A 14 12.277 11.612 5.068 1.00 54.03 C ATOM 186 NZ LYS A 14 12.789 10.515 5.934 1.00 32.24 N ATOM 0 H LYS A 14 15.284 13.726 0.140 1.00 40.53 H new ATOM 0 HA LYS A 14 12.888 12.221 0.124 1.00 54.10 H new ATOM 0 HB2 LYS A 14 14.678 13.072 2.003 1.00 34.11 H new ATOM 0 HB3 LYS A 14 13.384 14.222 2.279 1.00 34.11 H new ATOM 0 HG2 LYS A 14 11.789 12.420 2.681 1.00 13.04 H new ATOM 0 HG3 LYS A 14 12.975 11.211 2.228 1.00 13.04 H new ATOM 0 HD2 LYS A 14 14.232 11.501 4.186 1.00 34.21 H new ATOM 0 HD3 LYS A 14 13.656 13.136 4.444 1.00 34.21 H new ATOM 0 HE2 LYS A 14 11.910 12.426 5.693 1.00 54.03 H new ATOM 0 HE3 LYS A 14 11.430 11.250 4.486 1.00 54.03 H new ATOM 0 HZ1 LYS A 14 12.028 10.183 6.560 1.00 32.24 H new ATOM 0 HZ2 LYS A 14 13.116 9.727 5.339 1.00 32.24 H new ATOM 0 HZ3 LYS A 14 13.581 10.867 6.508 1.00 32.24 H new ATOM 200 N GLY A 15 12.565 15.514 0.112 1.00 1.14 N ATOM 201 CA GLY A 15 11.616 16.577 -0.162 1.00 73.34 C ATOM 202 C GLY A 15 11.014 16.472 -1.550 1.00 33.15 C ATOM 203 O GLY A 15 9.806 16.632 -1.722 1.00 32.50 O ATOM 0 H GLY A 15 13.513 15.829 0.319 1.00 1.14 H new ATOM 0 HA2 GLY A 15 10.818 16.548 0.580 1.00 73.34 H new ATOM 0 HA3 GLY A 15 12.114 17.541 -0.057 1.00 73.34 H new ATOM 207 N GLU A 16 11.858 16.205 -2.541 1.00 21.41 N ATOM 208 CA GLU A 16 11.401 16.082 -3.920 1.00 63.42 C ATOM 209 C GLU A 16 10.433 14.912 -4.070 1.00 54.24 C ATOM 210 O GLU A 16 9.291 15.088 -4.498 1.00 33.14 O ATOM 211 CB GLU A 16 12.594 15.895 -4.861 1.00 34.51 C ATOM 212 CG GLU A 16 12.693 16.963 -5.937 1.00 24.40 C ATOM 213 CD GLU A 16 11.543 16.906 -6.924 1.00 25.32 C ATOM 214 OE1 GLU A 16 11.361 15.849 -7.563 1.00 31.54 O ATOM 215 OE2 GLU A 16 10.826 17.919 -7.057 1.00 11.33 O ATOM 0 H GLU A 16 12.861 16.070 -2.415 1.00 21.41 H new ATOM 0 HA GLU A 16 10.878 17.000 -4.186 1.00 63.42 H new ATOM 0 HB2 GLU A 16 13.513 15.896 -4.274 1.00 34.51 H new ATOM 0 HB3 GLU A 16 12.521 14.917 -5.337 1.00 34.51 H new ATOM 0 HG2 GLU A 16 12.715 17.946 -5.467 1.00 24.40 H new ATOM 0 HG3 GLU A 16 13.634 16.846 -6.474 1.00 24.40 H new ATOM 222 N LEU A 17 10.896 13.719 -3.717 1.00 23.41 N ATOM 223 CA LEU A 17 10.072 12.519 -3.812 1.00 61.32 C ATOM 224 C LEU A 17 8.815 12.652 -2.959 1.00 53.52 C ATOM 225 O LEU A 17 7.766 12.101 -3.292 1.00 44.01 O ATOM 226 CB LEU A 17 10.872 11.291 -3.373 1.00 73.33 C ATOM 227 CG LEU A 17 10.868 10.988 -1.874 1.00 71.15 C ATOM 228 CD1 LEU A 17 9.680 10.111 -1.510 1.00 61.11 C ATOM 229 CD2 LEU A 17 12.172 10.321 -1.462 1.00 0.12 C ATOM 0 H LEU A 17 11.838 13.556 -3.362 1.00 23.41 H new ATOM 0 HA LEU A 17 9.771 12.397 -4.853 1.00 61.32 H new ATOM 0 HB2 LEU A 17 10.482 10.420 -3.900 1.00 73.33 H new ATOM 0 HB3 LEU A 17 11.905 11.422 -3.694 1.00 73.33 H new ATOM 0 HG LEU A 17 10.778 11.930 -1.332 1.00 71.15 H new ATOM 0 HD11 LEU A 17 9.694 9.906 -0.440 1.00 61.11 H new ATOM 0 HD12 LEU A 17 8.755 10.626 -1.769 1.00 61.11 H new ATOM 0 HD13 LEU A 17 9.739 9.172 -2.060 1.00 61.11 H new ATOM 0 HD21 LEU A 17 12.152 10.113 -0.392 1.00 0.12 H new ATOM 0 HD22 LEU A 17 12.293 9.387 -2.011 1.00 0.12 H new ATOM 0 HD23 LEU A 17 13.007 10.985 -1.687 1.00 0.12 H new ATOM 241 N GLU A 18 8.928 13.390 -1.859 1.00 52.21 N ATOM 242 CA GLU A 18 7.799 13.597 -0.960 1.00 10.34 C ATOM 243 C GLU A 18 6.707 14.420 -1.637 1.00 71.35 C ATOM 244 O GLU A 18 5.532 14.051 -1.614 1.00 5.12 O ATOM 245 CB GLU A 18 8.260 14.298 0.320 1.00 31.33 C ATOM 246 CG GLU A 18 7.125 14.633 1.273 1.00 12.21 C ATOM 247 CD GLU A 18 7.585 14.742 2.714 1.00 63.12 C ATOM 248 OE1 GLU A 18 7.796 13.688 3.350 1.00 61.23 O ATOM 249 OE2 GLU A 18 7.735 15.880 3.205 1.00 33.13 O ATOM 0 H GLU A 18 9.789 13.854 -1.569 1.00 52.21 H new ATOM 0 HA GLU A 18 7.388 12.620 -0.704 1.00 10.34 H new ATOM 0 HB2 GLU A 18 8.979 13.661 0.835 1.00 31.33 H new ATOM 0 HB3 GLU A 18 8.782 15.217 0.053 1.00 31.33 H new ATOM 0 HG2 GLU A 18 6.667 15.574 0.970 1.00 12.21 H new ATOM 0 HG3 GLU A 18 6.355 13.865 1.199 1.00 12.21 H new ATOM 256 N ARG A 19 7.103 15.536 -2.240 1.00 61.13 N ATOM 257 CA ARG A 19 6.159 16.412 -2.923 1.00 52.02 C ATOM 258 C ARG A 19 5.474 15.681 -4.075 1.00 2.34 C ATOM 259 O ARG A 19 4.261 15.781 -4.252 1.00 35.13 O ATOM 260 CB ARG A 19 6.875 17.657 -3.449 1.00 54.52 C ATOM 261 CG ARG A 19 6.005 18.529 -4.340 1.00 52.21 C ATOM 262 CD ARG A 19 6.793 19.693 -4.921 1.00 15.12 C ATOM 263 NE ARG A 19 6.850 19.642 -6.379 1.00 73.12 N ATOM 264 CZ ARG A 19 5.872 20.072 -7.169 1.00 35.44 C ATOM 265 NH1 ARG A 19 4.767 20.582 -6.643 1.00 14.03 N ATOM 266 NH2 ARG A 19 5.998 19.992 -8.487 1.00 73.40 N ATOM 0 H ARG A 19 8.071 15.855 -2.269 1.00 61.13 H new ATOM 0 HA ARG A 19 5.398 16.715 -2.204 1.00 52.02 H new ATOM 0 HB2 ARG A 19 7.223 18.250 -2.603 1.00 54.52 H new ATOM 0 HB3 ARG A 19 7.759 17.349 -4.008 1.00 54.52 H new ATOM 0 HG2 ARG A 19 5.593 17.927 -5.150 1.00 52.21 H new ATOM 0 HG3 ARG A 19 5.161 18.910 -3.765 1.00 52.21 H new ATOM 0 HD2 ARG A 19 6.336 20.632 -4.609 1.00 15.12 H new ATOM 0 HD3 ARG A 19 7.806 19.682 -4.518 1.00 15.12 H new ATOM 0 HE ARG A 19 7.687 19.255 -6.815 1.00 73.12 H new ATOM 0 HH11 ARG A 19 4.666 20.645 -5.630 1.00 14.03 H new ATOM 0 HH12 ARG A 19 4.018 20.911 -7.251 1.00 14.03 H new ATOM 0 HH21 ARG A 19 6.847 19.600 -8.895 1.00 73.40 H new ATOM 0 HH22 ARG A 19 5.246 20.322 -9.092 1.00 73.40 H new ATOM 280 N ALA A 20 6.261 14.948 -4.855 1.00 25.25 N ATOM 281 CA ALA A 20 5.731 14.199 -5.988 1.00 3.55 C ATOM 282 C ALA A 20 4.750 13.127 -5.526 1.00 42.14 C ATOM 283 O ALA A 20 3.569 13.162 -5.872 1.00 10.31 O ATOM 284 CB ALA A 20 6.866 13.572 -6.783 1.00 43.23 C ATOM 0 H ALA A 20 7.268 14.857 -4.723 1.00 25.25 H new ATOM 0 HA ALA A 20 5.192 14.894 -6.632 1.00 3.55 H new ATOM 0 HB1 ALA A 20 6.456 13.016 -7.626 1.00 43.23 H new ATOM 0 HB2 ALA A 20 7.528 14.356 -7.153 1.00 43.23 H new ATOM 0 HB3 ALA A 20 7.429 12.895 -6.141 1.00 43.23 H new ATOM 290 N PHE A 21 5.247 12.174 -4.745 1.00 32.11 N ATOM 291 CA PHE A 21 4.414 11.090 -4.238 1.00 32.22 C ATOM 292 C PHE A 21 3.156 11.637 -3.569 1.00 41.34 C ATOM 293 O PHE A 21 2.039 11.259 -3.920 1.00 74.53 O ATOM 294 CB PHE A 21 5.202 10.235 -3.244 1.00 22.44 C ATOM 295 CG PHE A 21 5.948 9.101 -3.888 1.00 35.34 C ATOM 296 CD1 PHE A 21 6.983 9.350 -4.774 1.00 21.53 C ATOM 297 CD2 PHE A 21 5.612 7.786 -3.607 1.00 22.10 C ATOM 298 CE1 PHE A 21 7.671 8.308 -5.368 1.00 4.42 C ATOM 299 CE2 PHE A 21 6.297 6.741 -4.198 1.00 21.24 C ATOM 300 CZ PHE A 21 7.327 7.002 -5.080 1.00 0.30 C ATOM 0 H PHE A 21 6.222 12.130 -4.449 1.00 32.11 H new ATOM 0 HA PHE A 21 4.115 10.470 -5.083 1.00 32.22 H new ATOM 0 HB2 PHE A 21 5.911 10.870 -2.713 1.00 22.44 H new ATOM 0 HB3 PHE A 21 4.515 9.831 -2.500 1.00 22.44 H new ATOM 0 HD1 PHE A 21 7.256 10.369 -5.004 1.00 21.53 H new ATOM 0 HD2 PHE A 21 4.806 7.576 -2.919 1.00 22.10 H new ATOM 0 HE1 PHE A 21 8.477 8.515 -6.057 1.00 4.42 H new ATOM 0 HE2 PHE A 21 6.027 5.721 -3.970 1.00 21.24 H new ATOM 0 HZ PHE A 21 7.862 6.187 -5.544 1.00 0.30 H new ATOM 310 N SER A 22 3.347 12.531 -2.604 1.00 23.41 N ATOM 311 CA SER A 22 2.229 13.128 -1.883 1.00 25.45 C ATOM 312 C SER A 22 1.220 13.736 -2.852 1.00 5.24 C ATOM 313 O SER A 22 0.012 13.559 -2.699 1.00 54.11 O ATOM 314 CB SER A 22 2.734 14.199 -0.914 1.00 51.21 C ATOM 315 OG SER A 22 1.657 14.946 -0.374 1.00 24.55 O ATOM 0 H SER A 22 4.265 12.858 -2.304 1.00 23.41 H new ATOM 0 HA SER A 22 1.732 12.341 -1.316 1.00 25.45 H new ATOM 0 HB2 SER A 22 3.295 13.728 -0.107 1.00 51.21 H new ATOM 0 HB3 SER A 22 3.421 14.868 -1.432 1.00 51.21 H new ATOM 0 HG SER A 22 2.005 15.623 0.243 1.00 24.55 H new ATOM 321 N TYR A 23 1.726 14.454 -3.848 1.00 61.14 N ATOM 322 CA TYR A 23 0.870 15.092 -4.842 1.00 23.51 C ATOM 323 C TYR A 23 -0.028 14.066 -5.526 1.00 63.54 C ATOM 324 O TYR A 23 -1.232 14.276 -5.671 1.00 32.02 O ATOM 325 CB TYR A 23 1.719 15.819 -5.885 1.00 44.44 C ATOM 326 CG TYR A 23 1.857 17.303 -5.627 1.00 35.23 C ATOM 327 CD1 TYR A 23 2.136 17.783 -4.353 1.00 42.35 C ATOM 328 CD2 TYR A 23 1.707 18.224 -6.656 1.00 62.03 C ATOM 329 CE1 TYR A 23 2.261 19.138 -4.113 1.00 24.33 C ATOM 330 CE2 TYR A 23 1.832 19.580 -6.425 1.00 43.20 C ATOM 331 CZ TYR A 23 2.109 20.032 -5.152 1.00 11.14 C ATOM 332 OH TYR A 23 2.234 21.382 -4.916 1.00 43.11 O ATOM 0 H TYR A 23 2.724 14.609 -3.989 1.00 61.14 H new ATOM 0 HA TYR A 23 0.238 15.817 -4.329 1.00 23.51 H new ATOM 0 HB2 TYR A 23 2.712 15.369 -5.910 1.00 44.44 H new ATOM 0 HB3 TYR A 23 1.276 15.670 -6.870 1.00 44.44 H new ATOM 0 HD1 TYR A 23 2.257 17.086 -3.537 1.00 42.35 H new ATOM 0 HD2 TYR A 23 1.489 17.874 -7.654 1.00 62.03 H new ATOM 0 HE1 TYR A 23 2.477 19.495 -3.117 1.00 24.33 H new ATOM 0 HE2 TYR A 23 1.713 20.282 -7.237 1.00 43.20 H new ATOM 0 HH TYR A 23 2.099 21.874 -5.753 1.00 43.11 H new ATOM 342 N TYR A 24 0.568 12.955 -5.945 1.00 73.55 N ATOM 343 CA TYR A 24 -0.176 11.895 -6.617 1.00 13.24 C ATOM 344 C TYR A 24 -1.087 11.163 -5.635 1.00 50.45 C ATOM 345 O TYR A 24 -2.134 10.640 -6.014 1.00 51.44 O ATOM 346 CB TYR A 24 0.786 10.904 -7.273 1.00 4.03 C ATOM 347 CG TYR A 24 1.339 11.382 -8.597 1.00 15.14 C ATOM 348 CD1 TYR A 24 2.074 12.558 -8.681 1.00 62.42 C ATOM 349 CD2 TYR A 24 1.125 10.657 -9.763 1.00 2.42 C ATOM 350 CE1 TYR A 24 2.580 12.998 -9.889 1.00 12.42 C ATOM 351 CE2 TYR A 24 1.628 11.090 -10.975 1.00 23.14 C ATOM 352 CZ TYR A 24 2.354 12.261 -11.033 1.00 5.15 C ATOM 353 OH TYR A 24 2.858 12.696 -12.237 1.00 53.12 O ATOM 0 H TYR A 24 1.564 12.765 -5.831 1.00 73.55 H new ATOM 0 HA TYR A 24 -0.795 12.353 -7.388 1.00 13.24 H new ATOM 0 HB2 TYR A 24 1.614 10.710 -6.592 1.00 4.03 H new ATOM 0 HB3 TYR A 24 0.270 9.956 -7.425 1.00 4.03 H new ATOM 0 HD1 TYR A 24 2.253 13.138 -7.787 1.00 62.42 H new ATOM 0 HD2 TYR A 24 0.556 9.740 -9.721 1.00 2.42 H new ATOM 0 HE1 TYR A 24 3.150 13.914 -9.937 1.00 12.42 H new ATOM 0 HE2 TYR A 24 1.453 10.514 -11.872 1.00 23.14 H new ATOM 0 HH TYR A 24 2.611 12.063 -12.943 1.00 53.12 H new ATOM 363 N GLY A 25 -0.679 11.132 -4.370 1.00 72.43 N ATOM 364 CA GLY A 25 -1.469 10.463 -3.353 1.00 22.40 C ATOM 365 C GLY A 25 -0.687 10.224 -2.076 1.00 72.44 C ATOM 366 O GLY A 25 0.544 10.200 -2.072 1.00 72.21 O ATOM 0 H GLY A 25 0.184 11.558 -4.032 1.00 72.43 H new ATOM 0 HA2 GLY A 25 -2.351 11.063 -3.129 1.00 22.40 H new ATOM 0 HA3 GLY A 25 -1.824 9.509 -3.742 1.00 22.40 H new ATOM 370 N PRO A 26 -1.409 10.043 -0.961 1.00 35.23 N ATOM 371 CA PRO A 26 -0.796 9.803 0.349 1.00 73.51 C ATOM 372 C PRO A 26 -0.136 8.431 0.437 1.00 62.00 C ATOM 373 O PRO A 26 -0.811 7.402 0.397 1.00 60.43 O ATOM 374 CB PRO A 26 -1.980 9.889 1.316 1.00 42.11 C ATOM 375 CG PRO A 26 -3.170 9.541 0.490 1.00 0.30 C ATOM 376 CD PRO A 26 -2.880 10.058 -0.892 1.00 53.30 C ATOM 0 HA PRO A 26 -0.000 10.516 0.563 1.00 73.51 H new ATOM 0 HB2 PRO A 26 -1.861 9.197 2.150 1.00 42.11 H new ATOM 0 HB3 PRO A 26 -2.072 10.888 1.741 1.00 42.11 H new ATOM 0 HG2 PRO A 26 -3.335 8.464 0.477 1.00 0.30 H new ATOM 0 HG3 PRO A 26 -4.073 9.997 0.896 1.00 0.30 H new ATOM 0 HD2 PRO A 26 -3.325 9.424 -1.659 1.00 53.30 H new ATOM 0 HD3 PRO A 26 -3.279 11.062 -1.037 1.00 53.30 H new ATOM 384 N LEU A 27 1.187 8.423 0.558 1.00 41.44 N ATOM 385 CA LEU A 27 1.940 7.177 0.652 1.00 13.21 C ATOM 386 C LEU A 27 2.005 6.688 2.096 1.00 53.55 C ATOM 387 O LEU A 27 1.716 7.438 3.029 1.00 63.04 O ATOM 388 CB LEU A 27 3.354 7.370 0.103 1.00 62.24 C ATOM 389 CG LEU A 27 4.186 8.471 0.761 1.00 53.54 C ATOM 390 CD1 LEU A 27 4.797 7.974 2.061 1.00 12.24 C ATOM 391 CD2 LEU A 27 5.271 8.960 -0.188 1.00 73.53 C ATOM 0 H LEU A 27 1.761 9.266 0.593 1.00 41.44 H new ATOM 0 HA LEU A 27 1.425 6.424 0.055 1.00 13.21 H new ATOM 0 HB2 LEU A 27 3.892 6.427 0.202 1.00 62.24 H new ATOM 0 HB3 LEU A 27 3.282 7.585 -0.963 1.00 62.24 H new ATOM 0 HG LEU A 27 3.527 9.309 0.990 1.00 53.54 H new ATOM 0 HD11 LEU A 27 5.386 8.771 2.515 1.00 12.24 H new ATOM 0 HD12 LEU A 27 4.003 7.675 2.745 1.00 12.24 H new ATOM 0 HD13 LEU A 27 5.441 7.119 1.857 1.00 12.24 H new ATOM 0 HD21 LEU A 27 5.853 9.743 0.297 1.00 73.53 H new ATOM 0 HD22 LEU A 27 5.927 8.130 -0.449 1.00 73.53 H new ATOM 0 HD23 LEU A 27 4.811 9.358 -1.093 1.00 73.53 H new ATOM 403 N ARG A 28 2.387 5.428 2.271 1.00 24.03 N ATOM 404 CA ARG A 28 2.492 4.840 3.601 1.00 35.51 C ATOM 405 C ARG A 28 3.625 5.484 4.394 1.00 62.15 C ATOM 406 O ARG A 28 3.422 5.970 5.507 1.00 71.13 O ATOM 407 CB ARG A 28 2.721 3.331 3.498 1.00 74.51 C ATOM 408 CG ARG A 28 1.713 2.506 4.282 1.00 13.42 C ATOM 409 CD ARG A 28 2.219 2.191 5.681 1.00 12.42 C ATOM 410 NE ARG A 28 2.240 3.376 6.535 1.00 1.01 N ATOM 411 CZ ARG A 28 2.680 3.371 7.788 1.00 23.34 C ATOM 412 NH1 ARG A 28 3.134 2.249 8.330 1.00 32.15 N ATOM 413 NH2 ARG A 28 2.668 4.489 8.502 1.00 50.30 N ATOM 0 H ARG A 28 2.629 4.794 1.509 1.00 24.03 H new ATOM 0 HA ARG A 28 1.555 5.024 4.126 1.00 35.51 H new ATOM 0 HB2 ARG A 28 2.681 3.037 2.449 1.00 74.51 H new ATOM 0 HB3 ARG A 28 3.724 3.099 3.856 1.00 74.51 H new ATOM 0 HG2 ARG A 28 0.770 3.049 4.349 1.00 13.42 H new ATOM 0 HG3 ARG A 28 1.509 1.577 3.750 1.00 13.42 H new ATOM 0 HD2 ARG A 28 1.584 1.429 6.133 1.00 12.42 H new ATOM 0 HD3 ARG A 28 3.223 1.772 5.618 1.00 12.42 H new ATOM 0 HE ARG A 28 1.898 4.255 6.148 1.00 1.01 H new ATOM 0 HH11 ARG A 28 3.146 1.387 7.784 1.00 32.15 H new ATOM 0 HH12 ARG A 28 3.471 2.248 9.293 1.00 32.15 H new ATOM 0 HH21 ARG A 28 2.320 5.354 8.089 1.00 50.30 H new ATOM 0 HH22 ARG A 28 3.006 4.483 9.464 1.00 50.30 H new ATOM 427 N THR A 29 4.821 5.484 3.813 1.00 60.05 N ATOM 428 CA THR A 29 5.987 6.066 4.464 1.00 3.41 C ATOM 429 C THR A 29 7.134 6.251 3.477 1.00 71.23 C ATOM 430 O THR A 29 7.245 5.517 2.495 1.00 62.42 O ATOM 431 CB THR A 29 6.470 5.193 5.637 1.00 25.50 C ATOM 432 OG1 THR A 29 6.068 3.833 5.434 1.00 53.52 O ATOM 433 CG2 THR A 29 5.911 5.701 6.957 1.00 74.30 C ATOM 0 H THR A 29 5.007 5.087 2.892 1.00 60.05 H new ATOM 0 HA THR A 29 5.681 7.039 4.847 1.00 3.41 H new ATOM 0 HB THR A 29 7.558 5.248 5.677 1.00 25.50 H new ATOM 0 HG1 THR A 29 6.380 3.284 6.183 1.00 53.52 H new ATOM 0 HG21 THR A 29 6.266 5.068 7.770 1.00 74.30 H new ATOM 0 HG22 THR A 29 6.244 6.726 7.123 1.00 74.30 H new ATOM 0 HG23 THR A 29 4.822 5.674 6.925 1.00 74.30 H new ATOM 441 N VAL A 30 7.986 7.236 3.743 1.00 32.24 N ATOM 442 CA VAL A 30 9.126 7.516 2.879 1.00 71.43 C ATOM 443 C VAL A 30 10.440 7.190 3.579 1.00 21.44 C ATOM 444 O VAL A 30 10.566 7.356 4.793 1.00 70.54 O ATOM 445 CB VAL A 30 9.145 8.990 2.435 1.00 4.52 C ATOM 446 CG1 VAL A 30 9.091 9.912 3.644 1.00 43.42 C ATOM 447 CG2 VAL A 30 10.378 9.276 1.591 1.00 3.31 C ATOM 0 H VAL A 30 7.908 7.854 4.551 1.00 32.24 H new ATOM 0 HA VAL A 30 9.020 6.881 2.000 1.00 71.43 H new ATOM 0 HB VAL A 30 8.263 9.179 1.824 1.00 4.52 H new ATOM 0 HG11 VAL A 30 9.105 10.950 3.311 1.00 43.42 H new ATOM 0 HG12 VAL A 30 8.176 9.723 4.205 1.00 43.42 H new ATOM 0 HG13 VAL A 30 9.953 9.724 4.284 1.00 43.42 H new ATOM 0 HG21 VAL A 30 10.375 10.322 1.286 1.00 3.31 H new ATOM 0 HG22 VAL A 30 11.275 9.071 2.176 1.00 3.31 H new ATOM 0 HG23 VAL A 30 10.369 8.640 0.706 1.00 3.31 H new ATOM 457 N TRP A 31 11.416 6.726 2.808 1.00 61.45 N ATOM 458 CA TRP A 31 12.722 6.376 3.355 1.00 43.55 C ATOM 459 C TRP A 31 13.835 6.733 2.376 1.00 44.25 C ATOM 460 O TRP A 31 13.686 6.568 1.165 1.00 74.05 O ATOM 461 CB TRP A 31 12.777 4.884 3.686 1.00 11.33 C ATOM 462 CG TRP A 31 13.734 4.556 4.792 1.00 42.22 C ATOM 463 CD1 TRP A 31 13.495 4.638 6.134 1.00 63.20 C ATOM 464 CD2 TRP A 31 15.083 4.097 4.649 1.00 34.45 C ATOM 465 NE1 TRP A 31 14.614 4.256 6.835 1.00 41.54 N ATOM 466 CE2 TRP A 31 15.601 3.919 5.947 1.00 24.01 C ATOM 467 CE3 TRP A 31 15.902 3.816 3.553 1.00 74.24 C ATOM 468 CZ2 TRP A 31 16.901 3.475 6.174 1.00 22.14 C ATOM 469 CZ3 TRP A 31 17.192 3.375 3.780 1.00 54.51 C ATOM 470 CH2 TRP A 31 17.681 3.208 5.082 1.00 20.31 C ATOM 0 H TRP A 31 11.328 6.583 1.802 1.00 61.45 H new ATOM 0 HA TRP A 31 12.870 6.949 4.270 1.00 43.55 H new ATOM 0 HB2 TRP A 31 11.780 4.544 3.965 1.00 11.33 H new ATOM 0 HB3 TRP A 31 13.063 4.331 2.791 1.00 11.33 H new ATOM 0 HD1 TRP A 31 12.564 4.956 6.579 1.00 63.20 H new ATOM 0 HE1 TRP A 31 14.696 4.228 7.851 1.00 41.54 H new ATOM 0 HE3 TRP A 31 15.534 3.941 2.546 1.00 74.24 H new ATOM 0 HZ2 TRP A 31 17.280 3.346 7.177 1.00 22.14 H new ATOM 0 HZ3 TRP A 31 17.834 3.155 2.940 1.00 54.51 H new ATOM 0 HH2 TRP A 31 18.694 2.862 5.227 1.00 20.31 H new ATOM 481 N ILE A 32 14.951 7.222 2.907 1.00 14.40 N ATOM 482 CA ILE A 32 16.089 7.601 2.079 1.00 71.31 C ATOM 483 C ILE A 32 17.319 6.768 2.422 1.00 62.43 C ATOM 484 O ILE A 32 17.559 6.445 3.585 1.00 53.31 O ATOM 485 CB ILE A 32 16.432 9.093 2.241 1.00 10.34 C ATOM 486 CG1 ILE A 32 15.265 9.962 1.768 1.00 72.25 C ATOM 487 CG2 ILE A 32 17.699 9.433 1.471 1.00 71.55 C ATOM 488 CD1 ILE A 32 15.044 9.914 0.272 1.00 64.12 C ATOM 0 H ILE A 32 15.091 7.365 3.907 1.00 14.40 H new ATOM 0 HA ILE A 32 15.802 7.414 1.044 1.00 71.31 H new ATOM 0 HB ILE A 32 16.607 9.297 3.297 1.00 10.34 H new ATOM 0 HG12 ILE A 32 14.354 9.639 2.272 1.00 72.25 H new ATOM 0 HG13 ILE A 32 15.446 10.994 2.068 1.00 72.25 H new ATOM 0 HG21 ILE A 32 17.928 10.491 1.596 1.00 71.55 H new ATOM 0 HG22 ILE A 32 18.527 8.835 1.851 1.00 71.55 H new ATOM 0 HG23 ILE A 32 17.551 9.216 0.413 1.00 71.55 H new ATOM 0 HD11 ILE A 32 14.201 10.553 0.008 1.00 64.12 H new ATOM 0 HD12 ILE A 32 15.940 10.265 -0.240 1.00 64.12 H new ATOM 0 HD13 ILE A 32 14.831 8.889 -0.032 1.00 64.12 H new ATOM 500 N ALA A 33 18.097 6.423 1.401 1.00 43.53 N ATOM 501 CA ALA A 33 19.305 5.631 1.594 1.00 5.31 C ATOM 502 C ALA A 33 20.556 6.490 1.436 1.00 71.40 C ATOM 503 O ALA A 33 20.936 6.850 0.322 1.00 51.21 O ATOM 504 CB ALA A 33 19.335 4.467 0.615 1.00 22.44 C ATOM 0 H ALA A 33 17.912 6.680 0.431 1.00 43.53 H new ATOM 0 HA ALA A 33 19.293 5.237 2.610 1.00 5.31 H new ATOM 0 HB1 ALA A 33 20.243 3.884 0.771 1.00 22.44 H new ATOM 0 HB2 ALA A 33 18.464 3.832 0.778 1.00 22.44 H new ATOM 0 HB3 ALA A 33 19.320 4.849 -0.406 1.00 22.44 H new ATOM 510 N ARG A 34 21.191 6.814 2.557 1.00 20.14 N ATOM 511 CA ARG A 34 22.398 7.632 2.543 1.00 72.21 C ATOM 512 C ARG A 34 23.613 6.801 2.141 1.00 30.13 C ATOM 513 O ARG A 34 24.564 7.317 1.557 1.00 43.04 O ATOM 514 CB ARG A 34 22.629 8.262 3.918 1.00 61.15 C ATOM 515 CG ARG A 34 22.965 7.251 5.002 1.00 11.30 C ATOM 516 CD ARG A 34 22.484 7.718 6.367 1.00 42.40 C ATOM 517 NE ARG A 34 23.576 8.244 7.182 1.00 44.15 N ATOM 518 CZ ARG A 34 24.428 7.477 7.853 1.00 34.32 C ATOM 519 NH1 ARG A 34 24.313 6.157 7.807 1.00 24.50 N ATOM 520 NH2 ARG A 34 25.396 8.030 8.572 1.00 32.45 N ATOM 0 H ARG A 34 20.890 6.523 3.487 1.00 20.14 H new ATOM 0 HA ARG A 34 22.262 8.424 1.807 1.00 72.21 H new ATOM 0 HB2 ARG A 34 23.440 8.987 3.845 1.00 61.15 H new ATOM 0 HB3 ARG A 34 21.735 8.813 4.211 1.00 61.15 H new ATOM 0 HG2 ARG A 34 22.506 6.292 4.762 1.00 11.30 H new ATOM 0 HG3 ARG A 34 24.043 7.090 5.030 1.00 11.30 H new ATOM 0 HD2 ARG A 34 21.724 8.488 6.239 1.00 42.40 H new ATOM 0 HD3 ARG A 34 22.011 6.886 6.889 1.00 42.40 H new ATOM 0 HE ARG A 34 23.691 9.256 7.239 1.00 44.15 H new ATOM 0 HH11 ARG A 34 23.569 5.729 7.256 1.00 24.50 H new ATOM 0 HH12 ARG A 34 24.968 5.570 8.323 1.00 24.50 H new ATOM 0 HH21 ARG A 34 25.487 9.045 8.610 1.00 32.45 H new ATOM 0 HH22 ARG A 34 26.050 7.440 9.087 1.00 32.45 H new ATOM 534 N ASN A 35 23.573 5.511 2.460 1.00 1.33 N ATOM 535 CA ASN A 35 24.671 4.609 2.134 1.00 64.11 C ATOM 536 C ASN A 35 25.107 4.785 0.682 1.00 2.25 C ATOM 537 O ASN A 35 26.252 5.130 0.390 1.00 42.43 O ATOM 538 CB ASN A 35 24.257 3.157 2.381 1.00 74.03 C ATOM 539 CG ASN A 35 24.831 2.603 3.670 1.00 23.30 C ATOM 540 OD1 ASN A 35 24.776 3.250 4.716 1.00 33.50 O ATOM 541 ND2 ASN A 35 25.388 1.399 3.600 1.00 32.02 N ATOM 0 H ASN A 35 22.792 5.067 2.944 1.00 1.33 H new ATOM 0 HA ASN A 35 25.514 4.854 2.780 1.00 64.11 H new ATOM 0 HB2 ASN A 35 23.169 3.093 2.414 1.00 74.03 H new ATOM 0 HB3 ASN A 35 24.588 2.541 1.545 1.00 74.03 H new ATOM 0 HD21 ASN A 35 25.792 0.975 4.435 1.00 32.02 H new ATOM 