USER MOD reduce.3.24.130724 H: found=0, std=0, add=508, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 509 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 77 ASN : amide:sc= 0.0635 X(o=0.07,f=0.36) USER MOD Set 1.2: A 80 SER OG : rot -140:sc= 0.00631 USER MOD Single : A 9 TYR OH : rot 180:sc= -0.626 USER MOD Single : A 11 HIS : no HE2:sc= -0.194 K(o=-0.19,f=-2.3) USER MOD Single : A 13 ASN : amide:sc= -0.128 K(o=-0.13,f=-1.6!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 45:sc= 0.708 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot -83:sc= 0.892 USER MOD Single : A 38 SER OG : rot -150:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 50:sc= 0.637 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.0229 K(o=-0.023,f=-1.4!) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= -1.07 USER MOD Single : A 66 TYR OH : rot 180:sc= -0.572 USER MOD Single : A 67 SER OG : rot 62:sc= 0.854 USER MOD Single : A 68 SER OG : rot 83:sc= 1.23 USER MOD Single : A 71 SER OG : rot -42:sc= 0.919 USER MOD Single : A 78 SER OG : rot 180:sc= -0.192 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= -4.86! C(o=-4.9!,f=-9.9!) USER MOD ----------------------------------------------------------------- ATOM 52 N GLU A 5 -6.397 1.492 -8.500 1.00 72.34 N ATOM 53 CA GLU A 5 -7.829 1.269 -8.334 1.00 64.24 C ATOM 54 C GLU A 5 -8.567 1.472 -9.654 1.00 75.20 C ATOM 55 O GLU A 5 -8.564 2.566 -10.219 1.00 22.23 O ATOM 56 CB GLU A 5 -8.394 2.212 -7.270 1.00 71.33 C ATOM 57 CG GLU A 5 -7.896 1.914 -5.866 1.00 71.51 C ATOM 58 CD GLU A 5 -7.951 3.127 -4.958 1.00 22.52 C ATOM 59 OE1 GLU A 5 -6.982 3.914 -4.960 1.00 2.12 O ATOM 60 OE2 GLU A 5 -8.964 3.288 -4.245 1.00 64.01 O ATOM 0 HA GLU A 5 -7.976 0.239 -8.010 1.00 64.24 H new ATOM 0 HB2 GLU A 5 -8.132 3.238 -7.529 1.00 71.33 H new ATOM 0 HB3 GLU A 5 -9.482 2.149 -7.281 1.00 71.33 H new ATOM 0 HG2 GLU A 5 -8.497 1.114 -5.434 1.00 71.51 H new ATOM 0 HG3 GLU A 5 -6.870 1.550 -5.918 1.00 71.51 H new ATOM 67 N VAL A 6 -9.200 0.409 -10.141 1.00 35.03 N ATOM 68 CA VAL A 6 -9.944 0.469 -11.393 1.00 53.32 C ATOM 69 C VAL A 6 -11.387 0.018 -11.198 1.00 14.23 C ATOM 70 O VAL A 6 -11.674 -1.179 -11.155 1.00 3.31 O ATOM 71 CB VAL A 6 -9.288 -0.404 -12.479 1.00 24.13 C ATOM 72 CG1 VAL A 6 -10.211 -0.550 -13.678 1.00 53.33 C ATOM 73 CG2 VAL A 6 -7.947 0.183 -12.895 1.00 74.24 C ATOM 0 H VAL A 6 -9.212 -0.504 -9.687 1.00 35.03 H new ATOM 0 HA VAL A 6 -9.932 1.510 -11.717 1.00 53.32 H new ATOM 0 HB VAL A 6 -9.112 -1.397 -12.065 1.00 24.13 H new ATOM 0 HG11 VAL A 6 -9.730 -1.170 -14.434 1.00 53.33 H new ATOM 0 HG12 VAL A 6 -11.144 -1.019 -13.364 1.00 53.33 H new ATOM 0 HG13 VAL A 6 -10.422 0.434 -14.096 1.00 53.33 H new ATOM 0 HG21 VAL A 6 -7.497 -0.446 -13.663 1.00 74.24 H new ATOM 0 HG22 VAL A 6 -8.097 1.188 -13.291 1.00 74.24 H new ATOM 0 HG23 VAL A 6 -7.286 0.229 -12.030 1.00 74.24 H new ATOM 83 N ILE A 7 -12.292 0.984 -11.080 1.00 35.21 N ATOM 84 CA ILE A 7 -13.707 0.686 -10.891 1.00 24.34 C ATOM 85 C ILE A 7 -14.521 1.080 -12.118 1.00 63.33 C ATOM 86 O ILE A 7 -14.772 2.261 -12.357 1.00 11.00 O ATOM 87 CB ILE A 7 -14.275 1.412 -9.657 1.00 22.10 C ATOM 88 CG1 ILE A 7 -15.795 1.248 -9.597 1.00 21.02 C ATOM 89 CG2 ILE A 7 -13.896 2.885 -9.689 1.00 13.04 C ATOM 90 CD1 ILE A 7 -16.320 0.989 -8.202 1.00 40.00 C ATOM 0 H ILE A 7 -12.071 1.979 -11.112 1.00 35.21 H new ATOM 0 HA ILE A 7 -13.785 -0.390 -10.737 1.00 24.34 H new ATOM 0 HB ILE A 7 -13.845 0.966 -8.760 1.00 22.10 H new ATOM 0 HG12 ILE A 7 -16.265 2.148 -9.992 1.00 21.02 H new ATOM 0 HG13 ILE A 7 -16.089 0.423 -10.246 1.00 21.02 H new ATOM 0 HG21 ILE A 7 -14.304 3.385 -8.811 1.00 13.04 H new ATOM 0 HG22 ILE A 7 -12.810 2.981 -9.689 1.00 13.04 H new ATOM 0 HG23 ILE A 7 -14.301 3.346 -10.590 1.00 13.04 H new ATOM 0 HD11 ILE A 7 -17.404 0.883 -8.235 1.00 40.00 H new ATOM 0 HD12 ILE A 7 -15.878 0.073 -7.811 1.00 40.00 H new ATOM 0 HD13 ILE A 7 -16.057 1.824 -7.553 1.00 40.00 H new ATOM 102 N VAL A 8 -14.932 0.082 -12.894 1.00 72.21 N ATOM 103 CA VAL A 8 -15.721 0.323 -14.096 1.00 50.32 C ATOM 104 C VAL A 8 -17.029 -0.459 -14.062 1.00 21.33 C ATOM 105 O VAL A 8 -17.162 -1.433 -13.320 1.00 74.23 O ATOM 106 CB VAL A 8 -14.939 -0.060 -15.367 1.00 35.21 C ATOM 107 CG1 VAL A 8 -13.580 0.623 -15.384 1.00 73.44 C ATOM 108 CG2 VAL A 8 -14.788 -1.571 -15.463 1.00 3.30 C ATOM 0 H VAL A 8 -14.731 -0.901 -12.711 1.00 72.21 H new ATOM 0 HA VAL A 8 -15.941 1.390 -14.121 1.00 50.32 H new ATOM 0 HB VAL A 8 -15.501 0.282 -16.236 1.00 35.21 H new ATOM 0 HG11 VAL A 8 -13.042 0.341 -16.289 1.00 73.44 H new ATOM 0 HG12 VAL A 8 -13.716 1.704 -15.365 1.00 73.44 H new ATOM 0 HG13 VAL A 8 -13.007 0.314 -14.510 1.00 73.44 H new ATOM 0 HG21 VAL A 8 -14.233 -1.825 -16.366 1.00 3.30 H new ATOM 0 HG22 VAL A 8 -14.248 -1.939 -14.590 1.00 3.30 H new ATOM 0 HG23 VAL A 8 -15.774 -2.034 -15.501 1.00 3.30 H new ATOM 118 N TYR A 9 -17.992 -0.028 -14.869 1.00 5.42 N ATOM 119 CA TYR A 9 -19.291 -0.687 -14.930 1.00 3.44 C ATOM 120 C TYR A 9 -19.554 -1.245 -16.325 1.00 4.21 C ATOM 121 O TYR A 9 -19.246 -0.604 -17.329 1.00 40.12 O ATOM 122 CB TYR A 9 -20.401 0.292 -14.542 1.00 61.40 C ATOM 123 CG TYR A 9 -20.530 0.500 -13.050 1.00 53.51 C ATOM 124 CD1 TYR A 9 -19.451 0.942 -12.295 1.00 0.43 C ATOM 125 CD2 TYR A 9 -21.731 0.255 -12.396 1.00 10.13 C ATOM 126 CE1 TYR A 9 -19.564 1.134 -10.931 1.00 51.02 C ATOM 127 CE2 TYR A 9 -21.854 0.445 -11.033 1.00 43.40 C ATOM 128 CZ TYR A 9 -20.768 0.885 -10.305 1.00 64.32 C ATOM 129 OH TYR A 9 -20.885 1.074 -8.947 1.00 54.13 O ATOM 0 H TYR A 9 -17.897 0.775 -15.490 1.00 5.42 H new ATOM 0 HA TYR A 9 -19.283 -1.516 -14.223 1.00 3.44 H new ATOM 0 HB2 TYR A 9 -20.210 1.253 -15.019 1.00 61.40 H new ATOM 0 HB3 TYR A 9 -21.350 -0.074 -14.933 1.00 61.40 H new ATOM 0 HD1 TYR A 9 -18.508 1.139 -12.782 1.00 0.43 H new ATOM 0 HD2 TYR A 9 -22.583 -0.090 -12.963 1.00 10.13 H new ATOM 0 HE1 TYR A 9 -18.715 1.477 -10.359 1.00 51.02 H new ATOM 0 HE2 TYR A 9 -22.795 0.250 -10.540 1.00 43.40 H new ATOM 0 HH TYR A 9 -21.797 0.855 -8.664 1.00 54.13 H new ATOM 139 N GLU A 10 -20.126 -2.444 -16.377 1.00 45.25 N ATOM 140 CA GLU A 10 -20.430 -3.089 -17.649 1.00 71.02 C ATOM 141 C GLU A 10 -21.866 -2.799 -18.076 1.00 72.32 C ATOM 142 O GLU A 10 -22.492 -3.599 -18.773 1.00 42.33 O ATOM 143 CB GLU A 10 -20.212 -4.600 -17.545 1.00 14.02 C ATOM 144 CG GLU A 10 -19.290 -5.157 -18.616 1.00 24.44 C ATOM 145 CD GLU A 10 -17.963 -4.427 -18.680 1.00 44.53 C ATOM 146 OE1 GLU A 10 -17.542 -3.867 -17.646 1.00 41.25 O ATOM 147 OE2 GLU A 10 -17.345 -4.415 -19.766 1.00 2.14 O ATOM 0 H GLU A 10 -20.388 -2.987 -15.554 1.00 45.25 H new ATOM 0 HA GLU A 10 -19.756 -2.683 -18.403 1.00 71.02 H new ATOM 0 HB2 GLU A 10 -19.797 -4.832 -16.564 1.00 14.02 H new ATOM 0 HB3 GLU A 10 -21.177 -5.103 -17.610 1.00 14.02 H new ATOM 0 HG2 GLU A 10 -19.110 -6.214 -18.421 1.00 24.44 H new ATOM 0 HG3 GLU A 10 -19.784 -5.091 -19.585 1.00 24.44 H new ATOM 154 N HIS A 11 -22.383 -1.650 -17.652 1.00 70.31 N ATOM 155 CA HIS A 11 -23.745 -1.254 -17.990 1.00 75.01 C ATOM 156 C HIS A 11 -24.054 0.141 -17.455 1.00 41.21 C ATOM 157 O HIS A 11 -23.159 0.855 -17.002 1.00 15.15 O ATOM 158 CB HIS A 11 -24.747 -2.262 -17.426 1.00 71.11 C ATOM 159 CG HIS A 11 -25.827 -2.639 -18.393 1.00 42.13 C ATOM 160 ND1 HIS A 11 -27.135 -2.223 -18.260 1.00 61.24 N ATOM 161 CD2 HIS A 11 -25.786 -3.396 -19.514 1.00 73.34 C ATOM 162 CE1 HIS A 11 -27.853 -2.710 -19.257 1.00 24.00 C ATOM 163 NE2 HIS A 11 -27.058 -3.425 -20.032 1.00 63.25 N ATOM 0 H HIS A 11 -21.879 -0.977 -17.074 1.00 70.31 H new ATOM 0 HA HIS A 11 -23.832 -1.235 -19.076 1.00 75.01 H new ATOM 0 HB2 HIS A 11 -24.212 -3.162 -17.122 1.00 71.11 H new ATOM 0 HB3 HIS A 11 -25.204 -1.844 -16.529 1.00 71.11 H new ATOM 0 HD1 HIS A 11 -27.492 -1.632 -17.510 1.00 61.24 H new ATOM 0 HD2 HIS A 11 -24.916 -3.886 -19.925 1.00 73.34 H new ATOM 0 HE1 HIS A 11 -28.910 -2.550 -19.412 1.00 24.00 H new ATOM 171 N VAL A 12 -25.326 0.524 -17.512 1.00 63.22 N ATOM 172 CA VAL A 12 -25.752 1.833 -17.033 1.00 53.23 C ATOM 173 C VAL A 12 -25.490 1.984 -15.539 1.00 51.11 C ATOM 174 O VAL A 12 -25.437 0.998 -14.805 1.00 44.15 O ATOM 175 CB VAL A 12 -27.249 2.071 -17.307 1.00 72.33 C ATOM 176 CG1 VAL A 12 -28.103 1.162 -16.435 1.00 45.51 C ATOM 177 CG2 VAL A 12 -27.607 3.532 -17.080 1.00 22.31 C ATOM 0 H VAL A 12 -26.079 -0.054 -17.885 1.00 63.22 H new ATOM 0 HA VAL A 12 -25.168 2.575 -17.578 1.00 53.23 H new ATOM 0 HB VAL A 12 -27.452 1.829 -18.350 1.00 72.33 H new ATOM 0 HG11 VAL A 12 -29.157 1.344 -16.642 1.00 45.51 H new ATOM 0 HG12 VAL A 12 -27.865 0.121 -16.653 1.00 45.51 H new ATOM 0 HG13 VAL A 12 -27.899 1.369 -15.384 1.00 45.51 H new ATOM 0 HG21 VAL A 12 -28.668 3.682 -17.278 1.00 22.31 H new ATOM 0 HG22 VAL A 12 -27.389 3.804 -16.047 1.00 22.31 H new ATOM 0 HG23 VAL A 12 -27.021 4.159 -17.752 1.00 22.31 H new ATOM 187 N ASN A 13 -25.328 3.226 -15.095 1.00 3.22 N ATOM 188 CA ASN A 13 -25.071 3.507 -13.687 1.00 21.21 C ATOM 189 C ASN A 13 -26.118 2.841 -12.800 1.00 13.04 C ATOM 190 O ASN A 13 -25.788 2.040 -11.925 1.00 30.10 O ATOM 191 CB ASN A 13 -25.062 5.017 -13.440 1.00 32.33 C ATOM 192 CG ASN A 13 -24.442 5.380 -12.105 1.00 1.54 C ATOM 193 OD1 ASN A 13 -24.882 4.912 -11.055 1.00 32.13 O ATOM 194 ND2 ASN A 13 -23.414 6.220 -12.139 1.00 42.32 N ATOM 0 H ASN A 13 -25.370 4.054 -15.689 1.00 3.22 H new ATOM 0 HA ASN A 13 -24.093 3.099 -13.433 1.00 21.21 H new ATOM 0 HB2 ASN A 13 -24.510 5.510 -14.240 1.00 32.33 H new ATOM 0 HB3 ASN A 13 -26.084 5.395 -13.478 1.00 32.33 H new ATOM 0 HD21 ASN A 13 -22.956 6.501 -11.272 1.00 42.32 H new ATOM 0 HD22 ASN A 13 -23.082 6.584 -13.032 1.00 42.32 H new ATOM 201 N PHE A 14 -27.383 3.178 -13.032 1.00 23.34 N ATOM 202 CA PHE A 14 -28.479 2.613 -12.254 1.00 13.24 C ATOM 203 C PHE A 14 -28.983 1.318 -12.884 1.00 53.32 C ATOM 204 O PHE A 14 -30.188 1.093 -12.986 1.00 74.33 O ATOM 205 CB PHE A 14 -29.626 3.620 -12.144 1.00 0.25 C ATOM 206 CG PHE A 14 -29.870 4.391 -13.409 1.00 52.22 C ATOM 207 CD1 PHE A 14 -30.142 3.731 -14.597 1.00 15.15 C ATOM 208 CD2 PHE A 14 -29.827 5.776 -13.412 1.00 11.14 C ATOM 209 CE1 PHE A 14 -30.368 4.438 -15.763 1.00 31.40 C ATOM 210 CE2 PHE A 14 -30.052 6.488 -14.575 1.00 33.23 C ATOM 211 CZ PHE A 14 -30.322 5.818 -15.752 1.00 62.21 C ATOM 0 H PHE A 14 -27.674 3.839 -13.752 1.00 23.34 H new ATOM 0 HA PHE A 14 -28.104 2.388 -11.255 1.00 13.24 H new ATOM 0 HB2 PHE A 14 -30.538 3.091 -11.869 1.00 0.25 H new ATOM 0 HB3 PHE A 14 -29.408 4.320 -11.338 1.00 0.25 H new ATOM 0 HD1 PHE A 14 -30.178 2.652 -14.612 1.00 15.15 H new ATOM 0 HD2 PHE A 14 -29.615 6.305 -12.495 1.00 11.14 H new ATOM 0 HE1 PHE A 14 -30.580 3.912 -16.682 1.00 31.40 H new ATOM 0 HE2 PHE A 14 -30.017 7.567 -14.563 1.00 33.23 H new ATOM 0 HZ PHE A 14 -30.497 6.372 -16.662 1.00 62.21 H new ATOM 221 N GLY A 15 -28.050 0.470 -13.307 1.00 13.34 N ATOM 222 CA GLY A 15 -28.419 -0.791 -13.923 1.00 25.04 C ATOM 223 C GLY A 15 -27.212 -1.589 -14.376 1.00 50.34 C ATOM 224 O GLY A 15 -27.212 -2.163 -15.464 1.00 50.35 O ATOM 0 H GLY A 15 -27.046 0.634 -13.234 1.00 13.34 H new ATOM 0 HA2 GLY A 15 -28.997 -1.383 -13.214 1.00 25.04 H new ATOM 0 HA3 GLY A 15 -29.066 -0.598 -14.779 1.00 25.04 H new ATOM 228 N GLY A 16 -26.179 -1.624 -13.540 1.00 42.41 N ATOM 229 CA GLY A 16 -24.974 -2.358 -13.880 1.00 10.11 C ATOM 230 C GLY A 16 -24.182 -2.771 -12.655 1.00 72.32 C ATOM 231 O GLY A 16 -24.421 -2.274 -11.555 1.00 0.43 O ATOM 0 H GLY A 16 -26.155 -1.157 -12.633 1.00 42.41 H new ATOM 0 HA2 GLY A 16 -25.242 -3.246 -14.452 1.00 10.11 H new ATOM 0 HA3 GLY A 16 -24.346 -1.742 -14.524 1.00 10.11 H new ATOM 235 N LYS A 17 -23.237 -3.686 -12.845 1.00 33.04 N ATOM 236 CA LYS A 17 -22.407 -4.168 -11.747 1.00 51.21 C ATOM 237 C LYS A 17 -21.151 -3.315 -11.600 1.00 12.31 C ATOM 238 O LYS A 17 -20.677 -2.720 -12.567 1.00 44.24 O ATOM 239 CB LYS A 17 -22.019 -5.630 -11.978 1.00 31.14 C ATOM 240 CG LYS A 17 -20.848 -5.806 -12.928 1.00 44.12 C ATOM 241 CD LYS A 17 -19.569 -6.146 -12.181 1.00 11.53 C ATOM 242 CE LYS A 17 -19.654 -7.515 -11.525 1.00 63.53 C ATOM 243 NZ LYS A 17 -19.149 -7.492 -10.124 1.00 71.34 N ATOM 0 H LYS A 17 -23.027 -4.109 -13.749 1.00 33.04 H new ATOM 0 HA LYS A 17 -22.986 -4.093 -10.826 1.00 51.21 H new ATOM 0 HB2 LYS A 17 -21.771 -6.087 -11.020 1.00 31.14 H new ATOM 0 HB3 LYS A 17 -22.881 -6.168 -12.374 1.00 31.14 H new ATOM 0 HG2 LYS A 17 -21.074 -6.597 -13.643 1.00 44.12 H new ATOM 0 HG3 LYS A 17 -20.703 -4.890 -13.501 1.00 44.12 H new ATOM 0 HD2 LYS A 17 -18.726 -6.124 -12.872 1.00 11.53 H new ATOM 0 HD3 LYS A 17 -19.378 -5.388 -11.421 1.00 11.53 H new ATOM 0 HE2 LYS A 17 -20.689 -7.857 -11.532 1.00 63.53 H new ATOM 0 HE3 LYS A 17 -19.077 -8.233 -12.107 1.00 63.53 H new ATOM 0 HZ1 LYS A 17 -19.224 -8.444 -9.712 1.00 71.34 H new ATOM 0 HZ2 LYS A 17 -18.154 -7.190 -10.119 1.00 71.34 H new ATOM 0 HZ3 LYS A 17 -19.716 -6.826 -9.561 1.00 71.34 H new ATOM 257 N SER A 18 -20.617 -3.261 -10.384 1.00 1.10 N ATOM 258 CA SER A 18 -19.417 -2.479 -10.110 1.00 50.22 C ATOM 259 C SER A 18 -18.170 -3.355 -10.180 1.00 1.20 C ATOM 260 O SER A 18 -17.884 -4.122 -9.260 1.00 44.24 O ATOM 261 CB SER A 18 -19.515 -1.820 -8.733 1.00 32.33 C ATOM 262 OG SER A 18 -19.695 -2.790 -7.715 1.00 72.35 O ATOM 0 H SER A 18 -20.996 -3.749 -9.573 1.00 1.10 H new ATOM 0 HA SER A 18 -19.338 -1.703 -10.871 1.00 50.22 H new ATOM 0 HB2 SER A 18 -18.610 -1.245 -8.536 1.00 32.33 H new ATOM 0 HB3 SER A 18 -20.348 -1.117 -8.721 1.00 32.33 H new ATOM 0 HG SER A 18 -19.077 -3.537 -7.862 1.00 72.35 H new ATOM 268 N PHE A 19 -17.431 -3.235 -11.278 1.00 1.30 N ATOM 269 CA PHE A 19 -16.214 -4.016 -11.470 1.00 15.40 C ATOM 270 C PHE A 19 -15.001 -3.277 -10.913 1.00 63.40 C ATOM 271 O PHE A 19 -14.445 -2.394 -11.566 1.00 1.34 O ATOM 272 CB PHE A 19 -16.005 -4.316 -12.956 1.00 32.24 C ATOM 273 CG PHE A 19 -15.503 -5.707 -13.221 1.00 0.31 C ATOM 274 CD1 PHE A 19 -14.237 -6.091 -12.808 1.00 54.11 C ATOM 275 CD2 PHE A 19 -16.296 -6.629 -13.884 1.00 33.33 C ATOM 276 CE1 PHE A 19 -13.772 -7.370 -13.050 1.00 52.23 C ATOM 277 CE2 PHE A 19 -15.837 -7.910 -14.128 1.00 43.43 C ATOM 278 CZ PHE A 19 -14.573 -8.280 -13.712 1.00 42.12 C ATOM 0 H PHE A 19 -17.653 -2.605 -12.048 1.00 1.30 H new ATOM 0 HA PHE A 19 -16.325 -4.956 -10.929 1.00 15.40 H new ATOM 0 HB2 PHE A 19 -16.948 -4.172 -13.484 1.00 32.24 H new ATOM 0 HB3 PHE A 19 -15.296 -3.598 -13.367 1.00 32.24 H new ATOM 0 HD1 PHE A 19 -13.606 -5.383 -12.291 1.00 54.11 H new ATOM 0 HD2 PHE A 19 -17.284 -6.344 -14.214 1.00 33.33 H new ATOM 0 HE1 PHE A 19 -12.784 -7.657 -12.722 1.00 52.23 H new ATOM 0 HE2 PHE A 19 -16.466 -8.621 -14.643 1.00 43.43 H new ATOM 0 HZ PHE A 19 -14.211 -9.279 -13.904 1.00 42.12 H new ATOM 461 N ASP A 34 -24.525 -3.527 -26.163 1.00 43.34 N ATOM 462 CA ASP A 34 -23.617 -2.432 -25.838 1.00 74.31 C ATOM 463 C ASP A 34 -24.394 -1.193 -25.405 1.00 53.22 C ATOM 464 O ASP A 34 -24.455 -0.200 -26.131 1.00 1.25 O ATOM 465 CB ASP A 34 -22.733 -2.101 -27.041 1.00 5.53 C ATOM 466 CG ASP A 34 -21.403 -2.827 -26.999 1.00 63.40 C ATOM 467 OD1 ASP A 34 -20.889 -3.060 -25.885 1.00 70.21 O ATOM 468 OD2 ASP A 34 -20.875 -3.163 -28.080 1.00 52.45 O ATOM 0 HA ASP A 34 -22.985 -2.750 -25.009 1.00 74.31 H new ATOM 0 HB2 ASP A 34 -23.259 -2.365 -27.958 1.00 5.53 H new ATOM 0 HB3 ASP A 34 -22.556 -1.026 -27.073 1.00 5.53 H new ATOM 473 N LYS A 35 -24.988 -1.258 -24.219 1.00 15.15 N ATOM 474 CA LYS A 35 -25.762 -0.142 -23.687 1.00 41.24 