USER MOD reduce.3.24.130724 H: found=0, std=0, add=508, rem=0, adj=19 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= -1.51 K(o=-2,f=-1) USER MOD Set 1.2: A 80 SER OG : rot -12:sc= -0.468 USER MOD Set 2.1: A 49 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 53 ASN : amide:sc= 0 X(o=0,f=-0.026) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 HIS : no HD1:sc= -0.222 X(o=-0.22,f=-0.05) USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 147:sc= -0.0664 (180deg=-0.97) USER MOD Single : A 18 SER OG : rot 35:sc= 0.347 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot -50:sc= 0.922 USER MOD Single : A 38 SER OG : rot -92:sc= 1.28 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.478) USER MOD Single : A 43 SER OG : rot 180:sc= -0.285 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= -1.16 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 51:sc= 0.94 USER MOD Single : A 68 SER OG : rot 93:sc= 0.256 USER MOD Single : A 71 SER OG : rot -43:sc= 0.759 USER MOD Single : A 78 SER OG : rot 180:sc= -0.578 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= -7.2! C(o=-7.2!,f=-11!) USER MOD ----------------------------------------------------------------- ATOM 52 N GLU A 5 -6.776 1.945 -8.368 1.00 55.45 N ATOM 53 CA GLU A 5 -8.201 1.662 -8.243 1.00 14.44 C ATOM 54 C GLU A 5 -8.913 1.848 -9.579 1.00 52.35 C ATOM 55 O GLU A 5 -9.226 2.970 -9.978 1.00 54.12 O ATOM 56 CB GLU A 5 -8.833 2.571 -7.185 1.00 61.44 C ATOM 57 CG GLU A 5 -8.169 2.471 -5.822 1.00 51.03 C ATOM 58 CD GLU A 5 -8.660 1.282 -5.020 1.00 33.13 C ATOM 59 OE1 GLU A 5 -9.868 0.973 -5.097 1.00 20.00 O ATOM 60 OE2 GLU A 5 -7.838 0.661 -4.315 1.00 20.33 O ATOM 0 HA GLU A 5 -8.313 0.623 -7.934 1.00 14.44 H new ATOM 0 HB2 GLU A 5 -8.783 3.604 -7.529 1.00 61.44 H new ATOM 0 HB3 GLU A 5 -9.889 2.319 -7.085 1.00 61.44 H new ATOM 0 HG2 GLU A 5 -7.089 2.396 -5.953 1.00 51.03 H new ATOM 0 HG3 GLU A 5 -8.359 3.386 -5.261 1.00 51.03 H new ATOM 67 N VAL A 6 -9.165 0.740 -10.268 1.00 73.42 N ATOM 68 CA VAL A 6 -9.840 0.779 -11.560 1.00 33.10 C ATOM 69 C VAL A 6 -11.254 0.216 -11.459 1.00 5.22 C ATOM 70 O VAL A 6 -11.450 -0.999 -11.461 1.00 21.45 O ATOM 71 CB VAL A 6 -9.059 -0.013 -12.626 1.00 13.24 C ATOM 72 CG1 VAL A 6 -9.877 -0.140 -13.902 1.00 22.30 C ATOM 73 CG2 VAL A 6 -7.719 0.650 -12.905 1.00 40.12 C ATOM 0 H VAL A 6 -8.912 -0.196 -9.953 1.00 73.42 H new ATOM 0 HA VAL A 6 -9.889 1.826 -11.859 1.00 33.10 H new ATOM 0 HB VAL A 6 -8.870 -1.016 -12.244 1.00 13.24 H new ATOM 0 HG11 VAL A 6 -9.309 -0.702 -14.644 1.00 22.30 H new ATOM 0 HG12 VAL A 6 -10.809 -0.662 -13.686 1.00 22.30 H new ATOM 0 HG13 VAL A 6 -10.099 0.853 -14.292 1.00 22.30 H new ATOM 0 HG21 VAL A 6 -7.180 0.078 -13.660 1.00 40.12 H new ATOM 0 HG22 VAL A 6 -7.884 1.665 -13.268 1.00 40.12 H new ATOM 0 HG23 VAL A 6 -7.132 0.683 -11.987 1.00 40.12 H new ATOM 83 N ILE A 7 -12.235 1.108 -11.371 1.00 64.04 N ATOM 84 CA ILE A 7 -13.630 0.700 -11.271 1.00 54.12 C ATOM 85 C ILE A 7 -14.405 1.076 -12.530 1.00 2.52 C ATOM 86 O ILE A 7 -14.285 2.193 -13.035 1.00 32.21 O ATOM 87 CB ILE A 7 -14.317 1.338 -10.049 1.00 51.34 C ATOM 88 CG1 ILE A 7 -15.686 0.696 -9.813 1.00 42.40 C ATOM 89 CG2 ILE A 7 -14.457 2.841 -10.245 1.00 74.53 C ATOM 90 CD1 ILE A 7 -16.235 0.938 -8.424 1.00 41.05 C ATOM 0 H ILE A 7 -12.089 2.118 -11.367 1.00 64.04 H new ATOM 0 HA ILE A 7 -13.634 -0.384 -11.155 1.00 54.12 H new ATOM 0 HB ILE A 7 -13.698 1.162 -9.169 1.00 51.34 H new ATOM 0 HG12 ILE A 7 -16.392 1.085 -10.547 1.00 42.40 H new ATOM 0 HG13 ILE A 7 -15.609 -0.378 -9.983 1.00 42.40 H new ATOM 0 HG21 ILE A 7 -14.944 3.278 -9.373 1.00 74.53 H new ATOM 0 HG22 ILE A 7 -13.469 3.285 -10.369 1.00 74.53 H new ATOM 0 HG23 ILE A 7 -15.058 3.038 -11.133 1.00 74.53 H new ATOM 0 HD11 ILE A 7 -17.207 0.455 -8.328 1.00 41.05 H new ATOM 0 HD12 ILE A 7 -15.549 0.524 -7.685 1.00 41.05 H new ATOM 0 HD13 ILE A 7 -16.345 2.010 -8.258 1.00 41.05 H new ATOM 102 N VAL A 8 -15.201 0.138 -13.031 1.00 71.51 N ATOM 103 CA VAL A 8 -15.998 0.371 -14.229 1.00 53.03 C ATOM 104 C VAL A 8 -17.308 -0.407 -14.178 1.00 73.10 C ATOM 105 O VAL A 8 -17.417 -1.414 -13.478 1.00 73.22 O ATOM 106 CB VAL A 8 -15.228 -0.026 -15.502 1.00 44.04 C ATOM 107 CG1 VAL A 8 -13.878 0.674 -15.550 1.00 10.01 C ATOM 108 CG2 VAL A 8 -15.057 -1.536 -15.572 1.00 50.03 C ATOM 0 H VAL A 8 -15.311 -0.791 -12.626 1.00 71.51 H new ATOM 0 HA VAL A 8 -16.214 1.439 -14.262 1.00 53.03 H new ATOM 0 HB VAL A 8 -15.806 0.292 -16.369 1.00 44.04 H new ATOM 0 HG11 VAL A 8 -13.348 0.381 -16.457 1.00 10.01 H new ATOM 0 HG12 VAL A 8 -14.028 1.754 -15.550 1.00 10.01 H new ATOM 0 HG13 VAL A 8 -13.289 0.389 -14.678 1.00 10.01 H new ATOM 0 HG21 VAL A 8 -14.511 -1.799 -16.478 1.00 50.03 H new ATOM 0 HG22 VAL A 8 -14.501 -1.880 -14.700 1.00 50.03 H new ATOM 0 HG23 VAL A 8 -16.037 -2.013 -15.588 1.00 50.03 H new ATOM 118 N TYR A 9 -18.300 0.066 -14.924 1.00 14.01 N ATOM 119 CA TYR A 9 -19.605 -0.584 -14.962 1.00 61.24 C ATOM 120 C TYR A 9 -19.945 -1.039 -16.378 1.00 53.03 C ATOM 121 O TYR A 9 -19.669 -0.337 -17.350 1.00 44.02 O ATOM 122 CB TYR A 9 -20.687 0.366 -14.446 1.00 21.42 C ATOM 123 CG TYR A 9 -20.299 1.094 -13.179 1.00 21.43 C ATOM 124 CD1 TYR A 9 -19.540 0.466 -12.198 1.00 73.12 C ATOM 125 CD2 TYR A 9 -20.691 2.408 -12.961 1.00 55.53 C ATOM 126 CE1 TYR A 9 -19.184 1.127 -11.039 1.00 21.35 C ATOM 127 CE2 TYR A 9 -20.338 3.078 -11.805 1.00 75.55 C ATOM 128 CZ TYR A 9 -19.585 2.432 -10.847 1.00 40.40 C ATOM 129 OH TYR A 9 -19.233 3.095 -9.694 1.00 5.04 O ATOM 0 H TYR A 9 -18.226 0.897 -15.511 1.00 14.01 H new ATOM 0 HA TYR A 9 -19.565 -1.462 -14.317 1.00 61.24 H new ATOM 0 HB2 TYR A 9 -20.915 1.098 -15.220 1.00 21.42 H new ATOM 0 HB3 TYR A 9 -21.600 -0.201 -14.264 1.00 21.42 H new ATOM 0 HD1 TYR A 9 -19.223 -0.556 -12.345 1.00 73.12 H new ATOM 0 HD2 TYR A 9 -21.283 2.916 -13.708 1.00 55.53 H new ATOM 0 HE1 TYR A 9 -18.594 0.624 -10.287 1.00 21.35 H new ATOM 0 HE2 TYR A 9 -20.650 4.101 -11.653 1.00 75.55 H new ATOM 0 HH TYR A 9 -19.594 4.006 -9.717 1.00 5.04 H new ATOM 139 N GLU A 10 -20.548 -2.219 -16.485 1.00 13.01 N ATOM 140 CA GLU A 10 -20.927 -2.768 -17.782 1.00 22.24 C ATOM 141 C GLU A 10 -22.381 -2.440 -18.108 1.00 21.10 C ATOM 142 O GLU A 10 -23.053 -3.187 -18.820 1.00 42.25 O ATOM 143 CB GLU A 10 -20.718 -4.284 -17.799 1.00 13.02 C ATOM 144 CG GLU A 10 -19.261 -4.697 -17.917 1.00 3.41 C ATOM 145 CD GLU A 10 -18.819 -5.608 -16.788 1.00 51.30 C ATOM 146 OE1 GLU A 10 -19.206 -6.795 -16.797 1.00 41.20 O ATOM 147 OE2 GLU A 10 -18.086 -5.133 -15.896 1.00 2.35 O ATOM 0 H GLU A 10 -20.784 -2.813 -15.690 1.00 13.01 H new ATOM 0 HA GLU A 10 -20.291 -2.312 -18.541 1.00 22.24 H new ATOM 0 HB2 GLU A 10 -21.135 -4.710 -16.886 1.00 13.02 H new ATOM 0 HB3 GLU A 10 -21.276 -4.710 -18.633 1.00 13.02 H new ATOM 0 HG2 GLU A 10 -19.107 -5.204 -18.869 1.00 3.41 H new ATOM 0 HG3 GLU A 10 -18.634 -3.805 -17.926 1.00 3.41 H new ATOM 154 N HIS A 11 -22.861 -1.318 -17.581 1.00 61.00 N ATOM 155 CA HIS A 11 -24.235 -0.890 -17.816 1.00 34.02 C ATOM 156 C HIS A 11 -24.494 0.476 -17.187 1.00 31.43 C ATOM 157 O HIS A 11 -23.566 1.152 -16.743 1.00 31.24 O ATOM 158 CB HIS A 11 -25.216 -1.919 -17.251 1.00 44.41 C ATOM 159 CG HIS A 11 -26.309 -2.290 -18.205 1.00 33.14 C ATOM 160 ND1 HIS A 11 -26.975 -3.497 -18.153 1.00 41.32 N ATOM 161 CD2 HIS A 11 -26.854 -1.605 -19.237 1.00 71.32 C ATOM 162 CE1 HIS A 11 -27.881 -3.539 -19.114 1.00 45.40 C ATOM 163 NE2 HIS A 11 -27.828 -2.403 -19.786 1.00 50.20 N ATOM 0 H HIS A 11 -22.319 -0.689 -16.989 1.00 61.00 H new ATOM 0 HA HIS A 11 -24.385 -0.809 -18.893 1.00 34.02 H new ATOM 0 HB2 HIS A 11 -24.667 -2.818 -16.973 1.00 44.41 H new ATOM 0 HB3 HIS A 11 -25.661 -1.522 -16.338 1.00 44.41 H new