0 HD22 ASN A 35 25.411 0.899 2.711 1.00 32.02 H new ATOM 548 N PRO A 36 24.173 4.544 -0.249 1.00 62.43 N ATOM 549 CA PRO A 36 24.437 4.670 -1.686 1.00 13.32 C ATOM 550 C PRO A 36 24.629 6.121 -2.114 1.00 52.11 C ATOM 551 O PRO A 36 24.389 7.056 -1.350 1.00 1.11 O ATOM 552 CB PRO A 36 23.178 4.085 -2.330 1.00 71.43 C ATOM 553 CG PRO A 36 22.110 4.265 -1.308 1.00 32.35 C ATOM 554 CD PRO A 36 22.788 4.129 0.028 1.00 72.53 C ATOM 0 HA PRO A 36 25.357 4.163 -1.978 1.00 13.32 H new ATOM 0 HB2 PRO A 36 22.930 4.603 -3.257 1.00 71.43 H new ATOM 0 HB3 PRO A 36 23.314 3.033 -2.580 1.00 71.43 H new ATOM 0 HG2 PRO A 36 21.635 5.241 -1.407 1.00 32.35 H new ATOM 0 HG3 PRO A 36 21.327 3.516 -1.426 1.00 32.35 H new ATOM 0 HD2 PRO A 36 22.322 4.763 0.782 1.00 72.53 H new ATOM 0 HD3 PRO A 36 22.742 3.105 0.400 1.00 72.53 H new ATOM 562 N PRO A 37 25.071 6.316 -3.365 1.00 62.13 N ATOM 563 CA PRO A 37 25.304 7.651 -3.924 1.00 2.24 C ATOM 564 C PRO A 37 24.006 8.416 -4.159 1.00 71.40 C ATOM 565 O PRO A 37 23.967 9.641 -4.052 1.00 65.44 O ATOM 566 CB PRO A 37 26.003 7.362 -5.254 1.00 43.23 C ATOM 567 CG PRO A 37 25.557 5.990 -5.627 1.00 2.45 C ATOM 568 CD PRO A 37 25.378 5.248 -4.331 1.00 74.34 C ATOM 0 HA PRO A 37 25.885 8.279 -3.249 1.00 2.24 H new ATOM 0 HB2 PRO A 37 25.722 8.090 -6.015 1.00 43.23 H new ATOM 0 HB3 PRO A 37 27.087 7.411 -5.150 1.00 43.23 H new ATOM 0 HG2 PRO A 37 24.625 6.022 -6.191 1.00 2.45 H new ATOM 0 HG3 PRO A 37 26.295 5.498 -6.260 1.00 2.45 H new ATOM 0 HD2 PRO A 37 24.570 4.519 -4.394 1.00 74.34 H new ATOM 0 HD3 PRO A 37 26.279 4.702 -4.053 1.00 74.34 H new ATOM 576 N GLY A 38 22.943 7.684 -4.480 1.00 21.24 N ATOM 577 CA GLY A 38 21.657 8.311 -4.725 1.00 23.44 C ATOM 578 C GLY A 38 20.541 7.299 -4.889 1.00 70.54 C ATOM 579 O GLY A 38 20.148 6.973 -6.010 1.00 43.41 O ATOM 0 H GLY A 38 22.950 6.668 -4.575 1.00 21.24 H new ATOM 0 HA2 GLY A 38 21.419 8.979 -3.898 1.00 23.44 H new ATOM 0 HA3 GLY A 38 21.721 8.926 -5.623 1.00 23.44 H new ATOM 583 N PHE A 39 20.029 6.797 -3.770 1.00 51.32 N ATOM 584 CA PHE A 39 18.953 5.814 -3.795 1.00 74.34 C ATOM 585 C PHE A 39 18.037 5.978 -2.585 1.00 65.34 C ATOM 586 O PHE A 39 18.498 6.259 -1.479 1.00 72.33 O ATOM 587 CB PHE A 39 19.529 4.397 -3.825 1.00 33.50 C ATOM 588 CG PHE A 39 19.884 3.923 -5.205 1.00 63.32 C ATOM 589 CD1 PHE A 39 18.894 3.651 -6.135 1.00 70.03 C ATOM 590 CD2 PHE A 39 21.209 3.748 -5.572 1.00 50.42 C ATOM 591 CE1 PHE A 39 19.218 3.215 -7.406 1.00 52.14 C ATOM 592 CE2 PHE A 39 21.539 3.313 -6.842 1.00 12.21 C ATOM 593 CZ PHE A 39 20.542 3.045 -7.760 1.00 0.03 C ATOM 0 H PHE A 39 20.342 7.055 -2.834 1.00 51.32 H new ATOM 0 HA PHE A 39 18.365 5.979 -4.698 1.00 74.34 H new ATOM 0 HB2 PHE A 39 20.419 4.362 -3.197 1.00 33.50 H new ATOM 0 HB3 PHE A 39 18.804 3.710 -3.389 1.00 33.50 H new ATOM 0 HD1 PHE A 39 17.857 3.781 -5.864 1.00 70.03 H new ATOM 0 HD2 PHE A 39 21.993 3.954 -4.858 1.00 50.42 H new ATOM 0 HE1 PHE A 39 18.436 3.007 -8.122 1.00 52.14 H new ATOM 0 HE2 PHE A 39 22.575 3.183 -7.116 1.00 12.21 H new ATOM 0 HZ PHE A 39 20.797 2.703 -8.752 1.00 0.03 H new ATOM 603 N ALA A 40 16.739 5.800 -2.805 1.00 12.51 N ATOM 604 CA ALA A 40 15.759 5.927 -1.733 1.00 53.15 C ATOM 605 C ALA A 40 14.619 4.930 -1.911 1.00 72.15 C ATOM 606 O ALA A 40 14.325 4.500 -3.027 1.00 42.12 O ATOM 607 CB ALA A 40 15.216 7.348 -1.680 1.00 22.44 C ATOM 0 H ALA A 40 16.341 5.568 -3.715 1.00 12.51 H new ATOM 0 HA ALA A 40 16.258 5.705 -0.790 1.00 53.15 H new ATOM 0 HB1 ALA A 40 14.485 7.429 -0.875 1.00 22.44 H new ATOM 0 HB2 ALA A 40 16.035 8.044 -1.498 1.00 22.44 H new ATOM 0 HB3 ALA A 40 14.738 7.591 -2.629 1.00 22.44 H new ATOM 613 N PHE A 41 13.980 4.565 -0.805 1.00 30.12 N ATOM 614 CA PHE A 41 12.873 3.616 -0.839 1.00 11.42 C ATOM 615 C PHE A 41 11.615 4.227 -0.228 1.00 31.32 C ATOM 616 O PHE A 41 11.688 5.015 0.715 1.00 24.10 O ATOM 617 CB PHE A 41 13.248 2.336 -0.090 1.00 35.21 C ATOM 618 CG PHE A 41 12.111 1.363 0.040 1.00 72.45 C ATOM 619 CD1 PHE A 41 11.213 1.462 1.090 1.00 32.21 C ATOM 620 CD2 PHE A 41 11.940 0.349 -0.890 1.00 12.14 C ATOM 621 CE1 PHE A 41 10.166 0.567 1.212 1.00 44.12 C ATOM 622 CE2 PHE A 41 10.895 -0.548 -0.773 1.00 71.33 C ATOM 623 CZ PHE A 41 10.007 -0.438 0.278 1.00 34.44 C ATOM 0 H PHE A 41 14.210 4.912 0.126 1.00 30.12 H new ATOM 0 HA PHE A 41 12.668 3.371 -1.881 1.00 11.42 H new ATOM 0 HB2 PHE A 41 14.074 1.850 -0.609 1.00 35.21 H new ATOM 0 HB3 PHE A 41 13.607 2.599 0.905 1.00 35.21 H new ATOM 0 HD1 PHE A 41 11.332 2.247 1.822 1.00 32.21 H new ATOM 0 HD2 PHE A 41 12.631 0.259 -1.715 1.00 12.14 H new ATOM 0 HE1 PHE A 41 9.474 0.654 2.036 1.00 44.12 H new ATOM 0 HE2 PHE A 41 10.773 -1.334 -1.503 1.00 71.33 H new ATOM 0 HZ PHE A 41 9.189 -1.137 0.370 1.00 34.44 H new ATOM 633 N VAL A 42 10.460 3.857 -0.773 1.00 22.22 N ATOM 634 CA VAL A 42 9.185 4.366 -0.282 1.00 43.52 C ATOM 635 C VAL A 42 8.139 3.260 -0.219 1.00 32.34 C ATOM 636 O VAL A 42 8.125 2.357 -1.055 1.00 22.25 O ATOM 637 CB VAL A 42 8.657 5.507 -1.172 1.00 51.03 C ATOM 638 CG1 VAL A 42 7.264 5.929 -0.729 1.00 44.11 C ATOM 639 CG2 VAL A 42 9.614 6.689 -1.148 1.00 24.24 C ATOM 0 H VAL A 42 10.381 3.207 -1.555 1.00 22.22 H new ATOM 0 HA VAL A 42 9.363 4.750 0.722 1.00 43.52 H new ATOM 0 HB VAL A 42 8.592 5.143 -2.197 1.00 51.03 H new ATOM 0 HG11 VAL A 42 6.907 6.736 -1.369 1.00 44.11 H new ATOM 0 HG12 VAL A 42 6.585 5.079 -0.804 1.00 44.11 H new ATOM 0 HG13 VAL A 42 7.300 6.275 0.304 1.00 44.11 H new ATOM 0 HG21 VAL A 42 9.225 7.485 -1.782 1.00 24.24 H new ATOM 0 HG22 VAL A 42 9.714 7.055 -0.126 1.00 24.24 H new ATOM 0 HG23 VAL A 42 10.590 6.375 -1.518 1.00 24.24 H new ATOM 649 N GLU A 43 7.263 3.337 0.779 1.00 42.13 N ATOM 650 CA GLU A 43 6.213 2.341 0.951 1.00 34.30 C ATOM 651 C GLU A 43 4.838 2.947 0.681 1.00 24.23 C ATOM 652 O GLU A 43 4.463 3.953 1.283 1.00 55.23 O ATOM 653 CB GLU A 43 6.257 1.760 2.366 1.00 61.31 C ATOM 654 CG GLU A 43 5.401 0.517 2.541 1.00 62.54 C ATOM 655 CD GLU A 43 5.938 -0.416 3.609 1.00 64.35 C ATOM 656 OE1 GLU A 43 6.340 0.080 4.682 1.00 52.42 O ATOM 657 OE2 GLU A 43 5.958 -1.642 3.371 1.00 32.13 O ATOM 0 H GLU A 43 7.260 4.078 1.480 1.00 42.13 H new ATOM 0 HA GLU A 43 6.386 1.541 0.232 1.00 34.30 H new ATOM 0 HB2 GLU A 43 7.289 1.518 2.618 1.00 61.31 H new ATOM 0 HB3 GLU A 43 5.926 2.521 3.073 1.00 61.31 H new ATOM 0 HG2 GLU A 43 4.385 0.814 2.801 1.00 62.54 H new ATOM 0 HG3 GLU A 43 5.344 -0.017 1.592 1.00 62.54 H new ATOM 664 N PHE A 44 4.093 2.327 -0.228 1.00 0.03 N ATOM 665 CA PHE A 44 2.761 2.805 -0.579 1.00 40.32 C ATOM 666 C PHE A 44 1.684 1.904 0.018 1.00 3.11 C ATOM 667 O PHE A 44 1.623 0.712 -0.281 1.00 12.11 O ATOM 668 CB PHE A 44 2.603 2.868 -2.100 1.00 4.32 C ATOM 669 CG PHE A 44 2.387 4.260 -2.623 1.00 62.50 C ATOM 670 CD1 PHE A 44 1.390 5.064 -2.097 1.00 15.40 C ATOM 671 CD2 PHE A 44 3.182 4.763 -3.640 1.00 71.44 C ATOM 672 CE1 PHE A 44 1.188 6.345 -2.577 1.00 61.42 C ATOM 673 CE2 PHE A 44 2.985 6.042 -4.124 1.00 43.34 C ATOM 674 CZ PHE A 44 1.988 6.835 -3.591 1.00 73.43 C ATOM 0 H PHE A 44 4.389 1.493 -0.735 1.00 0.03 H new ATOM 0 HA PHE A 44 2.642 3.807 -0.166 1.00 40.32 H new ATOM 0 HB2 PHE A 44 3.493 2.447 -2.568 1.00 4.32 H new ATOM 0 HB3 PHE A 44 1.761 2.242 -2.396 1.00 4.32 H new ATOM 0 HD1 PHE A 44 0.763 4.686 -1.303 1.00 15.40 H new ATOM 0 HD2 PHE A 44 3.965 4.148 -4.059 1.00 71.44 H new ATOM 0 HE1 PHE A 44 0.406 6.962 -2.160 1.00 61.42 H new ATOM 0 HE2 PHE A 44 3.610 6.421 -4.919 1.00 43.34 H new ATOM 0 HZ PHE A 44 1.834 7.836 -3.966 1.00 73.43 H new ATOM 684 N GLU A 45 0.838 2.483 0.864 1.00 4.53 N ATOM 685 CA GLU A 45 -0.235 1.732 1.505 1.00 42.32 C ATOM 686 C GLU A 45 -1.032 0.937 0.475 1.00 52.31 C ATOM 687 O GLU A 45 -1.511 -0.161 0.758 1.00 62.11 O ATOM 688 CB GLU A 45 -1.165 2.678 2.267 1.00 53.43 C ATOM 689 CG GLU A 45 -1.795 2.051 3.499 1.00 51.01 C ATOM 690 CD GLU A 45 -2.924 2.889 4.068 1.00 61.42 C ATOM 691 OE1 GLU A 45 -2.634 3.929 4.694 1.00 40.54 O ATOM 692 OE2 GLU A 45 -4.098 2.503 3.887 1.00 63.55 O ATOM 0 H GLU A 45 0.875 3.469 1.121 1.00 4.53 H new ATOM 0 HA GLU A 45 0.215 1.033 2.209 1.00 42.32 H new ATOM 0 HB2 GLU A 45 -0.603 3.563 2.567 1.00 53.43 H new ATOM 0 HB3 GLU A 45 -1.956 3.015 1.596 1.00 53.43 H new ATOM 0 HG2 GLU A 45 -2.175 1.061 3.245 1.00 51.01 H new ATOM 0 HG3 GLU A 45 -1.030 1.912 4.263 1.00 51.01 H new ATOM 699 N ASP A 46 -1.171 1.501 -0.720 1.00 61.42 N ATOM 700 CA ASP A 46 -1.910 0.845 -1.793 1.00 44.23 C ATOM 701 C ASP A 46 -1.062 0.753 -3.059 1.00 15.24 C ATOM 702 O ASP A 46 -0.211 1.601 -3.328 1.00 74.04 O ATOM 703 CB ASP A 46 -3.205 1.603 -2.086 1.00 54.11 C ATOM 704 CG ASP A 46 -4.440 0.795 -1.737 1.00 40.42 C ATOM 705 OD1 ASP A 46 -4.363 -0.034 -0.806 1.00 73.04 O ATOM 706 OD2 ASP A 46 -5.483 0.993 -2.394 1.00 52.41 O ATOM 0 H ASP A 46 -0.782 2.410 -0.970 1.00 61.42 H new ATOM 0 HA ASP A 46 -2.156 -0.166 -1.467 1.00 44.23 H new ATOM 0 HB2 ASP A 46 -3.213 2.535 -1.521 1.00 54.11 H new ATOM 0 HB3 ASP A 46 -3.235 1.870 -3.142 1.00 54.11 H new ATOM 711 N PRO A 47 -1.299 -0.301 -3.854 1.00 4.12 N ATOM 712 CA PRO A 47 -0.567 -0.529 -5.104 1.00 31.25 C ATOM 713 C PRO A 47 -0.928 0.488 -6.180 1.00 42.35 C ATOM 714 O PRO A 47 -0.051 1.039 -6.846 1.00 64.22 O ATOM 715 CB PRO A 47 -1.012 -1.933 -5.523 1.00 43.53 C ATOM 716 CG PRO A 47 -2.348 -2.112 -4.890 1.00 53.34 C ATOM 717 CD PRO A 47 -2.298 -1.351 -3.594 1.00 52.45 C ATOM 0 HA PRO A 47 0.510 -0.430 -4.970 1.00 31.25 H new ATOM 0 HB2 PRO A 47 -1.073 -2.022 -6.608 1.00 43.53 H new ATOM 0 HB3 PRO A 47 -0.307 -2.690 -5.180 1.00 43.53 H new ATOM 0 HG2 PRO A 47 -3.140 -1.732 -5.535 1.00 53.34 H new ATOM 0 HG3 PRO A 47 -2.559 -3.167 -4.715 1.00 53.34 H new ATOM 0 HD2 PRO A 47 -3.269 -0.927 -3.339 1.00 52.45 H new ATOM 0 HD3 PRO A 47 -2.001 -1.991 -2.763 1.00 52.45 H new ATOM 725 N ARG A 48 -2.223 0.734 -6.346 1.00 74.31 N ATOM 726 CA ARG A 48 -2.699 1.685 -7.343 1.00 74.12 C ATOM 727 C ARG A 48 -1.954 3.012 -7.228 1.00 75.42 C ATOM 728 O ARG A 