C ATOM 475 C LYS A 35 -24.857 0.855 -22.970 1.00 31.43 C ATOM 476 O LYS A 35 -23.660 0.615 -22.808 1.00 31.03 O ATOM 477 CB LYS A 35 -26.839 -0.652 -22.727 1.00 71.05 C ATOM 478 CG LYS A 35 -28.193 -0.857 -23.385 1.00 44.25 C ATOM 479 CD LYS A 35 -28.094 -1.781 -24.588 1.00 12.23 C ATOM 480 CE LYS A 35 -28.122 -1.001 -25.893 1.00 63.35 C ATOM 481 NZ LYS A 35 -29.480 -0.987 -26.503 1.00 35.53 N ATOM 0 H LYS A 35 -24.948 -2.073 -23.607 1.00 15.15 H new ATOM 0 HA LYS A 35 -26.242 0.366 -24.524 1.00 41.24 H new ATOM 0 HB2 LYS A 35 -26.509 -1.596 -22.292 1.00 71.05 H new ATOM 0 HB3 LYS A 35 -26.947 0.057 -21.906 1.00 71.05 H new ATOM 0 HG2 LYS A 35 -28.891 -1.275 -22.660 1.00 44.25 H new ATOM 0 HG3 LYS A 35 -28.597 0.106 -23.697 1.00 44.25 H new ATOM 0 HD2 LYS A 35 -27.172 -2.360 -24.529 1.00 12.23 H new ATOM 0 HD3 LYS A 35 -28.919 -2.493 -24.570 1.00 12.23 H new ATOM 0 HE2 LYS A 35 -27.795 0.023 -25.711 1.00 63.35 H new ATOM 0 HE3 LYS A 35 -27.414 -1.442 -26.594 1.00 63.35 H new ATOM 0 HZ1 LYS A 35 -29.456 -0.445 -27.391 1.00 35.53 H new ATOM 0 HZ2 LYS A 35 -29.782 -1.962 -26.701 1.00 35.53 H new ATOM 0 HZ3 LYS A 35 -30.152 -0.543 -25.845 1.00 35.53 H new ATOM 495 N ILE A 36 -25.437 1.971 -22.541 1.00 24.32 N ATOM 496 CA ILE A 36 -24.682 3.001 -21.838 1.00 52.22 C ATOM 497 C ILE A 36 -23.884 2.407 -20.683 1.00 31.32 C ATOM 498 O ILE A 36 -24.452 1.836 -19.752 1.00 22.42 O ATOM 499 CB ILE A 36 -25.609 4.104 -21.293 1.00 43.34 C ATOM 500 CG1 ILE A 36 -24.812 5.097 -20.444 1.00 63.25 C ATOM 501 CG2 ILE A 36 -26.740 3.492 -20.481 1.00 2.35 C ATOM 502 CD1 ILE A 36 -25.325 6.517 -20.534 1.00 44.04 C ATOM 0 H ILE A 36 -26.426 2.185 -22.668 1.00 24.32 H new ATOM 0 HA ILE A 36 -23.995 3.439 -22.563 1.00 52.22 H new ATOM 0 HB ILE A 36 -26.043 4.642 -22.135 1.00 43.34 H new ATOM 0 HG12 ILE A 36 -24.838 4.775 -19.403 1.00 63.25 H new ATOM 0 HG13 ILE A 36 -23.769 5.076 -20.758 1.00 63.25 H new ATOM 0 HG21 ILE A 36 -27.386 4.284 -20.103 1.00 2.35 H new ATOM 0 HG22 ILE A 36 -27.321 2.821 -21.114 1.00 2.35 H new ATOM 0 HG23 ILE A 36 -26.325 2.932 -19.643 1.00 2.35 H new ATOM 0 HD11 ILE A 36 -24.713 7.165 -19.907 1.00 44.04 H new ATOM 0 HD12 ILE A 36 -25.273 6.858 -21.568 1.00 44.04 H new ATOM 0 HD13 ILE A 36 -26.359 6.553 -20.192 1.00 44.04 H new ATOM 514 N SER A 37 -22.564 2.547 -20.749 1.00 20.41 N ATOM 515 CA SER A 37 -21.687 2.022 -19.709 1.00 63.31 C ATOM 516 C SER A 37 -21.107 3.153 -18.865 1.00 62.04 C ATOM 517 O SER A 37 -21.081 4.308 -19.290 1.00 13.24 O ATOM 518 CB SER A 37 -20.554 1.203 -20.333 1.00 15.33 C ATOM 519 OG SER A 37 -20.527 -0.112 -19.807 1.00 71.54 O ATOM 0 H SER A 37 -22.078 3.019 -21.511 1.00 20.41 H new ATOM 0 HA SER A 37 -22.279 1.376 -19.061 1.00 63.31 H new ATOM 0 HB2 SER A 37 -20.683 1.163 -21.415 1.00 15.33 H new ATOM 0 HB3 SER A 37 -19.599 1.694 -20.144 1.00 15.33 H new ATOM 0 HG SER A 37 -20.035 -0.115 -18.959 1.00 71.54 H new ATOM 525 N SER A 38 -20.642 2.811 -17.668 1.00 1.30 N ATOM 526 CA SER A 38 -20.065 3.798 -16.762 1.00 35.32 C ATOM 527 C SER A 38 -18.625 3.437 -16.411 1.00 72.21 C ATOM 528 O SER A 38 -18.378 2.588 -15.554 1.00 3.32 O ATOM 529 CB SER A 38 -20.903 3.900 -15.486 1.00 21.45 C ATOM 530 OG SER A 38 -22.263 3.594 -15.742 1.00 3.20 O ATOM 0 H SER A 38 -20.653 1.859 -17.303 1.00 1.30 H new ATOM 0 HA SER A 38 -20.066 4.764 -17.267 1.00 35.32 H new ATOM 0 HB2 SER A 38 -20.509 3.217 -14.733 1.00 21.45 H new ATOM 0 HB3 SER A 38 -20.825 4.907 -15.075 1.00 21.45 H new ATOM 0 HG SER A 38 -22.833 4.091 -15.119 1.00 3.20 H new ATOM 536 N ILE A 39 -17.679 4.087 -17.080 1.00 54.32 N ATOM 537 CA ILE A 39 -16.264 3.836 -16.839 1.00 41.52 C ATOM 538 C ILE A 39 -15.610 5.017 -16.129 1.00 65.23 C ATOM 539 O ILE A 39 -15.400 6.075 -16.723 1.00 62.44 O ATOM 540 CB ILE A 39 -15.509 3.560 -18.153 1.00 75.30 C ATOM 541 CG1 ILE A 39 -15.655 2.089 -18.550 1.00 3.21 C ATOM 542 CG2 ILE A 39 -14.042 3.933 -18.010 1.00 24.24 C ATOM 543 CD1 ILE A 39 -17.092 1.640 -18.691 1.00 14.51 C ATOM 0 H ILE A 39 -17.867 4.791 -17.793 1.00 54.32 H new ATOM 0 HA ILE A 39 -16.204 2.953 -16.203 1.00 41.52 H new ATOM 0 HB ILE A 39 -15.944 4.175 -18.941 1.00 75.30 H new ATOM 0 HG12 ILE A 39 -15.137 1.923 -19.495 1.00 3.21 H new ATOM 0 HG13 ILE A 39 -15.161 1.469 -17.802 1.00 3.21 H new ATOM 0 HG21 ILE A 39 -13.522 3.732 -18.947 1.00 24.24 H new ATOM 0 HG22 ILE A 39 -13.958 4.993 -17.768 1.00 24.24 H new ATOM 0 HG23 ILE A 39 -13.592 3.342 -17.212 1.00 24.24 H new ATOM 0 HD11 ILE A 39 -17.118 0.588 -18.974 1.00 14.51 H new ATOM 0 HD12 ILE A 39 -17.610 1.773 -17.741 1.00 14.51 H new ATOM 0 HD13 ILE A 39 -17.585 2.235 -19.460 1.00 14.51 H new ATOM 555 N LYS A 40 -15.287 4.828 -14.854 1.00 41.32 N ATOM 556 CA LYS A 40 -14.653 5.875 -14.062 1.00 1.40 C ATOM 557 C LYS A 40 -13.384 5.358 -13.392 1.00 33.33 C ATOM 558 O LYS A 40 -13.444 4.690 -12.359 1.00 61.11 O ATOM 559 CB LYS A 40 -15.624 6.401 -13.003 1.00 32.25 C ATOM 560 CG LYS A 40 -15.088 7.587 -12.221 1.00 1.43 C ATOM 561 CD LYS A 40 -15.069 7.309 -10.727 1.00 73.41 C ATOM 562 CE LYS A 40 -13.990 8.117 -10.023 1.00 34.14 C ATOM 563 NZ LYS A 40 -13.593 7.500 -8.727 1.00 2.43 N ATOM 0 H LYS A 40 -15.454 3.959 -14.347 1.00 41.32 H new ATOM 0 HA LYS A 40 -14.382 6.690 -14.734 1.00 1.40 H new ATOM 0 HB2 LYS A 40 -16.557 6.688 -13.488 1.00 32.25 H new ATOM 0 HB3 LYS A 40 -15.861 5.596 -12.308 1.00 32.25 H new ATOM 0 HG2 LYS A 40 -14.079 7.822 -12.561 1.00 1.43 H new ATOM 0 HG3 LYS A 40 -15.704 8.464 -12.421 1.00 1.43 H new ATOM 0 HD2 LYS A 40 -16.042 7.549 -10.299 1.00 73.41 H new ATOM 0 HD3 LYS A 40 -14.899 6.246 -10.556 1.00 73.41 H new ATOM 0 HE2 LYS A 40 -13.116 8.198 -10.670 1.00 34.14 H new ATOM 0 HE3 LYS A 40 -14.351 9.130 -9.847 1.00 34.14 H new ATOM 0 HZ1 LYS A 40 -12.856 8.080 -8.278 1.00 2.43 H new ATOM 0 HZ2 LYS A 40 -14.421 7.446 -8.100 1.00 2.43 H new ATOM 0 HZ3 LYS A 40 -13.224 6.542 -8.897 1.00 2.43 H new ATOM 577 N VAL A 41 -12.237 5.671 -13.985 1.00 3.33 N ATOM 578 CA VAL A 41 -10.953 5.240 -13.443 1.00 75.03 C ATOM 579 C VAL A 41 -9.871 6.282 -13.699 1.00 1.52 C ATOM 580 O VAL A 41 -9.926 7.024 -14.680 1.00 15.31 O ATOM 581 CB VAL A 41 -10.511 3.896 -14.052 1.00 43.20 C ATOM 582 CG1 VAL A 41 -9.252 3.387 -13.365 1.00 55.42 C ATOM 583 CG2 VAL A 41 -11.632 2.873 -13.955 1.00 61.32 C ATOM 0 H VAL A 41 -12.170 6.222 -14.841 1.00 3.33 H new ATOM 0 HA VAL A 41 -11.087 5.117 -12.368 1.00 75.03 H new ATOM 0 HB VAL A 41 -10.283 4.052 -15.106 1.00 43.20 H new ATOM 0 HG11 VAL A 41 -8.955 2.437 -13.808 1.00 55.42 H new ATOM 0 HG12 VAL A 41 -8.449 4.114 -13.492 1.00 55.42 H new ATOM 0 HG13 VAL A 41 -9.449 3.246 -12.302 1.00 55.42 H new ATOM 0 HG21 VAL A 41 -11.302 1.930 -14.390 1.00 61.32 H new ATOM 0 HG22 VAL A 41 -11.894 2.718 -12.908 1.00 61.32 H new ATOM 0 HG23 VAL A 41 -12.505 3.237 -14.497 1.00 61.32 H new ATOM 593 N LYS A 42 -8.885 6.334 -12.810 1.00 21.44 N ATOM 594 CA LYS A 42 -7.787 7.284 -12.938 1.00 65.11 C ATOM 595 C LYS A 42 -6.444 6.599 -12.704 1.00 30.41 C ATOM 596 O LYS A 42 -5.934 6.578 -11.584 1.00 32.43 O ATOM 597 CB LYS A 42 -7.963 8.436 -11.946 1.00 61.13 C ATOM 598 CG LYS A 42 -6.789 9.399 -11.918 1.00 51.42 C ATOM 599 CD LYS A 42 -7.224 10.797 -11.510 1.00 33.24 C ATOM 600 CE LYS A 42 -8.083 11.449 -12.582 1.00 74.11 C ATOM 601 NZ LYS A 42 -9.192 12.251 -11.993 1.00 65.24 N ATOM 0 H LYS A 42 -8.824 5.728 -11.992 1.00 21.44 H new ATOM 0 HA LYS A 42 -7.801 7.681 -13.953 1.00 65.11 H new ATOM 0 HB2 LYS A 42 -8.868 8.987 -12.199 1.00 61.13 H new ATOM 0 HB3 LYS A 42 -8.109 8.025 -10.947 1.00 61.13 H new ATOM 0 HG2 LYS A 42 -6.034 9.034 -11.221 1.00 51.42 H new ATOM 0 HG3 LYS A 42 -6.323 9.435 -12.903 1.00 51.42 H new ATOM 0 HD2 LYS A 42 -7.783 10.747 -10.575 1.00 33.24 H new