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 35 LYS NZ :NH3+ -165:sc= 0.806 (180deg=0) USER MOD Set 1.2: A 37 SER OG : rot 136:sc= 0.849 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 HIS : no HD1:sc=-0.00183 X(o=-0.0018,f=-0.0034) USER MOD Single : A 13 ASN : amide:sc= -0.0654 X(o=-0.065,f=-0.086) USER MOD Single : A 17 LYS NZ :NH3+ 151:sc= -0.679 (180deg=-2.57!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 32:sc= 0.384 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 57:sc= 0.213 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= -0.12 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 30:sc= -0.0827 USER MOD Single : A 67 SER OG : rot 180:sc= -0.51 USER MOD Single : A 68 SER OG : rot 105:sc= 0.959 USER MOD Single : A 71 SER OG : rot 63:sc= 0.0561 USER MOD Single : A 77 ASN : amide:sc= -1.05 K(o=-1,f=-5.1!) USER MOD Single : A 78 SER OG : rot 180:sc= -0.0108 USER MOD Single : A 80 SER OG : rot 170:sc= 0.0114 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 52 N GLU A 5 7.624 -8.318 -7.601 1.00 65.14 N ATOM 53 CA GLU A 5 7.438 -9.561 -8.340 1.00 64.51 C ATOM 54 C GLU A 5 8.186 -10.710 -7.669 1.00 70.11 C ATOM 55 O GLU A 5 9.382 -10.900 -7.890 1.00 22.13 O ATOM 56 CB GLU A 5 7.919 -9.400 -9.784 1.00 1.23 C ATOM 57 CG GLU A 5 7.168 -10.271 -10.777 1.00 22.15 C ATOM 58 CD GLU A 5 6.288 -9.465 -11.712 1.00 1.55 C ATOM 59 OE1 GLU A 5 6.839 -8.743 -12.569 1.00 4.32 O ATOM 60 OE2 GLU A 5 5.049 -9.555 -11.586 1.00 41.41 O ATOM 0 HA GLU A 5 6.373 -9.795 -8.343 1.00 64.51 H new ATOM 0 HB2 GLU A 5 7.815 -8.356 -10.078 1.00 1.23 H new ATOM 0 HB3 GLU A 5 8.981 -9.641 -9.833 1.00 1.23 H new ATOM 0 HG2 GLU A 5 7.884 -10.846 -11.364 1.00 22.15 H new ATOM 0 HG3 GLU A 5 6.553 -10.988 -10.233 1.00 22.15 H new ATOM 67 N VAL A 6 7.472 -11.474 -6.848 1.00 10.41 N ATOM 68 CA VAL A 6 8.066 -12.604 -6.144 1.00 43.05 C ATOM 69 C VAL A 6 7.409 -13.916 -6.558 1.00 41.13 C ATOM 70 O VAL A 6 6.209 -14.109 -6.363 1.00 53.12 O ATOM 71 CB VAL A 6 7.946 -12.441 -4.618 1.00 34.24 C ATOM 72 CG1 VAL A 6 8.515 -13.658 -3.904 1.00 52.01 C ATOM 73 CG2 VAL A 6 8.645 -11.170 -4.161 1.00 15.41 C ATOM 0 H VAL A 6 6.481 -11.331 -6.654 1.00 10.41 H new ATOM 0 HA VAL A 6 9.121 -12.628 -6.417 1.00 43.05 H new ATOM 0 HB VAL A 6 6.890 -12.360 -4.361 1.00 34.24 H new ATOM 0 HG11 VAL A 6 8.421 -13.524 -2.826 1.00 52.01 H new ATOM 0 HG12 VAL A 6 7.965 -14.549 -4.208 1.00 52.01 H new ATOM 0 HG13 VAL A 6 9.567 -13.774 -4.165 1.00 52.01 H new ATOM 0 HG21 VAL A 6 8.550 -11.071 -3.080 1.00 15.41 H new ATOM 0 HG22 VAL A 6 9.700 -11.218 -4.430 1.00 15.41 H new ATOM 0 HG23 VAL A 6 8.186 -10.308 -4.646 1.00 15.41 H new ATOM 83 N ILE A 7 8.204 -14.815 -7.130 1.00 15.41 N ATOM 84 CA ILE A 7 7.699 -16.109 -7.570 1.00 30.43 C ATOM 85 C ILE A 7 8.659 -17.231 -7.190 1.00 22.52 C ATOM 86 O ILE A 7 9.797 -17.275 -7.659 1.00 34.34 O ATOM 87 CB ILE A 7 7.472 -16.137 -9.093 1.00 33.23 C ATOM 88 CG1 ILE A 7 7.067 -17.542 -9.544 1.00 50.04 C ATOM 89 CG2 ILE A 7 8.725 -15.680 -9.824 1.00 23.53 C ATOM 90 CD1 ILE A 7 5.831 -18.068 -8.848 1.00 42.25 C ATOM 0 H ILE A 7 9.199 -14.671 -7.299 1.00 15.41 H new ATOM 0 HA ILE A 7 6.745 -16.263 -7.066 1.00 30.43 H new ATOM 0 HB ILE A 7 6.662 -15.450 -9.338 1.00 33.23 H new ATOM 0 HG12 ILE A 7 6.892 -17.533 -10.620 1.00 50.04 H new ATOM 0 HG13 ILE A 7 7.896 -18.226 -9.362 1.00 50.04 H new ATOM 0 HG21 ILE A 7 8.549 -15.705 -10.899 1.00 23.53 H new ATOM 0 HG22 ILE A 7 8.973 -14.663 -9.521 1.00 23.53 H new ATOM 0 HG23 ILE A 7 9.553 -16.344 -9.576 1.00 23.53 H new ATOM 0 HD11 ILE A 7 5.603 -19.068 -9.217 1.00 42.25 H new ATOM 0 HD12 ILE A 7 6.009 -18.110 -7.773 1.00 42.25 H new ATOM 0 HD13 ILE A 7 4.989 -17.406 -9.051 1.00 42.25 H new ATOM 102 N VAL A 8 8.193 -18.139 -6.338 1.00 73.20 N ATOM 103 CA VAL A 8 9.009 -19.264 -5.897 1.00 34.12 C ATOM 104 C VAL A 8 8.230 -20.572 -5.976 1.00 33.32 C ATOM 105 O VAL A 8 6.999 -20.573 -6.017 1.00 1.32 O ATOM 106 CB VAL A 8 9.508 -19.063 -4.454 1.00 22.22 C ATOM 107 CG1 VAL A 8 9.998 -17.637 -4.252 1.00 34.23 C ATOM 108 CG2 VAL A 8 8.410 -19.405 -3.458 1.00 23.01 C ATOM 0 H VAL A 8 7.254 -18.117 -5.939 1.00 73.20 H new ATOM 0 HA VAL A 8 9.867 -19.315 -6.567 1.00 34.12 H new ATOM 0 HB VAL A 8 10.347 -19.737 -4.281 1.00 22.22 H new ATOM 0 HG11 VAL A 8 10.347 -17.514 -3.227 1.00 34.23 H new ATOM 0 HG12 VAL A 8 10.818 -17.433 -4.941 1.00 34.23 H new ATOM 0 HG13 VAL A 8 9.181 -16.941 -4.444 1.00 34.23 H new ATOM 0 HG21 VAL A 8 8.780 -19.257 -2.443 1.00 23.01 H new ATOM 0 HG22 VAL A 8 7.550 -18.758 -3.628 1.00 23.01 H new ATOM 0 HG23 VAL A 8 8.112 -20.446 -3.588 1.00 23.01 H new ATOM 118 N TYR A 9 8.954 -21.685 -5.996 1.00 63.34 N ATOM 119 CA TYR A 9 8.332 -23.001 -6.072 1.00 75.54 C ATOM 120 C TYR A 9 8.559 -23.787 -4.784 1.00 61.04 C ATOM 121 O TYR A 9 9.636 -23.728 -4.191 1.00 74.24 O ATOM 122 CB TYR A 9 8.886 -23.783 -7.264 1.00 61.24 C ATOM 123 CG TYR A 9 8.340 -23.323 -8.597 1.00 43.12 C ATOM 124 CD1 TYR A 9 8.489 -22.005 -9.013 1.00 73.30 C ATOM 125 CD2 TYR A 9 7.676 -24.205 -9.440 1.00 55.21 C ATOM 126 CE1 TYR A 9 7.991 -21.580 -10.230 1.00 0.14 C ATOM 127 CE2 TYR A 9 7.176 -23.789 -10.659 1.00 0.41 C ATOM 128 CZ TYR A 9 7.336 -22.475 -11.049 1.00 60.31 C ATOM 129 OH TYR A 9 6.839 -22.056 -12.262 1.00 34.52 O ATOM 0 H TYR A 9 9.973 -21.702 -5.961 1.00 63.34 H new ATOM 0 HA TYR A 9 7.259 -22.860 -6.206 1.00 75.54 H new ATOM 0 HB2 TYR A 9 9.972 -23.691 -7.275 1.00 61.24 H new ATOM 0 HB3 TYR A 9 8.657 -24.840 -7.132 1.00 61.24 H new ATOM 0 HD1 TYR A 9 9.003 -21.301 -8.374 1.00 73.30 H new ATOM 0 HD2 TYR A 9 7.548 -25.234 -9.137 1.00 55.21 H new ATOM 0 HE1 TYR A 9 8.114 -20.552 -10.538 1.00 0.14 H new ATOM 0 HE2 TYR A 9 6.663 -24.488 -11.303 1.00 0.41 H new ATOM 0 HH TYR A 9 6.407 -22.809 -12.716 1.00 34.52 H new ATOM 139 N GLU A 10 7.537 -24.522 -4.359 1.00 35.30 N ATOM 140 CA GLU A 10 7.624 -25.320 -3.141 1.00 44.14 C ATOM 141 C GLU A 10 8.007 -26.762 -3.462 1.00 4.20 C ATOM 142 O GLU A 10 7.524 -27.700 -2.828 1.00 74.20 O ATOM 143 CB GLU A 10 6.293 -25.290 -2.388 1.00 51.32 C ATOM 144 CG GLU A 10 6.391 -25.795 -0.959 1.00 34.14 C ATOM 145 CD GLU A 10 5.729 -24.862 0.037 1.00 74.04 C ATOM 146 OE1 GLU A 10 6.262 -23.754 0.256 1.00 62.31 O ATOM 147 OE2 GLU A 10 4.678 -25.239 0.596 1.00 71.00 O ATOM 0 H GLU A 10 6.639 -24.582 -4.839 1.00 35.30 H new ATOM 0 HA GLU A 10 8.400 -24.888 -2.509 1.00 44.14 H new ATOM 0 HB2 GLU A 10 5.914 -24.268 -2.378 1.00 51.32 H new ATOM 0 HB3 GLU A 10 5.565 -25.895 -2.929 1.00 51.32 H new ATOM 0 HG2 GLU A 10 5.927 -26.779 -0.893 1.00 34.14 H new ATOM 0 HG3 GLU A 10 7.441 -25.919 -0.693 1.00 34.14 H new ATOM 154 N HIS A 11 8.879 -26.930 -4.451 1.00 64.41 N ATOM 155 CA HIS A 11 9.328 -28.258 -4.857 1.00 1.33 C ATOM 156 C HIS A 11 10.239 -28.174 -6.078 1.00 3.54 C ATOM 157 O HIS A 11 10.663 -27.088 -6.475 1.00 72.24 O ATOM 158 CB HIS A 11 8.128 -29.154 -5.163 1.00 15.43 C ATOM 159 CG HIS A 11 8.046 -30.366 -4.287 1.00 1.23 C ATOM 160 ND1 HIS A 11 6.948 -30.658 -3.506 1.00 54.31 N ATOM 161 CD2 HIS A 11 8.934 -31.364 -4.072 1.00 64.21 C ATOM 162 CE1 HIS A 11 7.164 -31.782 -2.848 1.00 24.42 C ATOM 163 NE2 HIS A 11 8.363 -32.232 -3.174 1.00 11.41 N ATOM 0 H