48 -1.494 3.565 -8.227 1.00 22.12 O ATOM 729 CB ARG A 48 -4.203 1.916 -7.181 1.00 41.24 C ATOM 730 CG ARG A 48 -4.747 3.026 -8.066 1.00 71.10 C ATOM 731 CD ARG A 48 -6.256 3.159 -7.928 1.00 44.03 C ATOM 732 NE ARG A 48 -6.658 3.431 -6.551 1.00 24.11 N ATOM 733 CZ ARG A 48 -7.887 3.792 -6.202 1.00 14.01 C ATOM 734 NH1 ARG A 48 -8.830 3.923 -7.125 1.00 13.43 N ATOM 735 NH2 ARG A 48 -8.176 4.022 -4.927 1.00 71.04 N ATOM 0 H ARG A 48 -2.962 0.288 -5.803 1.00 74.31 H new ATOM 0 HA ARG A 48 -2.507 1.265 -8.330 1.00 74.12 H new ATOM 0 HB2 ARG A 48 -4.731 0.990 -7.408 1.00 41.24 H new ATOM 0 HB3 ARG A 48 -4.415 2.156 -6.139 1.00 41.24 H new ATOM 0 HG2 ARG A 48 -4.272 3.970 -7.801 1.00 71.10 H new ATOM 0 HG3 ARG A 48 -4.492 2.822 -9.106 1.00 71.10 H new ATOM 0 HD2 ARG A 48 -6.610 3.962 -8.574 1.00 44.03 H new ATOM 0 HD3 ARG A 48 -6.734 2.241 -8.270 1.00 44.03 H new ATOM 0 HE ARG A 48 -5.956 3.339 -5.817 1.00 24.11 H new ATOM 0 HH11 ARG A 48 -8.612 3.746 -8.106 1.00 13.43 H new ATOM 0 HH12 ARG A 48 -9.773 4.200 -6.854 1.00 13.43 H new ATOM 0 HH21 ARG A 48 -7.453 3.921 -4.214 1.00 71.04 H new ATOM 0 HH22 ARG A 48 -9.121 4.299 -4.660 1.00 71.04 H new ATOM 749 N ASP A 49 -1.841 3.516 -6.005 1.00 1.15 N ATOM 750 CA ASP A 49 -1.152 4.777 -5.758 1.00 43.55 C ATOM 751 C ASP A 49 0.300 4.703 -6.222 1.00 53.23 C ATOM 752 O ASP A 49 0.854 5.684 -6.718 1.00 21.41 O ATOM 753 CB ASP A 49 -1.207 5.132 -4.272 1.00 15.13 C ATOM 754 CG ASP A 49 -2.603 4.992 -3.695 1.00 25.30 C ATOM 755 OD1 ASP A 49 -3.579 5.204 -4.445 1.00 21.35 O ATOM 756 OD2 ASP A 49 -2.718 4.669 -2.494 1.00 41.03 O ATOM 0 H ASP A 49 -2.218 3.071 -5.168 1.00 1.15 H new ATOM 0 HA ASP A 49 -1.658 5.556 -6.328 1.00 43.55 H new ATOM 0 HB2 ASP A 49 -0.523 4.486 -3.721 1.00 15.13 H new ATOM 0 HB3 ASP A 49 -0.860 6.156 -4.133 1.00 15.13 H new ATOM 761 N ALA A 50 0.909 3.534 -6.057 1.00 23.13 N ATOM 762 CA ALA A 50 2.296 3.331 -6.459 1.00 54.52 C ATOM 763 C ALA A 50 2.418 3.234 -7.976 1.00 43.10 C ATOM 764 O ALA A 50 3.356 3.768 -8.567 1.00 1.20 O ATOM 765 CB ALA A 50 2.859 2.081 -5.801 1.00 30.22 C ATOM 0 H ALA A 50 0.464 2.713 -5.648 1.00 23.13 H new ATOM 0 HA ALA A 50 2.875 4.193 -6.128 1.00 54.52 H new ATOM 0 HB1 ALA A 50 3.895 1.942 -6.110 1.00 30.22 H new ATOM 0 HB2 ALA A 50 2.815 2.189 -4.717 1.00 30.22 H new ATOM 0 HB3 ALA A 50 2.271 1.214 -6.103 1.00 30.22 H new ATOM 771 N GLU A 51 1.465 2.548 -8.599 1.00 42.35 N ATOM 772 CA GLU A 51 1.469 2.380 -10.048 1.00 0.41 C ATOM 773 C GLU A 51 1.379 3.731 -10.752 1.00 51.14 C ATOM 774 O GLU A 51 2.111 3.996 -11.706 1.00 70.22 O ATOM 775 CB GLU A 51 0.305 1.487 -10.483 1.00 44.22 C ATOM 776 CG GLU A 51 0.745 0.215 -11.188 1.00 42.35 C ATOM 777 CD GLU A 51 -0.163 -0.961 -10.890 1.00 35.41 C ATOM 778 OE1 GLU A 51 -1.338 -0.925 -11.313 1.00 31.32 O ATOM 779 OE2 GLU A 51 0.299 -1.918 -10.234 1.00 3.53 O ATOM 0 H GLU A 51 0.681 2.100 -8.124 1.00 42.35 H new ATOM 0 HA GLU A 51 2.408 1.904 -10.331 1.00 0.41 H new ATOM 0 HB2 GLU A 51 -0.285 1.221 -9.606 1.00 44.22 H new ATOM 0 HB3 GLU A 51 -0.348 2.053 -11.147 1.00 44.22 H new ATOM 0 HG2 GLU A 51 0.766 0.389 -12.264 1.00 42.35 H new ATOM 0 HG3 GLU A 51 1.763 -0.031 -10.885 1.00 42.35 H new ATOM 786 N ASP A 52 0.476 4.581 -10.276 1.00 32.10 N ATOM 787 CA ASP A 52 0.289 5.905 -10.859 1.00 22.42 C ATOM 788 C ASP A 52 1.452 6.825 -10.501 1.00 63.43 C ATOM 789 O ASP A 52 1.960 7.558 -11.349 1.00 54.22 O ATOM 790 CB ASP A 52 -1.028 6.516 -10.378 1.00 5.13 C ATOM 791 CG ASP A 52 -1.518 7.625 -11.288 1.00 61.31 C ATOM 792 OD1 ASP A 52 -0.763 8.598 -11.498 1.00 73.45 O ATOM 793 OD2 ASP A 52 -2.656 7.519 -11.791 1.00 42.11 O ATOM 0 H ASP A 52 -0.138 4.377 -9.488 1.00 32.10 H new ATOM 0 HA ASP A 52 0.255 5.797 -11.943 1.00 22.42 H new ATOM 0 HB2 ASP A 52 -1.787 5.736 -10.319 1.00 5.13 H new ATOM 0 HB3 ASP A 52 -0.896 6.909 -9.370 1.00 5.13 H new ATOM 798 N ALA A 53 1.869 6.781 -9.240 1.00 70.51 N ATOM 799 CA ALA A 53 2.972 7.609 -8.771 1.00 5.23 C ATOM 800 C ALA A 53 4.256 7.297 -9.532 1.00 61.23 C ATOM 801 O ALA A 53 4.943 8.201 -10.009 1.00 30.34 O ATOM 802 CB ALA A 53 3.182 7.412 -7.277 1.00 12.44 C ATOM 0 H ALA A 53 1.459 6.180 -8.525 1.00 70.51 H new ATOM 0 HA ALA A 53 2.714 8.652 -8.957 1.00 5.23 H new ATOM 0 HB1 ALA A 53 4.009 8.037 -6.940 1.00 12.44 H new ATOM 0 HB2 ALA A 53 2.275 7.692 -6.742 1.00 12.44 H new ATOM 0 HB3 ALA A 53 3.413 6.366 -7.077 1.00 12.44 H new ATOM 808 N VAL A 54 4.575 6.011 -9.643 1.00 42.11 N ATOM 809 CA VAL A 54 5.777 5.580 -10.347 1.00 73.53 C ATOM 810 C VAL A 54 5.672 5.869 -11.840 1.00 45.34 C ATOM 811 O VAL A 54 6.537 6.529 -12.417 1.00 4.12 O ATOM 812 CB VAL A 54 6.036 4.075 -10.144 1.00 61.14 C ATOM 813 CG1 VAL A 54 7.240 3.626 -10.959 1.00 30.04 C ATOM 814 CG2 VAL A 54 6.234 3.763 -8.669 1.00 11.03 C ATOM 0 H VAL A 54 4.018 5.250 -9.255 1.00 42.11 H new ATOM 0 HA VAL A 54 6.610 6.145 -9.928 1.00 73.53 H new ATOM 0 HB VAL A 54 5.164 3.523 -10.494 1.00 61.14 H new ATOM 0 HG11 VAL A 54 7.408 2.560 -10.803 1.00 30.04 H new ATOM 0 HG12 VAL A 54 7.054 3.813 -12.017 1.00 30.04 H new ATOM 0 HG13 VAL A 54 8.122 4.182 -10.642 1.00 30.04 H new ATOM 0 HG21 VAL A 54 6.416 2.696 -8.544 1.00 11.03 H new ATOM 0 HG22 VAL A 54 7.089 4.323 -8.290 1.00 11.03 H new ATOM 0 HG23 VAL A 54 5.340 4.046 -8.114 1.00 11.03 H new ATOM 824 N ARG A 55 4.608 5.372 -12.461 1.00 53.12 N ATOM 825 CA ARG A 55 4.390 5.577 -13.888 1.00 44.02 C ATOM 826 C ARG A 55 4.488 7.057 -14.246 1.00 4.20 C ATOM 827 O ARG A 55 5.013 7.418 -15.298 1.00 50.55 O ATOM 828 CB ARG A 55 3.022 5.031 -14.301 1.00 3.11 C ATOM 829 CG ARG A 55 2.983 3.517 -14.425 1.00 30.32 C ATOM 830 CD ARG A 55 1.557 3.005 -14.553 1.00 13.13 C ATOM 831 NE ARG A 55 1.059 3.107 -15.922 1.00 43.21 N ATOM 832 CZ ARG A 55 -0.169 2.756 -16.286 1.00 62.50 C ATOM 833 NH1 ARG A 55 -1.020 2.282 -15.387 1.00 32.32 N ATOM 834 NH2 ARG A 55 -0.548 2.878 -17.552 1.00 23.02 N ATOM 0 H ARG A 55 3.883 4.824 -11.998 1.00 53.12 H new ATOM 0 HA ARG A 55 5.167 5.037 -14.429 1.00 44.02 H new ATOM 0 HB2 ARG A 55 2.278 5.346 -13.569 1.00 3.11 H new ATOM 0 HB3 ARG A 55 2.737 5.473 -15.256 1.00 3.11 H new ATOM 0 HG2 ARG A 55 3.561 3.207 -15.295 1.00 30.32 H new ATOM 0 HG3 ARG A 55 3.455 3.067 -13.552 1.00 30.32 H new ATOM 0 HD2 ARG A 55 1.515 1.965 -14.229 1.00 13.13 H new ATOM 0 HD3 ARG A 55 0.907 3.573 -13.888 1.00 13.13 H new ATOM 0 HE ARG A 55 1.689 3.468 -16.638 1.00 43.21 H new ATOM 0 HH11 ARG A 55 -0.732 2.186 -14.413 1.00 32.32 H new ATOM 0 HH12 ARG A 55 -1.963 2.013 -15.669 1.00 32.32 H new ATOM 0 HH21 ARG A 55 0.104 3.242 -18.247 1.00 23.02 H new ATOM 0 HH22 ARG A 55 -1.491 2.608 -17.830 1.00 23.02 H new ATOM 848 N GLY A 56 3.979 7.910 -13.362 1.00 33.41 N ATOM 849 CA GLY A 56 4.018 9.340 -13.603 1.00 1.21 C ATOM 850 C GLY A 56 5.405 9.922 -13.413 1.00 13.22 C ATOM 851 O GLY A 56 5.941 10.575 -14.309 1.00 74.15 O ATOM 0 H GLY A 56 3.540 7.636 -12.483 1.00 33.41 H new ATOM 0 HA2 GLY A 56 3.678 9.544 -14.618 1.00 1.21 H new ATOM 0 HA3 GLY A 56 3.322 9.838 -12.928 1.00 1.21 H new ATOM 855 N LEU A 57 5.987 9.688 -12.242 1.00 64.22 N ATOM 856 CA LEU A 57 7.321 10.195 -11.936 1.00 55.00 C ATOM 857 C LEU A 57 8.336 9.717 -12.969 1.00 54.13 C ATOM 858 O LEU A 57 9.045 10.521 -13.575 1.00 23.52 O ATOM 859 CB LEU A 57 7.749 9.747 -10.538 1.00 24.12 C ATOM 860 CG LEU A 57 7.475 10.734 -9.403 1.00 2.31 C ATOM 861 CD1 LEU A 57 6.019 11.173 -9.417 1.00 42.13 C ATOM 862 CD2 LEU A 57 7.835 10.116 -8.060 1.00 13.24 C ATOM 0 H LEU A 57 5.557 9.151 -11.489 1.00 64.22 H new ATOM 0 HA LEU A 57 7.285 11.284 -11.967 1.00 55.00 H new ATOM 0 HB2 LEU A 57 7.242 8.810 -10.308 1.00 24.12 H new ATOM 0 HB3 LEU A 57 8.818 9.535 -10.558 1.00 24.12 H new ATOM 0 HG LEU A 57 8.100 11.614 -9.554 1.00 2.31 H new ATOM 0 HD11 LEU A 57 5.843 11.875 -8.602 1.00 42.13 H new ATOM 0 HD12 LEU A 57 5.794 11.656 -10.368 1.00 42.13 H new ATOM 0 HD13 LEU A 57 5.375 10.302 -9.291 1.00 42.13 H new ATOM 0 HD21 LEU A 57 7.633 10.833 -7.264 1.00 13.24 H new ATOM 0 HD22 LEU A 57 7.237 9.219 -7.900 1.00 13.24 H new ATOM 0 HD23 LEU A 57 8.893 9.853 -8.052 1.00 13.24 H new ATOM 874 N ASP A 58 8.398 8.405 -13.167 1.00 75.01 N ATOM 875 CA ASP A 58 9.323 7.820 -14.130 1.00 24.31 C ATOM 876 C ASP A 58 8.911 8.162 -15.558 1.00 54.20 C ATOM 877 O ASP A 58 9.754 8.450 -16.406 1.00 54.34 O ATOM 878 CB ASP A 58 9.384 6.302 -13.953 1.00 70.45 C ATOM 879 CG ASP A 58 10.128 5.617 -15.083 1.00 24.23 C ATOM 880 OD1 ASP A 58 11.316 5.941 -15.294 1.00 11.42 O ATOM 881 OD2 ASP A 58 9.524 4.756 -15.755 1.00 32.41 O ATOM 0 H ASP A 58 7.818 7.726 -12.673 1.00 75.01 H new ATOM 0 HA ASP A 58 10.312 8.240 -13.947 1.00 24.31 H new ATOM 0 HB2 ASP A 58 9.872 6.069 -13.007 1.00 70.45 H new ATOM 0 HB3 ASP A 58 8.371 5.905 -13.896 1.00 70.45 H new ATOM 886 N GLY A 59 7.607 8.127 -15.817 1.00 12.45 N ATOM 887 CA GLY A 59 7.105 8.435 -17.143 1.00 61.11 C ATOM 888 C GLY A 59 7.277 9.897 -17.503 1.00 41.15 C ATOM 889 O GLY A 59 7.194 10.270 -18.674 1.00 1.21 O ATOM 0 H GLY A 59 6.889 7.891 -15.132 1.00 12.45 H new ATOM 0 HA2 GLY A 59 7.625 7.820 -17.877 1.00 61.11 H new ATOM 0 HA3 GLY A 59 6.049 8.172 -17.198 1.00 61.11 H new ATOM 893 N LYS A 60 7.516 10.729 -16.495 1.00 40.14 N ATOM 894 CA LYS A 60 7.700 12.159 -16.710 1.00 52.54 C ATOM 895 C LYS A 60 8.362 12.811 -15.500 1.00 74.13 C ATOM 896 O LYS A 60 7.868 12.704 -14.378 1.00 13.24 O ATOM 897 CB LYS A 60 6.354 12.831 -16.992 1.00 32.11 C ATOM 898 CG LYS A 60 6.222 13.359 -18.410 1.00 23.00 C ATOM 899 CD LYS A 60 7.171 14.518 -18.664 1.00 2.35 C ATOM 900 CE LYS A 60 8.144 14.206 -19.791 1.00 13.24 C ATOM 901 NZ LYS A 60 7.598 14.601 -21.119 1.00 23.50 N ATOM 0 H LYS A 60 7.587 10.437 -15.520 1.00 40.14 H new ATOM 0 HA LYS A 60 8.352 12.290 -17.573 1.00 52.54 H new ATOM 0 HB2 LYS A 60 5.554 12.115 -16.804 1.00 32.11 H new ATOM 0 HB3 LYS A 60 6.215 13.655 -16.292 1.00 32.11 H new ATOM 0 HG2 LYS A 60 6.428 12.557 -19.119 1.00 23.00 H new ATOM 0 HG3 LYS A 60 5.196 13.683 -18.585 1.00 