ATOM 0 HD2 HIS A 11 -26.575 -0.615 -19.567 1.00 71.32 H new ATOM 0 HE1 HIS A 11 -28.551 -4.362 -19.316 1.00 45.40 H new ATOM 0 HE2 HIS A 11 -28.415 -2.158 -20.583 1.00 50.20 H new ATOM 171 N VAL A 12 -25.761 0.876 -17.153 1.00 33.22 N ATOM 172 CA VAL A 12 -26.142 2.160 -16.578 1.00 52.50 C ATOM 173 C VAL A 12 -25.801 2.221 -15.093 1.00 51.04 C ATOM 174 O VAL A 12 -25.814 1.204 -14.401 1.00 65.04 O ATOM 175 CB VAL A 12 -27.647 2.432 -16.759 1.00 54.22 C ATOM 176 CG1 VAL A 12 -28.470 1.460 -15.927 1.00 3.43 C ATOM 177 CG2 VAL A 12 -27.976 3.872 -16.393 1.00 73.41 C ATOM 0 H VAL A 12 -26.541 0.329 -17.517 1.00 33.22 H new ATOM 0 HA VAL A 12 -25.575 2.925 -17.110 1.00 52.50 H new ATOM 0 HB VAL A 12 -27.902 2.280 -17.808 1.00 54.22 H new ATOM 0 HG11 VAL A 12 -29.531 1.668 -16.068 1.00 3.43 H new ATOM 0 HG12 VAL A 12 -28.255 0.439 -16.242 1.00 3.43 H new ATOM 0 HG13 VAL A 12 -28.214 1.576 -14.874 1.00 3.43 H new ATOM 0 HG21 VAL A 12 -29.044 4.047 -16.527 1.00 73.41 H new ATOM 0 HG22 VAL A 12 -27.706 4.054 -15.353 1.00 73.41 H new ATOM 0 HG23 VAL A 12 -27.414 4.549 -17.037 1.00 73.41 H new ATOM 187 N ASN A 13 -25.497 3.421 -14.610 1.00 51.32 N ATOM 188 CA ASN A 13 -25.152 3.615 -13.206 1.00 53.14 C ATOM 189 C ASN A 13 -26.217 3.010 -12.296 1.00 65.32 C ATOM 190 O ASN A 13 -25.917 2.176 -11.442 1.00 24.52 O ATOM 191 CB ASN A 13 -24.991 5.106 -12.900 1.00 73.44 C ATOM 192 CG ASN A 13 -24.225 5.352 -11.615 1.00 54.50 C ATOM 193 OD1 ASN A 13 -23.014 5.142 -11.551 1.00 32.22 O ATOM 194 ND2 ASN A 13 -24.931 5.801 -10.583 1.00 44.32 N ATOM 0 H ASN A 13 -25.482 4.274 -15.170 1.00 51.32 H new ATOM 0 HA ASN A 13 -24.206 3.108 -13.016 1.00 53.14 H new ATOM 0 HB2 ASN A 13 -24.472 5.590 -13.727 1.00 73.44 H new ATOM 0 HB3 ASN A 13 -25.976 5.568 -12.827 1.00 73.44 H new ATOM 0 HD21 ASN A 13 -24.470 5.986 -9.692 1.00 44.32 H new ATOM 0 HD22 ASN A 13 -25.934 5.961 -10.682 1.00 44.32 H new ATOM 201 N PHE A 14 -27.461 3.435 -12.486 1.00 11.22 N ATOM 202 CA PHE A 14 -28.571 2.936 -11.682 1.00 64.31 C ATOM 203 C PHE A 14 -29.154 1.664 -12.291 1.00 53.33 C ATOM 204 O PHE A 14 -30.370 1.478 -12.320 1.00 30.25 O ATOM 205 CB PHE A 14 -29.660 4.003 -11.559 1.00 73.24 C ATOM 206 CG PHE A 14 -30.141 4.523 -12.884 1.00 14.23 C ATOM 207 CD1 PHE A 14 -29.504 5.590 -13.497 1.00 31.31 C ATOM 208 CD2 PHE A 14 -31.231 3.946 -13.515 1.00 54.01 C ATOM 209 CE1 PHE A 14 -29.944 6.071 -14.716 1.00 30.13 C ATOM 210 CE2 PHE A 14 -31.676 4.423 -14.734 1.00 64.50 C ATOM 211 CZ PHE A 14 -31.032 5.487 -15.334 1.00 61.05 C ATOM 0 H PHE A 14 -27.726 4.124 -13.190 1.00 11.22 H new ATOM 0 HA PHE A 14 -28.191 2.700 -10.688 1.00 64.31 H new ATOM 0 HB2 PHE A 14 -30.506 3.586 -11.012 1.00 73.24 H new ATOM 0 HB3 PHE A 14 -29.277 4.835 -10.968 1.00 73.24 H new ATOM 0 HD1 PHE A 14 -28.654 6.051 -13.017 1.00 31.31 H new ATOM 0 HD2 PHE A 14 -31.739 3.114 -13.049 1.00 54.01 H new ATOM 0 HE1 PHE A 14 -29.438 6.902 -15.184 1.00 30.13 H new ATOM 0 HE2 PHE A 14 -32.526 3.964 -15.216 1.00 64.50 H new ATOM 0 HZ PHE A 14 -31.379 5.862 -16.286 1.00 61.05 H new ATOM 221 N GLY A 15 -28.277 0.792 -12.779 1.00 33.11 N ATOM 222 CA GLY A 15 -28.724 -0.450 -13.382 1.00 25.42 C ATOM 223 C GLY A 15 -27.580 -1.254 -13.968 1.00 23.23 C ATOM 224 O GLY A 15 -27.726 -1.883 -15.015 1.00 31.22 O ATOM 0 H GLY A 15 -27.266 0.923 -12.768 1.00 33.11 H new ATOM 0 HA2 GLY A 15 -29.239 -1.050 -12.632 1.00 25.42 H new ATOM 0 HA3 GLY A 15 -29.448 -0.230 -14.166 1.00 25.42 H new ATOM 228 N GLY A 16 -26.435 -1.233 -13.291 1.00 14.32 N ATOM 229 CA GLY A 16 -25.278 -1.967 -13.767 1.00 21.31 C ATOM 230 C GLY A 16 -24.472 -2.576 -12.636 1.00 74.24 C ATOM 231 O GLY A 16 -24.664 -2.230 -11.470 1.00 72.24 O ATOM 0 H GLY A 16 -26.289 -0.720 -12.421 1.00 14.32 H new ATOM 0 HA2 GLY A 16 -25.606 -2.757 -14.442 1.00 21.31 H new ATOM 0 HA3 GLY A 16 -24.640 -1.298 -14.345 1.00 21.31 H new ATOM 235 N LYS A 17 -23.569 -3.487 -12.980 1.00 65.40 N ATOM 236 CA LYS A 17 -22.730 -4.147 -11.986 1.00 34.20 C ATOM 237 C LYS A 17 -21.444 -3.362 -11.752 1.00 22.14 C ATOM 238 O LYS A 17 -20.873 -2.795 -12.683 1.00 53.41 O ATOM 239 CB LYS A 17 -22.397 -5.572 -12.435 1.00 4.32 C ATOM 240 CG LYS A 17 -21.369 -5.632 -13.551 1.00 64.44 C ATOM 241 CD LYS A 17 -20.019 -6.109 -13.042 1.00 31.55 C ATOM 242 CE LYS A 17 -20.080 -7.554 -12.570 1.00 73.31 C ATOM 243 NZ LYS A 17 -19.910 -7.664 -11.095 1.00 35.02 N ATOM 0 H LYS A 17 -23.399 -3.786 -13.940 1.00 65.40 H new ATOM 0 HA LYS A 17 -23.284 -4.189 -11.048 1.00 34.20 H new ATOM 0 HB2 LYS A 17 -22.026 -6.136 -11.580 1.00 4.32 H new ATOM 0 HB3 LYS A 17 -23.312 -6.062 -12.768 1.00 4.32 H new ATOM 0 HG2 LYS A 17 -21.721 -6.303 -14.335 1.00 64.44 H new ATOM 0 HG3 LYS A 17 -21.261 -4.645 -14.001 1.00 64.44 H new ATOM 0 HD2 LYS A 17 -19.276 -6.015 -13.834 1.00 31.55 H new ATOM 0 HD3 LYS A 17 -19.692 -5.471 -12.221 1.00 31.55 H new ATOM 0 HE2 LYS A 17 -21.036 -7.990 -12.859 1.00 73.31 H new ATOM 0 HE3 LYS A 17 -19.302 -8.132 -13.069 1.00 73.31 H new ATOM 0 HZ1 LYS A 17 -20.472 -8.464 -10.739 1.00 35.02 H new ATOM 0 HZ2 LYS A 17 -18.906 -7.820 -10.872 1.00 35.02 H new ATOM 0 HZ3 LYS A 17 -20.233 -6.785 -10.642 1.00 35.02 H new ATOM 257 N SER A 18 -20.991 -3.335 -10.502 1.00 35.30 N ATOM 258 CA SER A 18 -19.773 -2.618 -10.145 1.00 52.23 C ATOM 259 C SER A 18 -18.564 -3.548 -10.184 1.00 51.52 C ATOM 260 O SER A 18 -18.514 -4.550 -9.471 1.00 71.12 O ATOM 261 CB SER A 18 -19.910 -1.998 -8.753 1.00 61.50 C ATOM 262 OG SER A 18 -20.156 -2.993 -7.774 1.00 64.32 O ATOM 0 H SER A 18 -21.450 -3.802 -9.720 1.00 35.30 H new ATOM 0 HA SER A 18 -19.621 -1.823 -10.875 1.00 52.23 H new ATOM 0 HB2 SER A 18 -18.999 -1.454 -8.502 1.00 61.50 H new ATOM 0 HB3 SER A 18 -20.724 -1.274 -8.753 1.00 61.50 H new ATOM 0 HG SER A 18 -19.668 -3.810 -8.008 1.00 64.32 H new ATOM 268 N PHE A 19 -17.591 -3.207 -11.023 1.00 22.25 N ATOM 269 CA PHE A 19 -16.381 -4.011 -11.156 1.00 54.15 C ATOM 270 C PHE A 19 -15.148 -3.211 -10.747 1.00 14.23 C ATOM 271 O PHE A 19 -14.629 -2.409 -11.524 1.00 31.15 O ATOM 272 CB PHE A 19 -16.228 -4.504 -12.597 1.00 0.31 C ATOM 273 CG PHE A 19 -15.934 -5.973 -12.700 1.00 32.13 C ATOM 274 CD1 PHE A 19 -16.847 -6.909 -12.241 1.00 21.22 C ATOM 275 CD2 PHE A 19 -14.746 -6.418 -13.256 1.00 22.33 C ATOM 276 CE1 PHE A 19 -16.579 -8.262 -12.334 1.00 4.24 C ATOM 277 CE2 PHE A 19 -14.472 -7.770 -13.351 1.00 52.25 C ATOM 278 CZ PHE A 19 -15.390 -8.693 -12.891 1.00 14.33 C ATOM 0 H PHE A 19 -17.617 -2.381 -11.620 1.00 22.25 H new ATOM 0 HA PHE A 19 -16.471 -4.871 -10.492 1.00 54.15 H new ATOM 0 HB2 PHE A 19 -17.144 -4.286 -13.146 1.00 0.31 H new ATOM 0 HB3 PHE A 19 -15.426 -3.946 -13.080 1.00 0.31 H new ATOM 0 HD1 PHE A 19 -17.778 -6.578 -11.806 1.00 21.22 H new ATOM 0 HD2 PHE A 19 -14.025 -5.701 -13.620 1.00 22.33 H new ATOM 0 HE1 PHE A 19 -17.298 -8.982 -11.972 1.00 4.24 H new ATOM 0 HE2 PHE A 19 -13.541 -8.104 -13.785 1.00 52.25 H new ATOM 0 HZ PHE A 19 -15.179 -9.750 -12.966 1.00 14.33 H new ATOM 461 N ASP A 34 -24.499 -3.731 -26.222 1.00 50.20 N ATOM 462 CA ASP A 34 -23.687 -2.530 -26.064 1.00 11.30 C ATOM 463 C ASP A 34 -24.545 -1.348 -25.623 1.00 51.01 C ATOM 464 O ASP A 34 -24.645 -0.342 -26.327 1.00 30.55 O ATOM 465 CB ASP A 34 -22.972 -2.196 -27.374 1.00 2.10 C ATOM 466 CG ASP A 34 -21.517 -2.621 -27.364 1.00 5.14 C ATOM 467 OD1 ASP A 34 -20.985 -2.887 -26.266 1.00 24.22 O ATOM 468 OD2 ASP A 34 -20.909 -2.686 -28.453 1.00 73.21 O ATOM 0 HA ASP A 34 -22.942 -2.724 -25.292 1.00 11.30 H new ATOM 0 HB2 ASP A 34 -23.485 -2.688 -28.200 1.00 2.10 H new ATOM 0 HB3 ASP A 34 -23.033 -1.123 -27.554 1.00 2.10 H new ATOM 473 N LYS A 35 -25.164 -1.476 -24.454 1.00 70.33 N ATOM 474 CA LYS A 35 -26.014 -0.420 -23.918 1.00 41.21 C ATOM 475 C LYS