HIS A 11 9.289 -26.164 -4.986 1.00 64.41 H new ATOM 0 HA HIS A 11 9.894 -28.691 -4.032 1.00 1.33 H new ATOM 0 HB2 HIS A 11 7.213 -28.572 -5.051 1.00 15.43 H new ATOM 0 HB3 HIS A 11 8.178 -29.471 -6.205 1.00 15.43 H new ATOM 0 HD2 HIS A 11 9.911 -31.460 -4.523 1.00 64.21 H new ATOM 0 HE1 HIS A 11 6.478 -32.254 -2.160 1.00 24.42 H new ATOM 0 HE2 HIS A 11 8.794 -33.085 -2.817 1.00 11.41 H new ATOM 171 N VAL A 12 10.538 -29.327 -6.668 1.00 11.42 N ATOM 172 CA VAL A 12 11.398 -29.383 -7.843 1.00 65.34 C ATOM 173 C VAL A 12 10.765 -28.656 -9.024 1.00 11.11 C ATOM 174 O VAL A 12 9.555 -28.434 -9.052 1.00 43.33 O ATOM 175 CB VAL A 12 11.697 -30.838 -8.251 1.00 75.41 C ATOM 176 CG1 VAL A 12 12.843 -30.889 -9.249 1.00 63.31 C ATOM 177 CG2 VAL A 12 12.009 -31.682 -7.024 1.00 52.32 C ATOM 0 H VAL A 12 10.197 -30.235 -6.351 1.00 11.42 H new ATOM 0 HA VAL A 12 12.332 -28.889 -7.575 1.00 65.34 H new ATOM 0 HB VAL A 12 10.810 -31.251 -8.732 1.00 75.41 H new ATOM 0 HG11 VAL A 12 13.039 -31.925 -9.525 1.00 63.31 H new ATOM 0 HG12 VAL A 12 12.575 -30.321 -10.140 1.00 63.31 H new ATOM 0 HG13 VAL A 12 13.737 -30.458 -8.799 1.00 63.31 H new ATOM 0 HG21 VAL A 12 12.218 -32.707 -7.331 1.00 52.32 H new ATOM 0 HG22 VAL A 12 12.880 -31.272 -6.512 1.00 52.32 H new ATOM 0 HG23 VAL A 12 11.153 -31.673 -6.349 1.00 52.32 H new ATOM 187 N ASN A 13 11.591 -28.288 -9.998 1.00 2.44 N ATOM 188 CA ASN A 13 11.112 -27.585 -11.182 1.00 14.40 C ATOM 189 C ASN A 13 10.623 -28.570 -12.239 1.00 65.32 C ATOM 190 O ASN A 13 11.062 -28.532 -13.389 1.00 23.11 O ATOM 191 CB ASN A 13 12.221 -26.705 -11.762 1.00 53.23 C ATOM 192 CG ASN A 13 11.690 -25.677 -12.743 1.00 13.33 C ATOM 193 OD1 ASN A 13 10.850 -24.847 -12.395 1.00 11.44 O ATOM 194 ND2 ASN A 13 12.179 -25.728 -13.976 1.00 74.13 N ATOM 0 H ASN A 13 12.595 -28.465 -9.990 1.00 2.44 H new ATOM 0 HA ASN A 13 10.275 -26.953 -10.885 1.00 14.40 H new ATOM 0 HB2 ASN A 13 12.738 -26.195 -10.950 1.00 53.23 H new ATOM 0 HB3 ASN A 13 12.957 -27.335 -12.262 1.00 53.23 H new ATOM 0 HD21 ASN A 13 11.860 -25.062 -14.679 1.00 74.13 H new ATOM 0 HD22 ASN A 13 12.874 -26.433 -14.220 1.00 74.13 H new ATOM 201 N PHE A 14 9.712 -29.452 -11.842 1.00 62.31 N ATOM 202 CA PHE A 14 9.164 -30.449 -12.755 1.00 10.31 C ATOM 203 C PHE A 14 8.091 -31.286 -12.065 1.00 70.21 C ATOM 204 O PHE A 14 7.875 -32.446 -12.413 1.00 34.23 O ATOM 205 CB PHE A 14 10.277 -31.358 -13.280 1.00 3.33 C ATOM 206 CG PHE A 14 10.573 -32.524 -12.380 1.00 42.42 C ATOM 207 CD1 PHE A 14 10.738 -32.340 -11.017 1.00 14.41 C ATOM 208 CD2 PHE A 14 10.688 -33.804 -12.898 1.00 54.32 C ATOM 209 CE1 PHE A 14 11.010 -33.410 -10.186 1.00 73.32 C ATOM 210 CE2 PHE A 14 10.959 -34.878 -12.073 1.00 21.24 C ATOM 211 CZ PHE A 14 11.122 -34.681 -10.715 1.00 74.21 C ATOM 0 H PHE A 14 9.337 -29.497 -10.894 1.00 62.31 H new ATOM 0 HA PHE A 14 8.707 -29.925 -13.594 1.00 10.31 H new ATOM 0 HB2 PHE A 14 9.996 -31.731 -14.265 1.00 3.33 H new ATOM 0 HB3 PHE A 14 11.185 -30.769 -13.409 1.00 3.33 H new ATOM 0 HD1 PHE A 14 10.653 -31.348 -10.599 1.00 14.41 H new ATOM 0 HD2 PHE A 14 10.564 -33.964 -13.959 1.00 54.32 H new ATOM 0 HE1 PHE A 14 11.135 -33.253 -9.125 1.00 73.32 H new ATOM 0 HE2 PHE A 14 11.043 -35.871 -12.489 1.00 21.24 H new ATOM 0 HZ PHE A 14 11.337 -35.519 -10.069 1.00 74.21 H new ATOM 221 N GLY A 15 7.422 -30.688 -11.084 1.00 33.31 N ATOM 222 CA GLY A 15 6.380 -31.393 -10.360 1.00 0.12 C ATOM 223 C GLY A 15 6.138 -30.812 -8.981 1.00 55.41 C ATOM 224 O GLY A 15 5.914 -31.547 -8.020 1.00 40.32 O ATOM 0 H GLY A 15 7.583 -29.728 -10.778 1.00 33.31 H new ATOM 0 HA2 GLY A 15 5.454 -31.356 -10.934 1.00 0.12 H new ATOM 0 HA3 GLY A 15 6.655 -32.444 -10.265 1.00 0.12 H new ATOM 228 N GLY A 16 6.183 -29.486 -8.883 1.00 23.34 N ATOM 229 CA GLY A 16 5.967 -28.829 -7.607 1.00 33.31 C ATOM 230 C GLY A 16 4.929 -27.728 -7.691 1.00 10.41 C ATOM 231 O GLY A 16 4.481 -27.368 -8.780 1.00 12.22 O ATOM 0 H GLY A 16 6.365 -28.856 -9.664 1.00 23.34 H new ATOM 0 HA2 GLY A 16 5.650 -29.567 -6.871 1.00 33.31 H new ATOM 0 HA3 GLY A 16 6.909 -28.410 -7.253 1.00 33.31 H new ATOM 235 N LYS A 17 4.544 -27.191 -6.538 1.00 51.52 N ATOM 236 CA LYS A 17 3.552 -26.123 -6.484 1.00 71.33 C ATOM 237 C LYS A 17 4.216 -24.756 -6.612 1.00 21.14 C ATOM 238 O LYS A 17 5.191 -24.462 -5.920 1.00 31.32 O ATOM 239 CB LYS A 17 2.762 -26.199 -5.176 1.00 2.34 C ATOM 240 CG LYS A 17 1.787 -25.050 -4.987 1.00 14.01 C ATOM 241 CD LYS A 17 2.066 -24.286 -3.703 1.00 73.42 C ATOM 242 CE LYS A 17 1.934 -25.183 -2.482 1.00 23.04 C ATOM 243 NZ LYS A 17 3.248 -25.415 -1.820 1.00 10.54 N ATOM 0 H LYS A 17 4.904 -27.478 -5.628 1.00 51.52 H new ATOM 0 HA LYS A 17 2.868 -26.254 -7.322 1.00 71.33 H new ATOM 0 HB2 LYS A 17 2.212 -27.140 -5.148 1.00 2.34 H new ATOM 0 HB3 LYS A 17 3.461 -26.213 -4.340 1.00 2.34 H new ATOM 0 HG2 LYS A 17 1.854 -24.371 -5.837 1.00 14.01 H new ATOM 0 HG3 LYS A 17 0.768 -25.436 -4.967 1.00 14.01 H new ATOM 0 HD2 LYS A 17 3.071 -23.865 -3.740 1.00 73.42 H new ATOM 0 HD3 LYS A 17 1.373 -23.449 -3.618 1.00 73.42 H new ATOM 0 HE2 LYS A 17 1.244 -24.729 -1.771 1.00 23.04 H new ATOM 0 HE3 LYS A 17 1.503 -26.139 -2.779 1.00 23.04 H new ATOM 0 HZ1 LYS A 17 3.101 -25.578 -0.803 1.00 10.54 H new ATOM 0 HZ2 LYS A 17 3.707 -26.248 -2.241 1.00 10.54 H new ATOM 0 HZ3 LYS A 17 3.855 -24.581 -1.952 1.00 10.54 H new ATOM 257 N SER A 18 3.681 -23.924 -7.499 1.00 41.40 N ATOM 258 CA SER A 18 4.224 -22.588 -7.718 1.00 72.02 C ATOM 259 C SER A 18 3.187 -21.519 -7.386 1.00 71.24 C ATOM 260 O SER A 18 1.991 -21.709 -7.607 1.00 14.31 O ATOM 261 CB SER A 18 4.686 -22.434 -9.169 1.00 13.25 C ATOM 262 OG SER A 18 3.726 -21.729 -9.937 1.00 60.22 O ATOM 0 H SER A 18 2.872 -24.151 -8.078 1.00 41.40 H new ATOM 0 HA SER A 18 5.080 -22.457 -7.056 1.00 72.02 H new ATOM 0 HB2 SER A 18 5.638 -21.905 -9.197 1.00 13.25 H new ATOM 0 HB3 SER A 18 4.855 -23.418 -9.607 1.00 13.25 H new ATOM 0 HG SER A 18 4.045 -21.642 -10.860 1.00 60.22 H new ATOM 268 N PHE A 19 3.655 -20.395 -6.855 1.00 11.24 N ATOM 269 CA PHE A 19 2.769 -19.295 -6.491 1.00 4.24 C ATOM 270 C PHE A 19 3.477 -17.952 -6.647 1.00 24.21 C ATOM 271 O PHE A 19 4.579 -17.756 -6.134 1.00 43.12 O ATOM 272 CB PHE A 19 2.280 -19.461 -5.051 1.00 33.34 C ATOM 273 CG PHE A 19 3.354 -19.907 -4.100 1.00 73.30 C ATOM 274 CD1 PHE A 19 3.608 -21.255 -3.904 1.00 35.31 C ATOM 275 CD2 PHE A 19 4.110 -18.979 -3.403 1.00 53.31 C ATOM 276 CE1 PHE A 19 4.595 -21.668 -3.029 1.00 74.21 C ATOM 277 CE2 PHE A 19 5.099 -19.386 -2.527 1.00 54.22 C ATOM 278 CZ PHE A 19 5.342 -20.732 -2.341 1.00 31.41 C ATOM 0 H PHE A 19 4.642 -20.221 -6.667 1.00 11.24 H new ATOM 0 HA PHE A 19 1.911 -19.315 -7.164 1.00 4.24 H new ATOM 0 HB2 PHE A 19 1.869 -18.513 -4.704 1.00 33.34 H new ATOM 0 HB3 PHE A 19 1.466 -20.186 -5.033 1.00 33.34 H new ATOM 0 HD1 PHE A 19 3.028 -21.991 -4.441 1.00 35.31 H new ATOM 0 HD2 PHE A 19 3.925 -17.925 -3.546 1.00 53.31 H new ATOM 0 HE1 PHE A 19 4.782 -22.722 -2.883 1.00 74.21 H new ATOM 0 HE2 PHE A 19 5.681 -18.652 -1.989 1.00 54.22 H new ATOM 0 HZ PHE A 19 6.115 -21.053 -1.658 1.00 31.41 H new ATOM 288 N ASP A 20 2.837 -17.032 -7.359 1.00 15.21 N ATOM 289 CA ASP A 20 3.403 -15.707 -7.583 1.00 64.03 C ATOM 290 