23.00 H new ATOM 0 HD2 LYS A 60 6.598 15.411 -18.914 1.00 2.35 H new ATOM 0 HD3 LYS A 60 7.727 14.741 -17.753 1.00 2.35 H new ATOM 0 HE2 LYS A 60 9.084 14.729 -19.615 1.00 13.24 H new ATOM 0 HE3 LYS A 60 8.368 13.139 -19.793 1.00 13.24 H new ATOM 0 HZ1 LYS A 60 8.290 14.372 -21.861 1.00 23.50 H new ATOM 0 HZ2 LYS A 60 6.714 14.083 -21.299 1.00 23.50 H new ATOM 0 HZ3 LYS A 60 7.408 15.623 -21.126 1.00 23.50 H new ATOM 915 N VAL A 61 9.481 13.487 -15.736 1.00 44.14 N ATOM 916 CA VAL A 61 10.209 14.158 -14.666 1.00 43.20 C ATOM 917 C VAL A 61 9.270 14.988 -13.799 1.00 15.04 C ATOM 918 O VAL A 61 8.232 15.459 -14.265 1.00 73.10 O ATOM 919 CB VAL A 61 11.315 15.073 -15.227 1.00 34.14 C ATOM 920 CG1 VAL A 61 12.176 14.318 -16.228 1.00 12.13 C ATOM 921 CG2 VAL A 61 10.707 16.314 -15.863 1.00 32.04 C ATOM 0 H VAL A 61 9.904 13.585 -16.659 1.00 44.14 H new ATOM 0 HA VAL A 61 10.667 13.378 -14.057 1.00 43.20 H new ATOM 0 HB VAL A 61 11.953 15.391 -14.402 1.00 34.14 H new ATOM 0 HG11 VAL A 61 12.951 14.980 -16.613 1.00 12.13 H new ATOM 0 HG12 VAL A 61 12.640 13.463 -15.737 1.00 12.13 H new ATOM 0 HG13 VAL A 61 11.554 13.969 -17.052 1.00 12.13 H new ATOM 0 HG21 VAL A 61 11.502 16.949 -16.254 1.00 32.04 H new ATOM 0 HG22 VAL A 61 10.045 16.019 -16.677 1.00 32.04 H new ATOM 0 HG23 VAL A 61 10.138 16.865 -15.114 1.00 32.04 H new ATOM 931 N ILE A 62 9.640 15.164 -12.535 1.00 23.42 N ATOM 932 CA ILE A 62 8.831 15.938 -11.602 1.00 51.34 C ATOM 933 C ILE A 62 9.579 17.178 -11.124 1.00 54.33 C ATOM 934 O ILE A 62 10.686 17.082 -10.595 1.00 25.02 O ATOM 935 CB ILE A 62 8.420 15.097 -10.380 1.00 24.24 C ATOM 936 CG1 ILE A 62 7.706 15.972 -9.348 1.00 31.14 C ATOM 937 CG2 ILE A 62 9.640 14.429 -9.762 1.00 42.23 C ATOM 938 CD1 ILE A 62 8.614 16.470 -8.245 1.00 42.13 C ATOM 0 H ILE A 62 10.496 14.781 -12.133 1.00 23.42 H new ATOM 0 HA ILE A 62 7.934 16.243 -12.140 1.00 51.34 H new ATOM 0 HB ILE A 62 7.731 14.319 -10.708 1.00 24.24 H new ATOM 0 HG12 ILE A 62 7.261 16.828 -9.855 1.00 31.14 H new ATOM 0 HG13 ILE A 62 6.888 15.403 -8.905 1.00 31.14 H new ATOM 0 HG21 ILE A 62 9.333 13.838 -8.899 1.00 42.23 H new ATOM 0 HG22 ILE A 62 10.111 13.778 -10.499 1.00 42.23 H new ATOM 0 HG23 ILE A 62 10.351 15.192 -9.445 1.00 42.23 H new ATOM 0 HD11 ILE A 62 8.040 17.083 -7.550 1.00 42.13 H new ATOM 0 HD12 ILE A 62 9.039 15.620 -7.712 1.00 42.13 H new ATOM 0 HD13 ILE A 62 9.418 17.066 -8.677 1.00 42.13 H new ATOM 950 N CYS A 63 8.965 18.341 -11.313 1.00 3.33 N ATOM 951 CA CYS A 63 9.572 19.602 -10.900 1.00 24.34 C ATOM 952 C CYS A 63 11.032 19.672 -11.338 1.00 34.31 C ATOM 953 O CYS A 63 11.896 20.118 -10.585 1.00 30.43 O ATOM 954 CB CYS A 63 9.475 19.766 -9.382 1.00 74.42 C ATOM 955 SG CYS A 63 9.069 21.444 -8.846 1.00 21.14 S ATOM 0 H CYS A 63 8.048 18.437 -11.749 1.00 3.33 H new ATOM 0 HA CYS A 63 9.027 20.414 -11.382 1.00 24.34 H new ATOM 0 HB2 CYS A 63 8.718 19.081 -9.001 1.00 74.42 H new ATOM 0 HB3 CYS A 63 10.424 19.473 -8.934 1.00 74.42 H new ATOM 0 HG CYS A 63 9.007 21.482 -7.548 1.00 21.14 H new ATOM 961 N GLY A 64 11.299 19.226 -12.562 1.00 14.11 N ATOM 962 CA GLY A 64 12.655 19.245 -13.079 1.00 15.11 C ATOM 963 C GLY A 64 13.537 18.197 -12.430 1.00 42.41 C ATOM 964 O GLY A 64 14.730 18.422 -12.223 1.00 54.22 O ATOM 0 H GLY A 64 10.601 18.852 -13.204 1.00 14.11 H new ATOM 0 HA2 GLY A 64 12.632 19.080 -14.156 1.00 15.11 H new ATOM 0 HA3 GLY A 64 13.089 20.232 -12.917 1.00 15.11 H new ATOM 968 N SER A 65 12.950 17.049 -12.107 1.00 4.54 N ATOM 969 CA SER A 65 13.690 15.965 -11.472 1.00 64.11 C ATOM 970 C SER A 65 13.511 14.661 -12.243 1.00 73.22 C ATOM 971 O SER A 65 12.471 14.008 -12.147 1.00 3.13 O ATOM 972 CB SER A 65 13.229 15.783 -10.025 1.00 31.31 C ATOM 973 OG SER A 65 12.997 17.034 -9.402 1.00 43.30 O ATOM 0 H SER A 65 11.965 16.846 -12.275 1.00 4.54 H new ATOM 0 HA SER A 65 14.748 16.228 -11.478 1.00 64.11 H new ATOM 0 HB2 SER A 65 12.316 15.188 -10.003 1.00 31.31 H new ATOM 0 HB3 SER A 65 13.984 15.230 -9.466 1.00 31.31 H new ATOM 0 HG SER A 65 12.131 17.388 -9.692 1.00 43.30 H new ATOM 979 N ARG A 66 14.531 14.288 -13.008 1.00 62.24 N ATOM 980 CA ARG A 66 14.487 13.063 -13.798 1.00 34.34 C ATOM 981 C ARG A 66 14.953 11.867 -12.972 1.00 41.12 C ATOM 982 O ARG A 66 15.751 11.052 -13.436 1.00 41.51 O ATOM 983 CB ARG A 66 15.357 13.204 -15.047 1.00 43.05 C ATOM 984 CG ARG A 66 15.388 14.615 -15.612 1.00 21.01 C ATOM 985 CD ARG A 66 16.666 15.343 -15.223 1.00 75.44 C ATOM 986 NE ARG A 66 17.130 16.236 -16.281 1.00 14.50 N ATOM 987 CZ ARG A 66 18.333 16.800 -16.292 1.00 34.31 C ATOM 988 NH1 ARG A 66 19.188 16.562 -15.307 1.00 43.43 N ATOM 989 NH2 ARG A 66 18.682 17.602 -17.289 1.00 71.15 N ATOM 0 H ARG A 66 15.399 14.817 -13.098 1.00 62.24 H new ATOM 0 HA ARG A 66 13.454 12.893 -14.102 1.00 34.34 H new ATOM 0 HB2 ARG A 66 16.375 12.895 -14.807 1.00 43.05 H new ATOM 0 HB3 ARG A 66 14.989 12.523 -15.814 1.00 43.05 H new ATOM 0 HG2 ARG A 66 15.307 14.575 -16.698 1.00 21.01 H new ATOM 0 HG3 ARG A 66 14.525 15.173 -15.248 1.00 21.01 H new ATOM 0 HD2 ARG A 66 16.493 15.918 -14.313 1.00 75.44 H new ATOM 0 HD3 ARG A 66 17.444 14.614 -14.997 1.00 75.44 H new ATOM 0 HE ARG A 66 16.496 16.438 -17.054 1.00 14.50 H new ATOM 0 HH11 ARG A 66 18.923 15.945 -14.539 1.00 43.43 H new ATOM 0 HH12 ARG A 66 20.111 16.996 -15.317 1.00 43.43 H new ATOM 0 HH21 ARG A 66 18.027 17.786 -18.048 1.00 71.15 H new ATOM 0 HH22 ARG A 66 19.606 18.034 -17.296 1.00 71.15 H new ATOM 1003 N VAL A 67 14.450 11.769 -11.746 1.00 21.33 N ATOM 1004 CA VAL A 67 14.814 10.673 -10.856 1.00 24.14 C ATOM 1005 C VAL A 67 14.422 9.326 -11.453 1.00 10.23 C ATOM 1006 O VAL A 67 13.807 9.263 -12.517 1.00 42.35 O ATOM 1007 CB VAL A 67 14.146 10.825 -9.476 1.00 64.31 C ATOM 1008 CG1 VAL A 67 14.760 11.987 -8.710 1.00 61.14 C ATOM 1009 CG2 VAL A 67 12.644 11.010 -9.629 1.00 44.34 C ATOM 0 H VAL A 67 13.789 12.435 -11.346 1.00 21.33 H new ATOM 0 HA VAL A 67 15.896 10.711 -10.734 1.00 24.14 H new ATOM 0 HB VAL A 67 14.320 9.913 -8.905 1.00 64.31 H new ATOM 0 HG11 VAL A 67 14.275 12.079 -7.738 1.00 61.14 H new ATOM 0 HG12 VAL A 67 15.826 11.807 -8.569 1.00 61.14 H new ATOM 0 HG13 VAL A 67 14.620 12.909 -9.274 1.00 61.14 H new ATOM 0 HG21 VAL A 67 12.188 11.116 -8.645 1.00 44.34 H new ATOM 0 HG22 VAL A 67 12.446 11.905 -10.219 1.00 44.34 H new ATOM 0 HG23 VAL A 67 12.220 10.142 -10.134 1.00 44.34 H new ATOM 1019 N ARG A 68 14.781 8.251 -10.760 1.00 20.44 N ATOM 1020 CA ARG A 68 14.467 6.904 -11.222 1.00 0.03 C ATOM 1021 C ARG A 68 13.643 6.151 -10.182 1.00 31.33 C ATOM 1022 O ARG A 68 14.169 5.704 -9.162 1.00 52.21 O ATOM 1023 CB ARG A 68 15.753 6.133 -11.525 1.00 0.01 C ATOM 1024 CG ARG A 68 15.514 4.784 -12.183 1.00 53.24 C ATOM 1025 CD ARG A 68 16.513 4.524 -13.300 1.00 54.41 C ATOM 1026 NE ARG A 68 16.285 5.394 -14.451 1.00 60.34 N ATOM 1027 CZ ARG A 68 17.040 5.379 -15.544 1.00 62.11 C ATOM 1028 NH1 ARG A 68 18.066 4.544 -15.634 1.00 31.42 N ATOM 1029 NH2 ARG A 68 16.770 6.201 -16.550 1.00 74.42 N ATOM 0 H ARG A 68 15.290 8.286 -9.877 1.00 20.44 H new ATOM 0 HA ARG A 68 13.878 6.988 -12.135 1.00 0.03 H new ATOM 0 HB2 ARG A 68 16.385 6.738 -12.175 1.00 0.01 H new ATOM 0 HB3 ARG A 68 16.304 5.982 -10.596 1.00 0.01 H new ATOM 0 HG2 ARG A 68 15.589 3.995 -11.435 1.00 53.24 H new ATOM 0 HG3 ARG A 68 14.501 4.748 -12.584 1.00 53.24 H new ATOM 0 HD2 ARG A 68 17.525 4.677 -12.924 1.00 54.41 H new ATOM 0 HD3 ARG A 68 16.444 3.482 -13.613 1.00 54.41 H new ATOM 0 HE ARG A 68 15.504 6.049 -14.414 1.00 60.34 H new ATOM 0 HH11 ARG A 68 18.277 3.911 -14.863 1.00 31.42 H new ATOM 0 HH12 ARG A 68 18.644 4.535 -16.474 1.00 31.42 H new ATOM 0 HH21 ARG A 68 15.982 6.845 -16.485 1.00 74.42 H new ATOM 0 HH22 ARG A 68 17.350 6.189 -17.389 1.00 74.42 H new ATOM 1043 N VAL A 69 12.347 6.014 -10.447 1.00 24.34 N ATOM 1044 CA VAL A 69 11.450 5.314 -9.535 1.00 4.45 C ATOM 1045 C VAL A 69 10.920 4.030 -10.162 1.00 43.12 C ATOM 1046 O VAL A 69 10.487 4.024 -11.314 1.00 13.03 O ATOM 1047 CB VAL A 69 10.260 6.203 -9.127 1.00 21.22 C ATOM 1048 CG1 VAL A 69 9.628 6.845 -10.352 1.00 62.25 C ATOM 1049 CG2 VAL A 69 9.233 5.393 -8.350 1.00 2.24 C ATOM 0 H VAL A 69 11.895 6.379 -11.286 1.00 24.34 H new ATOM 0 HA VAL A 69 12.031 5.067 -8.647 1.00 4.45 H new ATOM 0 HB VAL A 69 10.628 6.998 -8.479 1.00 21.22 H new ATOM 0 HG11 VAL A 69 8.789 7.469 -10.044 1.00 62.25 H new ATOM 0 HG12 VAL A 69 10.369 7.459 -10.864 1.00 62.25 H new ATOM 0 HG13 VAL A 69 9.272 6.067 -11.028 1.00 62.25 H new ATOM 0 HG21 VAL A 69 8.399 6.036 -8.069 1.00 2.24 H new ATOM 0 HG22 VAL A 69 8.868 4.576 -8.972 1.00 2.24 H new ATOM 0 HG23 VAL A 69 9.695 4.986 -7.451 1.00 2.24 H new ATOM 1059 N GLU A 70 10.958 2.944 -9.396 1.00 41.14 N ATOM 1060 CA GLU A 70 10.481 1.653 -9.879 1.00 4.24 C ATOM 1061 C GLU A 70 9.836 0.855 -8.749 1.00 64.12 C ATOM 1062 O GLU A 70 9.997 1.182 -7.572 1.00 70.54 O ATOM 1063 CB GLU A 70 11.635 0.854 -10.489 1.00 12.04 C ATOM 1064 CG GLU A 70 11.566 0.744 -12.002 1.00 54.35 C ATOM 1065 CD GLU A 70 12.936 0.649 -12.644 1.00 3.02 C ATOM 1066 OE1 GLU A 70 13.802 1.489 -12.320 1.00 11.03 O ATOM 1067 OE2 GLU A 70 13.144 -0.265 -13.469 1.00 55.54 O ATOM 0 H GLU A 70 11.314 2.932 -8.440 1.00 41.14 H new ATOM 0 HA GLU A 70 9.729 1.835 -10.647 1.00 4.24 H new ATOM 0 HB2 GLU A 70 12.578 1.324 -10.210 1.00 12.04 H new ATOM 0 HB3 GLU A 70 11.639 -0.148 -10.060 1.00 12.04 H new ATOM 0 HG2 GLU A 70 10.981 -0.135 -12.272 1.00 54.35 H new ATOM 0 HG3 GLU A 70 11.041 1.612 -12.402 1.00 54.35 H new ATOM 1074 N LEU A 71 9.106 -0.192 -9.115 1.00 70.45 N ATOM 1075 CA LEU A 71 8.435 -1.038 -8.134 1.00 64.31 C ATOM 1076 C LEU A 71 9.056 -2.431 -8.101 1.00 60.33 C ATOM 1077 O LEU A 71 9.139 -3.109 -9.126 1.00 3.15 O ATOM 1078 CB LEU A 71 6.943 -1.140 -8.454 1.00 40.11 C ATOM 1079 CG LEU A 71 6.550 -0.885 -9.910 1.00 12.14 C ATOM 1080 CD1 LEU A 71 7.089 -1.986 -10.809 1.00 64.01 C ATOM 1081 CD2 LEU A 71 5.038 -0.778 -10.043 1.00 33.13 C ATOM 0 H LEU A 71 8.963 -0.476 -10.084 1.00 70.45 H new ATOM 0 HA LEU A 71 8.559 -0.581 -7.152 1.00 64.31 H new ATOM 0 HB2 LEU A 71 6.599 -2.136 -8.175 1.00 40.11 H new ATOM 0 HB3 LEU A 71 6.407 -0.430 -7.824 1.00 40.11 H new ATOM 0 HG LEU A 71 6.991 0.061 -10.225 1.00 12.14 H new ATOM 0 HD11 LEU A 71 6.799 -1.788 -11.841 1.00 64.01 H new ATOM 0 HD12 LEU A 71 8.176 -2.015 -10.736 1.00 64.01 H new ATOM 0 HD13 LEU A 71 6.678 -2.946 -10.495 1.00 64.01 H new ATOM 0 HD21 LEU A 71 4.776 -0.597 -11.085 1.00 33.13 H new ATOM 0 HD22 LEU A 71 4.577 -1.708 -9.710 1.00 33.13 H new ATOM 0 HD23 LEU A 71 4.676 0.047 -9.429 1.00 33.13 H new ATOM 1093 N SER A 72 9.488 -2.853 -6.917 1.00 64.13 N ATOM 1094 CA SER A 72 10.103 -4.165 -6.751 1.00 32.01 C ATOM 1095 C SER A 72 9.051 -5.269 -6.811 1.00 45.03 C ATOM 1096 O SER A 72 9.302 -6.354 -7.337 1.00 21.23 O ATOM 1097 CB SER A 72 10.856 -4.234 -5.421 1.00 35.22 C ATOM 1098 OG SER A 72 11.114 -5.577 -5.050 1.00 62.34 O ATOM 0 H SER A 72 9.424 -2.306 -6.059 1.00 64.13 H new ATOM 0 HA SER A 72 10.809 -4.315 -7.568 1.00 32.01 H new ATOM 0 HB2 SER A 72 11.796 -3.689 -5.503 1.00 35.22 H new ATOM 0 HB3 SER A 72 10.271 -3.744 -4.642 1.00 35.22 H new ATOM 0 HG SER A 72 11.597 -5.594 -4.198 1.00 62.34 H new ATOM 1104 N THR A 73 7.871 -4.984 -6.269 1.00 25.11 N ATOM 1105 CA THR A 73 6.781 -5.951 -6.259 1.00 64.41 C ATOM 1106 C THR A 73 5.427 -5.255 -6.330 1.00 44.45 C ATOM 1107 O THR A 73 5.338 -4.035 -6.198 1.00 44.31 O ATOM 1108 CB THR A 73 6.826 -6.835 -4.998 1.00 15.31 C ATOM 1109 OG1 THR A 73 8.109 -6.730 -4.371 1.00 71.44 O ATOM 1110 CG2 THR A 73 6.542 -8.288 -5.345 1.00 73.32 C ATOM 0 H THR A 73 7.646 -4.091 -5.831 1.00 25.11 H new ATOM 0 HA THR A 73 6.909 -6.580 -7.140 1.00 64.41 H new ATOM 0 HB THR A 73 6.057 -6.486 -4.309 1.00 15.31 H new ATOM 0 HG1 THR A 73 8.145 -7.330 -3.597 1.00 71.44 H new ATOM 0 HG21 THR A 73 6.579 -8.892 -4.439 1.00 73.32 H new ATOM 0 HG22 THR A 73 5.552 -8.368 -5.794 1.00 73.32 H new ATOM 0 HG23 THR A 73 7.291 -8.646 -6.051 1.00 73.32 H new ATOM 1118 N GLY A 74 4.374 -6.038 -6.540 1.00 71.22 N ATOM 1119 CA GLY A 74 3.038 -5.478 -6.625 1.00 32.01 C ATOM 1120 C GLY A 74 2.602 -5.231 -8.056 1.00 5.44 C ATOM 1121 O GLY A 74 1.750 -4.382 -8.314 1.00 15.13 O ATOM 0 H GLY A 74 4.422 -7.051 -6.653 1.00 71.22 H new ATOM 0 HA2 GLY A 74 2.332 -6.156 -6.145 1.00 32.01 H new ATOM 0 HA3 GLY A 74 3.005 -4.540 -6.071 1.00 32.01 H new ATOM 1125 N MET A 75 3.191 -5.972 -8.988 1.00 71.42 N ATOM 1126 CA MET A 75 2.859 -5.828 -10.401 1.00 34.42 C ATOM 1127 C MET A 75 2.533 -7.182 -11.023 1.00 70.35 C ATOM 1128 O MET A 75 3.391 -7.849 -11.602 1.00 42.11 O ATOM 1129 CB MET A 75 4.017 -5.173 -11.155 1.00 10.41 C ATOM 1130 CG MET A 75 3.683 -4.822 -12.596 1.00 1.12 C ATOM 1131 SD MET A 75 5.152 -4.652 -13.627 1.00 50.55 S ATOM 1132 CE MET A 75 4.663 -3.296 -14.692 1.00 31.43 C ATOM 0 H MET A 75 3.900 -6.678 -8.791 1.00 71.42 H new ATOM 0 HA MET A 75 1.978 -5.191 -10.479 1.00 34.42 H new ATOM 0 HB2 MET A 75 4.316 -4.266 -10.629 1.00 10.41 H new ATOM 0 HB3 MET A 75 4.874 -5.846 -11.143 1.00 10.41 H new ATOM 0 HG2 MET A 75 3.038 -5.595 -13.014 1.00 1.12 H new ATOM 0 HG3 MET A 75 3.119 -3.890 -12.617 1.00 1.12 H new ATOM 0 HE1 MET A 75 5.470 -3.072 -15.389 1.00 31.43 H new ATOM 0 HE2 MET A 75 3.769 -3.575 -15.250 1.00 31.43 H new ATOM 0 HE3 MET A 75 4.452 -2.415 -14.086 1.00 31.43 H new ATOM 1142 N PRO A 76 1.264 -7.600 -10.903 1.00 61.32 N ATOM 1143 CA PRO A 76 0.797 -8.878 -11.448 1.00 74.23 C ATOM 1144 C PRO A 76 0.755 -8.878 -12.973 1.00 1.24 C ATOM 1145 O PRO A 76 0.048 -8.076 -13.583 1.00 45.24 O ATOM 1146 CB PRO A 76 -0.616 -9.013 -10.875 1.00 13.31 C ATOM 1147 CG PRO A 76 -1.053 -7.613 -10.612 1.00 53.01 C ATOM 1148 CD PRO A 76 0.188 -6.857 -10.226 1.00 60.22 C ATOM 0 HA PRO A 76 1.461 -9.701 -11.182 1.00 74.23 H new ATOM 0 HB2 PRO A 76 -1.283 -9.510 -11.579 1.00 13.31 H new ATOM 0 HB3 PRO A 76 -0.618 -9.607 -9.961 1.00 13.31 H new ATOM 0 HG2 PRO A 76 -1.517 -7.176 -11.497 1.00 53.01 H new ATOM 0 HG3 PRO A 76 -1.795 -7.579 -9.814 1.00 53.01 H new ATOM 0 HD2 PRO A 76 0.146 -5.819 -10.557 1.00 60.22 H new ATOM 0 HD3 PRO A 76 0.329 -6.841 -9.145 1.00 60.22 H new ATOM 1156 N ARG A 77 1.516 -9.782 -13.581 1.00 10.21 N ATOM 1157 CA ARG A 77 1.566 -9.885 -15.034 1.00 42.33 C ATOM 1158 C ARG A 77 1.359 -11.328 -15.485 1.00 0.23 C ATOM 1159 O ARG A 77 1.228 -12.233 -14.661 1.00 14.15 O ATOM 1160 CB ARG A 77 2.906 -9.363 -15.558 1.00 33.12 C ATOM 1161 CG ARG A 77 2.766 -8.278 -16.612 1.00 44.55 C ATOM 1162 CD ARG A 77 3.942 -8.284 -17.577 1.00 73.13 C ATOM 1163 NE ARG A 77 3.511 -8.449 -18.963 1.00 64.01 N ATOM 1164 CZ ARG A 77 4.334 -8.368 -20.003 1.00 2.12 C ATOM 1165 NH1 ARG A 77 5.624 -8.126 -19.814 1.00 40.23 N ATOM 1166 NH2 ARG A 77 3.867 -8.530 -21.234 1.00 42.42 N ATOM 0 H ARG A 77 2.106 -10.453 -13.090 1.00 10.21 H new ATOM 0 HA ARG A 77 0.761 -9.275 -15.444 1.00 42.33 H new ATOM 0 HB2 ARG A 77 3.486 -8.973 -14.722 1.00 33.12 H new ATOM 0 HB3 ARG A 77 3.471 -10.195 -15.978 1.00 33.12 H new ATOM 0 HG2 ARG A 77 1.839 -8.425 -17.166 1.00 44.55 H new ATOM 0 HG3 ARG A 77 2.697 -7.304 -16.127 1.00 44.55 H new ATOM 0 HD2 ARG A 77 4.497 -7.351 -17.478 1.00 73.13 H new ATOM 0 HD3 ARG A 77 4.625 -9.091 -17.311 1.00 73.13 H new ATOM 0 HE ARG A 77 2.525 -8.637 -19.142 1.00 64.01 H new ATOM 0 HH11 ARG A 77 5.986 -8.002 -18.869 1.00 40.23 H new ATOM 0 HH12 ARG A 77 6.254 -8.064 -20.614 1.00 40.23 H new ATOM 0 HH21 ARG A 77 2.875 -8.717 -21.383 1.00 42.42 H new ATOM 0 HH22 ARG A 77 4.500 -8.468 -22.032 1.00 42.42 H new ATOM 1180 N ARG A 78 1.330 -11.534 -16.797 1.00 64.32 N ATOM 1181 CA ARG A 78 1.137 -12.867 -17.357 1.00 5.40 C ATOM 1182 C ARG A 78 2.436 -13.667 -17.315 1.00 71.05 C ATOM 1183 O ARG A 78 2.443 -14.871 -17.572 1.00 41.11 O ATOM 1184 CB ARG A 78 0.632 -12.769 -18.797 1.00 74.44 C ATOM 1185 CG ARG A 78 1.550 -11.978 -19.714 1.00 4.35 C ATOM 1186 CD ARG A 78 1.966 -12.794 -20.927 1.00 73.51 C ATOM 1187 NE ARG A 78 0.818 -13.196 -21.736 1.00 13.32 N ATOM 1188 CZ ARG A 78 0.861 -14.164 -22.644 1.00 31.43 C ATOM 1189 NH1 ARG A 78 1.989 -14.828 -22.857 1.00 50.42 N ATOM 1190 NH2 ARG A 78 -0.226 -14.472 -23.340 1.00 50.30 N ATOM 0 H ARG A 78 1.438 -10.796 -17.492 1.00 64.32 H new ATOM 0 HA ARG A 78 0.392 -13.384 -16.752 1.00 5.40 H new ATOM 0 HB2 ARG A 78 0.510 -13.775 -19.199 1.00 74.44 H new ATOM 0 HB3 ARG A 78 -0.354 -12.304 -18.796 1.00 74.44 H new ATOM 0 HG2 ARG A 78 1.044 -11.070 -20.042 1.00 4.35 H new ATOM 0 HG3 ARG A 78 2.437 -11.667 -19.162 1.00 4.35 H new ATOM 0 HD2 ARG A 78 2.654 -12.210 -21.538 1.00 73.51 H new ATOM 0 HD3 ARG A 78 2.507 -13.682 -20.599 1.00 73.51 H new ATOM 0 HE ARG A 78 -0.066 -12.706 -21.596 1.00 13.32 H new ATOM 0 HH11 ARG A 78 2.826 -14.596 -22.323 1.00 50.42 H new ATOM 0 HH12 ARG A 78 2.019 -15.571 -23.555 1.00 50.42 H new ATOM 0 HH21 ARG A 78 -1.096 -13.965 -23.178 1.00 50.30 H new ATOM 0 HH22 ARG A 78 -0.191 -15.216 -24.037 1.00 50.30 H new ATOM 1204 N SER A 79 3.533 -12.990 -16.991 1.00 54.42 N ATOM 1205 CA SER A 79 4.838 -13.636 -16.920 1.00 74.33 C ATOM 1206 C SER A 79 4.891 -14.627 -15.762 1.00 34.45 C ATOM 1207 O SER A 79 4.148 -14.501 -14.788 1.00 1.33 O ATOM 1208 CB SER A 79 5.941 -12.589 -16.761 1.00 64.04 C ATOM 1209 OG SER A 79 6.947 -13.039 -15.870 1.00 13.23 O ATOM 0 H SER A 79 3.544 -11.994 -16.773 1.00 54.42 H new ATOM 0 HA SER A 79 4.997 -14.182 -17.850 1.00 74.33 H new ATOM 0 HB2 SER A 79 6.383 -12.371 -17.733 1.00 64.04 H new ATOM 0 HB3 SER A 79 5.512 -11.658 -16.390 1.00 64.04 H new ATOM 0 HG SER A 79 7.086 -12.369 -15.168 1.00 13.23 H new ATOM 1215 N ARG A 80 5.774 -15.614 -15.875 1.00 11.11 N ATOM 1216 CA ARG A 80 5.924 -16.628 -14.838 1.00 51.12 C ATOM 1217 C ARG A 80 6.833 -16.130 -13.718 1.00 55.00 C ATOM 1218 O ARG A 80 7.788 -16.805 -13.333 1.00 13.31 O ATOM 1219 CB ARG A 80 6.491 -17.917 -15.434 1.00 63.45 C ATOM 1220 CG ARG A 80 5.681 -18.456 -16.602 1.00 62.42 C ATOM 1221 CD ARG A 80 5.339 -19.926 -16.412 1.00 4.12 C ATOM 1222 NE ARG A 80 6.410 -20.802 -16.879 1.00 42.04 N ATOM 1223 CZ ARG A 80 6.349 -22.128 -16.831 1.00 31.05 C ATOM 1224 NH1 ARG A 80 5.274 -22.728 -16.338 1.00 11.42 N ATOM 1225 NH2 ARG A 80 7.364 -22.857 -17.276 1.00 23.24 N ATOM 0 H ARG A 80 6.396 -15.733 -16.674 1.00 11.11 H new ATOM 0 HA ARG A 80 4.939 -16.832 -14.419 1.00 51.12 H new ATOM 0 HB2 ARG A 80 7.513 -17.735 -15.765 1.00 63.45 H new ATOM 0 HB3 ARG A 80 6.539 -18.677 -14.654 1.00 63.45 H new ATOM 0 HG2 ARG A 80 4.763 -17.878 -16.707 1.00 62.42 H new ATOM 0 HG3 ARG A 80 6.245 -18.329 -17.526 1.00 62.42 H new ATOM 0 HD2 ARG A 80 5.146 -20.120 -15.357 1.00 4.12 H new ATOM 0 HD3 ARG A 80 4.420 -20.157 -16.951 1.00 4.12 H new ATOM 0 HE ARG A 80 7.251 -20.372 -17.263 1.00 42.04 H new ATOM 0 HH11 ARG A 80 4.492 -22.171 -15.995 1.00 11.42 H new ATOM 0 HH12 ARG A 80 5.230 -23.746 -16.302 1.00 11.42 H new ATOM 0 HH21 ARG A 80 8.193 -22.399 -17.656 1.00 23.24 H new ATOM 0 HH22 ARG A 80 7.316 -23.875 -17.238 1.00 23.24 H new ATOM 1239 N PHE A 81 6.529 -14.945 -13.199 1.00 53.35 N ATOM 1240 CA PHE A 81 7.319 -14.355 -12.125 1.00 34.33 C ATOM 1241 C PHE A 81 7.219 -15.194 -10.854 1.00 1.02 C ATOM 1242 O PHE A 81 6.152 -15.300 -10.249 1.00 1.41 O ATOM 1243 CB PHE A 81 6.851 -12.926 -11.844 1.00 15.11 C ATOM 1244 CG PHE A 81 7.147 -11.968 -12.962 1.00 1.43 C ATOM 1245 CD1 PHE A 81 8.394 -11.952 -13.566 1.00 0.43 C ATOM 1246 CD2 PHE A 81 6.179 -11.083 -13.409 1.00 31.01 C ATOM 1247 CE1 PHE A 81 8.670 -11.070 -14.594 1.00 33.21 C ATOM 1248 CE2 PHE A 81 6.449 -10.200 -14.437 1.00 53.51 C ATOM 1249 CZ PHE A 81 7.695 -10.194 -15.031 1.00 5.00 C ATOM 0 H PHE A 81 5.741 -14.374 -13.505 1.00 53.35 H new ATOM 0 HA PHE A 81 8.361 -14.332 -12.444 1.00 34.33 H new ATOM 0 HB2 PHE A 81 5.777 -12.934 -11.658 1.00 15.11 H new ATOM 0 HB3 PHE A 81 7.330 -12.568 -10.933 1.00 15.11 H new ATOM 0 HD1 PHE A 81 9.159 -12.636 -13.230 1.00 0.43 H new ATOM 0 HD2 PHE A 81 5.202 -11.083 -12.949 1.00 