A 35 -25.185 0.616 -23.166 1.00 41.40 C ATOM 476 O LYS A 35 -23.959 0.518 -23.105 1.00 41.43 O ATOM 477 CB LYS A 35 -27.074 -1.013 -22.988 1.00 33.14 C ATOM 478 CG LYS A 35 -28.469 -1.033 -23.589 1.00 62.32 C ATOM 479 CD LYS A 35 -28.488 -1.751 -24.928 1.00 70.42 C ATOM 480 CE LYS A 35 -28.586 -0.770 -26.086 1.00 4.32 C ATOM 481 NZ LYS A 35 -29.985 -0.624 -26.573 1.00 12.00 N ATOM 0 H LYS A 35 -25.093 -2.302 -23.859 1.00 70.33 H new ATOM 0 HA LYS A 35 -26.509 0.074 -24.754 1.00 41.21 H new ATOM 0 HB2 LYS A 35 -26.786 -2.031 -22.725 1.00 33.14 H new ATOM 0 HB3 LYS A 35 -27.095 -0.439 -22.062 1.00 33.14 H new ATOM 0 HG2 LYS A 35 -29.156 -1.526 -22.901 1.00 62.32 H new ATOM 0 HG3 LYS A 35 -28.826 -0.011 -23.718 1.00 62.32 H new ATOM 0 HD2 LYS A 35 -27.584 -2.350 -25.033 1.00 70.42 H new ATOM 0 HD3 LYS A 35 -29.332 -2.439 -24.961 1.00 70.42 H new ATOM 0 HE2 LYS A 35 -28.208 0.203 -25.771 1.00 4.32 H new ATOM 0 HE3 LYS A 35 -27.950 -1.109 -26.904 1.00 4.32 H new ATOM 0 HZ1 LYS A 35 -30.009 0.053 -27.362 1.00 12.00 H new ATOM 0 HZ2 LYS A 35 -30.338 -1.547 -26.898 1.00 12.00 H new ATOM 0 HZ3 LYS A 35 -30.587 -0.276 -25.800 1.00 12.00 H new ATOM 495 N ILE A 36 -25.861 1.607 -22.594 1.00 73.30 N ATOM 496 CA ILE A 36 -25.186 2.659 -21.844 1.00 75.30 C ATOM 497 C ILE A 36 -24.227 2.071 -20.815 1.00 44.11 C ATOM 498 O ILE A 36 -24.561 1.117 -20.113 1.00 30.02 O ATOM 499 CB ILE A 36 -26.196 3.573 -21.125 1.00 5.23 C ATOM 500 CG1 ILE A 36 -25.460 4.647 -20.320 1.00 53.23 C ATOM 501 CG2 ILE A 36 -27.102 2.753 -20.219 1.00 23.21 C ATOM 502 CD1 ILE A 36 -26.196 5.968 -20.262 1.00 64.22 C ATOM 0 H ILE A 36 -26.876 1.703 -22.636 1.00 73.30 H new ATOM 0 HA ILE A 36 -24.622 3.250 -22.566 1.00 75.30 H new ATOM 0 HB ILE A 36 -26.815 4.066 -21.874 1.00 5.23 H new ATOM 0 HG12 ILE A 36 -25.301 4.284 -19.305 1.00 53.23 H new ATOM 0 HG13 ILE A 36 -24.475 4.808 -20.759 1.00 53.23 H new ATOM 0 HG21 ILE A 36 -27.810 3.413 -19.718 1.00 23.21 H new ATOM 0 HG22 ILE A 36 -27.647 2.022 -20.815 1.00 23.21 H new ATOM 0 HG23 ILE A 36 -26.499 2.235 -19.473 1.00 23.21 H new ATOM 0 HD11 ILE A 36 -25.617 6.682 -19.676 1.00 64.22 H new ATOM 0 HD12 ILE A 36 -26.332 6.354 -21.272 1.00 64.22 H new ATOM 0 HD13 ILE A 36 -27.170 5.822 -19.796 1.00 64.22 H new ATOM 514 N SER A 37 -23.032 2.649 -20.730 1.00 75.42 N ATOM 515 CA SER A 37 -22.022 2.181 -19.788 1.00 54.11 C ATOM 516 C SER A 37 -21.379 3.354 -19.055 1.00 15.25 C ATOM 517 O SER A 37 -21.438 4.495 -19.513 1.00 55.02 O ATOM 518 CB SER A 37 -20.949 1.372 -20.518 1.00 72.44 C ATOM 519 OG SER A 37 -20.512 0.277 -19.731 1.00 42.51 O ATOM 0 H SER A 37 -22.740 3.442 -21.302 1.00 75.42 H new ATOM 0 HA SER A 37 -22.513 1.541 -19.055 1.00 54.11 H new ATOM 0 HB2 SER A 37 -21.346 1.007 -21.466 1.00 72.44 H new ATOM 0 HB3 SER A 37 -20.101 2.016 -20.754 1.00 72.44 H new ATOM 0 HG SER A 37 -20.289 0.590 -18.830 1.00 42.51 H new ATOM 525 N SER A 38 -20.765 3.065 -17.912 1.00 34.52 N ATOM 526 CA SER A 38 -20.114 4.095 -17.111 1.00 71.14 C ATOM 527 C SER A 38 -18.687 3.687 -16.757 1.00 74.23 C ATOM 528 O SER A 38 -18.468 2.683 -16.079 1.00 23.20 O ATOM 529 CB SER A 38 -20.913 4.359 -15.834 1.00 31.03 C ATOM 530 OG SER A 38 -20.052 4.609 -14.736 1.00 51.44 O ATOM 0 H SER A 38 -20.705 2.125 -17.520 1.00 34.52 H new ATOM 0 HA SER A 38 -20.076 5.010 -17.702 1.00 71.14 H new ATOM 0 HB2 SER A 38 -21.573 5.213 -15.984 1.00 31.03 H new ATOM 0 HB3 SER A 38 -21.548 3.500 -15.614 1.00 31.03 H new ATOM 0 HG SER A 38 -19.872 3.769 -14.263 1.00 51.44 H new ATOM 536 N ILE A 39 -17.722 4.472 -17.222 1.00 4.44 N ATOM 537 CA ILE A 39 -16.316 4.194 -16.954 1.00 11.25 C ATOM 538 C ILE A 39 -15.663 5.345 -16.196 1.00 44.23 C ATOM 539 O ILE A 39 -15.490 6.439 -16.735 1.00 13.14 O ATOM 540 CB ILE A 39 -15.534 3.942 -18.256 1.00 21.41 C ATOM 541 CG1 ILE A 39 -15.651 2.473 -18.670 1.00 53.55 C ATOM 542 CG2 ILE A 39 -14.074 4.333 -18.082 1.00 12.35 C ATOM 543 CD1 ILE A 39 -17.080 1.992 -18.792 1.00 53.43 C ATOM 0 H ILE A 39 -17.887 5.306 -17.786 1.00 4.44 H new ATOM 0 HA ILE A 39 -16.284 3.294 -16.341 1.00 11.25 H new ATOM 0 HB ILE A 39 -15.964 4.559 -19.045 1.00 21.41 H new ATOM 0 HG12 ILE A 39 -15.146 2.332 -19.625 1.00 53.55 H new ATOM 0 HG13 ILE A 39 -15.129 1.855 -17.939 1.00 53.55 H new ATOM 0 HG21 ILE A 39 -13.535 4.149 -19.011 1.00 12.35 H new ATOM 0 HG22 ILE A 39 -14.008 5.391 -17.828 1.00 12.35 H new ATOM 0 HG23 ILE A 39 -13.631 3.740 -17.282 1.00 12.35 H new ATOM 0 HD11 ILE A 39 -17.087 0.943 -19.088 1.00 53.43 H new ATOM 0 HD12 ILE A 39 -17.584 2.101 -17.832 1.00 53.43 H new ATOM 0 HD13 ILE A 39 -17.601 2.585 -19.544 1.00 53.43 H new ATOM 555 N LYS A 40 -15.298 5.091 -14.944 1.00 54.10 N ATOM 556 CA LYS A 40 -14.660 6.104 -14.112 1.00 12.13 C ATOM 557 C LYS A 40 -13.374 5.567 -13.491 1.00 53.33 C ATOM 558 O LYS A 40 -13.408 4.854 -12.488 1.00 43.14 O ATOM 559 CB LYS A 40 -15.617 6.565 -13.010 1.00 0.11 C ATOM 560 CG LYS A 40 -15.112 7.766 -12.229 1.00 61.00 C ATOM 561 CD LYS A 40 -15.163 7.519 -10.731 1.00 20.53 C ATOM 562 CE LYS A 40 -16.596 7.434 -10.228 1.00 51.13 C ATOM 563 NZ LYS A 40 -16.721 7.914 -8.824 1.00 22.20 N ATOM 0 H LYS A 40 -15.433 4.191 -14.483 1.00 54.10 H new ATOM 0 HA LYS A 40 -14.409 6.954 -14.746 1.00 12.13 H new ATOM 0 HB2 LYS A 40 -16.580 6.812 -13.457 1.00 0.11 H new ATOM 0 HB3 LYS A 40 -15.788 5.739 -12.320 1.00 0.11 H new ATOM 0 HG2 LYS A 40 -14.088 7.990 -12.527 1.00 61.00 H new ATOM 0 HG3 LYS A 40 -15.714 8.641 -12.475 1.00 61.00 H new ATOM 0 HD2 LYS A 40 -14.638 6.593 -10.496 1.00 20.53 H new ATOM 0 HD3 LYS A 40 -14.641 8.322 -10.211 1.00 20.53 H new ATOM 0 HE2 LYS A 40 -17.243 8.028 -10.874 1.00 51.13 H new ATOM 0 HE3 LYS A 40 -16.942 6.402 -10.291 1.00 51.13 H new ATOM 0 HZ1 LYS A 40 -17.712 7.840 -8.519 1.00 22.20 H new ATOM 0 HZ2 LYS A 40 -16.123 7.332 -8.203 1.00 22.20 H new ATOM 0 HZ3 LYS A 40 -16.415 8.906 -8.768 1.00 22.20 H new ATOM 577 N VAL A 41 -12.242 5.916 -14.093 1.00 64.24 N ATOM 578 CA VAL A 41 -10.944 5.471 -13.598 1.00 54.12 C ATOM 579 C VAL A 41 -9.870 6.522 -13.852 1.00 4.21 C ATOM 580 O VAL A 41 -9.950 7.290 -14.811 1.00 13.32 O ATOM 581 CB VAL A 41 -10.517 4.146 -14.256 1.00 64.05 C ATOM 582 CG1 VAL A 41 -9.240 3.620 -13.618 1.00 42.33 C ATOM 583 CG2 VAL A 41 -11.634 3.118 -14.159 1.00 4.04 C ATOM 0 H VAL A 41 -12.197 6.505 -14.924 1.00 64.24 H new ATOM 0 HA VAL A 41 -11.050 5.317 -12.524 1.00 54.12 H new ATOM 0 HB VAL A 41 -10.317 4.333 -15.311 1.00 64.05 H new ATOM 0 HG11 VAL A 41 -8.954 2.683 -14.096 1.00 42.33 H new ATOM 0 HG12 VAL A 41 -8.442 4.351 -13.745 1.00 42.33 H new ATOM 0 HG13 VAL A 41 -9.408 3.448 -12.555 1.00 42.33 H new ATOM 0 HG21 VAL A 41 -11.314 2.188 -14.629 1.00 4.04 H new ATOM 0 HG22 VAL A 41 -11.868 2.933 -13.111 1.00 4.04 H new ATOM 0 HG23 VAL A 41 -12.521 3.496 -14.668 1.00 4.04 H new ATOM 593 N LYS A 42 -8.862 6.551 -12.986 1.00 70.12 N ATOM 594 CA LYS A 42 -7.768 7.506 -13.116 1.00 12.30 C ATOM 595 C LYS A 42 -6.423 6.831 -12.867 1.00 74.23 C ATOM 596 O LYS A 42 -5.926 6.813 -11.742 1.00 22.24 O ATOM 597 CB LYS A 42 -7.958 8.666 -12.135 1.00 65.23 C ATOM 598 CG LYS A 42 -8.481 9.934 -12.787 1.00 2.22 C ATOM 599 CD LYS A 42 -9.756 10.420 -12.118 1.00 22.52 C ATOM 600 CE LYS A 42 -10.955 9.578 -12.527 1.00 10.11 C ATOM 601 NZ LYS A 42 -11.589 8.910 -11.357 1.00 12.33 N ATOM 0 H LYS A 42 -8.780 5.923 -12.186 1.00 70.12 H new ATOM 0 HA LYS A 42 -7.776 7.894 -14.135 1.00 12.30 H new ATOM 0 HB2 LYS A 42 -8.650 8.358 -11.351 1.00 65.23 H new ATOM 0 HB3 LYS A 42 -7.005 8.882 -11.652 1.00 65.23 H new ATOM 0 HG2 LYS A 42 -7.720 10.713 -12.732 1.00 2.22 H new ATOM 0 HG3 LYS A 42 -8.672 9.749 -13.844 1.00 2.22 H new ATOM 0 HD2 LYS A 42 -9.637 10.384 -11.035 1.00 22.52 H new ATOM 0 HD3 