C ASP A 20 2.510 -14.625 -6.985 1.00 31.12 C ATOM 291 O ASP A 20 1.861 -13.871 -7.709 1.00 44.04 O ATOM 292 CB ASP A 20 3.595 -15.458 -9.080 1.00 52.41 C ATOM 293 CG ASP A 20 2.494 -16.080 -9.916 1.00 71.01 C ATOM 294 OD1 ASP A 20 1.475 -15.400 -10.156 1.00 11.40 O ATOM 295 OD2 ASP A 20 2.651 -17.248 -10.330 1.00 30.11 O ATOM 0 H ASP A 20 1.925 -17.179 -7.791 1.00 15.21 H new ATOM 0 HA ASP A 20 4.373 -15.665 -7.088 1.00 64.03 H new ATOM 0 HB2 ASP A 20 3.626 -14.384 -9.266 1.00 52.41 H new ATOM 0 HB3 ASP A 20 4.557 -15.863 -9.392 1.00 52.41 H new ATOM 473 N LYS A 35 13.855 -30.576 2.432 1.00 21.12 N ATOM 474 CA LYS A 35 13.708 -29.233 1.884 1.00 34.10 C ATOM 475 C LYS A 35 14.427 -29.110 0.545 1.00 60.03 C ATOM 476 O LYS A 35 15.651 -28.979 0.497 1.00 75.43 O ATOM 477 CB LYS A 35 14.256 -28.196 2.867 1.00 52.13 C ATOM 478 CG LYS A 35 14.355 -26.797 2.282 1.00 23.43 C ATOM 479 CD LYS A 35 13.017 -26.322 1.743 1.00 13.20 C ATOM 480 CE LYS A 35 13.014 -26.272 0.223 1.00 61.32 C ATOM 481 NZ LYS A 35 12.987 -24.873 -0.286 1.00 60.25 N ATOM 0 HA LYS A 35 12.646 -29.047 1.724 1.00 34.10 H new ATOM 0 HB2 LYS A 35 13.615 -28.168 3.748 1.00 52.13 H new ATOM 0 HB3 LYS A 35 15.244 -28.512 3.202 1.00 52.13 H new ATOM 0 HG2 LYS A 35 14.706 -26.105 3.048 1.00 23.43 H new ATOM 0 HG3 LYS A 35 15.095 -26.788 1.481 1.00 23.43 H new ATOM 0 HD2 LYS A 35 12.227 -26.989 2.088 1.00 13.20 H new ATOM 0 HD3 LYS A 35 12.794 -25.332 2.141 1.00 13.20 H new ATOM 0 HE2 LYS A 35 13.899 -26.780 -0.159 1.00 61.32 H new ATOM 0 HE3 LYS A 35 12.147 -26.813 -0.156 1.00 61.32 H new ATOM 0 HZ1 LYS A 35 12.732 -24.875 -1.294 1.00 60.25 H new ATOM 0 HZ2 LYS A 35 12.284 -24.323 0.248 1.00 60.25 H new ATOM 0 HZ3 LYS A 35 13.926 -24.442 -0.168 1.00 60.25 H new ATOM 495 N ILE A 36 13.660 -29.151 -0.540 1.00 22.14 N ATOM 496 CA ILE A 36 14.225 -29.041 -1.879 1.00 21.42 C ATOM 497 C ILE A 36 13.255 -28.349 -2.830 1.00 33.31 C ATOM 498 O ILE A 36 12.111 -28.777 -2.986 1.00 11.24 O ATOM 499 CB ILE A 36 14.589 -30.424 -2.451 1.00 61.13 C ATOM 500 CG1 ILE A 36 13.448 -31.415 -2.214 1.00 74.01 C ATOM 501 CG2 ILE A 36 15.879 -30.934 -1.825 1.00 53.35 C ATOM 502 CD1 ILE A 36 13.552 -32.153 -0.898 1.00 13.34 C ATOM 0 H ILE A 36 12.646 -29.260 -0.518 1.00 22.14 H new ATOM 0 HA ILE A 36 15.132 -28.443 -1.791 1.00 21.42 H new ATOM 0 HB ILE A 36 14.743 -30.327 -3.526 1.00 61.13 H new ATOM 0 HG12 ILE A 36 12.499 -30.879 -2.247 1.00 74.01 H new ATOM 0 HG13 ILE A 36 13.433 -32.140 -3.028 1.00 74.01 H new ATOM 0 HG21 ILE A 36 16.123 -31.912 -2.240 1.00 53.35 H new ATOM 0 HG22 ILE A 36 16.689 -30.237 -2.041 1.00 53.35 H new ATOM 0 HG23 ILE A 36 15.751 -31.019 -0.746 1.00 53.35 H new ATOM 0 HD11 ILE A 36 12.710 -32.838 -0.798 1.00 13.34 H new ATOM 0 HD12 ILE A 36 14.484 -32.717 -0.870 1.00 13.34 H new ATOM 0 HD13 ILE A 36 13.537 -31.436 -0.077 1.00 13.34 H new ATOM 514 N SER A 37 13.720 -27.278 -3.465 1.00 72.53 N ATOM 515 CA SER A 37 12.892 -26.525 -4.400 1.00 64.24 C ATOM 516 C SER A 37 13.739 -25.543 -5.205 1.00 15.01 C ATOM 517 O SER A 37 14.967 -25.622 -5.207 1.00 51.31 O ATOM 518 CB SER A 37 11.793 -25.772 -3.649 1.00 73.32 C ATOM 519 OG SER A 37 12.282 -24.555 -3.114 1.00 23.13 O ATOM 0 H SER A 37 14.665 -26.912 -3.349 1.00 72.53 H new ATOM 0 HA SER A 37 12.431 -27.232 -5.090 1.00 64.24 H new ATOM 0 HB2 SER A 37 10.962 -25.568 -4.324 1.00 73.32 H new ATOM 0 HB3 SER A 37 11.405 -26.396 -2.844 1.00 73.32 H new ATOM 0 HG SER A 37 11.630 -23.841 -3.275 1.00 23.13 H new ATOM 525 N SER A 38 13.071 -24.618 -5.887 1.00 44.23 N ATOM 526 CA SER A 38 13.760 -23.622 -6.699 1.00 44.24 C ATOM 527 C SER A 38 13.338 -22.211 -6.302 1.00 4.50 C ATOM 528 O SER A 38 12.328 -22.021 -5.624 1.00 41.00 O ATOM 529 CB SER A 38 13.471 -23.854 -8.184 1.00 12.04 C ATOM 530 OG SER A 38 14.046 -22.834 -8.981 1.00 43.12 O ATOM 0 H SER A 38 12.054 -24.538 -5.893 1.00 44.23 H new ATOM 0 HA SER A 38 14.831 -23.725 -6.524 1.00 44.24 H new ATOM 0 HB2 SER A 38 13.867 -24.823 -8.487 1.00 12.04 H new ATOM 0 HB3 SER A 38 12.394 -23.884 -8.348 1.00 12.04 H new ATOM 0 HG SER A 38 14.871 -22.516 -8.559 1.00 43.12 H new ATOM 536 N ILE A 39 14.120 -21.224 -6.729 1.00 35.12 N ATOM 537 CA ILE A 39 13.827 -19.830 -6.419 1.00 20.11 C ATOM 538 C ILE A 39 13.876 -18.966 -7.674 1.00 41.13 C ATOM 539 O ILE A 39 14.739 -19.148 -8.534 1.00 1.55 O ATOM 540 CB ILE A 39 14.815 -19.265 -5.381 1.00 53.12 C ATOM 541 CG1 ILE A 39 14.063 -18.783 -4.139 1.00 32.22 C ATOM 542 CG2 ILE A 39 15.629 -18.131 -5.987 1.00 75.22 C ATOM 543 CD1 ILE A 39 13.185 -17.578 -4.393 1.00 44.51 C ATOM 0 H ILE A 39 14.960 -21.364 -7.290 1.00 35.12 H new ATOM 0 HA ILE A 39 12.820 -19.804 -6.002 1.00 20.11 H new ATOM 0 HB ILE A 39 15.500 -20.059 -5.083 1.00 53.12 H new ATOM 0 HG12 ILE A 39 13.447 -19.598 -3.759 1.00 32.22 H new ATOM 0 HG13 ILE A 39 14.785 -18.539 -3.360 1.00 32.22 H new ATOM 0 HG21 ILE A 39 16.323 -17.742 -5.241 1.00 75.22 H new ATOM 0 HG22 ILE A 39 16.189 -18.503 -6.845 1.00 75.22 H new ATOM 0 HG23 ILE A 39 14.959 -17.334 -6.310 1.00 75.22 H new ATOM 0 HD11 ILE A 39 12.683 -17.292 -3.469 1.00 44.51 H new ATOM 0 HD12 ILE A 39 13.799 -16.748 -4.744 1.00 44.51 H new ATOM 0 HD13 ILE A 39 12.440 -17.824 -5.150 1.00 44.51 H new ATOM 555 N LYS A 40 12.945 -18.023 -7.774 1.00 21.23 N ATOM 556 CA LYS A 40 12.882 -17.127 -8.922 1.00 64.02 C ATOM 557 C LYS A 40 12.575 -15.699 -8.482 1.00 74.41 C ATOM 558 O LYS A 40 11.657 -15.466 -7.695 1.00 43.21 O ATOM 559 CB LYS A 40 11.819 -17.607 -9.912 1.00 60.24 C ATOM 560 CG LYS A 40 12.180 -17.349 -11.365 1.00 70.41 C ATOM 561 CD LYS A 40 10.956 -16.983 -12.187 1.00 52.22 C ATOM 562 CE LYS A 40 11.269 -16.965 -13.676 1.00 32.24 C ATOM 563 NZ LYS A 40 10.829 -18.218 -14.350 1.00 15.12 N ATOM 0 H LYS A 40 12.223 -17.860 -7.072 1.00 21.23 H new ATOM 0 HA LYS A 40 13.856 -17.136 -9.412 1.00 64.02 H new ATOM 0 HB2 LYS A 40 11.659 -18.676 -9.770 1.00 60.24 H new ATOM 0 HB3 LYS A 40 10.875 -17.111 -9.687 1.00 60.24 H new ATOM 0 HG2 LYS A 40 12.912 -16.543 -11.421 1.00 70.41 H new ATOM 0 HG3 LYS A 40 12.651 -18.237 -11.787 1.00 70.41 H new ATOM 0 HD2 LYS A 40 10.157 -17.698 -11.991 1.00 52.22 H new ATOM 0 HD3 LYS A 40 10.589 -16.004 -11.879 1.00 52.22 H new ATOM 0 HE2 LYS A 40 10.777 -16.111 -14.140 1.00 32.24 H new ATOM 0 HE3 LYS A 40 12.341 -16.832 -13.820 1.00 32.24 H new ATOM 0 HZ1 LYS A 40 11.060 -18.167 -15.363 1.00 15.12 H new ATOM 0 HZ2 LYS A 40 11.318 -19.031 -13.924 1.00 15.12 H new ATOM 0 HZ3 LYS A 40 9.802 -18.332 -14.234 1.00 15.12 H new ATOM 577 N VAL A 41 13.346 -14.747 -8.996 1.00 45.02 N ATOM 578 CA VAL A 41 13.154 -13.342 -8.658 1.00 44.22 C ATOM 579 C VAL A 41 13.163 -12.470 -9.909 1.00 3.45 C ATOM 580 O VAL A 41 13.966 -12.678 -10.819 1.00 13.21 O ATOM 581 CB VAL A 41 14.244 -12.843 -7.690 1.00 73.41 C ATOM 582 CG1 VAL A 41 15.628 -13.159 -8.235 1.00 61.25 C ATOM 583 CG2 VAL A 41 14.089 -11.351 -7.437 1.00 70.31 C ATOM 0 H VAL A 41 14.110 -14.923 -9.648 1.00 45.02 H new ATOM 0 HA VAL A 41 12.182 -13.264 -8.170 1.00 44.22 H new ATOM 0 HB VAL A 41 14.127 -13.363 -6.739 1.00 73.41 H new ATOM 0 HG11 VAL A 41 16.385 -12.799 -7.538 1.00 61.25 H new ATOM 0 HG12 VAL A 41 15.733 -14.237 -8.359 1.00 61.25 H new