ATOM 0 HD3 LYS A 42 -6.344 11.413 -11.323 1.00 33.24 H new ATOM 0 HE2 LYS A 42 -7.461 12.092 -13.205 1.00 74.11 H new ATOM 0 HE3 LYS A 42 -8.498 10.679 -13.233 1.00 74.11 H new ATOM 0 HZ1 LYS A 42 -9.754 12.679 -12.756 1.00 65.24 H new ATOM 0 HZ2 LYS A 42 -9.801 11.633 -11.419 1.00 65.24 H new ATOM 0 HZ3 LYS A 42 -8.796 13.002 -11.392 1.00 65.24 H new ATOM 615 N SER A 43 -5.876 6.040 -13.768 1.00 50.41 N ATOM 616 CA SER A 43 -4.594 5.352 -13.677 1.00 45.45 C ATOM 617 C SER A 43 -4.020 5.087 -15.066 1.00 41.41 C ATOM 618 O SER A 43 -4.409 4.134 -15.739 1.00 63.21 O ATOM 619 CB SER A 43 -4.751 4.034 -12.918 1.00 61.30 C ATOM 620 OG SER A 43 -5.722 3.204 -13.532 1.00 44.04 O ATOM 0 H SER A 43 -6.284 6.050 -14.703 1.00 50.41 H new ATOM 0 HA SER A 43 -3.902 5.995 -13.133 1.00 45.45 H new ATOM 0 HB2 SER A 43 -3.793 3.514 -12.883 1.00 61.30 H new ATOM 0 HB3 SER A 43 -5.041 4.237 -11.887 1.00 61.30 H new ATOM 0 HG SER A 43 -5.533 3.134 -14.491 1.00 44.04 H new ATOM 626 N GLY A 44 -3.091 5.940 -15.489 1.00 12.03 N ATOM 627 CA GLY A 44 -2.478 5.782 -16.795 1.00 13.13 C ATOM 628 C GLY A 44 -3.499 5.756 -17.915 1.00 31.21 C ATOM 629 O GLY A 44 -4.496 6.477 -17.874 1.00 53.43 O ATOM 0 H GLY A 44 -2.752 6.737 -14.950 1.00 12.03 H new ATOM 0 HA2 GLY A 44 -1.777 6.599 -16.965 1.00 13.13 H new ATOM 0 HA3 GLY A 44 -1.900 4.858 -16.812 1.00 13.13 H new ATOM 633 N THR A 45 -3.251 4.923 -18.921 1.00 23.54 N ATOM 634 CA THR A 45 -4.154 4.807 -20.058 1.00 50.04 C ATOM 635 C THR A 45 -4.659 3.378 -20.216 1.00 73.54 C ATOM 636 O THR A 45 -3.984 2.424 -19.829 1.00 44.21 O ATOM 637 CB THR A 45 -3.469 5.245 -21.367 1.00 24.34 C ATOM 638 OG1 THR A 45 -2.487 4.276 -21.753 1.00 52.33 O ATOM 639 CG2 THR A 45 -2.809 6.605 -21.203 1.00 5.54 C ATOM 0 H THR A 45 -2.431 4.318 -18.971 1.00 23.54 H new ATOM 0 HA THR A 45 -4.998 5.468 -19.859 1.00 50.04 H new ATOM 0 HB THR A 45 -4.231 5.320 -22.143 1.00 24.34 H new ATOM 0 HG1 THR A 45 -2.057 4.560 -22.587 1.00 52.33 H new ATOM 0 HG21 THR A 45 -2.332 6.893 -22.140 1.00 5.54 H new ATOM 0 HG22 THR A 45 -3.563 7.346 -20.937 1.00 5.54 H new ATOM 0 HG23 THR A 45 -2.058 6.552 -20.415 1.00 5.54 H new ATOM 647 N TRP A 46 -5.850 3.236 -20.788 1.00 23.13 N ATOM 648 CA TRP A 46 -6.445 1.921 -20.997 1.00 60.14 C ATOM 649 C TRP A 46 -7.035 1.808 -22.399 1.00 22.42 C ATOM 650 O TRP A 46 -7.366 2.814 -23.026 1.00 44.01 O ATOM 651 CB TRP A 46 -7.529 1.656 -19.951 1.00 52.54 C ATOM 652 CG TRP A 46 -7.480 2.605 -18.792 1.00 54.54 C ATOM 653 CD1 TRP A 46 -6.496 2.699 -17.851 1.00 2.13 C ATOM 654 CD2 TRP A 46 -8.459 3.593 -18.452 1.00 13.31 C ATOM 655 NE1 TRP A 46 -6.804 3.686 -16.945 1.00 63.32 N ATOM 656 CE2 TRP A 46 -8.003 4.250 -17.292 1.00 64.13 C ATOM 657 CE3 TRP A 46 -9.676 3.988 -19.015 1.00 2.54 C ATOM 658 CZ2 TRP A 46 -8.721 5.277 -16.687 1.00 54.42 C ATOM 659 CZ3 TRP A 46 -10.388 5.008 -18.413 1.00 12.14 C ATOM 660 CH2 TRP A 46 -9.909 5.644 -17.259 1.00 72.33 C ATOM 0 H TRP A 46 -6.422 4.015 -21.115 1.00 23.13 H new ATOM 0 HA TRP A 46 -5.659 1.173 -20.892 1.00 60.14 H new ATOM 0 HB2 TRP A 46 -8.507 1.725 -20.427 1.00 52.54 H new ATOM 0 HB3 TRP A 46 -7.425 0.636 -19.581 1.00 52.54 H new ATOM 0 HD1 TRP A 46 -5.606 2.088 -17.822 1.00 2.13 H new ATOM 0 HE1 TRP A 46 -6.232 3.955 -16.144 1.00 63.32 H new ATOM 0 HE3 TRP A 46 -10.053 3.505 -19.904 1.00 2.54 H new ATOM 0 HZ2 TRP A 46 -8.354 5.767 -15.797 1.00 54.42 H new ATOM 0 HZ3 TRP A 46 -11.330 5.321 -18.839 1.00 12.14 H new ATOM 0 HH2 TRP A 46 -10.489 6.439 -16.813 1.00 72.33 H new ATOM 671 N ARG A 47 -7.164 0.577 -22.884 1.00 52.21 N ATOM 672 CA ARG A 47 -7.714 0.334 -24.212 1.00 64.34 C ATOM 673 C ARG A 47 -9.032 -0.430 -24.124 1.00 0.41 C ATOM 674 O ARG A 47 -9.063 -1.591 -23.717 1.00 21.05 O ATOM 675 CB ARG A 47 -6.714 -0.450 -25.065 1.00 74.41 C ATOM 676 CG ARG A 47 -5.412 0.293 -25.315 1.00 31.52 C ATOM 677 CD ARG A 47 -4.274 -0.286 -24.489 1.00 65.04 C ATOM 678 NE ARG A 47 -3.280 -0.958 -25.323 1.00 3.44 N ATOM 679 CZ ARG A 47 -2.420 -1.858 -24.860 1.00 30.25 C ATOM 680 NH1 ARG A 47 -2.433 -2.193 -23.577 1.00 22.52 N ATOM 681 NH2 ARG A 47 -1.545 -2.426 -25.680 1.00 54.33 N ATOM 0 H ARG A 47 -6.895 -0.267 -22.377 1.00 52.21 H new ATOM 0 HA ARG A 47 -7.904 1.299 -24.681 1.00 64.34 H new ATOM 0 HB2 ARG A 47 -6.493 -1.397 -24.572 1.00 74.41 H new ATOM 0 HB3 ARG A 47 -7.176 -0.689 -26.023 1.00 74.41 H new ATOM 0 HG2 ARG A 47 -5.159 0.240 -26.374 1.00 31.52 H new ATOM 0 HG3 ARG A 47 -5.541 1.347 -25.071 1.00 31.52 H new ATOM 0 HD2 ARG A 47 -3.793 0.513 -23.924 1.00 65.04 H new ATOM 0 HD3 ARG A 47 -4.676 -0.993 -23.763 1.00 65.04 H new ATOM 0 HE ARG A 47 -3.245 -0.723 -26.315 1.00 3.44 H new ATOM 0 HH11 ARG A 47 -3.104 -1.759 -22.943 1.00 22.52 H new ATOM 0 HH12 ARG A 47 -1.772 -2.884 -23.224 1.00 22.52 H new ATOM 0 HH21 ARG A 47 -1.532 -2.172 -26.668 1.00 54.33 H new ATOM 0 HH22 ARG A 47 -0.885 -3.117 -25.323 1.00 54.33 H new ATOM 695 N PHE A 48 -10.119 0.231 -24.507 1.00 52.35 N ATOM 696 CA PHE A 48 -11.441 -0.384 -24.470 1.00 42.11 C ATOM 697 C PHE A 48 -11.861 -0.855 -25.859 1.00 61.13 C ATOM 698 O PHE A 48 -11.659 -0.155 -26.852 1.00 2.13 O ATOM 699 CB PHE A 48 -12.472 0.605 -23.921 1.00 65.32 C ATOM 700 CG PHE A 48 -12.680 0.492 -22.438 1.00 60.31 C ATOM 701 CD1 PHE A 48 -13.611 -0.395 -21.922 1.00 12.14 C ATOM 702 CD2 PHE A 48 -11.944 1.272 -21.560 1.00 74.43 C ATOM 703 CE1 PHE A 48 -13.805 -0.500 -20.557 1.00 74.13 C ATOM 704 CE2 PHE A 48 -12.134 1.170 -20.195 1.00 0.31 C ATOM 705 CZ PHE A 48 -13.065 0.282 -19.693 1.00 10.52 C ATOM 0 H PHE A 48 -10.111 1.193 -24.847 1.00 52.35 H new ATOM 0 HA PHE A 48 -11.392 -1.251 -23.811 1.00 42.11 H new ATOM 0 HB2 PHE A 48 -12.153 1.620 -24.159 1.00 65.32 H new ATOM 0 HB3 PHE A 48 -13.424 0.443 -24.427 1.00 65.32 H new ATOM 0 HD1 PHE A 48 -14.191 -1.011 -22.593 1.00 12.14 H new ATOM 0 HD2 PHE A 48 -11.214 1.967 -21.947 1.00 74.43 H new ATOM 0 HE1 PHE A 48 -14.535 -1.194 -20.167 1.00 74.13 H new ATOM 0 HE2 PHE A 48 -11.555 1.784 -19.521 1.00 0.31 H new ATOM 0 HZ PHE A 48 -13.214 0.200 -18.626 1.00 10.52 H new ATOM 715 N TYR A 49 -12.446 -2.046 -25.922 1.00 24.25 N ATOM 716 CA TYR A 49 -12.892 -2.613 -27.189 1.00 23.35 C ATOM 717 C TYR A 49 -13.924 -3.713 -26.960 1.00 23.44 C ATOM 718 O TYR A 49 -13.737 -4.588 -26.115 1.00 23.04 O ATOM 719 CB TYR A 49 -11.700 -3.171 -27.969 1.00 54.34 C ATOM 720 CG TYR A 49 -10.662 -3.837 -27.096 1.00 31.53 C ATOM 721 CD1 TYR A 49 -10.868 -5.116 -26.591 1.00 42.31 C ATOM 722 CD2 TYR A 49 -9.476 -3.189 -26.774 1.00 32.32 C ATOM 723 CE1 TYR A 49 -9.922 -5.729 -25.792 1.00 14.23 C ATOM 724 CE2 TYR A 49 -8.525 -3.795 -25.977 1.00 24.25 C ATOM 725 CZ TYR A 49 -8.752 -5.065 -25.488 1.00 13.32 C ATOM 726 OH TYR A 49 -7.807 -5.671 -24.692 1.00 75.10 O ATOM 0 H TYR A 49 -12.622 -2.638 -25.110 1.00 24.25 H new ATOM 0 HA TYR A 49 -13.358 -1.818 -27.770 1.00 23.35 H new ATOM 0 HB2 TYR A 49 -12.062 -3.892 -28.702 1.00 54.34 H new ATOM 0 HB3 TYR A 49 -11.229 -2.360 -28.525 1.00 54.34 H new ATOM 0 HD1 TYR A 49 -11.783 -5.639 -26.827 1.00 42.31 H new ATOM 0 HD2 TYR A 49 -9.295 -2.194 -27.154 1.00 32.32 H new ATOM 0 HE1 TYR A 49 -10.098 -6.723 -25.408 1.00 14.23 H new ATOM 0 HE2 TYR A 49 -7.608 -3.277 -25.738 1.00 24.25 H new ATOM 0 HH TYR A 49 -7.043 -5.069 -24.576 1.00 75.10 H new ATOM 736 N GLU A 50 -15.013 -3.662 -27.720 1.00 42.41 N ATOM 737 CA GLU A 50 -16.075 -4.653 -27.600 1.00 71.45 C ATOM 738 C GLU A 50 -15.848 -5.813 -28.566 1.00 51.01 C ATOM 739 O GLU A 50 -16.627 -6.022 -29.496 1.00 74.31 O ATOM 740 CB GLU A 50 -17.437 -4.010 -27.870 1.00 42.22 C ATOM 741 CG GLU A 50 -17.517 -3.294 -29.208 1.00 54.11 C ATOM 742 CD GLU A 50 -18.721 -3.720 -30.026 1.00 62.23 C ATOM 743 OE1 GLU A 50 -18.802 -4.914 -30.384 1.00 24.24 