LYS A 42 -9.934 11.462 -12.384 1.00 22.52 H new ATOM 0 HE2 LYS A 42 -11.689 10.210 -13.026 1.00 10.11 H new ATOM 0 HE3 LYS A 42 -10.640 8.824 -13.249 1.00 10.11 H new ATOM 0 HZ1 LYS A 42 -12.106 8.066 -11.677 1.00 12.33 H new ATOM 0 HZ2 LYS A 42 -10.854 8.629 -10.677 1.00 12.33 H new ATOM 0 HZ3 LYS A 42 -12.251 9.568 -10.898 1.00 12.33 H new ATOM 615 N SER A 43 -5.840 6.277 -13.926 1.00 4.55 N ATOM 616 CA SER A 43 -4.553 5.599 -13.821 1.00 71.21 C ATOM 617 C SER A 43 -3.958 5.347 -15.203 1.00 42.41 C ATOM 618 O SER A 43 -4.319 4.387 -15.882 1.00 14.21 O ATOM 619 CB SER A 43 -4.711 4.274 -13.072 1.00 62.15 C ATOM 620 OG SER A 43 -6.075 4.001 -12.801 1.00 5.15 O ATOM 0 H SER A 43 -6.238 6.284 -14.865 1.00 4.55 H new ATOM 0 HA SER A 43 -3.874 6.245 -13.264 1.00 71.21 H new ATOM 0 HB2 SER A 43 -4.286 3.464 -13.665 1.00 62.15 H new ATOM 0 HB3 SER A 43 -4.152 4.312 -12.137 1.00 62.15 H new ATOM 0 HG SER A 43 -6.149 3.149 -12.323 1.00 5.15 H new ATOM 626 N GLY A 44 -3.041 6.219 -15.614 1.00 14.15 N ATOM 627 CA GLY A 44 -2.410 6.075 -16.912 1.00 41.32 C ATOM 628 C GLY A 44 -3.417 6.011 -18.043 1.00 15.01 C ATOM 629 O GLY A 44 -4.419 6.728 -18.035 1.00 22.03 O ATOM 0 H GLY A 44 -2.725 7.022 -15.070 1.00 14.15 H new ATOM 0 HA2 GLY A 44 -1.734 6.914 -17.079 1.00 41.32 H new ATOM 0 HA3 GLY A 44 -1.803 5.170 -16.919 1.00 41.32 H new ATOM 633 N THR A 45 -3.153 5.151 -19.021 1.00 61.42 N ATOM 634 CA THR A 45 -4.042 4.997 -20.166 1.00 13.35 C ATOM 635 C THR A 45 -4.547 3.564 -20.281 1.00 71.44 C ATOM 636 O THR A 45 -3.858 2.620 -19.894 1.00 31.01 O ATOM 637 CB THR A 45 -3.340 5.390 -21.479 1.00 54.12 C ATOM 638 OG1 THR A 45 -2.073 4.730 -21.574 1.00 10.32 O ATOM 639 CG2 THR A 45 -3.141 6.896 -21.557 1.00 2.23 C ATOM 0 H THR A 45 -2.330 4.550 -19.043 1.00 61.42 H new ATOM 0 HA THR A 45 -4.888 5.665 -20.002 1.00 13.35 H new ATOM 0 HB THR A 45 -3.973 5.080 -22.310 1.00 54.12 H new ATOM 0 HG1 THR A 45 -1.634 4.984 -22.413 1.00 10.32 H new ATOM 0 HG21 THR A 45 -2.643 7.149 -22.493 1.00 2.23 H new ATOM 0 HG22 THR A 45 -4.110 7.394 -21.515 1.00 2.23 H new ATOM 0 HG23 THR A 45 -2.527 7.226 -20.719 1.00 2.23 H new ATOM 647 N TRP A 46 -5.752 3.407 -20.817 1.00 52.41 N ATOM 648 CA TRP A 46 -6.349 2.087 -20.984 1.00 63.05 C ATOM 649 C TRP A 46 -6.919 1.921 -22.389 1.00 13.44 C ATOM 650 O TRP A 46 -7.180 2.904 -23.083 1.00 4.55 O ATOM 651 CB TRP A 46 -7.448 1.866 -19.944 1.00 72.14 C ATOM 652 CG TRP A 46 -7.411 2.857 -18.821 1.00 23.24 C ATOM 653 CD1 TRP A 46 -6.419 3.007 -17.894 1.00 12.45 C ATOM 654 CD2 TRP A 46 -8.410 3.833 -18.505 1.00 25.31 C ATOM 655 NE1 TRP A 46 -6.742 4.018 -17.020 1.00 44.34 N ATOM 656 CE2 TRP A 46 -7.957 4.541 -17.374 1.00 51.25 C ATOM 657 CE3 TRP A 46 -9.641 4.179 -19.068 1.00 63.40 C ATOM 658 CZ2 TRP A 46 -8.694 5.572 -16.799 1.00 13.45 C ATOM 659 CZ3 TRP A 46 -10.371 5.202 -18.495 1.00 53.11 C ATOM 660 CH2 TRP A 46 -9.896 5.890 -17.370 1.00 73.24 C ATOM 0 H TRP A 46 -6.335 4.178 -21.143 1.00 52.41 H new ATOM 0 HA TRP A 46 -5.567 1.341 -20.839 1.00 63.05 H new ATOM 0 HB2 TRP A 46 -8.419 1.921 -20.435 1.00 72.14 H new ATOM 0 HB3 TRP A 46 -7.354 0.860 -19.535 1.00 72.14 H new ATOM 0 HD1 TRP A 46 -5.514 2.418 -17.854 1.00 12.45 H new ATOM 0 HE1 TRP A 46 -6.169 4.328 -16.235 1.00 44.34 H new ATOM 0 HE3 TRP A 46 -10.015 3.656 -19.936 1.00 63.40 H new ATOM 0 HZ2 TRP A 46 -8.330 6.103 -15.932 1.00 13.45 H new ATOM 0 HZ3 TRP A 46 -11.325 5.477 -18.921 1.00 53.11 H new ATOM 0 HH2 TRP A 46 -10.490 6.686 -16.946 1.00 73.24 H new ATOM 671 N ARG A 47 -7.112 0.673 -22.801 1.00 64.22 N ATOM 672 CA ARG A 47 -7.651 0.380 -24.124 1.00 22.33 C ATOM 673 C ARG A 47 -9.008 -0.309 -24.017 1.00 13.11 C ATOM 674 O ARG A 47 -9.151 -1.319 -23.328 1.00 13.04 O ATOM 675 CB ARG A 47 -6.680 -0.503 -24.910 1.00 24.14 C ATOM 676 CG ARG A 47 -5.351 0.171 -25.211 1.00 52.31 C ATOM 677 CD ARG A 47 -4.237 -0.376 -24.333 1.00 2.32 C ATOM 678 NE ARG A 47 -2.931 0.159 -24.709 1.00 61.34 N ATOM 679 CZ ARG A 47 -1.780 -0.423 -24.393 1.00 24.41 C ATOM 680 NH1 ARG A 47 -1.773 -1.553 -23.698 1.00 42.31 N ATOM 681 NH2 ARG A 47 -0.632 0.124 -24.772 1.00 23.11 N ATOM 0 H ARG A 47 -6.903 -0.152 -22.238 1.00 64.22 H new ATOM 0 HA ARG A 47 -7.782 1.324 -24.653 1.00 22.33 H new ATOM 0 HB2 ARG A 47 -6.495 -1.417 -24.345 1.00 24.14 H new ATOM 0 HB3 ARG A 47 -7.149 -0.798 -25.849 1.00 24.14 H new ATOM 0 HG2 ARG A 47 -5.095 0.021 -26.260 1.00 52.31 H new ATOM 0 HG3 ARG A 47 -5.444 1.246 -25.056 1.00 52.31 H new ATOM 0 HD2 ARG A 47 -4.443 -0.131 -23.291 1.00 2.32 H new ATOM 0 HD3 ARG A 47 -4.218 -1.463 -24.407 1.00 2.32 H new ATOM 0 HE ARG A 47 -2.901 1.027 -25.244 1.00 61.34 H new ATOM 0 HH11 ARG A 47 -2.653 -1.977 -23.405 1.00 42.31 H new ATOM 0 HH12 ARG A 47 -0.887 -1.998 -23.457 1.00 42.31 H new ATOM 0 HH21 ARG A 47 -0.633 0.993 -25.307 1.00 23.11 H new ATOM 0 HH22 ARG A 47 0.251 -0.324 -24.529 1.00 23.11 H new ATOM 695 N PHE A 48 -10.002 0.245 -24.703 1.00 74.23 N ATOM 696 CA PHE A 48 -11.349 -0.315 -24.685 1.00 1.34 C ATOM 697 C PHE A 48 -11.752 -0.809 -26.071 1.00 24.42 C ATOM 698 O PHE A 48 -11.524 -0.133 -27.074 1.00 2.32 O ATOM 699 CB PHE A 48 -12.352 0.731 -24.193 1.00 21.13 C ATOM 700 CG PHE A 48 -12.632 0.646 -22.720 1.00 34.14 C ATOM 701 CD1 PHE A 48 -13.590 -0.229 -22.233 1.00 22.44 C ATOM 702 CD2 PHE A 48 -11.938 1.441 -21.822 1.00 34.13 C ATOM 703 CE1 PHE A 48 -13.850 -0.309 -20.878 1.00 13.23 C ATOM 704 CE2 PHE A 48 -12.194 1.366 -20.466 1.00 34.55 C ATOM 705 CZ PHE A 48 -13.151 0.489 -19.993 1.00 20.41 C ATOM 0 H PHE A 48 -9.901 1.081 -25.278 1.00 74.23 H new ATOM 0 HA PHE A 48 -11.353 -1.164 -24.001 1.00 1.34 H new ATOM 0 HB2 PHE A 48 -11.971 1.726 -24.426 1.00 21.13 H new ATOM 0 HB3 PHE A 48 -13.287 0.612 -24.740 1.00 21.13 H new ATOM 0 HD1 PHE A 48 -14.140 -0.855 -22.920 1.00 22.44 H new ATOM 0 HD2 PHE A 48 -11.188 2.128 -22.186 1.00 34.13 H new ATOM 0 HE1 PHE A 48 -14.599 -0.995 -20.511 1.00 13.23 H new ATOM 0 HE2 PHE A 48 -11.647 1.992 -19.777 1.00 34.55 H new ATOM 0 HZ PHE A 48 -13.352 0.427 -18.934 1.00 20.41 H new ATOM 715 N TYR A 49 -12.351 -1.994 -26.118 1.00 64.05 N ATOM 716 CA TYR A 49 -12.783 -2.582 -27.381 1.00 4.21 C ATOM 717 C TYR A 49 -13.837 -3.659 -27.148 1.00 30.44 C ATOM 718 O TYR A 49 -13.656 -4.550 -26.318 1.00 72.11 O ATOM 719 CB TYR A 49 -11.587 -3.176 -28.127 1.00 4.12 C ATOM 720 CG TYR A 49 -10.600 -3.881 -27.224 1.00 64.22 C ATOM 721 CD1 TYR A 49 -10.803 -5.200 -26.835 1.00 54.45 C ATOM 722 CD2 TYR A 49 -9.464 -3.229 -26.759 1.00 73.33 C ATOM 723 CE1 TYR A 49 -9.905 -5.848 -26.010 1.00 61.04 C ATOM 724 CE2 TYR A 49 -8.560 -3.870 -25.935 1.00 63.21 C ATOM 725 CZ TYR A 49 -8.784 -5.179 -25.563 1.00 74.33 C ATOM 726 OH TYR A 49 -7.886 -5.821 -24.741 1.00 54.23 O ATOM 0 H TYR A 49 -12.548 -2.566 -25.297 1.00 64.05 H new ATOM 0 HA TYR A 49 -13.225 -1.792 -27.988 1.00 4.21 H new ATOM 0 HB2 TYR A 49 -11.950 -3.881 -28.875 1.00 4.12 H new ATOM 0 HB3 TYR A 49 -11.071 -2.379 -28.663 1.00 4.12 H new ATOM 0 HD1 TYR A 49 -11.678 -5.727 -27.184 1.00 54.45 H new ATOM 0 HD2 TYR A 49 -9.285 -2.204 -27.047 1.00 73.33 H new ATOM 0 HE1 TYR A 49 -10.079 -6.873 -25.716 1.00 61.04 H new ATOM 0 HE2 TYR A 49 -7.682 -3.349 -25.584 1.00 63.21 H new ATOM 0 HH TYR A 49 -7.152 -5.211 -24.518 1.00 54.23 H new ATOM 736 N GLU A 50 -14.938 -3.570 -27.887 1.00 34.42 N ATOM 737 CA GLU A 50 -16.022 -4.538 -27.761 1.00 14.54 C ATOM 738 C GLU A 50 -15.875 -5.657 -28.787 1.00 53.24 C ATOM 739 O GLU A 50 -16.696 -5.793 -29.695 1.00 33.53 O ATOM 740 CB GLU A 50 -17.376 -3.845 -27.935 1.00 21.42 C ATOM 741 CG GLU A 50 -17.927 -3.253 -26.648 1.00 62.45 C ATOM 742 CD GLU A 50 -18.185 -1.763 -26.756 1.00 1.02 C ATOM 743 OE1 GLU A 50 -18.656 -1.317 -27.823 1.00 31.23 O ATOM 744 OE2 GLU