ATOM 0 HG13 VAL A 41 15.760 -12.668 -9.199 1.00 61.25 H new ATOM 0 HG21 VAL A 41 14.867 -11.015 -6.751 1.00 70.31 H new ATOM 0 HG22 VAL A 41 14.178 -10.811 -8.380 1.00 70.31 H new ATOM 0 HG23 VAL A 41 13.110 -11.156 -6.999 1.00 70.31 H new ATOM 593 N LYS A 42 12.266 -11.491 -9.947 1.00 13.32 N ATOM 594 CA LYS A 42 12.170 -10.584 -11.084 1.00 51.24 C ATOM 595 C LYS A 42 11.848 -9.166 -10.624 1.00 50.41 C ATOM 596 O LYS A 42 11.034 -8.474 -11.236 1.00 33.21 O ATOM 597 CB LYS A 42 11.097 -11.070 -12.062 1.00 22.04 C ATOM 598 CG LYS A 42 11.313 -10.594 -13.488 1.00 11.02 C ATOM 599 CD LYS A 42 11.748 -11.732 -14.396 1.00 31.02 C ATOM 600 CE LYS A 42 13.262 -11.872 -14.427 1.00 61.23 C ATOM 601 NZ LYS A 42 13.685 -13.296 -14.530 1.00 23.31 N ATOM 0 H LYS A 42 11.594 -11.305 -9.202 1.00 13.32 H new ATOM 0 HA LYS A 42 13.136 -10.573 -11.589 1.00 51.24 H new ATOM 0 HB2 LYS A 42 11.074 -12.160 -12.051 1.00 22.04 H new ATOM 0 HB3 LYS A 42 10.121 -10.727 -11.717 1.00 22.04 H new ATOM 0 HG2 LYS A 42 10.391 -10.155 -13.870 1.00 11.02 H new ATOM 0 HG3 LYS A 42 12.069 -9.809 -13.500 1.00 11.02 H new ATOM 0 HD2 LYS A 42 11.302 -12.665 -14.051 1.00 31.02 H new ATOM 0 HD3 LYS A 42 11.377 -11.556 -15.406 1.00 31.02 H new ATOM 0 HE2 LYS A 42 13.661 -11.312 -15.273 1.00 61.23 H new ATOM 0 HE3 LYS A 42 13.686 -11.431 -13.525 1.00 61.23 H new ATOM 0 HZ1 LYS A 42 14.723 -13.349 -14.548 1.00 23.31 H new ATOM 0 HZ2 LYS A 42 13.326 -13.825 -13.710 1.00 23.31 H new ATOM 0 HZ3 LYS A 42 13.302 -13.710 -15.404 1.00 23.31 H new ATOM 615 N SER A 43 12.493 -8.738 -9.544 1.00 22.25 N ATOM 616 CA SER A 43 12.273 -7.403 -9.000 1.00 45.13 C ATOM 617 C SER A 43 13.250 -7.111 -7.865 1.00 34.04 C ATOM 618 O SER A 43 13.162 -7.701 -6.789 1.00 12.24 O ATOM 619 CB SER A 43 10.835 -7.263 -8.500 1.00 34.43 C ATOM 620 OG SER A 43 10.074 -6.433 -9.360 1.00 13.14 O ATOM 0 H SER A 43 13.173 -9.297 -9.028 1.00 22.25 H new ATOM 0 HA SER A 43 12.444 -6.680 -9.798 1.00 45.13 H new ATOM 0 HB2 SER A 43 10.372 -8.248 -8.436 1.00 34.43 H new ATOM 0 HB3 SER A 43 10.836 -6.845 -7.493 1.00 34.43 H new ATOM 0 HG SER A 43 10.096 -6.797 -10.270 1.00 13.14 H new ATOM 626 N GLY A 44 14.181 -6.195 -8.114 1.00 20.33 N ATOM 627 CA GLY A 44 15.161 -5.840 -7.104 1.00 30.31 C ATOM 628 C GLY A 44 15.949 -7.039 -6.614 1.00 41.11 C ATOM 629 O GLY A 44 16.358 -7.889 -7.406 1.00 2.12 O ATOM 0 H GLY A 44 14.274 -5.693 -8.997 1.00 20.33 H new ATOM 0 HA2 GLY A 44 15.849 -5.100 -7.514 1.00 30.31 H new ATOM 0 HA3 GLY A 44 14.655 -5.372 -6.260 1.00 30.31 H new ATOM 633 N THR A 45 16.165 -7.108 -5.304 1.00 62.21 N ATOM 634 CA THR A 45 16.912 -8.210 -4.710 1.00 10.41 C ATOM 635 C THR A 45 16.439 -8.490 -3.288 1.00 63.41 C ATOM 636 O THR A 45 16.141 -7.568 -2.530 1.00 14.12 O ATOM 637 CB THR A 45 18.424 -7.916 -4.687 1.00 51.35 C ATOM 638 OG1 THR A 45 18.689 -6.775 -3.864 1.00 10.41 O ATOM 639 CG2 THR A 45 18.947 -7.665 -6.094 1.00 23.23 C ATOM 0 H THR A 45 15.833 -6.414 -4.634 1.00 62.21 H new ATOM 0 HA THR A 45 16.729 -9.087 -5.331 1.00 10.41 H new ATOM 0 HB THR A 45 18.935 -8.786 -4.276 1.00 51.35 H new ATOM 0 HG1 THR A 45 19.652 -6.596 -3.853 1.00 10.41 H new ATOM 0 HG21 THR A 45 20.017 -7.460 -6.053 1.00 23.23 H new ATOM 0 HG22 THR A 45 18.770 -8.546 -6.711 1.00 23.23 H new ATOM 0 HG23 THR A 45 18.429 -6.809 -6.527 1.00 23.23 H new ATOM 647 N TRP A 46 16.375 -9.768 -2.933 1.00 74.51 N ATOM 648 CA TRP A 46 15.938 -10.170 -1.601 1.00 24.25 C ATOM 649 C TRP A 46 17.105 -10.725 -0.790 1.00 52.02 C ATOM 650 O TRP A 46 18.179 -10.986 -1.331 1.00 64.41 O ATOM 651 CB TRP A 46 14.827 -11.216 -1.699 1.00 73.01 C ATOM 652 CG TRP A 46 13.849 -10.941 -2.801 1.00 71.53 C ATOM 653 CD1 TRP A 46 13.389 -9.720 -3.204 1.00 20.15 C ATOM 654 CD2 TRP A 46 13.210 -11.909 -3.641 1.00 31.43 C ATOM 655 NE1 TRP A 46 12.502 -9.870 -4.243 1.00 24.45 N ATOM 656 CE2 TRP A 46 12.376 -11.204 -4.530 1.00 40.32 C ATOM 657 CE3 TRP A 46 13.262 -13.303 -3.729 1.00 43.02 C ATOM 658 CZ2 TRP A 46 11.602 -11.846 -5.493 1.00 31.23 C ATOM 659 CZ3 TRP A 46 12.493 -13.939 -4.685 1.00 22.22 C ATOM 660 CH2 TRP A 46 11.673 -13.211 -5.557 1.00 34.33 C ATOM 0 H TRP A 46 16.620 -10.544 -3.549 1.00 74.51 H new ATOM 0 HA TRP A 46 15.552 -9.287 -1.091 1.00 24.25 H new ATOM 0 HB2 TRP A 46 15.274 -12.197 -1.856 1.00 73.01 H new ATOM 0 HB3 TRP A 46 14.292 -11.258 -0.750 1.00 73.01 H new ATOM 0 HD1 TRP A 46 13.680 -8.775 -2.770 1.00 20.15 H new ATOM 0 HE1 TRP A 46 12.017 -9.112 -4.722 1.00 24.45 H new ATOM 0 HE3 TRP A 46 13.892 -13.873 -3.062 1.00 43.02 H new ATOM 0 HZ2 TRP A 46 10.968 -11.287 -6.165 1.00 31.23 H new ATOM 0 HZ3 TRP A 46 12.525 -15.016 -4.761 1.00 22.22 H new ATOM 0 HH2 TRP A 46 11.085 -13.738 -6.294 1.00 34.33 H new ATOM 671 N ARG A 47 16.886 -10.902 0.509 1.00 60.54 N ATOM 672 CA ARG A 47 17.920 -11.426 1.393 1.00 3.40 C ATOM 673 C ARG A 47 17.572 -12.835 1.863 1.00 13.34 C ATOM 674 O ARG A 47 16.532 -13.054 2.485 1.00 54.44 O ATOM 675 CB ARG A 47 18.103 -10.504 2.600 1.00 12.13 C ATOM 676 CG ARG A 47 18.704 -9.153 2.250 1.00 44.13 C ATOM 677 CD ARG A 47 17.662 -8.047 2.307 1.00 71.21 C ATOM 678 NE ARG A 47 18.255 -6.752 2.627 1.00 42.42 N ATOM 679 CZ ARG A 47 17.550 -5.700 3.028 1.00 5.42 C ATOM 680 NH1 ARG A 47 16.234 -5.790 3.159 1.00 41.15 N ATOM 681 NH2 ARG A 47 18.163 -4.554 3.301 1.00 74.23 N ATOM 0 H ARG A 47 16.002 -10.690 0.972 1.00 60.54 H new ATOM 0 HA ARG A 47 18.854 -11.470 0.833 1.00 3.40 H new ATOM 0 HB2 ARG A 47 17.136 -10.349 3.078 1.00 12.13 H new ATOM 0 HB3 ARG A 47 18.743 -10.999 3.330 1.00 12.13 H new ATOM 0 HG2 ARG A 47 19.516 -8.925 2.941 1.00 44.13 H new ATOM 0 HG3 ARG A 47 19.138 -9.194 1.251 1.00 44.13 H new ATOM 0 HD2 ARG A 47 17.148 -7.983 1.348 1.00 71.21 H new ATOM 0 HD3 ARG A 47 16.910 -8.296 3.055 1.00 71.21 H new ATOM 0 HE ARG A 47 19.266 -6.649 2.538 1.00 42.42 H new ATOM 0 HH11 ARG A 47 15.760 -6.669 2.952 1.00 41.15 H new ATOM 0 HH12 ARG A 47 15.696 -4.980 3.467 1.00 41.15 H new ATOM 0 HH21 ARG A 47 19.176 -4.481 3.203 1.00 74.23 H new ATOM 0 HH22 ARG A 47 17.621 -3.747 3.609 1.00 74.23 H new ATOM 695 N PHE A 48 18.448 -13.787 1.562 1.00 23.14 N ATOM 696 CA PHE A 48 18.233 -15.175 1.953 1.00 72.52 C ATOM 697 C PHE A 48 19.231 -15.600 3.026 1.00 1.21 C ATOM 698 O PHE A 48 20.440 -15.434 2.865 1.00 64.32 O ATOM 699 CB PHE A 48 18.354 -16.094 0.736 1.00 62.55 C ATOM 700 CG PHE A 48 17.029 -16.534 0.181 1.00 0.44 C ATOM 701 CD1 PHE A 48 16.344 -17.596 0.749 1.00 52.14 C ATOM 702 CD2 PHE A 48 16.468 -15.884 -0.906 1.00 43.32 C ATOM 703 CE1 PHE A 48 15.125 -18.002 0.240 1.00 34.41 C ATOM 704 CE2 PHE A 48 15.249 -16.285 -1.419 1.00 21.41 C ATOM 705 CZ PHE A 48 14.576 -17.346 -0.844 1.00 40.41 C ATOM 0 H PHE A 48 19.314 -13.623 1.048 1.00 23.14 H new ATOM 0 HA PHE A 48 17.227 -15.258 2.365 1.00 72.52 H new ATOM 0 HB2 PHE A 48 18.912 -15.577 -0.045 1.00 62.55 H new ATOM 0 HB3 PHE A 48 18.933 -16.975 1.012 1.00 62.55 H new ATOM 0 HD1 PHE A 48 16.767 -18.112 1.598 1.00 52.14 H new ATOM 0 HD2 PHE A 48 16.990 -15.054 -1.358 1.00 43.32 H new ATOM 0 HE1 PHE A 48 14.602 -18.833 0.690 1.00 34.41 H new ATOM 0 HE2 PHE A 48 14.823 -15.770 -2.268 1.00 21.41 H new ATOM 0 HZ PHE A 48 13.623 -17.662 -1.242 1.00 40.41 H new