O ATOM 744 OE2 GLU A 50 -19.581 -2.861 -30.309 1.00 50.35 O ATOM 0 H GLU A 50 -15.183 -2.945 -28.425 1.00 42.41 H new ATOM 0 HA GLU A 50 -16.060 -5.042 -26.582 1.00 71.45 H new ATOM 0 HB2 GLU A 50 -18.207 -4.781 -27.833 1.00 42.22 H new ATOM 0 HB3 GLU A 50 -17.658 -3.300 -27.073 1.00 42.22 H new ATOM 0 HG2 GLU A 50 -17.560 -2.218 -29.038 1.00 54.11 H new ATOM 0 HG3 GLU A 50 -16.608 -3.491 -29.776 1.00 54.11 H new ATOM 751 N TYR A 51 -14.776 -6.563 -28.339 1.00 4.13 N ATOM 752 CA TYR A 51 -14.443 -7.699 -29.189 1.00 73.55 C ATOM 753 C TYR A 51 -13.104 -8.308 -28.787 1.00 25.12 C ATOM 754 O TYR A 51 -12.549 -7.977 -27.739 1.00 3.34 O ATOM 755 CB TYR A 51 -14.401 -7.270 -30.657 1.00 5.32 C ATOM 756 CG TYR A 51 -15.387 -8.008 -31.533 1.00 61.21 C ATOM 757 CD1 TYR A 51 -15.530 -9.387 -31.443 1.00 22.20 C ATOM 758 CD2 TYR A 51 -16.177 -7.326 -32.451 1.00 21.34 C ATOM 759 CE1 TYR A 51 -16.429 -10.066 -32.242 1.00 52.12 C ATOM 760 CE2 TYR A 51 -17.080 -7.997 -33.253 1.00 10.41 C ATOM 761 CZ TYR A 51 -17.202 -9.366 -33.145 1.00 71.33 C ATOM 762 OH TYR A 51 -18.100 -10.039 -33.942 1.00 52.53 O ATOM 0 H TYR A 51 -14.122 -6.404 -27.572 1.00 4.13 H new ATOM 0 HA TYR A 51 -15.218 -8.455 -29.060 1.00 73.55 H new ATOM 0 HB2 TYR A 51 -14.602 -6.201 -30.720 1.00 5.32 H new ATOM 0 HB3 TYR A 51 -13.395 -7.429 -31.044 1.00 5.32 H new ATOM 0 HD1 TYR A 51 -14.928 -9.938 -30.736 1.00 22.20 H new ATOM 0 HD2 TYR A 51 -16.083 -6.254 -32.539 1.00 21.34 H new ATOM 0 HE1 TYR A 51 -16.526 -11.139 -32.160 1.00 52.12 H new ATOM 0 HE2 TYR A 51 -17.687 -7.452 -33.961 1.00 10.41 H new ATOM 0 HH TYR A 51 -18.566 -9.400 -34.521 1.00 52.53 H new ATOM 772 N ILE A 52 -12.590 -9.199 -29.628 1.00 24.34 N ATOM 773 CA ILE A 52 -11.314 -9.853 -29.361 1.00 74.34 C ATOM 774 C ILE A 52 -10.195 -8.830 -29.198 1.00 35.31 C ATOM 775 O ILE A 52 -10.430 -7.624 -29.258 1.00 61.21 O ATOM 776 CB ILE A 52 -10.938 -10.833 -30.488 1.00 72.33 C ATOM 777 CG1 ILE A 52 -10.976 -10.125 -31.844 1.00 10.32 C ATOM 778 CG2 ILE A 52 -11.877 -12.031 -30.484 1.00 44.21 C ATOM 779 CD1 ILE A 52 -10.645 -11.031 -33.009 1.00 12.01 C ATOM 0 H ILE A 52 -13.037 -9.485 -30.499 1.00 24.34 H new ATOM 0 HA ILE A 52 -11.433 -10.409 -28.431 1.00 74.34 H new ATOM 0 HB ILE A 52 -9.923 -11.190 -30.314 1.00 72.33 H new ATOM 0 HG12 ILE A 52 -11.968 -9.700 -31.995 1.00 10.32 H new ATOM 0 HG13 ILE A 52 -10.272 -9.293 -31.830 1.00 10.32 H new ATOM 0 HG21 ILE A 52 -11.598 -12.714 -31.286 1.00 44.21 H new ATOM 0 HG22 ILE A 52 -11.805 -12.547 -29.526 1.00 44.21 H new ATOM 0 HG23 ILE A 52 -12.901 -11.691 -30.637 1.00 44.21 H new ATOM 0 HD11 ILE A 52 -10.691 -10.462 -33.937 1.00 12.01 H new ATOM 0 HD12 ILE A 52 -9.641 -11.436 -32.881 1.00 12.01 H new ATOM 0 HD13 ILE A 52 -11.364 -11.849 -33.049 1.00 12.01 H new ATOM 791 N ASN A 53 -8.978 -9.321 -28.993 1.00 24.34 N ATOM 792 CA ASN A 53 -7.821 -8.450 -28.822 1.00 1.42 C ATOM 793 C ASN A 53 -7.359 -7.890 -30.164 1.00 1.43 C ATOM 794 O ASN A 53 -6.665 -6.874 -30.219 1.00 24.34 O ATOM 795 CB ASN A 53 -6.675 -9.213 -28.153 1.00 54.53 C ATOM 796 CG ASN A 53 -5.565 -8.293 -27.683 1.00 11.10 C ATOM 797 OD1 ASN A 53 -5.772 -7.092 -27.505 1.00 61.41 O ATOM 798 ND2 ASN A 53 -4.379 -8.854 -27.479 1.00 42.14 N ATOM 0 H ASN A 53 -8.767 -10.318 -28.941 1.00 24.34 H new ATOM 0 HA ASN A 53 -8.116 -7.618 -28.183 1.00 1.42 H new ATOM 0 HB2 ASN A 53 -7.063 -9.774 -27.303 1.00 54.53 H new ATOM 0 HB3 ASN A 53 -6.268 -9.940 -28.855 1.00 54.53 H new ATOM 0 HD21 ASN A 53 -3.594 -8.286 -27.162 1.00 42.14 H new ATOM 0 HD22 ASN A 53 -4.253 -9.853 -27.639 1.00 42.14 H new ATOM 805 N TYR A 54 -7.749 -8.558 -31.243 1.00 55.22 N ATOM 806 CA TYR A 54 -7.374 -8.128 -32.585 1.00 73.42 C ATOM 807 C TYR A 54 -8.536 -8.305 -33.558 1.00 61.03 C ATOM 808 O TYR A 54 -8.472 -9.120 -34.478 1.00 11.12 O ATOM 809 CB TYR A 54 -6.159 -8.918 -33.075 1.00 74.10 C ATOM 810 CG TYR A 54 -6.074 -10.315 -32.502 1.00 4.53 C ATOM 811 CD1 TYR A 54 -7.152 -11.187 -32.582 1.00 12.12 C ATOM 812 CD2 TYR A 54 -4.915 -10.761 -31.879 1.00 63.31 C ATOM 813 CE1 TYR A 54 -7.079 -12.463 -32.059 1.00 22.52 C ATOM 814 CE2 TYR A 54 -4.832 -12.037 -31.355 1.00 2.44 C ATOM 815 CZ TYR A 54 -5.916 -12.884 -31.447 1.00 14.23 C ATOM 816 OH TYR A 54 -5.838 -14.154 -30.924 1.00 73.42 O ATOM 0 H TYR A 54 -8.325 -9.400 -31.215 1.00 55.22 H new ATOM 0 HA TYR A 54 -7.118 -7.069 -32.542 1.00 73.42 H new ATOM 0 HB2 TYR A 54 -6.192 -8.982 -34.163 1.00 74.10 H new ATOM 0 HB3 TYR A 54 -5.252 -8.372 -32.815 1.00 74.10 H new ATOM 0 HD1 TYR A 54 -8.063 -10.861 -33.062 1.00 12.12 H new ATOM 0 HD2 TYR A 54 -4.065 -10.099 -31.803 1.00 63.31 H new ATOM 0 HE1 TYR A 54 -7.927 -13.128 -32.129 1.00 22.52 H new ATOM 0 HE2 TYR A 54 -3.923 -12.369 -30.876 1.00 2.44 H new ATOM 0 HH TYR A 54 -4.951 -14.292 -30.530 1.00 73.42 H new ATOM 826 N GLY A 55 -9.598 -7.533 -33.348 1.00 72.32 N ATOM 827 CA GLY A 55 -10.760 -7.618 -34.214 1.00 63.31 C ATOM 828 C GLY A 55 -11.986 -6.969 -33.604 1.00 72.13 C ATOM 829 O GLY A 55 -13.041 -7.594 -33.501 1.00 10.45 O ATOM 0 H GLY A 55 -9.675 -6.850 -32.594 1.00 72.32 H new ATOM 0 HA2 GLY A 55 -10.535 -7.139 -35.167 1.00 63.31 H new ATOM 0 HA3 GLY A 55 -10.975 -8.665 -34.427 1.00 63.31 H new ATOM 833 N GLY A 56 -11.848 -5.711 -33.198 1.00 3.34 N ATOM 834 CA GLY A 56 -12.961 -4.998 -32.598 1.00 23.10 C ATOM 835 C GLY A 56 -12.774 -3.494 -32.635 1.00 61.30 C ATOM 836 O GLY A 56 -11.824 -2.995 -33.238 1.00 42.10 O ATOM 0 H GLY A 56 -10.985 -5.172 -33.274 1.00 3.34 H new ATOM 0 HA2 GLY A 56 -13.881 -5.260 -33.121 1.00 23.10 H new ATOM 0 HA3 GLY A 56 -13.080 -5.321 -31.564 1.00 23.10 H new ATOM 840 N ARG A 57 -13.683 -2.771 -31.990 1.00 51.43 N ATOM 841 CA ARG A 57 -13.616 -1.315 -31.955 1.00 4.34 C ATOM 842 C ARG A 57 -12.602 -0.843 -30.916 1.00 41.34 C ATOM 843 O ARG A 57 -12.865 -0.883 -29.714 1.00 63.21 O ATOM 844 CB ARG A 57 -14.993 -0.727 -31.642 1.00 41.44 C ATOM 845 CG ARG A 57 -14.960 0.755 -31.305 1.00 52.12 C ATOM 846 CD ARG A 57 -15.326 1.003 -29.850 1.00 52.52 C ATOM 847 NE ARG A 57 -16.626 0.433 -29.508 1.00 14.41 N ATOM 848 CZ ARG A 57 -17.206 0.585 -28.322 1.00 53.24 C ATOM 849 NH1 ARG A 57 -16.604 1.286 -27.371 1.00 75.12 N ATOM 850 NH2 ARG A 57 -18.391 0.036 -28.087 1.00 20.02 N ATOM 0 H ARG A 57 -14.474 -3.169 -31.485 1.00 51.43 H new ATOM 0 HA ARG A 57 -13.295 -0.967 -32.937 1.00 4.34 H new ATOM 0 HB2 ARG A 57 -15.648 -0.882 -32.499 1.00 41.44 H new ATOM 0 HB3 ARG A 57 -15.430 -1.272 -30.805 1.00 41.44 H new ATOM 0 HG2 ARG A 57 -13.965 1.153 -31.504 1.00 52.12 H new ATOM 0 HG3 ARG A 57 -15.653 1.292 -31.952 1.00 52.12 H new ATOM 0 HD2 ARG A 57 -14.560 0.572 -29.205 1.00 52.52 H new ATOM 0 HD3 ARG A 57 -15.338 2.076 -29.657 1.00 52.52 H new ATOM 0 HE ARG A 57 -17.116 -0.112 -30.218 1.00 14.41 H new ATOM 0 HH11 ARG A 57 -15.694 1.710 -27.549 1.00 75.12 H new ATOM 0 HH12 ARG A 57 -17.051 1.401 -26.462 1.00 75.12 H new ATOM 0 HH21 ARG A 57 -18.857 -0.503 -28.817 1.00 20.02 H new ATOM 0 HH22 ARG A 57 -18.836 0.153 -27.177 1.00 20.02 H new ATOM 864 N TYR A 58 -11.444 -0.396 -31.389 1.00 25.23 N ATOM 865 CA TYR A 58 -10.389 0.081 -30.502 1.00 32.44 C ATOM 866 C TYR A 58 -10.685 1.496 -30.016 1.00 45.52 C ATOM 867 O TYR A 58 -10.936 2.399 -30.815 1.00 60.52 O ATOM 868 CB TYR A 58 -9.038 0.046 -31.217 1.00 4.30 C ATOM 869 CG TYR A 58 -7.946 0.795 -30.486 1.00 13.12 C ATOM 870 CD1 TYR A 58 -7.788 0.665 -29.112 1.00 23.03 C ATOM 871 CD2 TYR A 58 -7.073 1.632 -31.170 1.00 10.13 C ATOM 872 CE1 TYR A 58 -6.793 1.348 -28.440 1.00 24.13 C ATOM 873 CE2 TYR A 58 -6.074 2.318 -30.506 1.00 60.31 C ATOM 874 CZ TYR A 58 -5.938 2.173 -29.141 1.00 71.22 C ATOM 875 OH TYR A 58 -4.945 2.854 -28.476 1.00 24.44 O ATOM 0 H TYR A 58 -11.212 -0.354 -32.381 1.00 