A 50 -17.915 -1.043 -25.772 1.00 15.52 O ATOM 0 H GLU A 50 -15.103 -2.839 -28.579 1.00 34.42 H new ATOM 0 HA GLU A 50 -15.971 -4.975 -26.764 1.00 14.54 H new ATOM 0 HB2 GLU A 50 -17.276 -3.052 -28.676 1.00 21.42 H new ATOM 0 HB3 GLU A 50 -18.094 -4.563 -28.331 1.00 21.42 H new ATOM 0 HG2 GLU A 50 -18.855 -3.761 -26.387 1.00 62.45 H new ATOM 0 HG3 GLU A 50 -17.223 -3.438 -25.837 1.00 62.45 H new ATOM 751 N TYR A 51 -14.824 -6.454 -28.638 1.00 24.24 N ATOM 752 CA TYR A 51 -14.566 -7.560 -29.553 1.00 12.23 C ATOM 753 C TYR A 51 -13.264 -8.271 -29.196 1.00 14.33 C ATOM 754 O TYR A 51 -12.658 -7.995 -28.160 1.00 61.41 O ATOM 755 CB TYR A 51 -14.504 -7.052 -30.994 1.00 74.23 C ATOM 756 CG TYR A 51 -15.579 -7.631 -31.887 1.00 21.02 C ATOM 757 CD1 TYR A 51 -15.832 -8.997 -31.906 1.00 54.12 C ATOM 758 CD2 TYR A 51 -16.342 -6.811 -32.710 1.00 25.51 C ATOM 759 CE1 TYR A 51 -16.813 -9.530 -32.721 1.00 4.14 C ATOM 760 CE2 TYR A 51 -17.325 -7.336 -33.526 1.00 41.45 C ATOM 761 CZ TYR A 51 -17.556 -8.695 -33.529 1.00 33.43 C ATOM 762 OH TYR A 51 -18.535 -9.222 -34.340 1.00 64.33 O ATOM 0 H TYR A 51 -14.136 -6.355 -27.892 1.00 24.24 H new ATOM 0 HA TYR A 51 -15.385 -8.273 -29.461 1.00 12.23 H new ATOM 0 HB2 TYR A 51 -14.592 -5.966 -30.991 1.00 74.23 H new ATOM 0 HB3 TYR A 51 -13.527 -7.292 -31.413 1.00 74.23 H new ATOM 0 HD1 TYR A 51 -15.253 -9.653 -31.274 1.00 54.12 H new ATOM 0 HD2 TYR A 51 -16.163 -5.746 -32.711 1.00 25.51 H new ATOM 0 HE1 TYR A 51 -16.997 -10.594 -32.725 1.00 4.14 H new ATOM 0 HE2 TYR A 51 -17.910 -6.685 -34.159 1.00 41.45 H new ATOM 0 HH TYR A 51 -18.966 -8.500 -34.844 1.00 64.33 H new ATOM 772 N ILE A 52 -12.841 -9.186 -30.061 1.00 53.21 N ATOM 773 CA ILE A 52 -11.611 -9.935 -29.839 1.00 71.40 C ATOM 774 C ILE A 52 -10.414 -9.000 -29.706 1.00 60.30 C ATOM 775 O ILE A 52 -10.515 -7.804 -29.974 1.00 73.02 O ATOM 776 CB ILE A 52 -11.345 -10.932 -30.983 1.00 30.25 C ATOM 777 CG1 ILE A 52 -11.515 -10.244 -32.338 1.00 54.13 C ATOM 778 CG2 ILE A 52 -12.277 -12.129 -30.869 1.00 71.32 C ATOM 779 CD1 ILE A 52 -11.041 -11.082 -33.505 1.00 53.21 C ATOM 0 H ILE A 52 -13.332 -9.427 -30.922 1.00 53.21 H new ATOM 0 HA ILE A 52 -11.742 -10.488 -28.909 1.00 71.40 H new ATOM 0 HB ILE A 52 -10.318 -11.288 -30.904 1.00 30.25 H new ATOM 0 HG12 ILE A 52 -12.567 -9.998 -32.482 1.00 54.13 H new ATOM 0 HG13 ILE A 52 -10.965 -9.303 -32.330 1.00 54.13 H new ATOM 0 HG21 ILE A 52 -12.077 -12.825 -31.684 1.00 71.32 H new ATOM 0 HG22 ILE A 52 -12.111 -12.630 -29.915 1.00 71.32 H new ATOM 0 HG23 ILE A 52 -13.312 -11.791 -30.926 1.00 71.32 H new ATOM 0 HD11 ILE A 52 -11.192 -10.531 -34.433 1.00 53.21 H new ATOM 0 HD12 ILE A 52 -9.981 -11.307 -33.385 1.00 53.21 H new ATOM 0 HD13 ILE A 52 -11.608 -12.012 -33.539 1.00 53.21 H new ATOM 791 N ASN A 53 -9.280 -9.555 -29.291 1.00 63.35 N ATOM 792 CA ASN A 53 -8.062 -8.771 -29.124 1.00 65.11 C ATOM 793 C ASN A 53 -7.507 -8.332 -30.476 1.00 31.11 C ATOM 794 O ASN A 53 -6.940 -7.247 -30.603 1.00 40.32 O ATOM 795 CB ASN A 53 -7.008 -9.582 -28.367 1.00 61.21 C ATOM 796 CG ASN A 53 -6.535 -8.883 -27.107 1.00 75.20 C ATOM 797 OD1 ASN A 53 -6.129 -7.722 -27.143 1.00 53.43 O ATOM 798 ND2 ASN A 53 -6.586 -9.590 -25.984 1.00 34.10 N ATOM 0 H ASN A 53 -9.179 -10.544 -29.064 1.00 63.35 H new ATOM 0 HA ASN A 53 -8.310 -7.880 -28.546 1.00 65.11 H new ATOM 0 HB2 ASN A 53 -7.422 -10.556 -28.105 1.00 61.21 H new ATOM 0 HB3 ASN A 53 -6.155 -9.763 -29.021 1.00 61.21 H new ATOM 0 HD21 ASN A 53 -6.281 -9.173 -25.105 1.00 34.10 H new ATOM 0 HD22 ASN A 53 -6.930 -10.550 -26.001 1.00 34.10 H new ATOM 805 N TYR A 54 -7.675 -9.182 -31.482 1.00 74.44 N ATOM 806 CA TYR A 54 -7.191 -8.884 -32.825 1.00 5.34 C ATOM 807 C TYR A 54 -8.344 -8.835 -33.822 1.00 42.12 C ATOM 808 O TYR A 54 -8.345 -9.551 -34.822 1.00 52.05 O ATOM 809 CB TYR A 54 -6.165 -9.931 -33.264 1.00 14.50 C ATOM 810 CG TYR A 54 -6.448 -11.316 -32.730 1.00 33.52 C ATOM 811 CD1 TYR A 54 -7.679 -11.926 -32.942 1.00 22.11 C ATOM 812 CD2 TYR A 54 -5.486 -12.016 -32.012 1.00 42.13 C ATOM 813 CE1 TYR A 54 -7.942 -13.192 -32.455 1.00 51.02 C ATOM 814 CE2 TYR A 54 -5.740 -13.283 -31.523 1.00 42.53 C ATOM 815 CZ TYR A 54 -6.969 -13.866 -31.747 1.00 74.20 C ATOM 816 OH TYR A 54 -7.227 -15.127 -31.260 1.00 62.32 O ATOM 0 H TYR A 54 -8.143 -10.084 -31.393 1.00 74.44 H new ATOM 0 HA TYR A 54 -6.714 -7.904 -32.802 1.00 5.34 H new ATOM 0 HB2 TYR A 54 -6.140 -9.969 -34.353 1.00 14.50 H new ATOM 0 HB3 TYR A 54 -5.175 -9.618 -32.933 1.00 14.50 H new ATOM 0 HD1 TYR A 54 -8.443 -11.401 -33.497 1.00 22.11 H new ATOM 0 HD2 TYR A 54 -4.523 -11.562 -31.833 1.00 42.13 H new ATOM 0 HE1 TYR A 54 -8.904 -13.651 -32.628 1.00 51.02 H new ATOM 0 HE2 TYR A 54 -4.980 -13.814 -30.968 1.00 42.53 H new ATOM 0 HH TYR A 54 -6.438 -15.462 -30.786 1.00 62.32 H new ATOM 826 N GLY A 55 -9.325 -7.983 -33.541 1.00 51.43 N ATOM 827 CA GLY A 55 -10.471 -7.854 -34.422 1.00 70.35 C ATOM 828 C GLY A 55 -11.651 -7.185 -33.746 1.00 4.32 C ATOM 829 O GLY A 55 -12.704 -7.796 -33.570 1.00 63.03 O ATOM 0 H GLY A 55 -9.347 -7.380 -32.719 1.00 51.43 H new ATOM 0 HA2 GLY A 55 -10.186 -7.277 -35.302 1.00 70.35 H new ATOM 0 HA3 GLY A 55 -10.769 -8.842 -34.772 1.00 70.35 H new ATOM 833 N GLY A 56 -11.474 -5.924 -33.363 1.00 2.33 N ATOM 834 CA GLY A 56 -12.540 -5.192 -32.704 1.00 30.21 C ATOM 835 C GLY A 56 -12.338 -3.691 -32.766 1.00 24.22 C ATOM 836 O GLY A 56 -11.345 -3.214 -33.316 1.00 60.22 O ATOM 0 H GLY A 56 -10.611 -5.396 -33.497 1.00 2.33 H new ATOM 0 HA2 GLY A 56 -13.492 -5.447 -33.169 1.00 30.21 H new ATOM 0 HA3 GLY A 56 -12.600 -5.504 -31.661 1.00 30.21 H new ATOM 840 N ARG A 57 -13.281 -2.945 -32.202 1.00 12.45 N ATOM 841 CA ARG A 57 -13.203 -1.489 -32.198 1.00 11.23 C ATOM 842 C ARG A 57 -12.246 -0.999 -31.115 1.00 11.41 C ATOM 843 O ARG A 57 -12.581 -0.999 -29.930 1.00 24.00 O ATOM 844 CB ARG A 57 -14.591 -0.883 -31.979 1.00 43.03 C ATOM 845 CG ARG A 57 -14.565 0.609 -31.689 1.00 31.34 C ATOM 846 CD ARG A 57 -15.018 0.907 -30.268 1.00 52.30 C ATOM 847 NE ARG A 57 -16.372 0.423 -30.012 1.00 51.12 N ATOM 848 CZ ARG A 57 -17.464 1.007 -30.492 1.00 14.42 C ATOM 849 NH1 ARG A 57 -17.363 2.091 -31.249 1.00 5.33 N ATOM 850 NH2 ARG A 57 -18.662 0.507 -30.215 1.00 41.30 N ATOM 0 H ARG A 57 -14.108 -3.324 -31.742 1.00 12.45 H new ATOM 0 HA ARG A 57 -12.823 -1.168 -33.168 1.00 11.23 H new ATOM 0 HB2 ARG A 57 -15.200 -1.062 -32.865 1.00 43.03 H new ATOM 0 HB3 ARG A 57 -15.076 -1.397 -31.149 1.00 43.03 H new ATOM 0 HG2 ARG A 57 -13.556 0.993 -31.839 1.00 31.34 H new ATOM 0 HG3 ARG A 57 -15.212 1.130 -32.395 1.00 31.34 H new ATOM 0 HD2 ARG A 57 -14.328 0.443 -29.563 1.00 52.30 H new ATOM 0 HD3 ARG A 57 -14.978 1.982 -30.093 1.00 52.30 H new ATOM 0 HE ARG A 57 -16.485 -0.409 -29.433 1.00 51.12 H new ATOM 0 HH11 ARG A 57 -16.445 2.479 -31.464 1.00 5.33 H new ATOM 0 HH12 ARG A 57 -18.204 2.537 -31.616 1.00 5.33 H new ATOM 0 HH21 ARG A 57 -18.745 -0.327 -29.633 1.00 41.30 H new ATOM 0 HH22 ARG A 57 -19.500 0.956 -30.584 1.00 41.30 H new ATOM 864 N TYR A 58 -11.055 -0.582 -31.530 1.00 52.20 N ATOM 865 CA TYR A 58 -10.049 -0.092 -30.596 1.00 4.21 C ATOM 866 C TYR A 58 -10.346 1.345 -30.179 1.00 11.23 C ATOM 867 O TYR A 58 -10.558 2.217 -31.022 1.00 34.42 O ATOM 868 CB TYR A 58 -8.656 -0.175 -31.224 1.00 54.50 C ATOM 869 CG TYR A 58 -7.600 0.590 -30.458 1.00 72.13 C ATOM 870 CD1 TYR A 58 -7.525 0.512 -29.073 1.00 52.12 C ATOM 871 CD2 TYR A 58 -6.677 1.389 -31.120 1.00 44.55 C ATOM 872 CE1 TYR A 58 -6.562 1.210 -28.370 1.00 34.53 C ATOM 873 CE2 TYR A 58 -5.709 2.089 -30.425 1.00 53.22 C ATOM 874 CZ TYR A 58 -5.657 1.996 -29.050 1.00 43.41 C ATOM 875 OH TYR A 58 -4.695 2.692 -28.353 1.00 71.40 O ATOM 0 H TYR A 58 -10.763 -0.574 -32.507 1.00 52.20 H new