ATOM 715 N TYR A 49 18.716 -16.147 4.121 1.00 32.03 N ATOM 716 CA TYR A 49 19.561 -16.593 5.223 1.00 15.40 C ATOM 717 C TYR A 49 19.043 -17.902 5.811 1.00 43.00 C ATOM 718 O TYR A 49 17.878 -18.006 6.191 1.00 33.11 O ATOM 719 CB TYR A 49 19.622 -15.521 6.312 1.00 13.53 C ATOM 720 CG TYR A 49 18.496 -14.514 6.235 1.00 42.21 C ATOM 721 CD1 TYR A 49 17.266 -14.771 6.828 1.00 40.03 C ATOM 722 CD2 TYR A 49 18.662 -13.306 5.569 1.00 64.15 C ATOM 723 CE1 TYR A 49 16.235 -13.855 6.759 1.00 15.41 C ATOM 724 CE2 TYR A 49 17.637 -12.383 5.496 1.00 21.21 C ATOM 725 CZ TYR A 49 16.425 -12.662 6.093 1.00 61.13 C ATOM 726 OH TYR A 49 15.401 -11.746 6.022 1.00 53.14 O ATOM 0 H TYR A 49 17.717 -16.292 4.270 1.00 32.03 H new ATOM 0 HA TYR A 49 20.564 -16.763 4.833 1.00 15.40 H new ATOM 0 HB2 TYR A 49 19.599 -16.005 7.288 1.00 13.53 H new ATOM 0 HB3 TYR A 49 20.574 -14.995 6.239 1.00 13.53 H new ATOM 0 HD1 TYR A 49 17.114 -15.703 7.352 1.00 40.03 H new ATOM 0 HD2 TYR A 49 19.609 -13.085 5.100 1.00 64.15 H new ATOM 0 HE1 TYR A 49 15.285 -14.072 7.224 1.00 15.41 H new ATOM 0 HE2 TYR A 49 17.783 -11.449 4.975 1.00 21.21 H new ATOM 0 HH TYR A 49 15.700 -10.960 5.519 1.00 53.14 H new ATOM 736 N GLU A 50 19.920 -18.898 5.882 1.00 25.42 N ATOM 737 CA GLU A 50 19.553 -20.202 6.424 1.00 51.54 C ATOM 738 C GLU A 50 20.007 -20.336 7.874 1.00 12.44 C ATOM 739 O GLU A 50 21.110 -20.808 8.150 1.00 73.41 O ATOM 740 CB GLU A 50 20.167 -21.321 5.580 1.00 1.31 C ATOM 741 CG GLU A 50 20.088 -21.068 4.084 1.00 61.32 C ATOM 742 CD GLU A 50 18.683 -20.733 3.622 1.00 62.51 C ATOM 743 OE1 GLU A 50 18.315 -19.541 3.660 1.00 4.51 O ATOM 744 OE2 GLU A 50 17.952 -21.663 3.223 1.00 73.41 O ATOM 0 H GLU A 50 20.889 -18.828 5.571 1.00 25.42 H new ATOM 0 HA GLU A 50 18.467 -20.287 6.392 1.00 51.54 H new ATOM 0 HB2 GLU A 50 21.212 -21.447 5.864 1.00 1.31 H new ATOM 0 HB3 GLU A 50 19.659 -22.258 5.809 1.00 1.31 H new ATOM 0 HG2 GLU A 50 20.758 -20.249 3.822 1.00 61.32 H new ATOM 0 HG3 GLU A 50 20.441 -21.951 3.551 1.00 61.32 H new ATOM 751 N TYR A 51 19.149 -19.916 8.797 1.00 12.24 N ATOM 752 CA TYR A 51 19.462 -19.986 10.220 1.00 53.32 C ATOM 753 C TYR A 51 18.384 -19.295 11.049 1.00 13.14 C ATOM 754 O TYR A 51 17.390 -18.806 10.512 1.00 53.42 O ATOM 755 CB TYR A 51 20.823 -19.345 10.496 1.00 13.42 C ATOM 756 CG TYR A 51 21.873 -20.329 10.960 1.00 53.20 C ATOM 757 CD1 TYR A 51 21.707 -21.049 12.136 1.00 34.51 C ATOM 758 CD2 TYR A 51 23.031 -20.539 10.221 1.00 13.41 C ATOM 759 CE1 TYR A 51 22.664 -21.949 12.564 1.00 52.02 C ATOM 760 CE2 TYR A 51 23.993 -21.437 10.640 1.00 35.25 C ATOM 761 CZ TYR A 51 23.805 -22.140 11.813 1.00 53.54 C ATOM 762 OH TYR A 51 24.760 -23.036 12.235 1.00 51.24 O ATOM 0 H TYR A 51 18.232 -19.524 8.586 1.00 12.24 H new ATOM 0 HA TYR A 51 19.498 -21.037 10.507 1.00 53.32 H new ATOM 0 HB2 TYR A 51 21.174 -18.853 9.589 1.00 13.42 H new ATOM 0 HB3 TYR A 51 20.703 -18.570 11.253 1.00 13.42 H new ATOM 0 HD1 TYR A 51 20.814 -20.903 12.726 1.00 34.51 H new ATOM 0 HD2 TYR A 51 23.181 -19.990 9.303 1.00 13.41 H new ATOM 0 HE1 TYR A 51 22.519 -22.500 13.482 1.00 52.02 H new ATOM 0 HE2 TYR A 51 24.887 -21.588 10.053 1.00 35.25 H new ATOM 0 HH TYR A 51 25.500 -23.052 11.592 1.00 51.24 H new ATOM 772 N ILE A 52 18.589 -19.259 12.362 1.00 53.23 N ATOM 773 CA ILE A 52 17.636 -18.627 13.266 1.00 2.21 C ATOM 774 C ILE A 52 17.432 -17.158 12.911 1.00 61.04 C ATOM 775 O ILE A 52 18.134 -16.611 12.061 1.00 72.41 O ATOM 776 CB ILE A 52 18.098 -18.729 14.732 1.00 63.34 C ATOM 777 CG1 ILE A 52 19.512 -18.165 14.884 1.00 23.01 C ATOM 778 CG2 ILE A 52 18.045 -20.175 15.204 1.00 41.51 C ATOM 779 CD1 ILE A 52 20.033 -18.214 16.303 1.00 32.45 C ATOM 0 H ILE A 52 19.406 -19.660 12.823 1.00 53.23 H new ATOM 0 HA ILE A 52 16.692 -19.160 13.152 1.00 2.21 H new ATOM 0 HB ILE A 52 17.423 -18.139 15.353 1.00 63.34 H new ATOM 0 HG12 ILE A 52 20.189 -18.724 14.238 1.00 23.01 H new ATOM 0 HG13 ILE A 52 19.521 -17.132 14.538 1.00 23.01 H new ATOM 0 HG21 ILE A 52 18.374 -20.231 16.242 1.00 41.51 H new ATOM 0 HG22 ILE A 52 17.023 -20.546 15.127 1.00 41.51 H new ATOM 0 HG23 ILE A 52 18.700 -20.785 14.582 1.00 41.51 H new ATOM 0 HD11 ILE A 52 21.040 -17.798 16.335 1.00 32.45 H new ATOM 0 HD12 ILE A 52 19.379 -17.631 16.951 1.00 32.45 H new ATOM 0 HD13 ILE A 52 20.056 -19.248 16.646 1.00 32.45 H new ATOM 791 N ASN A 53 16.467 -16.524 13.569 1.00 60.21 N ATOM 792 CA ASN A 53 16.171 -15.117 13.323 1.00 30.44 C ATOM 793 C ASN A 53 17.090 -14.217 14.143 1.00 0.03 C ATOM 794 O ASN A 53 16.629 -13.325 14.855 1.00 14.42 O ATOM 795 CB ASN A 53 14.709 -14.816 13.661 1.00 44.11 C ATOM 796 CG ASN A 53 13.747 -15.433 12.665 1.00 72.40 C ATOM 797 OD1 ASN A 53 13.436 -14.837 11.634 1.00 61.34 O ATOM 798 ND2 ASN A 53 13.270 -16.634 12.970 1.00 35.43 N ATOM 0 H ASN A 53 15.877 -16.962 14.276 1.00 60.21 H new ATOM 0 HA ASN A 53 16.342 -14.914 12.266 1.00 30.44 H new ATOM 0 HB2 ASN A 53 14.485 -15.192 14.659 1.00 44.11 H new ATOM 0 HB3 ASN A 53 14.559 -13.737 13.686 1.00 44.11 H new ATOM 0 HD21 ASN A 53 12.618 -17.099 12.338 1.00 35.43 H new ATOM 0 HD22 ASN A 53 13.555 -17.091 13.836 1.00 35.43 H new ATOM 805 N TYR A 54 18.392 -14.457 14.037 1.00 2.05 N ATOM 806 CA TYR A 54 19.377 -13.669 14.770 1.00 35.42 C ATOM 807 C TYR A 54 20.713 -13.646 14.034 1.00 14.10 C ATOM 808 O TYR A 54 21.316 -12.589 13.852 1.00 74.11 O ATOM 809 CB TYR A 54 19.567 -14.235 16.178 1.00 23.14 C ATOM 810 CG TYR A 54 18.322 -14.164 17.033 1.00 22.13 C ATOM 811 CD1 TYR A 54 18.055 -13.047 17.815 1.00 54.14 C ATOM 812 CD2 TYR A 54 17.413 -15.214 17.059 1.00 72.51 C ATOM 813 CE1 TYR A 54 16.919 -12.978 18.598 1.00 73.34 C ATOM 814 CE2 TYR A 54 16.273 -15.154 17.838 1.00 45.01 C ATOM 815 CZ TYR A 54 16.031 -14.034 18.606 1.00 61.12 C ATOM 816 OH TYR A 54 14.898 -13.969 19.383 1.00 33.14 O ATOM 0 H TYR A 54 18.790 -15.191 13.451 1.00 2.05 H new ATOM 0 HA TYR A 54 19.006 -12.647 14.843 1.00 35.42 H new ATOM 0 HB2 TYR A 54 19.887 -15.274 16.102 1.00 23.14 H new ATOM 0 HB3 TYR A 54 20.370 -13.690 16.674 1.00 23.14 H new ATOM 0 HD1 TYR A 54 18.748 -12.218 17.811 1.00 54.14 H new ATOM 0 HD2 TYR A 54 17.600 -16.093 16.460 1.00 72.51 H new ATOM 0 HE1 TYR A 54 16.727 -12.102 19.200 1.00 73.34 H new ATOM 0 HE2 TYR A 54 15.576 -15.979 17.845 1.00 45.01 H new ATOM 0 HH TYR A 54 14.379 -14.793 19.274 1.00 33.14 H new ATOM 826 N GLY A 55 21.169 -14.821 13.612 1.00 62.20 N ATOM 827 CA GLY A 55 22.430 -14.915 12.900 1.00 43.21 C ATOM 828 C GLY A 55 22.453 -16.062 11.909 1.00 52.41 C ATOM 829 O GLY A 55 22.201 -17.210 12.272 1.00 40.23 O ATOM 0 H GLY A 55 20.688 -15.710 13.750 1.00 62.20 H new ATOM 0 HA2 GLY A 55 22.616 -13.980 12.372 1.00 43.21 H new ATOM 0 HA3 GLY A 55 23.240 -15.043 13.618 1.00 43.21 H new ATOM 833 N GLY A 56 22.754 -15.750 10.652 1.00 51.12 N ATOM 834 CA GLY A 56 22.801 -16.774 9.624 1.00 13.25 C ATOM 835 C GLY A 56 23.555 -16.322 8.390 1.00 53.04 C ATOM 836 O GLY A 56 23.940 -15.158 8.281 1.00 52.34 O ATOM 0 H GLY A 56 22.966 -14.807 10.327 1.00 51.12 H new ATOM 0 HA2 GLY A 56 23.275 -17.669 10.028 1.00 13.25 H new ATOM 0 HA3 GLY A 56 21.784 -17.050 9.344 1.00 13.25 H new ATOM 840 N ARG A 57 23.768 -17.245 7.457 1.00 33.15 N ATOM 841 