25.23 H new ATOM 0 HA TYR A 58 -10.350 -0.580 -29.636 1.00 32.44 H new ATOM 0 HB2 TYR A 58 -8.731 -0.992 -31.346 1.00 4.30 H new ATOM 0 HB3 TYR A 58 -9.153 0.470 -32.214 1.00 4.30 H new ATOM 0 HD1 TYR A 58 -8.454 0.019 -28.560 1.00 23.03 H new ATOM 0 HD2 TYR A 58 -7.177 1.748 -32.239 1.00 10.13 H new ATOM 0 HE1 TYR A 58 -6.685 1.237 -27.371 1.00 24.13 H new ATOM 0 HE2 TYR A 58 -5.403 2.964 -31.053 1.00 60.31 H new ATOM 0 HH TYR A 58 -4.431 3.390 -29.116 1.00 24.44 H new ATOM 885 N TRP A 59 -10.651 1.683 -28.702 1.00 33.33 N ATOM 886 CA TRP A 59 -10.915 2.989 -28.108 1.00 63.22 C ATOM 887 C TRP A 59 -10.231 3.118 -26.751 1.00 74.13 C ATOM 888 O TRP A 59 -10.714 2.589 -25.750 1.00 71.41 O ATOM 889 CB TRP A 59 -12.421 3.209 -27.958 1.00 2.14 C ATOM 890 CG TRP A 59 -12.772 4.198 -26.888 1.00 14.12 C ATOM 891 CD1 TRP A 59 -12.366 5.500 -26.809 1.00 73.34 C ATOM 892 CD2 TRP A 59 -13.600 3.964 -25.743 1.00 50.32 C ATOM 893 NE1 TRP A 59 -12.892 6.089 -25.685 1.00 3.11 N ATOM 894 CE2 TRP A 59 -13.653 5.169 -25.014 1.00 61.43 C ATOM 895 CE3 TRP A 59 -14.303 2.856 -25.264 1.00 73.11 C ATOM 896 CZ2 TRP A 59 -14.380 5.292 -23.833 1.00 41.34 C ATOM 897 CZ3 TRP A 59 -15.024 2.980 -24.092 1.00 10.24 C ATOM 898 CH2 TRP A 59 -15.059 4.191 -23.387 1.00 43.14 C ATOM 0 H TRP A 59 -10.443 0.947 -28.027 1.00 33.33 H new ATOM 0 HA TRP A 59 -10.509 3.752 -28.772 1.00 63.22 H new ATOM 0 HB2 TRP A 59 -12.827 3.554 -28.909 1.00 2.14 H new ATOM 0 HB3 TRP A 59 -12.900 2.256 -27.733 1.00 2.14 H new ATOM 0 HD1 TRP A 59 -11.726 5.994 -27.525 1.00 73.34 H new ATOM 0 HE1 TRP A 59 -12.740 7.056 -25.397 1.00 3.11 H new ATOM 0 HE3 TRP A 59 -14.283 1.919 -25.800 1.00 73.11 H new ATOM 0 HZ2 TRP A 59 -14.407 6.224 -23.288 1.00 41.34 H new ATOM 0 HZ3 TRP A 59 -15.570 2.129 -23.712 1.00 10.24 H new ATOM 0 HH2 TRP A 59 -15.633 4.256 -22.474 1.00 43.14 H new ATOM 909 N ASP A 60 -9.106 3.824 -26.725 1.00 55.01 N ATOM 910 CA ASP A 60 -8.358 4.023 -25.490 1.00 4.52 C ATOM 911 C ASP A 60 -8.544 5.443 -24.964 1.00 51.55 C ATOM 912 O ASP A 60 -8.894 6.354 -25.716 1.00 53.14 O ATOM 913 CB ASP A 60 -6.872 3.742 -25.718 1.00 63.10 C ATOM 914 CG ASP A 60 -6.265 4.652 -26.768 1.00 24.32 C ATOM 915 OD1 ASP A 60 -6.771 4.660 -27.909 1.00 41.52 O ATOM 916 OD2 ASP A 60 -5.283 5.354 -26.448 1.00 44.44 O ATOM 0 H ASP A 60 -8.692 4.268 -27.545 1.00 55.01 H new ATOM 0 HA ASP A 60 -8.742 3.326 -24.746 1.00 4.52 H new ATOM 0 HB2 ASP A 60 -6.333 3.866 -24.779 1.00 63.10 H new ATOM 0 HB3 ASP A 60 -6.744 2.704 -26.024 1.00 63.10 H new ATOM 921 N LEU A 61 -8.309 5.625 -23.670 1.00 12.33 N ATOM 922 CA LEU A 61 -8.452 6.935 -23.043 1.00 32.34 C ATOM 923 C LEU A 61 -7.688 6.993 -21.724 1.00 43.40 C ATOM 924 O LEU A 61 -7.370 5.963 -21.132 1.00 71.44 O ATOM 925 CB LEU A 61 -9.930 7.248 -22.803 1.00 11.52 C ATOM 926 CG LEU A 61 -10.569 6.580 -21.585 1.00 72.13 C ATOM 927 CD1 LEU A 61 -11.028 7.626 -20.582 1.00 15.05 C ATOM 928 CD2 LEU A 61 -11.735 5.699 -22.011 1.00 63.11 C ATOM 0 H LEU A 61 -8.019 4.883 -23.034 1.00 12.33 H new ATOM 0 HA LEU A 61 -8.033 7.682 -23.718 1.00 32.34 H new ATOM 0 HB2 LEU A 61 -10.040 8.328 -22.699 1.00 11.52 H new ATOM 0 HB3 LEU A 61 -10.492 6.954 -23.690 1.00 11.52 H new ATOM 0 HG LEU A 61 -9.820 5.950 -21.105 1.00 72.13 H new ATOM 0 HD11 LEU A 61 -11.480 7.132 -19.722 1.00 15.05 H new ATOM 0 HD12 LEU A 61 -10.172 8.215 -20.253 1.00 15.05 H new ATOM 0 HD13 LEU A 61 -11.762 8.282 -21.050 1.00 15.05 H new ATOM 0 HD21 LEU A 61 -12.178 5.231 -21.132 1.00 63.11 H new ATOM 0 HD22 LEU A 61 -12.486 6.308 -22.515 1.00 63.11 H new ATOM 0 HD23 LEU A 61 -11.377 4.926 -22.692 1.00 63.11 H new ATOM 940 N GLY A 62 -7.397 8.208 -21.268 1.00 1.01 N ATOM 941 CA GLY A 62 -6.674 8.379 -20.021 1.00 60.22 C ATOM 942 C GLY A 62 -7.593 8.395 -18.816 1.00 2.43 C ATOM 943 O GLY A 62 -8.737 7.945 -18.874 1.00 71.33 O ATOM 0 H GLY A 62 -7.649 9.076 -21.740 1.00 1.01 H new ATOM 0 HA2 GLY A 62 -5.950 7.572 -19.911 1.00 60.22 H new ATOM 0 HA3 GLY A 62 -6.110 9.311 -20.056 1.00 60.22 H new ATOM 947 N PRO A 63 -7.090 8.924 -17.690 1.00 44.04 N ATOM 948 CA PRO A 63 -7.856 9.009 -16.444 1.00 33.01 C ATOM 949 C PRO A 63 -9.063 9.933 -16.567 1.00 43.42 C ATOM 950 O PRO A 63 -8.937 11.152 -16.455 1.00 51.14 O ATOM 951 CB PRO A 63 -6.846 9.578 -15.444 1.00 54.33 C ATOM 952 CG PRO A 63 -5.835 10.278 -16.285 1.00 23.11 C ATOM 953 CD PRO A 63 -5.733 9.480 -17.548 1.00 74.04 C ATOM 0 HA PRO A 63 -8.267 8.043 -16.152 1.00 33.01 H new ATOM 0 HB2 PRO A 63 -7.324 10.265 -14.746 1.00 54.33 H new ATOM 0 HB3 PRO A 63 -6.388 8.787 -14.850 1.00 54.33 H new ATOM 0 HG2 PRO A 63 -6.142 11.303 -16.494 1.00 23.11 H new ATOM 0 HG3 PRO A 63 -4.872 10.331 -15.777 1.00 23.11 H new ATOM 0 HD2 PRO A 63 -5.459 10.103 -18.400 1.00 74.04 H new ATOM 0 HD3 PRO A 63 -4.980 8.696 -17.472 1.00 74.04 H new ATOM 961 N GLY A 64 -10.233 9.345 -16.798 1.00 45.02 N ATOM 962 CA GLY A 64 -11.445 10.131 -16.933 1.00 2.45 C ATOM 963 C GLY A 64 -12.698 9.282 -16.861 1.00 20.31 C ATOM 964 O GLY A 64 -12.641 8.065 -17.034 1.00 25.21 O ATOM 0 H GLY A 64 -10.363 8.338 -16.894 1.00 45.02 H new ATOM 0 HA2 GLY A 64 -11.475 10.885 -16.146 1.00 2.45 H new ATOM 0 HA3 GLY A 64 -11.425 10.663 -17.884 1.00 2.45 H new ATOM 968 N GLU A 65 -13.833 9.924 -16.604 1.00 0.34 N ATOM 969 CA GLU A 65 -15.105 9.218 -16.507 1.00 21.20 C ATOM 970 C GLU A 65 -15.782 9.127 -17.872 1.00 0.34 C ATOM 971 O GLU A 65 -15.534 9.948 -18.755 1.00 63.35 O ATOM 972 CB GLU A 65 -16.030 9.922 -15.512 1.00 72.50 C ATOM 973 CG GLU A 65 -17.126 9.025 -14.961 1.00 31.20 C ATOM 974 CD GLU A 65 -18.512 9.607 -15.161 1.00 21.01 C ATOM 975 OE1 GLU A 65 -18.849 9.956 -16.311 1.00 72.24 O ATOM 976 OE2 GLU A 65 -19.259 9.713 -14.166 1.00 12.32 O ATOM 0 H GLU A 65 -13.898 10.932 -16.459 1.00 0.34 H new ATOM 0 HA GLU A 65 -14.904 8.207 -16.152 1.00 21.20 H new ATOM 0 HB2 GLU A 65 -15.434 10.305 -14.683 1.00 72.50 H new ATOM 0 HB3 GLU A 65 -16.487 10.783 -16.000 1.00 72.50 H new ATOM 0 HG2 GLU A 65 -17.072 8.051 -15.447 1.00 31.20 H new ATOM 0 HG3 GLU A 65 -16.955 8.861 -13.897 1.00 31.20 H new ATOM 983 N TYR A 66 -16.637 8.124 -18.035 1.00 55.43 N ATOM 984 CA TYR A 66 -17.348 7.924 -19.292 1.00 75.14 C ATOM 985 C TYR A 66 -18.773 7.438 -19.041 1.00 64.23 C ATOM 986 O TYR A 66 -19.002 6.550 -18.220 1.00 2.00 O ATOM 987 CB TYR A 66 -16.602 6.918 -20.170 1.00 43.00 C ATOM 988 CG TYR A 66 -17.410 6.425 -21.349 1.00 15.23 C ATOM 989 CD1 TYR A 66 -17.601 7.226 -22.469 1.00 31.55 C ATOM 990 CD2 TYR A 66 -17.985 5.160 -21.342 1.00 43.14 C ATOM 991 CE1 TYR A 66 -18.340 6.780 -23.548 1.00 21.15 C ATOM 992 CE2 TYR A 66 -18.724 4.706 -22.417 1.00 64.34 C ATOM 993 CZ TYR A 66 -18.899 5.519 -23.517 1.00 44.24 C ATOM 994 OH TYR A 66 -19.635 5.071 -24.590 1.00 32.33 O ATOM 0 H TYR A 66 -16.855 7.437 -17.313 1.00 55.43 H new ATOM 0 HA TYR A 66 -17.396 8.882 -19.809 1.00 75.14 H new ATOM 0 HB2 TYR A 66 -15.685 7.379 -20.537 1.00 43.00 H new ATOM 0 HB3 TYR A 66 -16.308 6.064 -19.560 1.00 43.00 H new ATOM 0 HD1 TYR A 66 -17.164 8.213 -22.496 1.00 31.55 H new ATOM 0 HD2 TYR A 66 -17.852 4.521 -20.482 1.00 43.14 H new ATOM 0 HE1 TYR A 66 -18.479 7.415 -24.411 1.00 21.15 H new ATOM 0 HE2 TYR A 66 -19.163 3.719 -22.396 1.00 64.34 H new ATOM 0 HH TYR A 66 -19.958 4.163 -24.409 1.00 32.33 H new ATOM 1004 N SER A 67 -19.726 8.027 -19.756 1.00 34.53 N ATOM 1005 CA SER A 67 -21.129 7.657 -19.609 1.00 74.14 C ATOM 1006 C SER A 67 -21.937 8.096 -20.827 1.00 42.12 C ATOM 1007 O SER A 67 -22.949 8.785 -20.699 1.00 44.33 O ATOM 1008 CB SER A 67 -21.714 8.284 -18.342 1.00 74.14 C ATOM 1009 OG SER A 67 -21.897 9.680 -18.502 1.00 14.00 O ATOM 0 H SER A 67 -19.553 8.762 -20.442 1.00 34.53 H new ATOM 0 HA SER A 67 -21.186 6.572 -19.528 1.00 74.14 