31.01 H new ATOM 0 HE1 PHE A 81 9.647 -11.066 -15.055 1.00 33.21 H new ATOM 0 HE2 PHE A 81 5.686 -9.515 -14.775 1.00 53.51 H new ATOM 0 HZ PHE A 81 7.907 -9.506 -15.836 1.00 5.00 H new ATOM 1259 N ASP A 82 8.338 -15.789 -10.456 1.00 3.44 N ATOM 1260 CA ASP A 82 8.379 -16.618 -9.257 1.00 13.13 C ATOM 1261 C ASP A 82 8.043 -15.796 -8.016 1.00 71.21 C ATOM 1262 O ASP A 82 7.441 -16.302 -7.069 1.00 24.24 O ATOM 1263 CB ASP A 82 9.758 -17.259 -9.101 1.00 24.32 C ATOM 1264 CG ASP A 82 9.689 -18.772 -9.031 1.00 31.22 C ATOM 1265 OD1 ASP A 82 8.764 -19.293 -8.373 1.00 62.43 O ATOM 1266 OD2 ASP A 82 10.560 -19.435 -9.633 1.00 12.03 O ATOM 0 H ASP A 82 9.229 -15.713 -10.946 1.00 3.44 H new ATOM 0 HA ASP A 82 7.632 -17.404 -9.363 1.00 13.13 H new ATOM 0 HB2 ASP A 82 10.389 -16.965 -9.940 1.00 24.32 H new ATOM 0 HB3 ASP A 82 10.232 -16.878 -8.197 1.00 24.32 H new ATOM 1271 N ARG A 83 8.437 -14.527 -8.029 1.00 15.12 N ATOM 1272 CA ARG A 83 8.179 -13.636 -6.904 1.00 3.11 C ATOM 1273 C ARG A 83 6.697 -13.282 -6.818 1.00 65.23 C ATOM 1274 O ARG A 83 6.094 -12.797 -7.775 1.00 54.12 O ATOM 1275 CB ARG A 83 9.012 -12.360 -7.036 1.00 5.32 C ATOM 1276 CG ARG A 83 9.725 -11.962 -5.753 1.00 63.54 C ATOM 1277 CD ARG A 83 11.168 -11.560 -6.019 1.00 75.44 C ATOM 1278 NE ARG A 83 12.028 -12.720 -6.238 1.00 73.20 N ATOM 1279 CZ ARG A 83 13.328 -12.633 -6.496 1.00 12.32 C ATOM 1280 NH1 ARG A 83 13.915 -11.446 -6.566 1.00 53.13 N ATOM 1281 NH2 ARG A 83 14.044 -13.734 -6.683 1.00 71.11 N ATOM 0 H ARG A 83 8.936 -14.093 -8.806 1.00 15.12 H new ATOM 0 HA ARG A 83 8.464 -14.156 -5.989 1.00 3.11 H new ATOM 0 HB2 ARG A 83 9.752 -12.499 -7.824 1.00 5.32 H new ATOM 0 HB3 ARG A 83 8.362 -11.543 -7.349 1.00 5.32 H new ATOM 0 HG2 ARG A 83 9.196 -11.133 -5.284 1.00 63.54 H new ATOM 0 HG3 ARG A 83 9.702 -12.794 -5.049 1.00 63.54 H new ATOM 0 HD2 ARG A 83 11.208 -10.909 -6.892 1.00 75.44 H new ATOM 0 HD3 ARG A 83 11.545 -10.983 -5.174 1.00 75.44 H new ATOM 0 HE ARG A 83 11.607 -13.648 -6.190 1.00 73.20 H new ATOM 0 HH11 ARG A 83 13.368 -10.597 -6.422 1.00 53.13 H new ATOM 0 HH12 ARG A 83 14.913 -11.382 -6.764 1.00 53.13 H new ATOM 0 HH21 ARG A 83 13.596 -14.649 -6.629 1.00 71.11 H new ATOM 0 HH22 ARG A 83 15.042 -13.666 -6.881 1.00 71.11 H new ATOM 1295 N PRO A 84 6.096 -13.531 -5.645 1.00 43.33 N ATOM 1296 CA PRO A 84 4.678 -13.246 -5.407 1.00 22.24 C ATOM 1297 C PRO A 84 4.389 -11.750 -5.350 1.00 33.24 C ATOM 1298 O PRO A 84 4.807 -11.047 -4.430 1.00 24.02 O ATOM 1299 CB PRO A 84 4.410 -13.895 -4.046 1.00 43.13 C ATOM 1300 CG PRO A 84 5.738 -13.919 -3.370 1.00 74.23 C ATOM 1301 CD PRO A 84 6.755 -14.108 -4.462 1.00 32.15 C ATOM 0 HA PRO A 84 4.045 -13.627 -6.209 1.00 22.24 H new ATOM 0 HB2 PRO A 84 3.683 -13.322 -3.470 1.00 43.13 H new ATOM 0 HB3 PRO A 84 4.005 -14.901 -4.160 1.00 43.13 H new ATOM 0 HG2 PRO A 84 5.916 -12.991 -2.827 1.00 74.23 H new ATOM 0 HG3 PRO A 84 5.791 -14.729 -2.643 1.00 74.23 H new ATOM 0 HD2 PRO A 84 7.690 -13.596 -4.233 1.00 32.15 H new ATOM 0 HD3 PRO A 84 6.995 -15.161 -4.609 1.00 32.15 H new ATOM 1309 N PRO A 85 3.655 -11.250 -6.355 1.00 0.22 N ATOM 1310 CA PRO A 85 3.292 -9.832 -6.441 1.00 24.13 C ATOM 1311 C PRO A 85 2.283 -9.426 -5.372 1.00 4.01 C ATOM 1312 O PRO A 85 1.394 -10.199 -5.019 1.00 73.51 O ATOM 1313 CB PRO A 85 2.673 -9.708 -7.835 1.00 63.21 C ATOM 1314 CG PRO A 85 2.170 -11.075 -8.149 1.00 14.32 C ATOM 1315 CD PRO A 85 3.122 -12.030 -7.485 1.00 5.34 C ATOM 0 HA PRO A 85 4.152 -9.181 -6.282 1.00 24.13 H new ATOM 0 HB2 PRO A 85 1.865 -8.977 -7.846 1.00 63.21 H new ATOM 0 HB3 PRO A 85 3.410 -9.379 -8.568 1.00 63.21 H new ATOM 0 HG2 PRO A 85 1.155 -11.213 -7.775 1.00 14.32 H new ATOM 0 HG3 PRO A 85 2.138 -11.241 -9.226 1.00 14.32 H new ATOM 0 HD2 PRO A 85 2.614 -12.933 -7.146 1.00 5.34 H new ATOM 0 HD3 PRO A 85 3.914 -12.346 -8.164 1.00 5.34 H new ATOM 1323 N ALA A 86 2.428 -8.208 -4.861 1.00 10.24 N ATOM 1324 CA ALA A 86 1.527 -7.699 -3.834 1.00 5.52 C ATOM 1325 C ALA A 86 0.269 -7.101 -4.454 1.00 43.25 C ATOM 1326 O ALA A 86 0.299 -5.997 -5.000 1.00 31.41 O ATOM 1327 CB ALA A 86 2.238 -6.663 -2.975 1.00 40.21 C ATOM 0 H ALA A 86 3.160 -7.556 -5.141 1.00 10.24 H new ATOM 0 HA ALA A 86 1.227 -8.535 -3.202 1.00 5.52 H new ATOM 0 HB1 ALA A 86 1.554 -6.291 -2.212 1.00 40.21 H new ATOM 0 HB2 ALA A 86 3.103 -7.120 -2.495 1.00 40.21 H new ATOM 0 HB3 ALA A 86 2.567 -5.834 -3.602 1.00 40.21 H new ATOM 1333 N ARG A 87 -0.834 -7.836 -4.368 1.00 72.33 N ATOM 1334 CA ARG A 87 -2.102 -7.379 -4.923 1.00 74.05 C ATOM 1335 C ARG A 87 -3.256 -8.250 -4.434 1.00 2.23 C ATOM 1336 O ARG A 87 -4.264 -8.407 -5.123 1.00 10.35 O ATOM 1337 CB ARG A 87 -2.050 -7.396 -6.452 1.00 41.03 C ATOM 1338 CG ARG A 87 -1.161 -8.491 -7.019 1.00 74.11 C ATOM 1339 CD ARG A 87 -1.530 -9.855 -6.456 1.00 51.21 C ATOM 1340 NE ARG A 87 -1.252 -10.931 -7.403 1.00 72.32 N ATOM 1341 CZ ARG A 87 -1.246 -12.218 -7.072 1.00 43.33 C ATOM 1342 NH1 ARG A 87 -1.501 -12.586 -5.824 1.00 72.05 N ATOM 1343 NH2 ARG A 87 -0.984 -13.139 -7.991 1.00 1.13 N ATOM 0 H ARG A 87 -0.875 -8.751 -3.919 1.00 72.33 H new ATOM 0 HA ARG A 87 -2.271 -6.357 -4.583 1.00 74.05 H new ATOM 0 HB2 ARG A 87 -3.061 -7.523 -6.840 1.00 41.03 H new ATOM 0 HB3 ARG A 87 -1.692 -6.429 -6.806 1.00 41.03 H new ATOM 0 HG2 ARG A 87 -1.251 -8.508 -8.105 1.00 74.11 H new ATOM 0 HG3 ARG A 87 -0.119 -8.271 -6.789 1.00 74.11 H new ATOM 0 HD2 ARG A 87 -0.974 -10.030 -5.535 1.00 51.21 H new ATOM 0 HD3 ARG A 87 -2.588 -9.866 -6.196 1.00 51.21 H new ATOM 0 HE ARG A 87 -1.051 -10.681 -8.371 1.00 72.32 H new ATOM 0 HH11 ARG A 87 -1.702 -11.881 -5.115 1.00 72.05 H new ATOM 0 HH12 ARG A 87 -1.496 -13.575 -5.573 1.00 72.05 H new ATOM 0 HH21 ARG A 87 -0.787 -12.859 -8.952 1.00 1.13 H new ATOM 0 HH22 ARG A 87 -0.980 -14.127 -7.736 1.00 1.13 H new ATOM 1357 N ARG A 88 -3.099 -8.814 -3.241 1.00 13.14 N ATOM 1358 CA ARG A 88 -4.126 -9.670 -2.660 1.00 34.04 C ATOM 1359 C ARG A 88 -5.389 -8.871 -2.351 1.00 75.22 C ATOM 1360 O ARG A 88 -5.479 -8.204 -1.321 1.00 0.34 O ATOM 1361 CB ARG A 88 -3.606 -10.334 -1.384 1.00 5.35 C ATOM 1362 CG ARG A 88 -2.729 -11.548 -1.643 1.00 33.32 C ATOM 1363 CD ARG A 88 -2.318 -12.225 -0.345 1.00 24.41 C ATOM 1364 NE ARG A 88 -0.925 -11.951 -0.002 1.00 63.14 N ATOM 1365 CZ ARG A 88 0.107 -12.556 -0.581 1.00 1.34 C ATOM 1366 NH1 ARG A 88 -0.097 -13.464 -1.525 1.00 45.41 N ATOM 1367 NH2 ARG A 88 1.346 -12.252 -0.215 1.00 31.04 N ATOM 0 H ARG A 88 -2.271 -8.694 -2.658 1.00 13.14 H new ATOM 0 HA ARG A 88 -4.374 -10.442 -3.388 1.00 34.04 H new ATOM 0 HB2 ARG A 88 -3.038 -9.602 -0.809 1.00 5.35 H new ATOM 0 HB3 ARG A 88 -4.454 -10.634 -0.769 1.00 5.35 H new ATOM 0 HG2 ARG A 88 -3.266 -12.259 -2.271 1.00 33.32 H new ATOM 0 HG3 ARG A 88 -1.839 -11.244 -2.194 1.00 33.32 H new ATOM 0 HD2 ARG A 88 -2.964 -11.882 0.463 1.00 24.41 H new ATOM 0 HD3 ARG A 88 -2.464 -13.301 -0.435 1.00 24.41 H new ATOM 0 HE ARG A 88 -0.734 -11.258 0.721 1.00 63.14 H new ATOM 0 HH11 ARG A 88 -1.048 -13.700 -1.809 1.00 45.41 H new ATOM 0 HH12 ARG A 88 0.697 -13.927 -1.968 1.00 45.41 H new ATOM 0 HH21 ARG A 88 1.507 -11.554 0.511 1.00 31.04 H new ATOM 0 HH22 ARG A 88 2.138 -12.717 -0.660 1.00 31.04 H new ATOM 1381 N LYS A 89 -6.364 -8.944 -3.252 1.00 2.23 N ATOM 1382 CA LYS A 89 -7.623 -8.229 -3.077 1.00 65.00 C ATOM 1383 C LYS A 89 -8.747 -8.910 -3.851 1.00 21.13 C ATOM 1384 O LYS A 89 -9.600 -9.579 -3.266 1.00 22.41 O ATOM 1385 CB LYS A 89 -7.477 -6.778 -3.540 1.00 11.41 C ATOM 1386 CG LYS A 89 -8.765 -5.978 -3.447 1.00 41.43 C ATOM 1387 CD LYS A 89 -8.489 -4.488 -3.328 1.00 22.21 C ATOM 1388 CE LYS A 89 -8.075 -3.889 -4.663 1.00 64.44 C ATOM 1389 NZ LYS A 89 -6.754 -3.206 -4.579 1.00 71.22 N ATOM 0 H LYS A 89 -6.306 -9.491 -4.111 1.00 2.23 H new ATOM 0 HA LYS A 89 -7.876 -8.242 -2.017 1.00 65.00 H new ATOM 0 HB2 LYS A 89 -6.711 -6.289 -2.939 1.00 11.41 H new ATOM 0 HB3 LYS A 89 -7.127 -6.768 -4.572 1.00 11.41 H new ATOM 0 HG2 LYS A 89 -9.376 -6.166 -4.330 1.00 41.43 H new ATOM 0 HG3 LYS A 89 -9.341 -6.312 -2.584 1.00 41.43 H new ATOM 0 HD2 LYS A 89 -9.381 -3.980 -2.961 1.00 22.21 H new ATOM 0 HD3 LYS A 89 -7.702 -4.320 -2.593 1.00 22.21 H new ATOM 0 HE2 LYS A 89 -8.030 -4.676 -5.416 1.00 64.44 H new ATOM 0 HE3 LYS A 89 -8.832 -3.177 -4.992 1.00 64.44 H new ATOM 0 HZ1 LYS A 89 -6.508 -2.811 -5.509 1.00 71.22 H new ATOM 0 HZ2 LYS A 89 -6.804 -2.438 -3.879 1.00 71.22 H new ATOM 0 HZ3 LYS A 89 -6.027 -3.891 -4.290 1.00 71.22 H new ATOM 1403 N LEU A 90 -8.742 -8.737 -5.168 1.00 0.23 N ATOM 1404 CA LEU A 90 -9.761 -9.336 -6.022 1.00 71.51 C ATOM 1405 C LEU A 90 -11.143 -8.782 -5.693 1.00 12.24 C ATOM 1406 O LEU A 90 -11.931 -9.422 -4.995 1.00 60.31 O ATOM 1407 CB LEU A 90 -9.758 -10.858 -5.862 1.00 51.22 C ATOM 1408 CG LEU A 90 -10.363 -11.655 -7.018 1.00 64.44 C ATOM 1409 CD1 LEU A 90 -9.346 -12.638 -7.578 1.00 44.44 C ATOM 1410 CD2 LEU A 90 -11.618 -12.386 -6.564 1.00 2.43 C ATOM 0 H LEU A 90 -8.043 -8.187 -5.668 1.00 0.23 H new ATOM 0 HA LEU A 90 -9.526 -9.084 -7.056 1.00 71.51 H new ATOM 0 HB2 LEU A 90 -8.728 -11.186 -5.720 1.00 51.22 H new ATOM 0 HB3 LEU A 90 -10.301 -11.109 -4.951 1.00 51.22 H new ATOM 0 HG LEU A 90 -10.639 -10.958 -7.809 1.00 64.44 H new ATOM 0 HD11 LEU A 90 -9.794 -13.196 -8.400 1.00 44.44 H new ATOM 0 HD12 LEU A 90 -8.475 -12.093 -7.942 1.00 44.44 H new ATOM 0 HD13 LEU A 90 -9.039 -13.330 -6.794 1.00 44.44 H new ATOM 0 HD21 LEU A 90 -12.034 -12.948 -7.400 1.00 2.43 H new ATOM 0 HD22 LEU A 90 -11.367 -13.072 -5.755 1.00 2.43 H new ATOM 0 HD23 LEU A 90 -12.353 -11.662 -6.211 1.00 2.43 H new ATOM 1422 N LEU A 91 -11.432 -7.589 -6.200 1.00 54.30 N ATOM 1423 CA LEU A 91 -12.721 -6.948 -5.962 1.00 12.12 C ATOM 1424 C LEU A 91 -13.043 -5.945 -7.065 1.00 4.41 C ATOM 1425 O LEU A 91 -14.141 -5.949 -7.619 1.00 50.04 O ATOM 1426 CB LEU A 91 -12.720 -6.246 -4.603 1.00 15.03 C ATOM 1427 CG LEU A 91 -13.774 -6.721 -3.601 1.00 61.14 C ATOM 1428 CD1 LEU A 91 -13.444 -6.223 -2.203 1.00 12.31 C ATOM 1429 CD2 LEU A 91 -15.159 -6.254 -4.023 1.00 75.11 C ATOM 0 H LEU A 91 -10.791 -7.046 -6.779 1.00 54.30 H new ATOM 0 HA LEU A 91 -13.489 -7.721 -5.964 1.00 12.12 H new ATOM 0 HB2 LEU A 91 -11.736 -6.372 -4.152 1.00 15.03 H new ATOM 0 HB3 LEU A 91 -12.860 -5.178 -4.768 1.00 15.03 H new ATOM 0 HG LEU A 91 -13.769 -7.811 -3.586 1.00 61.14 H new ATOM 0 HD11 LEU A 91 -14.205 -6.571 -1.504 1.00 12.31 H new ATOM 0 HD12 LEU A 91 -12.470 -6.607 -1.900 1.00 12.31 H new ATOM 0 HD13 LEU A 91 -13.420 -5.133 -2.201 1.00 12.31 H new ATOM 0 HD21 LEU A 91 -15.896 -6.601 -3.299 1.00 75.11 H new ATOM 0 HD22 LEU A 91 -15.178 -5.165 -4.067 1.00 75.11 H new ATOM 0 HD23 LEU A 91 -15.396 -6.661 -5.006 1.00 75.11 H new ATOM 1441 N GLU A 92 -12.076 -5.088 -7.379 1.00 2.23 N ATOM 1442 CA GLU A 92 -12.257 -4.080 -8.417 1.00 24.01 C ATOM 1443 C GLU A 92 -11.851 -4.627 -9.783 1.00 11.04 C ATOM 1444 O GLU A 92 -12.354 -4.184 -10.815 1.00 62.05 O ATOM 1445 CB GLU A 92 -11.437 -2.829 -8.093 1.00 32.14 C ATOM 1446 CG GLU A 92 -12.085 -1.538 -8.565 1.00 23.13 C ATOM 1447 CD GLU A 92 -11.660 -0.337 -7.742 1.00 22.42 C ATOM 1448 OE1 GLU A 92 -11.396 -0.509 -6.533 1.00 55.13 O ATOM 1449 OE2 GLU A 92 -11.591 0.774 -8.307 1.00 44.02 O ATOM 0 H GLU A 92 -11.160 -5.072 -6.930 1.00 2.23 H new ATOM 0 HA GLU A 92 -13.314 -3.815 -8.450 1.00 24.01 H new ATOM 0 HB2 GLU A 92 -11.282 -2.775 -7.015 1.00 32.14 H new ATOM 0 HB3 GLU A 92 -10.453 -2.921 -8.552 1.00 32.14 H new ATOM 0 HG2 GLU A 92 -11.827 -1.367 -9.610 1.00 23.13 H new ATOM 0 HG3 GLU A 92 -13.169 -1.641 -8.517 1.00 23.13 H new ATOM 1456 N VAL A 93 -10.938 -5.593 -9.779 1.00 44.34 N ATOM 1457 CA VAL A 93 -10.464 -6.201 -11.017 1.00 31.22 C ATOM 1458 C VAL A 93 -11.237 -7.477 -11.333 1.00 11.22 C ATOM 1459 O VAL A 93 -11.719 -8.164 -10.431 1.00 4.42 O ATOM 1460 CB VAL A 93 -8.961 -6.530 -10.941 1.00 73.13 C ATOM 1461 CG1 VAL A 93 -8.439 -6.958 -12.304 1.00 70.03 C ATOM 1462 CG2 VAL A 93 -8.181 -5.336 -10.413 1.00 41.11 C ATOM 0 H VAL A 93 -10.512 -5.971 -8.933 1.00 44.34 H new ATOM 0 HA VAL A 93 -10.629 -5.473 -11.811 1.00 31.22 H new ATOM 0 HB VAL A 93 -8.823 -7.360 -10.248 1.00 73.13 H new ATOM 0 HG11 VAL A 93 -7.376 -7.186 -12.231 1.00 70.03 H new ATOM 0 HG12 VAL A 93 -8.978 -7.844 -12.638 1.00 70.03 H new ATOM 0 HG13 VAL A 93 -8.588 -6.150 -13.021 1.00 70.03 H new ATOM 0 HG21 VAL A 93 -7.121 -5.586 -10.366 1.00 41.11 H new ATOM 0 HG22 VAL A 93 -8.324 -4.485 -11.079 1.00 41.11 H new ATOM 0 HG23 VAL A 93 -8.538 -5.080 -9.415 1.00 41.11 H new ATOM 1472 N LEU A 94 -11.352 -7.789 -12.619 1.00 1.11 N ATOM 1473 CA LEU A 94 -12.066 -8.984 -13.055 1.00 54.44 C ATOM 1474 C LEU A 94 -11.720 -9.328 -14.500 1.00 41.24 C ATOM 1475 O LEU A 94 -11.091 -8.537 -15.204 1.00 60.32 O ATOM 1476 CB LEU A 94 -13.576 -8.779 -12.916 1.00 1.52 C ATOM 1477 CG LEU A 94 -14.229 -7.872 -13.959 1.00 53.24 C ATOM 1478 CD1 LEU A 94 -13.387 -6.626 -14.186 1.00 53.04 C ATOM 1479 CD2 LEU A 94 -14.435 -8.624 -15.266 1.00 22.30 C ATOM 0 H LEU A 94 -10.960 -7.231 -13.378 1.00 1.11 H new ATOM 0 HA LEU A 94 -11.758 -9.814 -12.419 1.00 54.44 H new ATOM 0 HB2 LEU A 94 -14.060 -9.755 -12.958 1.00 1.52 H new ATOM 0 HB3 LEU A 94 -13.777 -8.366 -11.928 1.00 1.52 H new ATOM 0 HG LEU A 94 -15.204 -7.563 -13.583 1.00 53.24 H new ATOM 0 HD11 LEU A 94 -13.868 -5.993 -14.932 1.00 53.04 H new ATOM 0 HD12 LEU A 94 -13.291 -6.076 -13.250 1.00 53.04 H new ATOM 0 HD13 LEU A 94 -12.397 -6.915 -14.540 1.00 53.04 H new ATOM 0 HD21 LEU A 94 -14.901 -7.963 -15.997 1.00 22.30 H new ATOM 0 HD22 LEU A 94 -13.472 -8.964 -15.646 1.00 22.30 H new ATOM 0 HD23 LEU A 94 -15.080 -9.485 -15.093 1.00 22.30 H new ATOM 1491 N PHE A 95 -12.136 -10.512 -14.937 1.00 52.22 N ATOM 1492 CA PHE A 95 -11.871 -10.961 -16.299 1.00 50.52 C ATOM 1493 C PHE A 95 -13.133 -11.531 -16.939 1.00 53.34 C ATOM 1494 O PHE A 95 -13.973 -12.121 -16.262 1.00 33.02 O ATOM 1495 CB PHE A 95 -10.762 -12.015 -16.305 1.00 10.34 C ATOM 1496 CG PHE A 95 -9.382 -11.433 -16.196 1.00 25.12 C ATOM 1497 CD1 PHE A 95 -8.815 -11.186 -14.955 1.00 54.05 C ATOM 1498 CD2 PHE A 95 -8.650 -11.134 -17.334 1.00 3.14 C ATOM 1499 CE1 PHE A 95 -7.546 -10.650 -14.853 1.00 24.13 C ATOM 1500 CE2 PHE A 95 -7.379 -10.598 -17.237 1.00 32.30 C ATOM 1501 CZ PHE A 95 -6.826 -10.357 -15.995 1.00 31.03 C ATOM 0 H PHE A 95 -12.658 -11.178 -14.368 1.00 52.22 H new ATOM 0 HA PHE A 95 -11.546 -10.099 -16.882 1.00 50.52 H new ATOM 0 HB2 PHE A 95 -10.923 -12.705 -15.477 1.00 10.34 H new ATOM 0 HB3 PHE A 95 -10.830 -12.598 -17.224 1.00 10.34 H new ATOM 0 HD1 PHE A 95 -9.372 -11.415 -14.058 1.00 54.05 H new ATOM 0 HD2 PHE A 95 -9.077 -11.322 -18.308 1.00 3.14 H new ATOM 0 HE1 PHE A 95 -7.117 -10.460 -13.880 1.00 24.13 H new ATOM 0 HE2 PHE A 95 -6.819 -10.368 -18.132 1.00 32.30 H new ATOM 0 HZ PHE A 95 -5.833 -9.940 -15.916 1.00 31.03 H new ATOM 1511 N ASN A 96 -13.259 -11.348 -18.250 1.00 20.40 N ATOM 1512 CA ASN A 96 -14.419 -11.843 -18.983 1.00 21.23 C ATOM 1513 C ASN A 96 -14.110 -11.966 -20.472 1.00 1.33 C ATOM 1514 O ASN A 96 -15.006 -11.883 -21.311 1.00 65.31 O ATOM 1515 CB ASN A 96 -15.615 -10.913 -18.774 1.00 13.45 C ATOM 1516 CG ASN A 96 -16.828 -11.644 -18.232 1.00 14.45 C ATOM 1517 OD1 ASN A 96 -17.911 -11.590 -18.815 1.00 31.00 O ATOM 1518 ND2 ASN A 96 -16.652 -12.331 -17.109 1.00 70.43 N ATOM 0 H ASN A 96 -12.572 -10.861 -18.826 1.00 20.40 H new ATOM 0 HA ASN A 96 -14.665 -12.833 -18.598 1.00 21.23 H new ATOM 0 HB2 ASN A 96 -15.336 -10.116 -18.084 1.00 13.45 H new ATOM 0 HB3 ASN A 96 -15.873 -10.439 -19.721 1.00 13.45 H new ATOM 0 HD21 ASN A 96 -17.432 -12.842 -16.696 1.00 70.43 H new ATOM 0 HD22 ASN A 96 -15.736 -12.348 -16.660 1.00 70.43 H new ATOM 1525 N GLY A 97 -12.835 -12.164 -20.792 1.00 4.02 N ATOM 1526 CA GLY A 97 -12.430 -12.295 -22.179 1.00 62.42 C ATOM 1527 C GLY A 97 -12.457 -10.973 -22.919 1.00 12.41 C ATOM 1528 O GLY A 97 -13.269 -10.757 -23.819 1.00 13.22 O ATOM 0 H GLY A 97 -12.075 -12.236 -20.115 1.00 4.02 H new ATOM 0 HA2 GLY A 97 -11.424 -12.711 -22.222 1.00 62.42 H new ATOM 0 HA3 GLY A 97 -13.090 -13.002 -22.681 1.00 62.42 H new ATOM 1532 N PRO A 98 -11.553 -10.058 -22.537 1.00 54.13 N ATOM 1533 CA PRO A 98 -11.458 -8.733 -23.157 1.00 63.02 C ATOM 1534 C PRO A 98 -10.932 -8.799 -24.587 1.00 54.33 C ATOM 1535 O PRO A 98 -11.222 -7.926 -25.407 1.00 12.13 O ATOM 1536 CB PRO A 98 -10.467 -7.991 -22.257 1.00 44.01 C ATOM 1537 CG PRO A 98 -9.641 -9.065 -21.637 1.00 44.32 C ATOM 1538 CD PRO A 98 -10.555 -10.247 -21.472 1.00 2.03 C ATOM 0 HA PRO A 98 -12.431 -8.248 -23.234 1.00 63.02 H new ATOM 0 HB2 PRO A 98 -9.851 -7.300 -22.832 1.00 44.01 H new ATOM 0 HB3 PRO A 98 -10.984 -7.402 -21.499 1.00 44.01 H new ATOM 0 HG2 PRO A 98 -8.789 -9.316 -22.269 1.00 44.32 H new ATOM 0 HG3 PRO A 98 -9.241 -8.744 -20.675 1.00 44.32 H new ATOM 0 HD2 PRO A 98 -10.018 -11.189 -21.587 1.00 2.03 H new ATOM 0 HD3 PRO A 98 -11.018 -10.262 -20.485 1.00 2.03 H new ATOM 1546 N LEU A 99 -10.159 -9.838 -24.881 1.00 71.13 N ATOM 1547 CA LEU A 99 -9.593 -10.018 -26.214 1.00 34.12 C ATOM 1548 C LEU A 99 -10.389 -11.048 -27.009 1.00 34.12 C ATOM 1549 O LEU A 99 -11.007 -11.945 -26.436 1.00 64.52 O ATOM 1550 CB LEU A 99 -8.130 -10.454 -26.114 1.00 15.13 C ATOM 1551 CG LEU A 99 -7.087 -9.366 -26.371 1.00 70.34 C ATOM 1552 CD1 LEU A 99 -6.884 -8.515 -25.127 1.00 75.34 C ATOM 1553 CD2 LEU A 99 -5.770 -9.985 -26.817 1.00 31.45 C ATOM 0 H LEU A 99 -9.909 -10.569 -24.215 1.00 71.13 H new ATOM 0 HA LEU A 99 -9.646 -9.063 -26.736 1.00 34.12 H new ATOM 0 HB2 LEU A 99 -7.961 -10.864 -25.118 1.00 15.13 H new ATOM 0 HB3 LEU A 99 -7.964 -11.264 -26.824 1.00 15.13 H new ATOM 0 HG LEU A 99 -7.452 -8.721 -27.171 1.00 70.34 H new ATOM 0 HD11 LEU A 99 -6.138 -7.746 -25.330 1.00 75.34 H new ATOM 0 HD12 LEU A 99 -7.827 -8.042 -24.852 1.00 75.34 H new ATOM 0 HD13 LEU A 99 -6.541 -9.146 -24.307 1.00 75.34 H new ATOM 0 HD21 LEU A 99 -5.039 -9.196 -26.995 1.00 31.45 H new ATOM 0 HD22 LEU A 99 -5.400 -10.653 -26.039 1.00 31.45 H new ATOM 0 HD23 LEU A 99 -5.926 -10.550 -27.736 1.00 31.45 H new ATOM 1565 N GLU A 100 -10.368 -10.913 -28.331 1.00 53.21 N ATOM 1566 CA GLU A 100 -11.087 -11.833 -29.204 1.00 74.11 C ATOM 1567 C GLU A 100 -10.197 -13.003 -29.613 1.00 21.01 C ATOM 1568 O GLU A 100 -10.567 -13.811 -30.465 1.00 60.31 O ATOM 1569 CB GLU A 100 -11.591 -11.101 -30.450 1.00 64.30 C ATOM 1570 CG GLU A 100 -10.476 -10.557 -31.328 1.00 72.42 C ATOM 1571 CD GLU A 100 -10.997 -9.721 -32.480 1.00 51.44 C ATOM 1572 OE1 GLU A 100 -11.499 -8.606 -32.226 1.00 32.14 O ATOM 1573 OE2 GLU A 100 -10.902 -10.181 -33.638 1.00 11.04 O ATOM 0 H GLU A 100 -9.861 -10.176 -28.821 1.00 53.21 H new ATOM 0 HA GLU A 100 -11.941 -12.225 -28.651 1.00 74.11 H new ATOM 0 HB2 GLU A 100 -12.206 -11.783 -31.038 1.00 64.30 H new ATOM 0 HB3 GLU A 100 -12.234 -10.277 -30.142 1.00 64.30 H new ATOM 0 HG2 GLU A 100 -9.802 -9.952 -30.721 1.00 72.42 H new ATOM 0 HG3 GLU A 100 -9.891 -11.388 -31.722 1.00 72.42 H new ATOM 1580 N HIS A 101 -9.021 -13.086 -28.999 1.00 64.44 N ATOM 1581 CA HIS A 101 -8.076 -14.157 -29.299 1.00 34.01 C ATOM 1582 C HIS A 101 -7.698 -14.150 -30.777 1.00 31.20 C ATOM 1583 O HIS A 101 -6.522 -14.038 -31.126 1.00 35.10 O ATOM 1584 CB HIS A 101 -8.673 -15.513 -28.919 1.00 41.34 C ATOM 1585 CG HIS A 101 -7.901 -16.678 -29.457 1.00 31.31 C ATOM 1586 ND1 HIS A 101 -8.289 -17.387 -30.574 1.00 50.14 N ATOM 1587 CD2 HIS A 101 -6.756 -17.257 -29.025 1.00 35.33 C ATOM 1588 CE1 HIS A 101 -7.417 -18.352 -30.805 1.00 74.43 C ATOM 1589 NE2 HIS A 101 -6.477 -18.295 -29.879 1.00 72.24 N ATOM 0 H HIS A 101 -8.699 -12.425 -28.291 1.00 64.44 H new ATOM 0 HA HIS A 101 -7.174 -13.988 -28.711 1.00 34.01 H new ATOM 0 HB2 HIS A 101 -8.720 -15.589 -27.833 1.00 41.34 H new ATOM 0 HB3 HIS A 101 -9.698 -15.566 -29.286 1.00 41.34 H new ATOM 0 HD2 HIS A 101 -6.171 -16.958 -28.168 1.00 35.33 H new ATOM 0 HE1 HIS A 101 -7.465 -19.066 -31.614 1.00 74.43 H new ATOM 0 HE2 HIS A 101 -5.674 -18.920 -29.810 1.00 72.24 H new TER 1597 HIS A 101