CA ARG A 57 24.483 -16.936 6.226 1.00 44.15 C ATOM 842 C ARG A 57 23.743 -15.874 5.418 1.00 13.23 C ATOM 843 O ARG A 57 22.712 -16.152 4.805 1.00 32.14 O ATOM 844 CB ARG A 57 24.661 -18.200 5.383 1.00 62.31 C ATOM 845 CG ARG A 57 25.362 -17.955 4.057 1.00 44.11 C ATOM 846 CD ARG A 57 24.670 -18.686 2.917 1.00 25.11 C ATOM 847 NE ARG A 57 25.314 -19.962 2.615 1.00 52.23 N ATOM 848 CZ ARG A 57 24.906 -20.780 1.651 1.00 21.32 C ATOM 849 NH1 ARG A 57 23.862 -20.458 0.900 1.00 0.34 N ATOM 850 NH2 ARG A 57 25.544 -21.924 1.437 1.00 74.22 N ATOM 0 H ARG A 57 23.455 -18.213 7.531 1.00 33.15 H new ATOM 0 HA ARG A 57 25.464 -16.545 6.495 1.00 44.15 H new ATOM 0 HB2 ARG A 57 25.231 -18.931 5.956 1.00 62.31 H new ATOM 0 HB3 ARG A 57 23.682 -18.639 5.191 1.00 62.31 H new ATOM 0 HG2 ARG A 57 25.381 -16.886 3.846 1.00 44.11 H new ATOM 0 HG3 ARG A 57 26.399 -18.285 4.126 1.00 44.11 H new ATOM 0 HD2 ARG A 57 23.626 -18.860 3.178 1.00 25.11 H new ATOM 0 HD3 ARG A 57 24.676 -18.057 2.027 1.00 25.11 H new ATOM 0 HE ARG A 57 26.120 -20.240 3.174 1.00 52.23 H new ATOM 0 HH11 ARG A 57 23.369 -19.580 1.061 1.00 0.34 H new ATOM 0 HH12 ARG A 57 23.552 -21.089 0.161 1.00 0.34 H new ATOM 0 HH21 ARG A 57 26.348 -22.175 2.013 1.00 74.22 H new ATOM 0 HH22 ARG A 57 25.231 -22.552 0.697 1.00 74.22 H new ATOM 864 N TYR A 58 24.275 -14.657 5.423 1.00 12.33 N ATOM 865 CA TYR A 58 23.663 -13.552 4.694 1.00 31.13 C ATOM 866 C TYR A 58 23.953 -13.658 3.200 1.00 31.42 C ATOM 867 O TYR A 58 25.055 -13.349 2.747 1.00 11.11 O ATOM 868 CB TYR A 58 24.175 -12.214 5.230 1.00 34.15 C ATOM 869 CG TYR A 58 23.819 -11.035 4.354 1.00 15.51 C ATOM 870 CD1 TYR A 58 22.560 -10.928 3.776 1.00 72.22 C ATOM 871 CD2 TYR A 58 24.741 -10.026 4.105 1.00 10.43 C ATOM 872 CE1 TYR A 58 22.231 -9.853 2.974 1.00 54.31 C ATOM 873 CE2 TYR A 58 24.420 -8.946 3.306 1.00 41.51 C ATOM 874 CZ TYR A 58 23.164 -8.864 2.742 1.00 11.11 C ATOM 875 OH TYR A 58 22.839 -7.790 1.945 1.00 64.10 O ATOM 0 H TYR A 58 25.129 -14.410 5.924 1.00 12.33 H new ATOM 0 HA TYR A 58 22.584 -13.606 4.841 1.00 31.13 H new ATOM 0 HB2 TYR A 58 23.766 -12.051 6.227 1.00 34.15 H new ATOM 0 HB3 TYR A 58 25.259 -12.265 5.334 1.00 34.15 H new ATOM 0 HD1 TYR A 58 21.826 -11.699 3.957 1.00 72.22 H new ATOM 0 HD2 TYR A 58 25.726 -10.087 4.544 1.00 10.43 H new ATOM 0 HE1 TYR A 58 21.248 -9.787 2.531 1.00 54.31 H new ATOM 0 HE2 TYR A 58 25.149 -8.170 3.124 1.00 41.51 H new ATOM 0 HH TYR A 58 23.607 -7.184 1.884 1.00 64.10 H new ATOM 885 N TRP A 59 22.956 -14.097 2.441 1.00 72.51 N ATOM 886 CA TRP A 59 23.102 -14.244 0.997 1.00 23.52 C ATOM 887 C TRP A 59 21.855 -13.753 0.271 1.00 62.14 C ATOM 888 O TRP A 59 20.808 -14.399 0.310 1.00 71.14 O ATOM 889 CB TRP A 59 23.374 -15.706 0.638 1.00 65.13 C ATOM 890 CG TRP A 59 22.892 -16.081 -0.731 1.00 11.11 C ATOM 891 CD1 TRP A 59 23.373 -15.621 -1.924 1.00 34.32 C ATOM 892 CD2 TRP A 59 21.833 -16.991 -1.047 1.00 21.43 C ATOM 893 NE1 TRP A 59 22.676 -16.191 -2.962 1.00 62.32 N ATOM 894 CE2 TRP A 59 21.727 -17.036 -2.451 1.00 21.23 C ATOM 895 CE3 TRP A 59 20.966 -17.775 -0.281 1.00 12.45 C ATOM 896 CZ2 TRP A 59 20.788 -17.832 -3.101 1.00 31.32 C ATOM 897 CZ3 TRP A 59 20.034 -18.564 -0.927 1.00 50.14 C ATOM 898 CH2 TRP A 59 19.951 -18.589 -2.326 1.00 3.31 C ATOM 0 H TRP A 59 22.038 -14.357 2.801 1.00 72.51 H new ATOM 0 HA TRP A 59 23.948 -13.635 0.678 1.00 23.52 H new ATOM 0 HB2 TRP A 59 24.445 -15.895 0.703 1.00 65.13 H new ATOM 0 HB3 TRP A 59 22.892 -16.349 1.374 1.00 65.13 H new ATOM 0 HD1 TRP A 59 24.182 -14.914 -2.035 1.00 34.32 H new ATOM 0 HE1 TRP A 59 22.839 -16.013 -3.953 1.00 62.32 H new ATOM 0 HE3 TRP A 59 21.024 -17.764 0.797 1.00 12.45 H new ATOM 0 HZ2 TRP A 59 20.722 -17.852 -4.179 1.00 31.32 H new ATOM 0 HZ3 TRP A 59 19.358 -19.172 -0.344 1.00 50.14 H new ATOM 0 HH2 TRP A 59 19.213 -19.217 -2.802 1.00 3.31 H new ATOM 909 N ASP A 60 21.974 -12.608 -0.391 1.00 43.54 N ATOM 910 CA ASP A 60 20.856 -12.030 -1.128 1.00 70.52 C ATOM 911 C ASP A 60 20.725 -12.671 -2.506 1.00 72.34 C ATOM 912 O ASP A 60 21.702 -13.170 -3.067 1.00 11.33 O ATOM 913 CB ASP A 60 21.037 -10.518 -1.270 1.00 61.43 C ATOM 914 CG ASP A 60 22.445 -10.140 -1.686 1.00 61.51 C ATOM 915 OD1 ASP A 60 23.331 -10.091 -0.807 1.00 13.23 O ATOM 916 OD2 ASP A 60 22.662 -9.895 -2.891 1.00 72.31 O ATOM 0 H ASP A 60 22.834 -12.061 -0.433 1.00 43.54 H new ATOM 0 HA ASP A 60 19.943 -12.227 -0.567 1.00 70.52 H new ATOM 0 HB2 ASP A 60 20.329 -10.138 -2.007 1.00 61.43 H new ATOM 0 HB3 ASP A 60 20.800 -10.036 -0.322 1.00 61.43 H new ATOM 921 N LEU A 61 19.512 -12.656 -3.047 1.00 55.32 N ATOM 922 CA LEU A 61 19.252 -13.236 -4.360 1.00 74.30 C ATOM 923 C LEU A 61 19.083 -12.146 -5.414 1.00 21.33 C ATOM 924 O LEU A 61 18.369 -11.167 -5.200 1.00 64.33 O ATOM 925 CB LEU A 61 17.999 -14.114 -4.313 1.00 4.44 C ATOM 926 CG LEU A 61 17.258 -14.298 -5.637 1.00 44.14 C ATOM 927 CD1 LEU A 61 18.133 -15.035 -6.640 1.00 51.41 C ATOM 928 CD2 LEU A 61 15.951 -15.044 -5.418 1.00 33.53 C ATOM 0 H LEU A 61 18.693 -12.248 -2.597 1.00 55.32 H new ATOM 0 HA LEU A 61 20.109 -13.851 -4.634 1.00 74.30 H new ATOM 0 HB2 LEU A 61 18.283 -15.098 -3.939 1.00 4.44 H new ATOM 0 HB3 LEU A 61 17.306 -13.685 -3.589 1.00 4.44 H new ATOM 0 HG LEU A 61 17.027 -13.313 -6.042 1.00 44.14 H new ATOM 0 HD11 LEU A 61 17.589 -15.157 -7.577 1.00 51.41 H new ATOM 0 HD12 LEU A 61 19.042 -14.461 -6.820 1.00 51.41 H new ATOM 0 HD13 LEU A 61 18.396 -16.015 -6.243 1.00 51.41 H new ATOM 0 HD21 LEU A 61 15.437 -15.166 -6.372 1.00 33.53 H new ATOM 0 HD22 LEU A 61 16.159 -16.025 -4.990 1.00 33.53 H new ATOM 0 HD23 LEU A 61 15.319 -14.477 -4.735 1.00 33.53 H new ATOM 940 N GLY A 62 19.744 -12.325 -6.554 1.00 2.24 N ATOM 941 CA GLY A 62 19.653 -11.350 -7.625 1.00 13.24 C ATOM 942 C GLY A 62 18.900 -11.880 -8.829 1.00 14.05 C ATOM 943 O GLY A 62 18.453 -13.027 -8.852 1.00 52.04 O ATOM 0 H GLY A 62 20.341 -13.128 -6.755 1.00 2.24 H new ATOM 0 HA2 GLY A 62 19.155 -10.454 -7.255 1.00 13.24 H new ATOM 0 HA3 GLY A 62 20.657 -11.055 -7.929 1.00 13.24 H new ATOM 947 N PRO A 63 18.748 -11.032 -9.857 1.00 65.41 N ATOM 948 CA PRO A 63 18.043 -11.400 -11.088 1.00 40.14 C ATOM 949 C PRO A 63 18.483 -12.758 -11.625 1.00 51.44 C ATOM 950 O PRO A 63 19.531 -12.876 -12.259 1.00 0.35 O ATOM 951 CB PRO A 63 18.431 -10.287 -12.065 1.00 64.22 C ATOM 952 CG PRO A 63 18.748 -9.117 -11.200 1.00 13.43 C ATOM 953 CD PRO A 63 19.255 -9.650 -9.897 1.00 61.44 C ATOM 0 HA PRO A 63 16.968 -11.492 -10.930 1.00 40.14 H new ATOM 0 HB2 PRO A 63 19.289 -10.575 -12.672 1.00 64.22 H new ATOM 0 HB3 PRO A 63 17.616 -10.062 -12.752 1.00 64.22 H new ATOM 0 HG2 PRO A 63 19.497 -8.482 -11.673 1.00 13.43 H new ATOM 0 HG3 PRO A 63 17.861 -8.503 -11.045 1.00 13.43 H new ATOM 0 HD2 PRO A 63 20.344 -9.623 -9.851 1.00 61.44 H new ATOM 0 HD3 PRO A 63 18.885 -9.065 -9.055 1.00 61.44 H new ATOM 961 N GLY A 64 17.674 -13.781 -11.368 1.00 72.14 N ATOM 962 CA GLY A 64 17.997 -15.117 -11.834 1.00 21.13 C ATOM 963 C GLY A 64 17.223 -16.191 -11.096 1.00 30.24 C ATOM 964 O GLY A 64 16.653 -15.936 -10.035 1.00 61.04 O ATOM 0 H GLY A 64 16.801 -13.709 -10.846 1.00 72.14 H new ATOM 0 HA2 GLY A 64 17.784 -15.188 -12.901 1.00 21.13 H new ATOM 0 