H new ATOM 0 HB2 SER A 67 -22.669 7.813 -18.107 1.00 74.14 H new ATOM 0 HB3 SER A 67 -21.049 8.095 -17.499 1.00 74.14 H new ATOM 0 HG SER A 67 -22.530 9.845 -19.232 1.00 14.00 H new ATOM 1015 N SER A 68 -21.481 7.692 -22.009 1.00 32.45 N ATOM 1016 CA SER A 68 -22.158 8.046 -23.251 1.00 22.32 C ATOM 1017 C SER A 68 -23.285 7.063 -23.555 1.00 1.44 C ATOM 1018 O SER A 68 -23.498 6.099 -22.820 1.00 72.32 O ATOM 1019 CB SER A 68 -21.160 8.070 -24.411 1.00 34.24 C ATOM 1020 OG SER A 68 -20.122 9.004 -24.171 1.00 52.11 O ATOM 0 H SER A 68 -20.646 7.120 -22.132 1.00 32.45 H new ATOM 0 HA SER A 68 -22.589 9.040 -23.131 1.00 22.32 H new ATOM 0 HB2 SER A 68 -20.734 7.076 -24.549 1.00 34.24 H new ATOM 0 HB3 SER A 68 -21.678 8.326 -25.335 1.00 34.24 H new ATOM 0 HG SER A 68 -19.439 8.595 -23.599 1.00 52.11 H new ATOM 1026 N VAL A 69 -24.004 7.316 -24.643 1.00 54.44 N ATOM 1027 CA VAL A 69 -25.109 6.455 -25.047 1.00 35.13 C ATOM 1028 C VAL A 69 -25.587 6.796 -26.454 1.00 24.31 C ATOM 1029 O VAL A 69 -26.758 6.613 -26.784 1.00 22.44 O ATOM 1030 CB VAL A 69 -26.296 6.571 -24.072 1.00 13.12 C ATOM 1031 CG1 VAL A 69 -27.000 7.909 -24.244 1.00 71.50 C ATOM 1032 CG2 VAL A 69 -27.267 5.418 -24.276 1.00 15.12 C ATOM 0 H VAL A 69 -23.841 8.111 -25.261 1.00 54.44 H new ATOM 0 HA VAL A 69 -24.734 5.432 -25.032 1.00 35.13 H new ATOM 0 HB VAL A 69 -25.913 6.518 -23.053 1.00 13.12 H new ATOM 0 HG11 VAL A 69 -27.836 7.973 -23.547 1.00 71.50 H new ATOM 0 HG12 VAL A 69 -26.298 8.718 -24.043 1.00 71.50 H new ATOM 0 HG13 VAL A 69 -27.372 7.996 -25.265 1.00 71.50 H new ATOM 0 HG21 VAL A 69 -28.099 5.516 -23.579 1.00 15.12 H new ATOM 0 HG22 VAL A 69 -27.645 5.437 -25.298 1.00 15.12 H new ATOM 0 HG23 VAL A 69 -26.753 4.474 -24.097 1.00 15.12 H new ATOM 1042 N GLU A 70 -24.671 7.292 -27.280 1.00 5.04 N ATOM 1043 CA GLU A 70 -24.999 7.659 -28.652 1.00 62.32 C ATOM 1044 C GLU A 70 -23.787 8.259 -29.360 1.00 32.04 C ATOM 1045 O GLU A 70 -23.663 8.174 -30.581 1.00 72.13 O ATOM 1046 CB GLU A 70 -26.161 8.654 -28.674 1.00 3.13 C ATOM 1047 CG GLU A 70 -26.031 9.764 -27.644 1.00 22.43 C ATOM 1048 CD GLU A 70 -26.946 10.937 -27.932 1.00 53.51 C ATOM 1049 OE1 GLU A 70 -28.109 10.909 -27.478 1.00 10.41 O ATOM 1050 OE2 GLU A 70 -26.499 11.885 -28.612 1.00 60.32 O ATOM 0 H GLU A 70 -23.696 7.449 -27.023 1.00 5.04 H new ATOM 0 HA GLU A 70 -25.296 6.754 -29.182 1.00 62.32 H new ATOM 0 HB2 GLU A 70 -26.230 9.098 -29.667 1.00 3.13 H new ATOM 0 HB3 GLU A 70 -27.093 8.116 -28.500 1.00 3.13 H new ATOM 0 HG2 GLU A 70 -26.258 9.365 -26.655 1.00 22.43 H new ATOM 0 HG3 GLU A 70 -24.998 10.111 -27.618 1.00 22.43 H new ATOM 1057 N SER A 71 -22.896 8.866 -28.582 1.00 54.53 N ATOM 1058 CA SER A 71 -21.697 9.485 -29.134 1.00 4.23 C ATOM 1059 C SER A 71 -20.543 8.488 -29.179 1.00 2.03 C ATOM 1060 O SER A 71 -19.377 8.874 -29.263 1.00 13.13 O ATOM 1061 CB SER A 71 -21.298 10.706 -28.302 1.00 35.00 C ATOM 1062 OG SER A 71 -20.198 11.383 -28.884 1.00 71.12 O ATOM 0 H SER A 71 -22.982 8.942 -27.568 1.00 54.53 H new ATOM 0 HA SER A 71 -21.919 9.805 -30.152 1.00 4.23 H new ATOM 0 HB2 SER A 71 -22.146 11.386 -28.220 1.00 35.00 H new ATOM 0 HB3 SER A 71 -21.042 10.392 -27.290 1.00 35.00 H new ATOM 0 HG SER A 71 -19.538 10.728 -29.194 1.00 71.12 H new ATOM 1068 N ALA A 72 -20.877 7.203 -29.122 1.00 11.01 N ATOM 1069 CA ALA A 72 -19.870 6.150 -29.158 1.00 74.50 C ATOM 1070 C ALA A 72 -20.261 5.051 -30.140 1.00 61.55 C ATOM 1071 O ALA A 72 -20.038 5.173 -31.344 1.00 71.42 O ATOM 1072 CB ALA A 72 -19.665 5.568 -27.767 1.00 42.11 C ATOM 0 H ALA A 72 -21.837 6.866 -29.051 1.00 11.01 H new ATOM 0 HA ALA A 72 -18.932 6.589 -29.498 1.00 74.50 H new ATOM 0 HB1 ALA A 72 -18.910 4.783 -27.809 1.00 42.11 H new ATOM 0 HB2 ALA A 72 -19.333 6.354 -27.089 1.00 42.11 H new ATOM 0 HB3 ALA A 72 -20.604 5.150 -27.406 1.00 42.11 H new ATOM 1078 N GLY A 73 -20.844 3.976 -29.618 1.00 75.12 N ATOM 1079 CA GLY A 73 -21.256 2.870 -30.464 1.00 3.53 C ATOM 1080 C GLY A 73 -22.048 1.824 -29.705 1.00 52.24 C ATOM 1081 O GLY A 73 -21.582 1.294 -28.696 1.00 73.04 O ATOM 0 H GLY A 73 -21.038 3.851 -28.625 1.00 75.12 H new ATOM 0 HA2 GLY A 73 -21.860 3.252 -31.287 1.00 3.53 H new ATOM 0 HA3 GLY A 73 -20.374 2.405 -30.904 1.00 3.53 H new ATOM 1085 N ILE A 74 -23.249 1.528 -30.190 1.00 71.44 N ATOM 1086 CA ILE A 74 -24.108 0.538 -29.551 1.00 3.52 C ATOM 1087 C ILE A 74 -24.380 -0.637 -30.483 1.00 34.43 C ATOM 1088 O ILE A 74 -25.509 -0.868 -30.918 1.00 43.44 O ATOM 1089 CB ILE A 74 -25.450 1.156 -29.115 1.00 62.40 C ATOM 1090 CG1 ILE A 74 -25.210 2.417 -28.282 1.00 63.43 C ATOM 1091 CG2 ILE A 74 -26.268 0.143 -28.328 1.00 61.53 C ATOM 1092 CD1 ILE A 74 -26.481 3.147 -27.912 1.00 14.12 C ATOM 0 H ILE A 74 -23.649 1.959 -31.023 1.00 71.44 H new ATOM 0 HA ILE A 74 -23.578 0.182 -28.668 1.00 3.52 H new ATOM 0 HB ILE A 74 -26.012 1.434 -30.007 1.00 62.40 H new ATOM 0 HG12 ILE A 74 -24.678 2.145 -27.370 1.00 63.43 H new ATOM 0 HG13 ILE A 74 -24.561 3.093 -28.839 1.00 63.43 H new ATOM 0 HG21 ILE A 74 -27.213 0.594 -28.027 1.00 61.53 H new ATOM 0 HG22 ILE A 74 -26.464 -0.729 -28.952 1.00 61.53 H new ATOM 0 HG23 ILE A 74 -25.713 -0.163 -27.441 1.00 61.53 H new ATOM 0 HD11 ILE A 74 -26.235 4.030 -27.322 1.00 14.12 H new ATOM 0 HD12 ILE A 74 -27.004 3.450 -28.819 1.00 14.12 H new ATOM 0 HD13 ILE A 74 -27.122 2.488 -27.327 1.00 14.12 H new ATOM 1104 N PRO A 75 -23.324 -1.402 -30.795 1.00 43.04 N ATOM 1105 CA PRO A 75 -23.424 -2.569 -31.677 1.00 31.03 C ATOM 1106 C PRO A 75 -23.827 -3.832 -30.923 1.00 11.21 C ATOM 1107 O PRO A 75 -24.860 -4.435 -31.212 1.00 35.43 O ATOM 1108 CB PRO A 75 -22.008 -2.711 -32.240 1.00 22.43 C ATOM 1109 CG PRO A 75 -21.377 -1.380 -32.019 1.00 22.02 C ATOM 1110 CD PRO A 75 -21.949 -1.186 -30.312 1.00 75.33 C ATOM 0 HA PRO A 75 -24.190 -2.438 -32.442 1.00 31.03 H new ATOM 0 HB2 PRO A 75 -21.456 -3.500 -31.729 1.00 22.43 H new ATOM 0 HB3 PRO A 75 -22.027 -2.969 -33.299 1.00 22.43 H new ATOM 0 HG2 PRO A 75 -20.291 -1.393 -32.115 1.00 22.02 H new ATOM 0 HG3 PRO A 75 -21.747 -0.607 -32.692 1.00 22.02 H new ATOM 0 HD2 PRO A 75 -21.580 -1.933 -29.610 1.00 75.33 H new ATOM 0 HD3 PRO A 75 -21.760 -0.209 -29.866 1.00 75.33 H new ATOM 1118 N ASP A 76 -23.006 -4.225 -29.956 1.00 24.31 N ATOM 1119 CA ASP A 76 -23.278 -5.416 -29.159 1.00 65.11 C ATOM 1120 C ASP A 76 -22.178 -5.641 -28.125 1.00 54.24 C ATOM 1121 O ASP A 76 -20.999 -5.716 -28.466 1.00 23.21 O ATOM 1122 CB ASP A 76 -23.403 -6.643 -30.063 1.00 70.24 C ATOM 1123 CG ASP A 76 -22.314 -6.700 -31.117 1.00 12.12 C ATOM 1124 OD1 ASP A 76 -22.499 -6.096 -32.194 1.00 11.33 O ATOM 1125 OD2 ASP A 76 -21.277 -7.349 -30.865 1.00 34.34 O ATOM 0 H ASP A 76 -22.147 -3.737 -29.705 1.00 24.31 H new ATOM 0 HA ASP A 76 -24.221 -5.264 -28.633 1.00 65.11 H new ATOM 0 HB2 ASP A 76 -23.362 -7.546 -29.453 1.00 70.24 H new ATOM 0 HB3 ASP A 76 -24.377 -6.633 -30.552 1.00 70.24 H new ATOM 1130 N ASN A 77 -22.575 -5.746 -26.861 1.00 43.11 N ATOM 1131 CA ASN A 77 -21.623 -5.960 -25.777 1.00 61.31 C ATOM 1132 C ASN A 77 -21.164 -7.415 -25.736 1.00 12.23 C ATOM 1133 O ASN A 77 -21.353 -8.108 -24.736 1.00 53.20 O ATOM 1134 CB ASN A 77 -22.250 -5.573 -24.436 1.00 63.11 C ATOM 1135 CG ASN A 77 -21.208 -5.303 -23.367 1.00 70.55 C ATOM 1136 OD1 ASN A 77 -20.715 -4.183 -23.234 1.00 32.31 O ATOM 1137 ND2 ASN A 77 -20.868 -6.333 -22.600 1.00 42.52 N ATOM 0 H ASN A 77 -23.548 -5.686 -26.562 1.00 43.11 H new ATOM 0 HA ASN A 77 -20.754 -5.328 -25.960 1.00 61.31 H new ATOM 0 HB2 ASN A 77 -22.868 -4.685 -24.570 1.00 63.11 H new ATOM 0 HB3 ASN A 77 -22.910 -6.374 -24.102 1.00 63.11 H new ATOM 0 HD21 ASN A 77 -20.172 -6.213 -21.864 1.00 42.52 H new ATOM 0 HD22 ASN A 77 -21.303 -7.244 -22.747 1.00 42.52 H new ATOM 1144 N SER