ATOM 0 HA TYR A 58 -10.078 -0.722 -29.707 1.00 4.21 H new ATOM 0 HB2 TYR A 58 -8.358 -1.221 -31.290 1.00 54.50 H new ATOM 0 HB3 TYR A 58 -8.703 0.208 -32.243 1.00 54.50 H new ATOM 0 HD1 TYR A 58 -8.231 -0.105 -28.537 1.00 52.12 H new ATOM 0 HD2 TYR A 58 -6.716 1.465 -32.197 1.00 44.55 H new ATOM 0 HE1 TYR A 58 -6.519 1.140 -27.293 1.00 34.53 H new ATOM 0 HE2 TYR A 58 -4.998 2.705 -30.955 1.00 53.22 H new ATOM 0 HH TYR A 58 -4.137 3.196 -28.981 1.00 71.40 H new ATOM 885 N TRP A 59 -10.359 1.584 -28.872 1.00 41.04 N ATOM 886 CA TRP A 59 -10.630 2.915 -28.342 1.00 5.43 C ATOM 887 C TRP A 59 -10.002 3.090 -26.963 1.00 71.30 C ATOM 888 O TRP A 59 -10.526 2.595 -25.965 1.00 74.42 O ATOM 889 CB TRP A 59 -12.138 3.159 -28.264 1.00 25.12 C ATOM 890 CG TRP A 59 -12.523 4.174 -27.231 1.00 3.22 C ATOM 891 CD1 TRP A 59 -12.093 5.468 -27.153 1.00 4.11 C ATOM 892 CD2 TRP A 59 -13.414 3.979 -26.128 1.00 32.43 C ATOM 893 NE1 TRP A 59 -12.663 6.089 -26.068 1.00 20.43 N ATOM 894 CE2 TRP A 59 -13.478 5.197 -25.423 1.00 34.30 C ATOM 895 CE3 TRP A 59 -14.166 2.894 -25.668 1.00 1.12 C ATOM 896 CZ2 TRP A 59 -14.263 5.357 -24.284 1.00 73.12 C ATOM 897 CZ3 TRP A 59 -14.944 3.055 -24.537 1.00 72.33 C ATOM 898 CH2 TRP A 59 -14.989 4.279 -23.856 1.00 61.52 C ATOM 0 H TRP A 59 -10.185 0.874 -28.161 1.00 41.04 H new ATOM 0 HA TRP A 59 -10.186 3.645 -29.018 1.00 5.43 H new ATOM 0 HB2 TRP A 59 -12.496 3.490 -29.239 1.00 25.12 H new ATOM 0 HB3 TRP A 59 -12.640 2.217 -28.042 1.00 25.12 H new ATOM 0 HD1 TRP A 59 -11.406 5.935 -27.843 1.00 4.11 H new ATOM 0 HE1 TRP A 59 -12.505 7.057 -25.788 1.00 20.43 H new ATOM 0 HE3 TRP A 59 -14.140 1.947 -26.187 1.00 1.12 H new ATOM 0 HZ2 TRP A 59 -14.298 6.299 -23.757 1.00 73.12 H new ATOM 0 HZ3 TRP A 59 -15.528 2.223 -24.172 1.00 72.33 H new ATOM 0 HH2 TRP A 59 -15.609 4.373 -22.976 1.00 61.52 H new ATOM 909 N ASP A 60 -8.878 3.796 -26.914 1.00 60.15 N ATOM 910 CA ASP A 60 -8.180 4.036 -25.657 1.00 1.41 C ATOM 911 C ASP A 60 -8.397 5.469 -25.180 1.00 43.35 C ATOM 912 O ASP A 60 -8.762 6.347 -25.964 1.00 30.21 O ATOM 913 CB ASP A 60 -6.684 3.760 -25.818 1.00 52.22 C ATOM 914 CG ASP A 60 -6.044 4.639 -26.874 1.00 42.25 C ATOM 915 OD1 ASP A 60 -6.499 4.598 -28.037 1.00 21.20 O ATOM 916 OD2 ASP A 60 -5.088 5.369 -26.539 1.00 12.25 O ATOM 0 H ASP A 60 -8.431 4.212 -27.731 1.00 60.15 H new ATOM 0 HA ASP A 60 -8.588 3.357 -24.908 1.00 1.41 H new ATOM 0 HB2 ASP A 60 -6.183 3.921 -24.863 1.00 52.22 H new ATOM 0 HB3 ASP A 60 -6.537 2.713 -26.083 1.00 52.22 H new ATOM 921 N LEU A 61 -8.171 5.699 -23.892 1.00 5.41 N ATOM 922 CA LEU A 61 -8.342 7.026 -23.310 1.00 10.11 C ATOM 923 C LEU A 61 -7.559 7.155 -22.007 1.00 70.42 C ATOM 924 O LEU A 61 -7.201 6.156 -21.385 1.00 61.51 O ATOM 925 CB LEU A 61 -9.824 7.306 -23.057 1.00 35.11 C ATOM 926 CG LEU A 61 -10.427 6.658 -21.810 1.00 24.33 C ATOM 927 CD1 LEU A 61 -10.910 7.721 -20.836 1.00 2.20 C ATOM 928 CD2 LEU A 61 -11.566 5.724 -22.191 1.00 61.12 C ATOM 0 H LEU A 61 -7.869 4.984 -23.230 1.00 5.41 H new ATOM 0 HA LEU A 61 -7.955 7.759 -24.018 1.00 10.11 H new ATOM 0 HB2 LEU A 61 -9.962 8.385 -22.984 1.00 35.11 H new ATOM 0 HB3 LEU A 61 -10.390 6.970 -23.926 1.00 35.11 H new ATOM 0 HG LEU A 61 -9.651 6.070 -21.319 1.00 24.33 H new ATOM 0 HD11 LEU A 61 -11.336 7.241 -19.955 1.00 2.20 H new ATOM 0 HD12 LEU A 61 -10.071 8.349 -20.537 1.00 2.20 H new ATOM 0 HD13 LEU A 61 -11.670 8.337 -21.317 1.00 2.20 H new ATOM 0 HD21 LEU A 61 -11.983 5.272 -21.291 1.00 61.12 H new ATOM 0 HD22 LEU A 61 -12.343 6.289 -22.706 1.00 61.12 H new ATOM 0 HD23 LEU A 61 -11.190 4.941 -22.849 1.00 61.12 H new ATOM 940 N GLY A 62 -7.298 8.393 -21.599 1.00 32.10 N ATOM 941 CA GLY A 62 -6.561 8.630 -20.371 1.00 73.44 C ATOM 942 C GLY A 62 -7.446 8.563 -19.142 1.00 62.32 C ATOM 943 O GLY A 62 -8.561 8.042 -19.181 1.00 41.21 O ATOM 0 H GLY A 62 -7.584 9.236 -22.097 1.00 32.10 H new ATOM 0 HA2 GLY A 62 -5.763 7.892 -20.281 1.00 73.44 H new ATOM 0 HA3 GLY A 62 -6.085 9.610 -20.420 1.00 73.44 H new ATOM 947 N PRO A 63 -6.946 9.098 -18.019 1.00 24.14 N ATOM 948 CA PRO A 63 -7.681 9.108 -16.751 1.00 34.12 C ATOM 949 C PRO A 63 -8.854 10.083 -16.769 1.00 4.14 C ATOM 950 O PRO A 63 -8.670 11.292 -16.630 1.00 34.32 O ATOM 951 CB PRO A 63 -6.629 9.555 -15.733 1.00 41.44 C ATOM 952 CG PRO A 63 -5.639 10.333 -16.530 1.00 2.03 C ATOM 953 CD PRO A 63 -5.623 9.735 -17.899 1.00 73.15 C ATOM 0 HA PRO A 63 -8.122 8.136 -16.528 1.00 34.12 H new ATOM 0 HB2 PRO A 63 -7.073 10.166 -14.947 1.00 41.44 H new ATOM 0 HB3 PRO A 63 -6.161 8.700 -15.246 1.00 41.44 H new ATOM 0 HG2 PRO A 63 -5.918 11.386 -16.571 1.00 2.03 H new ATOM 0 HG3 PRO A 63 -4.650 10.282 -16.074 1.00 2.03 H new ATOM 0 HD2 PRO A 63 -5.474 10.495 -18.666 1.00 73.15 H new ATOM 0 HD3 PRO A 63 -4.818 9.009 -18.009 1.00 73.15 H new ATOM 961 N GLY A 64 -10.059 9.549 -16.940 1.00 53.30 N ATOM 962 CA GLY A 64 -11.244 10.387 -16.972 1.00 43.23 C ATOM 963 C GLY A 64 -12.524 9.586 -16.850 1.00 74.40 C ATOM 964 O GLY A 64 -12.534 8.379 -17.092 1.00 1.14 O ATOM 0 H GLY A 64 -10.236 8.551 -17.057 1.00 53.30 H new ATOM 0 HA2 GLY A 64 -11.194 11.112 -16.160 1.00 43.23 H new ATOM 0 HA3 GLY A 64 -11.260 10.952 -17.904 1.00 43.23 H new ATOM 968 N GLU A 65 -13.608 10.257 -16.472 1.00 44.53 N ATOM 969 CA GLU A 65 -14.899 9.598 -16.316 1.00 2.20 C ATOM 970 C GLU A 65 -15.846 9.981 -17.449 1.00 51.43 C ATOM 971 O GLU A 65 -15.907 11.142 -17.856 1.00 72.12 O ATOM 972 CB GLU A 65 -15.524 9.965 -14.968 1.00 63.32 C ATOM 973 CG GLU A 65 -16.966 9.508 -14.822 1.00 4.52 C ATOM 974 CD GLU A 65 -17.954 10.652 -14.938 1.00 52.43 C ATOM 975 OE1 GLU A 65 -17.656 11.621 -15.669 1.00 34.15 O ATOM 976 OE2 GLU A 65 -19.025 10.580 -14.300 1.00 23.43 O ATOM 0 H GLU A 65 -13.617 11.256 -16.268 1.00 44.53 H new ATOM 0 HA GLU A 65 -14.735 8.521 -16.351 1.00 2.20 H new ATOM 0 HB2 GLU A 65 -14.929 9.523 -14.169 1.00 63.32 H new ATOM 0 HB3 GLU A 65 -15.479 11.046 -14.839 1.00 63.32 H new ATOM 0 HG2 GLU A 65 -17.187 8.763 -15.587 1.00 4.52 H new ATOM 0 HG3 GLU A 65 -17.093 9.020 -13.856 1.00 4.52 H new ATOM 983 N TYR A 66 -16.582 8.998 -17.955 1.00 14.24 N ATOM 984 CA TYR A 66 -17.525 9.231 -19.043 1.00 24.41 C ATOM 985 C TYR A 66 -18.746 8.326 -18.909 1.00 65.50 C ATOM 986 O TYR A 66 -18.703 7.305 -18.222 1.00 55.00 O ATOM 987 CB TYR A 66 -16.846 8.993 -20.393 1.00 4.32 C ATOM 988 CG TYR A 66 -17.262 7.703 -21.062 1.00 15.12 C ATOM 989 CD1 TYR A 66 -16.839 6.474 -20.571 1.00 10.31 C ATOM 990 CD2 TYR A 66 -18.081 7.713 -22.185 1.00 10.03 C ATOM 991 CE1 TYR A 66 -17.217 5.293 -21.180 1.00 1.24 C ATOM 992 CE2 TYR A 66 -18.465 6.537 -22.799 1.00 72.20 C ATOM 993 CZ TYR A 66 -18.030 5.330 -22.293 1.00 72.41 C ATOM 994 OH TYR A 66 -18.410 4.155 -22.901 1.00 50.25 O ATOM 0 H TYR A 66 -16.544 8.032 -17.629 1.00 14.24 H new ATOM 0 HA TYR A 66 -17.856 10.268 -18.987 1.00 24.41 H new ATOM 0 HB2 TYR A 66 -17.075 9.827 -21.057 1.00 4.32 H new ATOM 0 HB3 TYR A 66 -15.765 8.986 -20.250 1.00 4.32 H new ATOM 0 HD1 TYR A 66 -16.204 6.441 -19.698 1.00 10.31 H new ATOM 0 HD2 TYR A 66 -18.423 8.656 -22.584 1.00 10.03 H new ATOM 0 HE1 TYR A 66 -16.878 4.346 -20.787 1.00 1.24 H new ATOM 0 HE2 TYR A 66 -19.102 6.562 -23.671 1.00 72.20 H new ATOM 0 HH TYR A 66 -18.983 4.355 -23.671 1.00 50.25 H new ATOM 1004 N SER A 67 -19.833 8.708 -19.572 1.00 24.53 N ATOM 1005 CA SER A 67 -21.068 7.933 -19.525 1.00 45.44 C ATOM 1006 C SER A 67 -21.971 8.281 -20.704 1.00 51.15 C ATOM 1007 O SER A 67 -23.007 8.924 -20.538 1.00 54.31 O ATOM 1008 CB SER A 67 -21.805 8.189 -18.210 1.00 15.11 C ATOM 1009 OG SER A 67 -22.252 9.532 -18.128 1.00 63.40 O ATOM 0 H SER A 67 -19.884 9.549 -20.148 1.00 24.53 H new ATOM 0 HA SER A 67 -20.809 6.876 -19.588 1.00 45.44 H new ATOM 0 