HA3 GLY A 64 19.065 -15.293 -11.710 1.00 21.13 H new ATOM 968 N GLU A 65 17.201 -17.395 -11.658 1.00 62.45 N ATOM 969 CA GLU A 65 16.488 -18.511 -11.047 1.00 4.11 C ATOM 970 C GLU A 65 17.422 -19.697 -10.826 1.00 20.44 C ATOM 971 O GLU A 65 18.269 -20.000 -11.667 1.00 33.33 O ATOM 972 CB GLU A 65 15.308 -18.933 -11.924 1.00 61.34 C ATOM 973 CG GLU A 65 14.594 -20.179 -11.426 1.00 44.32 C ATOM 974 CD GLU A 65 14.841 -21.385 -12.311 1.00 35.41 C ATOM 975 OE1 GLU A 65 14.809 -21.230 -13.549 1.00 71.14 O ATOM 976 OE2 GLU A 65 15.065 -22.485 -11.764 1.00 20.52 O ATOM 0 H GLU A 65 17.669 -17.623 -12.535 1.00 62.45 H new ATOM 0 HA GLU A 65 16.111 -18.182 -10.079 1.00 4.11 H new ATOM 0 HB2 GLU A 65 14.593 -18.112 -11.977 1.00 61.34 H new ATOM 0 HB3 GLU A 65 15.665 -19.110 -12.938 1.00 61.34 H new ATOM 0 HG2 GLU A 65 14.926 -20.403 -10.412 1.00 44.32 H new ATOM 0 HG3 GLU A 65 13.523 -19.984 -11.375 1.00 44.32 H new ATOM 983 N TYR A 66 17.262 -20.365 -9.688 1.00 55.43 N ATOM 984 CA TYR A 66 18.091 -21.516 -9.354 1.00 3.00 C ATOM 985 C TYR A 66 17.264 -22.606 -8.678 1.00 44.35 C ATOM 986 O TYR A 66 16.345 -22.318 -7.912 1.00 42.21 O ATOM 987 CB TYR A 66 19.242 -21.093 -8.440 1.00 24.23 C ATOM 988 CG TYR A 66 18.881 -21.093 -6.972 1.00 12.34 C ATOM 989 CD1 TYR A 66 19.015 -22.242 -6.203 1.00 20.42 C ATOM 990 CD2 TYR A 66 18.404 -19.943 -6.353 1.00 61.45 C ATOM 991 CE1 TYR A 66 18.685 -22.247 -4.861 1.00 63.02 C ATOM 992 CE2 TYR A 66 18.073 -19.938 -5.012 1.00 64.43 C ATOM 993 CZ TYR A 66 18.215 -21.093 -4.270 1.00 44.45 C ATOM 994 OH TYR A 66 17.886 -21.092 -2.935 1.00 33.15 O ATOM 0 H TYR A 66 16.565 -20.128 -8.982 1.00 55.43 H new ATOM 0 HA TYR A 66 18.500 -21.918 -10.281 1.00 3.00 H new ATOM 0 HB2 TYR A 66 20.086 -21.765 -8.598 1.00 24.23 H new ATOM 0 HB3 TYR A 66 19.572 -20.094 -8.724 1.00 24.23 H new ATOM 0 HD1 TYR A 66 19.384 -23.147 -6.662 1.00 20.42 H new ATOM 0 HD2 TYR A 66 18.290 -19.038 -6.931 1.00 61.45 H new ATOM 0 HE1 TYR A 66 18.795 -23.150 -4.278 1.00 63.02 H new ATOM 0 HE2 TYR A 66 17.705 -19.035 -4.547 1.00 64.43 H new ATOM 0 HH TYR A 66 18.444 -21.743 -2.460 1.00 33.15 H new ATOM 1004 N SER A 67 17.599 -23.859 -8.969 1.00 1.13 N ATOM 1005 CA SER A 67 16.887 -24.993 -8.393 1.00 34.33 C ATOM 1006 C SER A 67 17.856 -25.955 -7.712 1.00 10.33 C ATOM 1007 O SER A 67 18.153 -27.029 -8.235 1.00 15.22 O ATOM 1008 CB SER A 67 16.097 -25.730 -9.476 1.00 72.02 C ATOM 1009 OG SER A 67 15.204 -26.671 -8.906 1.00 14.43 O ATOM 0 H SER A 67 18.359 -24.114 -9.600 1.00 1.13 H new ATOM 0 HA SER A 67 16.194 -24.611 -7.643 1.00 34.33 H new ATOM 0 HB2 SER A 67 15.538 -25.011 -10.076 1.00 72.02 H new ATOM 0 HB3 SER A 67 16.786 -26.240 -10.149 1.00 72.02 H new ATOM 0 HG SER A 67 14.710 -27.127 -9.619 1.00 14.43 H new ATOM 1015 N SER A 68 18.346 -25.560 -6.541 1.00 45.00 N ATOM 1016 CA SER A 68 19.286 -26.384 -5.789 1.00 14.22 C ATOM 1017 C SER A 68 18.545 -27.369 -4.890 1.00 72.54 C ATOM 1018 O SER A 68 17.375 -27.170 -4.562 1.00 3.11 O ATOM 1019 CB SER A 68 20.208 -25.502 -4.946 1.00 4.24 C ATOM 1020 OG SER A 68 20.915 -24.580 -5.758 1.00 13.25 O ATOM 0 H SER A 68 18.108 -24.675 -6.093 1.00 45.00 H new ATOM 0 HA SER A 68 19.887 -26.949 -6.501 1.00 14.22 H new ATOM 0 HB2 SER A 68 19.621 -24.962 -4.204 1.00 4.24 H new ATOM 0 HB3 SER A 68 20.915 -26.127 -4.400 1.00 4.24 H new ATOM 0 HG SER A 68 20.525 -23.687 -5.654 1.00 13.25 H new ATOM 1026 N VAL A 69 19.235 -28.435 -4.496 1.00 50.10 N ATOM 1027 CA VAL A 69 18.645 -29.452 -3.635 1.00 35.43 C ATOM 1028 C VAL A 69 19.707 -30.132 -2.779 1.00 24.22 C ATOM 1029 O VAL A 69 19.505 -31.242 -2.287 1.00 44.03 O ATOM 1030 CB VAL A 69 17.902 -30.522 -4.457 1.00 60.23 C ATOM 1031 CG1 VAL A 69 16.704 -29.912 -5.169 1.00 31.41 C ATOM 1032 CG2 VAL A 69 18.847 -31.179 -5.453 1.00 15.33 C ATOM 0 H VAL A 69 20.203 -28.616 -4.760 1.00 50.10 H new ATOM 0 HA VAL A 69 17.932 -28.942 -2.987 1.00 35.43 H new ATOM 0 HB VAL A 69 17.537 -31.290 -3.776 1.00 60.23 H new ATOM 0 HG11 VAL A 69 16.192 -30.683 -5.745 1.00 31.41 H new ATOM 0 HG12 VAL A 69 16.018 -29.493 -4.433 1.00 31.41 H new ATOM 0 HG13 VAL A 69 17.043 -29.123 -5.840 1.00 31.41 H new ATOM 0 HG21 VAL A 69 18.306 -31.932 -6.025 1.00 15.33 H new ATOM 0 HG22 VAL A 69 19.243 -30.423 -6.131 1.00 15.33 H new ATOM 0 HG23 VAL A 69 19.669 -31.652 -4.917 1.00 15.33 H new ATOM 1042 N GLU A 70 20.840 -29.458 -2.605 1.00 13.22 N ATOM 1043 CA GLU A 70 21.935 -29.998 -1.808 1.00 11.21 C ATOM 1044 C GLU A 70 23.105 -29.020 -1.758 1.00 64.04 C ATOM 1045 O GLU A 70 24.223 -29.352 -2.155 1.00 15.10 O ATOM 1046 CB GLU A 70 22.400 -31.338 -2.381 1.00 73.23 C ATOM 1047 CG GLU A 70 22.642 -31.307 -3.881 1.00 21.40 C ATOM 1048 CD GLU A 70 23.024 -32.665 -4.438 1.00 41.12 C ATOM 1049 OE1 GLU A 70 22.933 -33.661 -3.691 1.00 12.24 O ATOM 1050 OE2 GLU A 70 23.414 -32.731 -5.623 1.00 2.22 O ATOM 0 H GLU A 70 21.023 -28.538 -3.005 1.00 13.22 H new ATOM 0 HA GLU A 70 21.570 -30.153 -0.793 1.00 11.21 H new ATOM 0 HB2 GLU A 70 23.320 -31.639 -1.879 1.00 73.23 H new ATOM 0 HB3 GLU A 70 21.652 -32.098 -2.158 1.00 73.23 H new ATOM 0 HG2 GLU A 70 21.742 -30.952 -4.383 1.00 21.40 H new ATOM 0 HG3 GLU A 70 23.434 -30.591 -4.103 1.00 21.40 H new ATOM 1057 N SER A 71 22.840 -27.813 -1.269 1.00 43.01 N ATOM 1058 CA SER A 71 23.870 -26.785 -1.171 1.00 54.34 C ATOM 1059 C SER A 71 23.302 -25.504 -0.567 1.00 42.21 C ATOM 1060 O SER A 71 23.878 -24.933 0.358 1.00 5.13 O ATOM 1061 CB SER A 71 24.461 -26.492 -2.552 1.00 30.52 C ATOM 1062 OG SER A 71 25.823 -26.880 -2.616 1.00 35.03 O ATOM 0 H SER A 71 21.921 -27.523 -0.935 1.00 43.01 H new ATOM 0 HA SER A 71 24.659 -27.157 -0.517 1.00 54.34 H new ATOM 0 HB2 SER A 71 23.892 -27.023 -3.315 1.00 30.52 H new ATOM 0 HB3 SER A 71 24.372 -25.428 -2.771 1.00 30.52 H new ATOM 0 HG SER A 71 25.893 -27.850 -2.492 1.00 35.03 H new ATOM 1068 N ALA A 72 22.168 -25.058 -1.098 1.00 63.31 N ATOM 1069 CA ALA A 72 21.521 -23.847 -0.611 1.00 10.40 C ATOM 1070 C ALA A 72 21.339 -23.892 0.902 1.00 2.34 C ATOM 1071 O ALA A 72 21.885 -23.062 1.628 1.00 2.20 O ATOM 1072 CB ALA A 72 20.179 -23.652 -1.300 1.00 54.22 C ATOM 0 H ALA A 72 21.679 -25.518 -1.866 1.00 63.31 H new ATOM 0 HA ALA A 72 22.165 -23.000 -0.848 1.00 10.40 H new ATOM 0 HB1 ALA A 72 19.707 -22.743 -0.926 1.00 54.22 H new ATOM 0 HB2 ALA A 72 20.331 -23.566 -2.376 1.00 54.22 H new ATOM 0 HB3 ALA A 72 19.536 -24.507 -1.092 1.00 54.22 H new ATOM 1078 N GLY A 73 20.567 -24.867 1.372 1.00 1.04 N ATOM 1079 CA GLY A 73 20.327 -25.001 2.797 1.00 35.22 C ATOM 1080 C GLY A 73 19.746 -26.353 3.162 1.00 23.14 C ATOM 1081 O GLY A 73 18.527 -26.522 3.203 1.00 63.11 O ATOM 0 H GLY A 73 20.104 -25.566 0.792 1.00 1.04 H new ATOM 0 HA2 GLY A 73 21.263 -24.854 3.336 1.00 35.22 H new ATOM 0 HA3 GLY A 73 19.645 -24.216 3.123 1.00 35.22 H new ATOM 1085 N ILE A 74 20.620 -27.318 3.427 1.00 23.23 N ATOM 1086 CA ILE A 74 20.187 -28.662 3.790 1.00 2.10 C ATOM 1087 C ILE A 74 20.932 -29.166 5.021 1.00 3.03 C ATOM 1088 O ILE A 74 21.729 -30.103 4.955 1.00 14.44 O ATOM 1089 CB ILE A 74 20.402 -29.654 2.632 1.00 34.40 C ATOM 1090 CG1 ILE A 74 19.912 -29.049 1.315 1.00 13.31 C ATOM 1091 CG2 ILE A 74 19.684 -30.965 2.918 1.00 52.10 C ATOM 1092 