A 78 -20.560 -7.870 -26.828 1.00 61.44 N ATOM 1145 CA SER A 78 -20.077 -9.243 -26.919 1.00 22.34 C ATOM 1146 C SER A 78 -18.552 -9.281 -26.961 1.00 11.11 C ATOM 1147 O SER A 78 -17.919 -8.462 -27.627 1.00 64.05 O ATOM 1148 CB SER A 78 -20.650 -9.927 -28.161 1.00 62.42 C ATOM 1149 OG SER A 78 -20.275 -11.293 -28.210 1.00 61.11 O ATOM 0 H SER A 78 -20.393 -7.308 -27.663 1.00 61.44 H new ATOM 0 HA SER A 78 -20.412 -9.779 -26.031 1.00 22.34 H new ATOM 0 HB2 SER A 78 -21.737 -9.845 -28.156 1.00 62.42 H new ATOM 0 HB3 SER A 78 -20.296 -9.417 -29.057 1.00 62.42 H new ATOM 0 HG SER A 78 -20.655 -11.708 -29.012 1.00 61.11 H new ATOM 1155 N ILE A 79 -17.970 -10.237 -26.245 1.00 12.23 N ATOM 1156 CA ILE A 79 -16.521 -10.383 -26.201 1.00 4.52 C ATOM 1157 C ILE A 79 -15.844 -9.053 -25.885 1.00 22.12 C ATOM 1158 O ILE A 79 -14.838 -8.695 -26.498 1.00 73.42 O ATOM 1159 CB ILE A 79 -15.968 -10.923 -27.533 1.00 54.11 C ATOM 1160 CG1 ILE A 79 -16.867 -12.040 -28.067 1.00 20.42 C ATOM 1161 CG2 ILE A 79 -14.543 -11.423 -27.352 1.00 11.11 C ATOM 1162 CD1 ILE A 79 -16.392 -12.623 -29.380 1.00 10.43 C ATOM 0 H ILE A 79 -18.480 -10.922 -25.687 1.00 12.23 H new ATOM 0 HA ILE A 79 -16.300 -11.098 -25.409 1.00 4.52 H new ATOM 0 HB ILE A 79 -15.957 -10.111 -28.261 1.00 54.11 H new ATOM 0 HG12 ILE A 79 -16.923 -12.836 -27.325 1.00 20.42 H new ATOM 0 HG13 ILE A 79 -17.877 -11.652 -28.196 1.00 20.42 H new ATOM 0 HG21 ILE A 79 -14.167 -11.801 -28.302 1.00 11.11 H new ATOM 0 HG22 ILE A 79 -13.910 -10.603 -27.012 1.00 11.11 H new ATOM 0 HG23 ILE A 79 -14.529 -12.223 -26.612 1.00 11.11 H new ATOM 0 HD11 ILE A 79 -17.077 -13.409 -29.698 1.00 10.43 H new ATOM 0 HD12 ILE A 79 -16.363 -11.839 -30.137 1.00 10.43 H new ATOM 0 HD13 ILE A 79 -15.394 -13.042 -29.252 1.00 10.43 H new ATOM 1174 N SER A 80 -16.401 -8.326 -24.922 1.00 53.52 N ATOM 1175 CA SER A 80 -15.853 -7.034 -24.525 1.00 41.02 C ATOM 1176 C SER A 80 -14.687 -7.213 -23.557 1.00 73.12 C ATOM 1177 O SER A 80 -14.771 -7.987 -22.604 1.00 31.21 O ATOM 1178 CB SER A 80 -16.939 -6.172 -23.879 1.00 51.45 C ATOM 1179 OG SER A 80 -18.223 -6.519 -24.367 1.00 74.23 O ATOM 0 H SER A 80 -17.231 -8.610 -24.402 1.00 53.52 H new ATOM 0 HA SER A 80 -15.486 -6.532 -25.420 1.00 41.02 H new ATOM 0 HB2 SER A 80 -16.912 -6.298 -22.797 1.00 51.45 H new ATOM 0 HB3 SER A 80 -16.741 -5.120 -24.083 1.00 51.45 H new ATOM 0 HG SER A 80 -18.753 -5.706 -24.499 1.00 74.23 H new ATOM 1185 N SER A 81 -13.600 -6.491 -23.810 1.00 33.12 N ATOM 1186 CA SER A 81 -12.415 -6.572 -22.964 1.00 33.12 C ATOM 1187 C SER A 81 -11.651 -5.252 -22.972 1.00 2.21 C ATOM 1188 O SER A 81 -11.753 -4.467 -23.915 1.00 74.43 O ATOM 1189 CB SER A 81 -11.503 -7.706 -23.435 1.00 44.24 C ATOM 1190 OG SER A 81 -11.488 -8.771 -22.501 1.00 1.11 O ATOM 0 H SER A 81 -13.515 -5.844 -24.594 1.00 33.12 H new ATOM 0 HA SER A 81 -12.740 -6.777 -21.944 1.00 33.12 H new ATOM 0 HB2 SER A 81 -11.844 -8.072 -24.403 1.00 44.24 H new ATOM 0 HB3 SER A 81 -10.491 -7.328 -23.576 1.00 44.24 H new ATOM 0 HG SER A 81 -10.899 -9.483 -22.827 1.00 1.11 H new ATOM 1196 N PHE A 82 -10.884 -5.013 -21.913 1.00 41.02 N ATOM 1197 CA PHE A 82 -10.102 -3.788 -21.796 1.00 51.43 C ATOM 1198 C PHE A 82 -8.910 -3.990 -20.866 1.00 3.11 C ATOM 1199 O PHE A 82 -9.045 -4.553 -19.780 1.00 21.04 O ATOM 1200 CB PHE A 82 -10.979 -2.645 -21.279 1.00 20.41 C ATOM 1201 CG PHE A 82 -11.395 -2.811 -19.845 1.00 70.22 C ATOM 1202 CD1 PHE A 82 -12.234 -3.848 -19.469 1.00 2.00 C ATOM 1203 CD2 PHE A 82 -10.947 -1.931 -18.874 1.00 0.23 C ATOM 1204 CE1 PHE A 82 -12.619 -4.002 -18.151 1.00 23.24 C ATOM 1205 CE2 PHE A 82 -11.328 -2.080 -17.554 1.00 32.35 C ATOM 1206 CZ PHE A 82 -12.164 -3.118 -17.191 1.00 74.15 C ATOM 0 H PHE A 82 -10.788 -5.652 -21.124 1.00 41.02 H new ATOM 0 HA PHE A 82 -9.728 -3.530 -22.787 1.00 51.43 H new ATOM 0 HB2 PHE A 82 -10.437 -1.705 -21.386 1.00 20.41 H new ATOM 0 HB3 PHE A 82 -11.871 -2.571 -21.902 1.00 20.41 H new ATOM 0 HD1 PHE A 82 -12.591 -4.543 -20.214 1.00 2.00 H new ATOM 0 HD2 PHE A 82 -10.292 -1.118 -19.152 1.00 0.23 H new ATOM 0 HE1 PHE A 82 -13.275 -4.813 -17.871 1.00 23.24 H new ATOM 0 HE2 PHE A 82 -10.973 -1.386 -16.807 1.00 32.35 H new ATOM 0 HZ PHE A 82 -12.461 -3.238 -16.160 1.00 74.15 H new ATOM 1216 N ARG A 83 -7.742 -3.527 -21.301 1.00 33.01 N ATOM 1217 CA ARG A 83 -6.525 -3.658 -20.509 1.00 33.31 C ATOM 1218 C ARG A 83 -6.035 -2.293 -20.035 1.00 34.35 C ATOM 1219 O ARG A 83 -5.748 -1.412 -20.844 1.00 0.44 O ATOM 1220 CB ARG A 83 -5.432 -4.349 -21.326 1.00 3.12 C ATOM 1221 CG ARG A 83 -5.848 -5.701 -21.881 1.00 55.02 C ATOM 1222 CD ARG A 83 -5.828 -6.775 -20.805 1.00 72.43 C ATOM 1223 NE ARG A 83 -5.303 -8.043 -21.307 1.00 14.40 N ATOM 1224 CZ ARG A 83 -5.985 -8.855 -22.106 1.00 70.45 C ATOM 1225 NH1 ARG A 83 -7.212 -8.535 -22.493 1.00 40.44 N ATOM 1226 NH2 ARG A 83 -5.439 -9.992 -22.521 1.00 52.51 N ATOM 0 H ARG A 83 -7.613 -3.058 -22.198 1.00 33.01 H new ATOM 0 HA ARG A 83 -6.754 -4.266 -19.634 1.00 33.31 H new ATOM 0 HB2 ARG A 83 -5.143 -3.700 -22.153 1.00 3.12 H new ATOM 0 HB3 ARG A 83 -4.550 -4.479 -20.700 1.00 3.12 H new ATOM 0 HG2 ARG A 83 -6.849 -5.629 -22.306 1.00 55.02 H new ATOM 0 HG3 ARG A 83 -5.177 -5.985 -22.692 1.00 55.02 H new ATOM 0 HD2 ARG A 83 -5.219 -6.437 -19.967 1.00 72.43 H new ATOM 0 HD3 ARG A 83 -6.838 -6.926 -20.425 1.00 72.43 H new ATOM 0 HE ARG A 83 -4.361 -8.319 -21.028 1.00 14.40 H new ATOM 0 HH11 ARG A 83 -7.635 -7.662 -22.177 1.00 40.44 H new ATOM 0 HH12 ARG A 83 -7.733 -9.161 -23.107 1.00 40.44 H new ATOM 0 HH21 ARG A 83 -4.495 -10.242 -22.226 1.00 52.51 H new ATOM 0 HH22 ARG A 83 -5.963 -10.615 -23.135 1.00 52.51 H new ATOM 1240 N GLN A 84 -5.944 -2.127 -18.719 1.00 61.50 N ATOM 1241 CA GLN A 84 -5.490 -0.870 -18.138 1.00 11.52 C ATOM 1242 C GLN A 84 -3.975 -0.867 -17.961 1.00 13.31 C ATOM 1243 O GLN A 84 -3.384 -1.876 -17.577 1.00 22.14 O ATOM 1244 CB GLN A 84 -6.173 -0.630 -16.790 1.00 73.23 C ATOM 1245 CG GLN A 84 -7.687 -0.765 -16.843 1.00 25.11 C ATOM 1246 CD GLN A 84 -8.176 -2.079 -16.265 1.00 43.41 C ATOM 1247 OE1 GLN A 84 -8.291 -2.230 -15.049 1.00 20.34 O ATOM 1248 NE2 GLN A 84 -8.467 -3.037 -17.137 1.00 22.13 N ATOM 0 H GLN A 84 -6.179 -2.847 -18.036 1.00 61.50 H new ATOM 0 HA GLN A 84 -5.759 -0.065 -18.822 1.00 11.52 H new ATOM 0 HB2 GLN A 84 -5.779 -1.338 -16.061 1.00 73.23 H new ATOM 0 HB3 GLN A 84 -5.918 0.369 -16.435 1.00 73.23 H new ATOM 0 HG2 GLN A 84 -8.141 0.060 -16.295 1.00 25.11 H new ATOM 0 HG3 GLN A 84 -8.020 -0.681 -17.878 1.00 25.11 H new ATOM 0 HE21 GLN A 84 -8.357 -2.867 -18.137 1.00 22.13 H new ATOM 0 HE22 GLN A 84 -8.801 -3.943 -16.807 1.00 22.13 H new ATOM 1257 N ILE A 85 -3.354 0.273 -18.244 1.00 3.00 N ATOM 1258 CA ILE A 85 -1.908 0.407 -18.115 1.00 60.52 C ATOM 1259 C ILE A 85 -1.542 1.333 -16.960 1.00 71.24 C ATOM 1260 O ILE A 85 -1.693 2.547 -17.091 1.00 22.42 O ATOM 1261 CB ILE A 85 -1.275 0.946 -19.411 1.00 63.25 C ATOM 1262 CG1 ILE A 85 -1.884 0.250 -20.630 1.00 52.13 C ATOM 1263 CG2 ILE A 85 0.234 0.753 -19.384 1.00 21.30 C ATOM 1264 CD1 ILE A 85 -1.756 -1.257 -20.593 1.00 42.30 C ATOM 0 H ILE A 85 -3.829 1.117 -18.564 1.00 3.00 H new ATOM 0 HA ILE A 85 -1.515 -0.590 -17.916 1.00 60.52 H new ATOM 0 HB ILE A 85 -1.484 2.013 -19.483 1.00 63.25 H new ATOM 0 HG12 ILE A 85 -2.939 0.515 -20.700 1.00 52.13 H new ATOM 0 HG13 ILE A 85 -1.400 0.625 -21.532 1.00 52.13 H new ATOM 0 HG21 ILE A 85 0.667 1.139 -20.307 1.00 21.30 H new ATOM 0 HG22 ILE A 85 0.654 1.290 -18.534 1.00 21.30 H new ATOM 0 HG23 ILE A 85 0.463 -0.309 -19.292 1.00 21.30 H new ATOM 0 HD11 ILE A 85 -2.209 -1.683 -21.488 1.00 42.30 H new ATOM 0 HD12 ILE A 85 -0.702 -1.532 -20.554 1.00 42.30 H new ATOM 0 HD13 ILE A 85 -2.264 -1.644 -19.710 1.00 42.30 H new