HB2 SER A 67 -22.657 7.514 -18.130 1.00 15.11 H new ATOM 0 HB3 SER A 67 -21.144 7.971 -17.371 1.00 15.11 H new ATOM 0 HG SER A 67 -22.737 9.766 -18.947 1.00 63.40 H new ATOM 1015 N SER A 68 -21.570 7.851 -21.896 1.00 70.34 N ATOM 1016 CA SER A 68 -22.340 8.119 -23.105 1.00 15.00 C ATOM 1017 C SER A 68 -23.524 7.163 -23.218 1.00 61.24 C ATOM 1018 O SER A 68 -23.720 6.295 -22.367 1.00 43.21 O ATOM 1019 CB SER A 68 -21.449 7.994 -24.342 1.00 22.01 C ATOM 1020 OG SER A 68 -20.402 8.948 -24.314 1.00 44.33 O ATOM 0 H SER A 68 -20.716 7.315 -22.050 1.00 70.34 H new ATOM 0 HA SER A 68 -22.722 9.138 -23.044 1.00 15.00 H new ATOM 0 HB2 SER A 68 -21.029 6.989 -24.392 1.00 22.01 H new ATOM 0 HB3 SER A 68 -22.048 8.133 -25.242 1.00 22.01 H new ATOM 0 HG SER A 68 -19.608 8.551 -23.898 1.00 44.33 H new ATOM 1026 N VAL A 69 -24.311 7.328 -24.277 1.00 10.23 N ATOM 1027 CA VAL A 69 -25.475 6.480 -24.504 1.00 10.13 C ATOM 1028 C VAL A 69 -25.909 6.522 -25.965 1.00 20.04 C ATOM 1029 O VAL A 69 -27.068 6.262 -26.285 1.00 52.11 O ATOM 1030 CB VAL A 69 -26.660 6.903 -23.615 1.00 42.53 C ATOM 1031 CG1 VAL A 69 -27.275 8.197 -24.126 1.00 40.43 C ATOM 1032 CG2 VAL A 69 -27.701 5.796 -23.554 1.00 13.45 C ATOM 0 H VAL A 69 -24.163 8.041 -24.991 1.00 10.23 H new ATOM 0 HA VAL A 69 -25.181 5.463 -24.245 1.00 10.13 H new ATOM 0 HB VAL A 69 -26.290 7.079 -22.605 1.00 42.53 H new ATOM 0 HG11 VAL A 69 -28.110 8.480 -23.486 1.00 40.43 H new ATOM 0 HG12 VAL A 69 -26.524 8.987 -24.113 1.00 40.43 H new ATOM 0 HG13 VAL A 69 -27.632 8.052 -25.146 1.00 40.43 H new ATOM 0 HG21 VAL A 69 -28.531 6.112 -22.922 1.00 13.45 H new ATOM 0 HG22 VAL A 69 -28.069 5.587 -24.558 1.00 13.45 H new ATOM 0 HG23 VAL A 69 -27.250 4.895 -23.138 1.00 13.45 H new ATOM 1042 N GLU A 70 -24.970 6.851 -26.846 1.00 63.51 N ATOM 1043 CA GLU A 70 -25.256 6.927 -28.274 1.00 31.41 C ATOM 1044 C GLU A 70 -24.034 7.411 -29.049 1.00 12.22 C ATOM 1045 O GLU A 70 -23.862 7.086 -30.223 1.00 42.15 O ATOM 1046 CB GLU A 70 -26.440 7.862 -28.530 1.00 60.51 C ATOM 1047 CG GLU A 70 -26.388 9.145 -27.719 1.00 15.23 C ATOM 1048 CD GLU A 70 -27.454 10.141 -28.134 1.00 33.24 C ATOM 1049 OE1 GLU A 70 -27.970 10.022 -29.264 1.00 73.44 O ATOM 1050 OE2 GLU A 70 -27.772 11.039 -27.327 1.00 13.35 O ATOM 0 H GLU A 70 -24.005 7.069 -26.597 1.00 63.51 H new ATOM 0 HA GLU A 70 -25.511 5.926 -28.621 1.00 31.41 H new ATOM 0 HB2 GLU A 70 -26.471 8.113 -29.590 1.00 60.51 H new ATOM 0 HB3 GLU A 70 -27.365 7.334 -28.300 1.00 60.51 H new ATOM 0 HG2 GLU A 70 -26.510 8.908 -26.662 1.00 15.23 H new ATOM 0 HG3 GLU A 70 -25.405 9.602 -27.832 1.00 15.23 H new ATOM 1057 N SER A 71 -23.189 8.191 -28.382 1.00 52.33 N ATOM 1058 CA SER A 71 -21.985 8.725 -29.009 1.00 34.03 C ATOM 1059 C SER A 71 -20.803 7.782 -28.805 1.00 13.20 C ATOM 1060 O SER A 71 -19.647 8.185 -28.923 1.00 5.00 O ATOM 1061 CB SER A 71 -21.656 10.105 -28.436 1.00 51.04 C ATOM 1062 OG SER A 71 -20.584 10.707 -29.141 1.00 72.02 O ATOM 0 H SER A 71 -23.316 8.467 -27.408 1.00 52.33 H new ATOM 0 HA SER A 71 -22.172 8.819 -30.079 1.00 34.03 H new ATOM 0 HB2 SER A 71 -22.537 10.745 -28.491 1.00 51.04 H new ATOM 0 HB3 SER A 71 -21.395 10.012 -27.382 1.00 51.04 H new ATOM 0 HG SER A 71 -19.887 10.039 -29.308 1.00 72.02 H new ATOM 1068 N ALA A 72 -21.104 6.524 -28.498 1.00 42.52 N ATOM 1069 CA ALA A 72 -20.067 5.523 -28.280 1.00 35.03 C ATOM 1070 C ALA A 72 -20.411 4.215 -28.985 1.00 4.12 C ATOM 1071 O ALA A 72 -19.906 3.153 -28.624 1.00 23.11 O ATOM 1072 CB ALA A 72 -19.869 5.285 -26.790 1.00 42.41 C ATOM 0 H ALA A 72 -22.057 6.174 -28.395 1.00 42.52 H new ATOM 0 HA ALA A 72 -19.136 5.901 -28.704 1.00 35.03 H new ATOM 0 HB1 ALA A 72 -19.092 4.535 -26.641 1.00 42.41 H new ATOM 0 HB2 ALA A 72 -19.571 6.217 -26.309 1.00 42.41 H new ATOM 0 HB3 ALA A 72 -20.802 4.932 -26.351 1.00 42.41 H new ATOM 1078 N GLY A 73 -21.274 4.300 -29.993 1.00 3.12 N ATOM 1079 CA GLY A 73 -21.670 3.116 -30.732 1.00 30.32 C ATOM 1080 C GLY A 73 -22.477 2.149 -29.888 1.00 60.11 C ATOM 1081 O GLY A 73 -22.177 1.942 -28.712 1.00 31.11 O ATOM 0 H GLY A 73 -21.706 5.168 -30.311 1.00 3.12 H new ATOM 0 HA2 GLY A 73 -22.258 3.413 -31.601 1.00 30.32 H new ATOM 0 HA3 GLY A 73 -20.780 2.611 -31.107 1.00 30.32 H new ATOM 1085 N ILE A 74 -23.504 1.557 -30.488 1.00 41.05 N ATOM 1086 CA ILE A 74 -24.356 0.608 -29.784 1.00 34.32 C ATOM 1087 C ILE A 74 -24.641 -0.619 -30.644 1.00 14.11 C ATOM 1088 O ILE A 74 -25.780 -0.890 -31.025 1.00 54.51 O ATOM 1089 CB ILE A 74 -25.693 1.251 -29.369 1.00 4.34 C ATOM 1090 CG1 ILE A 74 -25.445 2.599 -28.687 1.00 63.34 C ATOM 1091 CG2 ILE A 74 -26.465 0.320 -28.447 1.00 33.22 C ATOM 1092 CD1 ILE A 74 -24.688 2.486 -27.382 1.00 74.03 C ATOM 0 H ILE A 74 -23.766 1.718 -31.461 1.00 41.05 H new ATOM 0 HA ILE A 74 -23.815 0.303 -28.888 1.00 34.32 H new ATOM 0 HB ILE A 74 -26.291 1.422 -30.264 1.00 4.34 H new ATOM 0 HG12 ILE A 74 -24.887 3.244 -29.366 1.00 63.34 H new ATOM 0 HG13 ILE A 74 -26.403 3.085 -28.501 1.00 63.34 H new ATOM 0 HG21 ILE A 74 -27.407 0.789 -28.163 1.00 33.22 H new ATOM 0 HG22 ILE A 74 -26.668 -0.618 -28.964 1.00 33.22 H new ATOM 0 HG23 ILE A 74 -25.874 0.121 -27.553 1.00 33.22 H new ATOM 0 HD11 ILE A 74 -24.548 3.479 -26.955 1.00 74.03 H new ATOM 0 HD12 ILE A 74 -25.254 1.868 -26.685 1.00 74.03 H new ATOM 0 HD13 ILE A 74 -23.715 2.029 -27.564 1.00 74.03 H new ATOM 1104 N PRO A 75 -23.583 -1.381 -30.957 1.00 20.15 N ATOM 1105 CA PRO A 75 -23.694 -2.593 -31.773 1.00 72.51 C ATOM 1106 C PRO A 75 -23.929 -3.841 -30.929 1.00 21.51 C ATOM 1107 O PRO A 75 -24.969 -4.490 -31.039 1.00 73.31 O ATOM 1108 CB PRO A 75 -22.338 -2.672 -32.478 1.00 24.00 C ATOM 1109 CG PRO A 75 -21.714 -1.339 -32.249 1.00 10.40 C ATOM 1110 CD PRO A 75 -22.196 -1.119 -30.536 1.00 53.55 C ATOM 0 HA PRO A 75 -24.543 -2.548 -32.456 1.00 72.51 H new ATOM 0 HB2 PRO A 75 -21.724 -3.473 -32.066 1.00 24.00 H new ATOM 0 HB3 PRO A 75 -22.456 -2.876 -33.542 1.00 24.00 H new ATOM 0 HG2 PRO A 75 -20.633 -1.347 -32.388 1.00 10.40 H new ATOM 0 HG3 PRO A 75 -22.114 -0.565 -32.905 1.00 10.40 H new ATOM 0 HD2 PRO A 75 -21.776 -1.840 -29.835 1.00 53.55 H new ATOM 0 HD3 PRO A 75 -22.012 -0.128 -30.122 1.00 53.55 H new ATOM 1118 N ASP A 76 -22.956 -4.172 -30.086 1.00 53.44 N ATOM 1119 CA ASP A 76 -23.058 -5.342 -29.222 1.00 0.41 C ATOM 1120 C ASP A 76 -21.878 -5.408 -28.257 1.00 72.50 C ATOM 1121 O ASP A 76 -20.726 -5.251 -28.658 1.00 71.03 O ATOM 1122 CB ASP A 76 -23.119 -6.619 -30.061 1.00 53.33 C ATOM 1123 CG ASP A 76 -22.058 -6.652 -31.144 1.00 11.35 C ATOM 1124 OD1 ASP A 76 -20.930 -7.103 -30.855 1.00 35.35 O ATOM 1125 OD2 ASP A 76 -22.355 -6.225 -32.279 1.00 60.13 O ATOM 0 H ASP A 76 -22.088 -3.646 -29.983 1.00 53.44 H new ATOM 0 HA ASP A 76 -23.976 -5.255 -28.641 1.00 0.41 H new ATOM 0 HB2 ASP A 76 -22.996 -7.484 -29.410 1.00 53.33 H new ATOM 0 HB3 ASP A 76 -24.104 -6.702 -30.519 1.00 53.33 H new ATOM 1130 N ASN A 77 -22.175 -5.642 -26.983 1.00 31.03 N ATOM 1131 CA ASN A 77 -21.139 -5.728 -25.960 1.00 1.10 C ATOM 1132 C ASN A 77 -20.649 -7.164 -25.801 1.00 71.11 C ATOM 1133 O ASN A 77 -20.404 -7.628 -24.687 1.00 42.45 O ATOM 1134 CB ASN A 77 -21.669 -5.207 -24.622 1.00 61.25 C ATOM 1135 CG ASN A 77 -20.654 -4.347 -23.894 1.00 33.42 C ATOM 1136 OD1 ASN A 77 -20.871 -3.154 -23.685 1.00 14.31 O ATOM 1137 ND2 ASN A 77 -19.538 -4.952 -23.503 1.00 74.12 N ATOM 0 H ASN A 77 -23.124 -5.775 -26.634 1.00 31.03 H new ATOM 0 HA ASN A 77 -20.299 -5.109 -26.276 1.00 1.10 H new ATOM 0 HB2 ASN A 77 -22.576 -4.627 -24.794 1.00 61.25 H new ATOM 0 HB3 ASN A 77 -21.946 -6.051 -23.990 1.00 61.25 H new ATOM 0 HD21 ASN A 77 -18.819 -4.425 -23.008 1.00 74.12 H new ATOM 0 HD22 ASN A 77 -19.400 -5.944 -23.698 1.00 74.12 H new ATOM 1144 N SER A 78 -20.509 -7.863 -26.923 1.00 24.11 N ATOM 1145 CA SER A 78 -20.051 -9.248 -26.909 1.00 11.44 C ATOM 1146 C SER A 78 -18.538 -9.322 -27.091 1.00 52.24 C ATOM 1147 O SER A 78 -17.945 -8.498 -27.788 1.00 53.42 O ATOM 1148 CB SER A 78 -20.749 -10.049 -28.009 1.00 51.12 C ATOM 1149 OG SER A 78 -20.292 -11.390 -28.031 1.00 71.24 O ATOM 0 H SER A 78 -20.706 -7.493 -27.853 1.00 24.11 H new ATOM 0 HA SER A 78 -20.304 -9.679 -25.940 1.00 11.44 H new ATOM 0 HB2 SER A 78 -21.827 -10.031 -27.848 1.00 51.12 H new ATOM 0 HB3 SER A 78 -20.564 -9.582 -28.976 1.00 51.12 H new ATOM 0 HG SER A 78 -20.754 -11.882 -28.742 1.00 71.24 H new ATOM 1155 N ILE A 79 -17.920 -10.315 -26.461 1.00 15.34 N ATOM 1156 CA ILE A 79 -16.477 -10.498 -26.554 1.00 14.31 C ATOM 1157 C ILE A 79 -15.739 -9.192 -26.282 1.00 41.41 C ATOM 1158 O ILE A 79 -14.699 -8.918 -26.882 1.00 13.02 O ATOM 1159 CB ILE A 79 -16.066 -11.028 -27.940 1.00 22.41 C ATOM 1160 CG1 ILE A 79 -17.064 -12.082 -28.424 1.00 12.11 C ATOM 1161 CG2 ILE A 79 -14.660 -11.607 -27.889 1.00 64.02 C ATOM 1162 CD1 ILE A 79 -17.190 -13.268 -27.493 1.00 50.23 C ATOM 0 H ILE A 79 -18.396 -11.005 -25.880 1.00 15.34 H new ATOM 0 HA ILE A 79 -16.202 -11.232 -25.797 1.00 14.31 H new ATOM 0 HB ILE A 79 -16.072 -10.198 -28.647 1.00 22.41 H new ATOM 0 HG12 ILE A 79 -18.043 -11.617 -28.541 1.00 12.11 H new ATOM 0 HG13 ILE A 79 -16.758 -12.435 -29.409 1.00 12.11 H new ATOM 0 HG21 ILE A 79 -14.383 -11.978 -28.876 1.00 64.02 H new ATOM 0 HG22 ILE A 79 -13.958 -10.831 -27.583 1.00 64.02 H new ATOM 0 HG23 ILE A 79 -14.630 -12.427 -27.172 1.00 64.02 H new ATOM 0 HD11 ILE A 79 -17.914 -13.974 -27.899 1.00 50.23 H new ATOM 0 HD12 ILE A 79 -16.221 -13.758 -27.395 1.00 50.23 H new ATOM 0 HD13 ILE A 79 -17.526 -12.928 -26.513 1.00 50.23 H new ATOM 1174 N SER A 80 -16.282 -8.389 -25.373 1.00 14.13 N ATOM 1175 CA SER A 80 -15.676 -7.110 -25.022 1.00 53.21 C ATOM 1176 C SER A 80 -14.553 -7.301 -24.008 1.00 65.00 C ATOM 1177 O SER A 80 -14.608 -8.196 -23.165 1.00 21.20 O ATOM 1178 CB SER A 80 -16.733 -6.159 -24.456 1.00 42.13 C ATOM 1179 OG SER A 80 -17.807 -5.992 -25.365 1.00 14.22 O ATOM 0 H SER A 80 -17.141 -8.602 -24.866 1.00 14.13 H new ATOM 0 HA SER A 80 -15.254 -6.675 -25.928 1.00 53.21 H new ATOM 0 HB2 SER A 80 -17.110 -6.550 -23.511 1.00 42.13 H new ATOM 0 HB3 SER A 80 -16.279 -5.191 -24.242 1.00 42.13 H new ATOM 0 HG SER A 80 -17.558 -6.364 -26.237 1.00 14.22 H new ATOM 1185 N SER A 81 -13.533 -6.453 -24.097 1.00 51.30 N ATOM 1186 CA SER A 81 -12.393 -6.529 -23.191 1.00 35.55 C ATOM 1187 C SER A 81 -11.634 -5.207 -23.160 1.00 2.33 C ATOM 1188 O SER A 81 -11.621 -4.462 -24.140 1.00 64.11 O ATOM 1189 CB SER A 81 -11.454 -7.660 -23.613 1.00 61.43 C ATOM 1190 OG SER A 81 -11.348 -8.642 -22.597 1.00 73.41 O ATOM 0 H SER A 81 -13.473 -5.705 -24.788 1.00 51.30 H new ATOM 0 HA SER A 81 -12.770 -6.734 -22.189 1.00 35.55 H new ATOM 0 HB2 SER A 81 -11.823 -8.120 -24.530 1.00 61.43 H new ATOM 0 HB3 SER A 81 -10.467 -7.254 -23.835 1.00 61.43 H new ATOM 0 HG SER A 81 -10.744 -9.355 -22.892 1.00 73.41 H new ATOM 1196 N PHE A 82 -11.002 -4.921 -22.026 1.00 41.11 N ATOM 1197 CA PHE A 82 -10.240 -3.688 -21.865 1.00 53.23 C ATOM 1198 C PHE A 82 -9.113 -3.873 -20.853 1.00 52.34 C ATOM 1199 O PHE A 82 -9.265 -4.587 -19.863 1.00 33.44 O ATOM 1200 CB PHE A 82 -11.160 -2.550 -21.419 1.00 13.33 C ATOM 1201 CG PHE A 82 -11.474 -2.574 -19.950 1.00 54.01 C ATOM 1202 CD1 PHE A 82 -12.289 -3.561 -19.419 1.00 11.22 C ATOM 1203 CD2 PHE A 82 -10.955 -1.610 -19.101 1.00 24.50 C ATOM 1204 CE1 PHE A 82 -12.580 -3.585 -18.068 1.00 13.10 C ATOM 1205 CE2 PHE A 82 -11.242 -1.630 -17.749 1.00 40.31 C ATOM 1206 CZ PHE A 82 -12.055 -2.619 -17.232 1.00 11.01 C ATOM 0 H PHE A 82 -11.003 -5.526 -21.205 1.00 41.11 H new ATOM 0 HA PHE A 82 -9.800 -3.434 -22.829 1.00 53.23 H new ATOM 0 HB2 PHE A 82 -10.693 -1.597 -21.667 1.00 13.33 H new ATOM 0 HB3 PHE A 82 -12.091 -2.604 -21.983 1.00 13.33 H new ATOM 0 HD1 PHE A 82 -12.701 -4.320 -20.068 1.00 11.22 H new ATOM 0 HD2 PHE A 82 -10.319 -0.834 -19.500 1.00 24.50 H new ATOM 0 HE1 PHE A 82 -13.218 -4.359 -17.666 1.00 13.10 H new ATOM 0 HE2 PHE A 82 -10.831 -0.873 -17.098 1.00 40.31 H new ATOM 0 HZ PHE A 82 -12.280 -2.637 -16.176 1.00 11.01 H new ATOM 1216 N ARG A 83 -7.982 -3.224 -21.111 1.00 54.31 N ATOM 1217 CA ARG A 83 -6.829 -3.317 -20.225 1.00 22.43 C ATOM 1218 C ARG A 83 -6.317 -1.930 -19.849 1.00 54.44 C ATOM 1219 O ARG A 83 -6.365 -1.002 -20.656 1.00 44.34 O ATOM 1220 CB ARG A 83 -5.711 -4.122 -20.891 1.00 1.41 C ATOM 1221 CG ARG A 83 -6.072 -5.577 -21.138 1.00 62.20 C ATOM 1222 CD ARG A 83 -5.933 -6.408 -19.872 1.00 64.32 C ATOM 1223 NE ARG A 83 -5.310 -7.703 -20.133 1.00 74.54 N ATOM 1224 CZ ARG A 83 -5.018 -8.584 -19.182 1.00 54.34 C ATOM 1225 NH1 ARG A 83 -5.291 -8.309 -17.914 1.00 73.42 N ATOM 1226 NH2 ARG A 83 -4.453 -9.741 -19.499 1.00 62.42 N ATOM 0 H ARG A 83 -7.840 -2.628 -21.927 1.00 54.31 H new ATOM 0 HA ARG A 83 -7.143 -3.828 -19.315 1.00 22.43 H new ATOM 0 HB2 ARG A 83 -5.454 -3.654 -21.841 1.00 1.41 H new ATOM 0 HB3 ARG A 83 -4.821 -4.079 -20.264 1.00 1.41 H new ATOM 0 HG2 ARG A 83 -7.096 -5.642 -21.506 1.00 62.20 H new ATOM 0 HG3 ARG A 83 -5.427 -5.986 -21.916 1.00 62.20 H new ATOM 0 HD2 ARG A 83 -5.337 -5.860 -19.142 1.00 64.32 H new ATOM 0 HD3 ARG A 83 -6.917 -6.562 -19.429 1.00 64.32 H new ATOM 0 HE ARG A 83 -5.087 -7.944 -21.099 1.00 74.54 H new ATOM 0 HH11 ARG A 83 -5.726 -7.420 -17.667 1.00 73.42 H new ATOM 0 HH12 ARG A 83 -5.066 -8.986 -17.185 1.00 73.42 H new ATOM 0 HH21 ARG A 83 -4.242 -9.955 -20.474 1.00 62.42 H new ATOM 0 HH22 ARG A 83 -4.229 -10.416 -18.768 1.00 62.42 H new ATOM 1240 N GLN A 84 -5.830 -1.797 -18.620 1.00 11.40 N ATOM 1241 CA GLN A 84 -5.311 -0.522 -18.138 1.00 55.11 C ATOM 1242 C GLN A 84 -3.788 -0.547 -18.063 1.00 34.31 C ATOM 1243 O GLN A 84 -3.181 -1.612 -17.947 1.00 21.10 O ATOM 1244 CB GLN A 84 -5.896 -0.196 -16.763 1.00 35.53 C ATOM 1245 CG GLN A 84 -7.410 -0.327 -16.699 1.00 23.33 C ATOM 1246 CD GLN A 84 -7.857 -1.576 -15.965 1.00 61.31 C ATOM 1247 OE1 GLN A 84 -7.612 -1.728 -14.768 1.00 30.40 O ATOM 1248 NE2 GLN A 84 -8.517 -2.479 -16.681 1.00 31.21 N ATOM 0 H GLN A 84 -5.784 -2.556 -17.940 1.00 11.40 H new ATOM 0 HA GLN A 84 -5.609 0.253 -18.845 1.00 55.11 H new ATOM 0 HB2 GLN A 84 -5.451 -0.859 -16.021 1.00 35.53 H new ATOM 0 HB3 GLN A 84 -5.616 0.821 -16.490 1.00 35.53 H new ATOM 0 HG2 GLN A 84 -7.826 0.550 -16.203 1.00 23.33 H new ATOM 0 HG3 GLN A 84 -7.813 -0.342 -17.712 1.00 23.33 H new ATOM 0 HE21 GLN A 84 -8.698 -2.312 -17.671 1.00 31.21 H new ATOM 0 HE22 GLN A 84 -8.843 -3.340 -16.241 1.00 31.21 H new ATOM 1257 N ILE A 85 -3.178 0.631 -18.130 1.00 30.10 N ATOM 1258 CA ILE A 85 -1.726 0.743 -18.069 1.00 10.03 C ATOM 1259 C ILE A 85 -1.295 1.700 -16.963 1.00 2.41 C ATOM 1260 O ILE A 85 -1.428 2.912 -17.129 1.00 64.21 O ATOM 1261 CB ILE A 85 -1.142 1.228 -19.409 1.00 22.13 C ATOM 1262 CG1 ILE A 85 -1.769 0.457 -20.572 1.00 62.01 C ATOM 1263 CG2 ILE A 85 0.371 1.069 -19.415 1.00 63.02 C ATOM 1264 CD1 ILE A 85 -1.591 -1.042 -20.470 1.00 11.34 C ATOM 0 H ILE A 85 -3.666 1.521 -18.227 1.00 30.10 H new ATOM 0 HA ILE A 85 -1.341 -0.254 -17.854 1.00 10.03 H new ATOM 0 HB ILE A 85 -1.377 2.285 -19.530 1.00 22.13 H new ATOM 0 HG12 ILE A 85 -2.834 0.686 -20.617 1.00 62.01 H new ATOM 0 HG13 ILE A 85 -1.329 0.804 -21.507 1.00 62.01 H new ATOM 0 HG21 ILE A 85 0.770 1.416 -20.368 1.00 63.02 H new ATOM 0 HG22 ILE A 85 0.802 1.658 -18.606 1.00 63.02 H new ATOM 0 HG23 ILE A 85 0.627 0.019 -19.275 1.00 63.02 H new ATOM 0 HD11 ILE A 85 -2.060 -1.523 -21.328 1.00 11.34 H new ATOM 0 HD12 ILE A 85 -0.528 -1.282 -20.456 1.00 11.34 H new ATOM 0 HD13 ILE A 85 -2.056 -1.402 -19.552 1.00 11.34 H new