CD1 ILE A 74 18.426 -28.765 1.296 1.00 70.50 C ATOM 0 H ILE A 74 21.632 -27.194 3.397 1.00 23.23 H new ATOM 0 HA ILE A 74 19.122 -28.601 4.013 1.00 2.10 H new ATOM 0 HB ILE A 74 21.469 -29.858 2.541 1.00 34.40 H new ATOM 0 HG12 ILE A 74 20.453 -28.122 1.127 1.00 13.31 H new ATOM 0 HG13 ILE A 74 20.154 -29.730 0.499 1.00 13.31 H new ATOM 0 HG21 ILE A 74 19.845 -31.656 2.091 1.00 52.10 H new ATOM 0 HG22 ILE A 74 20.076 -31.401 3.837 1.00 52.10 H new ATOM 0 HG23 ILE A 74 18.616 -30.778 3.032 1.00 52.10 H new ATOM 0 HD11 ILE A 74 18.150 -28.338 0.332 1.00 70.50 H new ATOM 0 HD12 ILE A 74 17.876 -29.693 1.452 1.00 70.50 H new ATOM 0 HD13 ILE A 74 18.180 -28.059 2.090 1.00 70.50 H new ATOM 1104 N PRO A 75 20.668 -28.532 6.174 1.00 71.35 N ATOM 1105 CA PRO A 75 21.301 -28.901 7.443 1.00 3.11 C ATOM 1106 C PRO A 75 20.641 -30.114 8.090 1.00 43.04 C ATOM 1107 O PRO A 75 21.314 -31.082 8.446 1.00 15.34 O ATOM 1108 CB PRO A 75 21.103 -27.657 8.313 1.00 74.11 C ATOM 1109 CG PRO A 75 19.907 -26.980 7.738 1.00 54.10 C ATOM 1110 CD PRO A 75 19.730 -27.408 6.326 1.00 53.52 C ATOM 0 HA PRO A 75 22.345 -29.184 7.310 1.00 3.11 H new ATOM 0 HB2 PRO A 75 20.942 -27.925 9.357 1.00 74.11 H new ATOM 0 HB3 PRO A 75 21.978 -27.008 8.282 1.00 74.11 H new ATOM 0 HG2 PRO A 75 19.019 -27.230 8.319 1.00 54.10 H new ATOM 0 HG3 PRO A 75 20.028 -25.898 7.789 1.00 54.10 H new ATOM 0 HD2 PRO A 75 18.703 -27.716 6.128 1.00 53.52 H new ATOM 0 HD3 PRO A 75 19.960 -26.600 5.632 1.00 53.52 H new ATOM 1118 N ASP A 76 19.322 -30.056 8.237 1.00 44.41 N ATOM 1119 CA ASP A 76 18.571 -31.151 8.839 1.00 1.33 C ATOM 1120 C ASP A 76 17.082 -30.825 8.889 1.00 34.12 C ATOM 1121 O ASP A 76 16.238 -31.709 8.748 1.00 20.32 O ATOM 1122 CB ASP A 76 19.090 -31.439 10.249 1.00 63.02 C ATOM 1123 CG ASP A 76 19.661 -32.837 10.381 1.00 71.42 C ATOM 1124 OD1 ASP A 76 19.048 -33.781 9.840 1.00 61.22 O ATOM 1125 OD2 ASP A 76 20.720 -32.988 11.026 1.00 72.01 O ATOM 0 H ASP A 76 18.751 -29.262 7.947 1.00 44.41 H new ATOM 0 HA ASP A 76 18.710 -32.038 8.221 1.00 1.33 H new ATOM 0 HB2 ASP A 76 19.858 -30.710 10.506 1.00 63.02 H new ATOM 0 HB3 ASP A 76 18.278 -31.312 10.965 1.00 63.02 H new ATOM 1130 N ASN A 77 16.766 -29.550 9.092 1.00 43.13 N ATOM 1131 CA ASN A 77 15.378 -29.108 9.162 1.00 4.40 C ATOM 1132 C ASN A 77 15.202 -27.758 8.473 1.00 71.03 C ATOM 1133 O ASN A 77 16.146 -27.214 7.900 1.00 11.31 O ATOM 1134 CB ASN A 77 14.925 -29.011 10.620 1.00 23.13 C ATOM 1135 CG ASN A 77 15.896 -28.220 11.476 1.00 14.10 C ATOM 1136 OD1 ASN A 77 16.630 -27.368 10.975 1.00 22.33 O ATOM 1137 ND2 ASN A 77 15.902 -28.499 12.774 1.00 4.23 N ATOM 0 H ASN A 77 17.452 -28.805 9.211 1.00 43.13 H new ATOM 0 HA ASN A 77 14.762 -29.844 8.645 1.00 4.40 H new ATOM 0 HB2 ASN A 77 13.942 -28.541 10.662 1.00 23.13 H new ATOM 0 HB3 ASN A 77 14.816 -30.015 11.031 1.00 23.13 H new ATOM 0 HD21 ASN A 77 16.533 -27.999 13.400 1.00 4.23 H new ATOM 0 HD22 ASN A 77 15.276 -29.214 13.145 1.00 4.23 H new ATOM 1144 N SER A 78 13.986 -27.224 8.533 1.00 44.54 N ATOM 1145 CA SER A 78 13.685 -25.939 7.912 1.00 73.14 C ATOM 1146 C SER A 78 13.750 -24.811 8.937 1.00 35.31 C ATOM 1147 O SER A 78 12.915 -24.730 9.839 1.00 4.52 O ATOM 1148 CB SER A 78 12.300 -25.975 7.263 1.00 35.11 C ATOM 1149 OG SER A 78 11.595 -24.768 7.498 1.00 31.20 O ATOM 0 H SER A 78 13.194 -27.661 9.005 1.00 44.54 H new ATOM 0 HA SER A 78 14.434 -25.751 7.143 1.00 73.14 H new ATOM 0 HB2 SER A 78 12.402 -26.137 6.190 1.00 35.11 H new ATOM 0 HB3 SER A 78 11.731 -26.816 7.660 1.00 35.11 H new ATOM 0 HG SER A 78 10.714 -24.816 7.072 1.00 31.20 H new ATOM 1155 N ILE A 79 14.746 -23.944 8.791 1.00 32.44 N ATOM 1156 CA ILE A 79 14.920 -22.821 9.704 1.00 54.25 C ATOM 1157 C ILE A 79 15.382 -21.574 8.958 1.00 40.33 C ATOM 1158 O ILE A 79 15.777 -20.582 9.571 1.00 65.23 O ATOM 1159 CB ILE A 79 15.936 -23.148 10.813 1.00 63.30 C ATOM 1160 CG1 ILE A 79 17.365 -22.997 10.286 1.00 30.44 C ATOM 1161 CG2 ILE A 79 15.707 -24.556 11.343 1.00 42.04 C ATOM 1162 CD1 ILE A 79 17.663 -23.873 9.089 1.00 3.52 C ATOM 0 H ILE A 79 15.444 -23.997 8.050 1.00 32.44 H new ATOM 0 HA ILE A 79 13.948 -22.631 10.159 1.00 54.25 H new ATOM 0 HB ILE A 79 15.795 -22.445 11.634 1.00 63.30 H new ATOM 0 HG12 ILE A 79 17.536 -21.955 10.015 1.00 30.44 H new ATOM 0 HG13 ILE A 79 18.066 -23.237 11.085 1.00 30.44 H new ATOM 0 HG21 ILE A 79 16.433 -24.772 12.127 1.00 42.04 H new ATOM 0 HG22 ILE A 79 14.699 -24.632 11.751 1.00 42.04 H new ATOM 0 HG23 ILE A 79 15.824 -25.274 10.531 1.00 42.04 H new ATOM 0 HD11 ILE A 79 18.693 -23.714 8.769 1.00 3.52 H new ATOM 0 HD12 ILE A 79 17.525 -24.920 9.361 1.00 3.52 H new ATOM 0 HD13 ILE A 79 16.986 -23.617 8.274 1.00 3.52 H new ATOM 1174 N SER A 80 15.328 -21.630 7.631 1.00 72.22 N ATOM 1175 CA SER A 80 15.743 -20.506 6.800 1.00 11.12 C ATOM 1176 C SER A 80 14.614 -19.490 6.658 1.00 51.40 C ATOM 1177 O SER A 80 13.478 -19.747 7.058 1.00 45.42 O ATOM 1178 CB SER A 80 16.178 -20.998 5.419 1.00 61.33 C ATOM 1179 OG SER A 80 15.231 -21.903 4.878 1.00 52.10 O ATOM 0 H SER A 80 15.001 -22.442 7.108 1.00 72.22 H new ATOM 0 HA SER A 80 16.588 -20.019 7.287 1.00 11.12 H new ATOM 0 HB2 SER A 80 16.298 -20.148 4.748 1.00 61.33 H new ATOM 0 HB3 SER A 80 17.150 -21.485 5.493 1.00 61.33 H new ATOM 0 HG SER A 80 15.445 -22.078 3.938 1.00 52.10 H new ATOM 1185 N SER A 81 14.935 -18.334 6.085 1.00 3.13 N ATOM 1186 CA SER A 81 13.950 -17.276 5.893 1.00 21.10 C ATOM 1187 C SER A 81 14.467 -16.223 4.918 1.00 43.21 C ATOM 1188 O SER A 81 15.675 -16.021 4.787 1.00 73.01 O ATOM 1189 CB SER A 81 13.605 -16.622 7.232 1.00 1.13 C ATOM 1190 OG SER A 81 12.204 -16.463 7.376 1.00 23.24 O ATOM 0 H SER A 81 15.870 -18.107 5.746 1.00 3.13 H new ATOM 0 HA SER A 81 13.049 -17.724 5.473 1.00 21.10 H new ATOM 0 HB2 SER A 81 13.991 -17.232 8.049 1.00 1.13 H new ATOM 0 HB3 SER A 81 14.094 -15.650 7.302 1.00 1.13 H new ATOM 0 HG SER A 81 12.009 -16.045 8.241 1.00 23.24 H new ATOM 1196 N PHE A 82 13.544 -15.554 4.235 1.00 1.32 N ATOM 1197 CA PHE A 82 13.905 -14.521 3.271 1.00 62.44 C ATOM 1198 C PHE A 82 12.817 -13.456 3.181 1.00 14.23 C ATOM 1199 O PHE A 82 11.626 -13.767 3.205 1.00 54.40 O ATOM 1200 CB PHE A 82 14.142 -15.142 1.892 1.00 14.21 C ATOM 1201 CG PHE A 82 12.874 -15.438 1.142 1.00 1.55 C ATOM 1202 CD1 PHE A 82 11.886 -16.227 1.710 1.00 43.45 C ATOM 1203 CD2 PHE A 82 12.670 -14.926 -0.129 1.00 22.11 C ATOM 1204 CE1 PHE A 82 10.720 -16.501 1.021 1.00 15.24 C ATOM 1205 CE2 PHE A 82 11.505 -15.197 -0.822 1.00 1.43 C ATOM 1206 CZ PHE A 82 10.528 -15.984 -0.245 1.00 61.22 C ATOM 0 H PHE A 82 12.540 -15.709 4.331 1.00 1.32 H new ATOM 0 HA PHE A 82 14.825 -14.046 3.612 1.00 62.44 H new ATOM 0 HB2 PHE A 82 14.756 -14.465 1.298 1.00 14.21 H new ATOM 0 HB3 PHE A 82 14.709 -16.066 2.011 1.00 14.21 H new ATOM 0 HD1 PHE A 82 12.029 -16.632 2.701 1.00 43.45 H new ATOM 0 HD2 PHE A 82 13.430 -14.308 -0.584 1.00 22.11 H new ATOM 0 HE1 PHE A 82 9.959 -17.120 1.473 1.00 15.24 H new ATOM 0 HE2 PHE A 82 11.359 -14.794 -1.813 1.00 1.43 H new ATOM 0 HZ PHE A 82 9.615 -16.195 -0.783 1.00 61.22 H new ATOM 1216 N ARG A 83 13.235 -12.198 3.079 1.00 33.52 N ATOM 1217 CA ARG A 83 12.296 -11.086 2.988 1.00 24.32 C ATOM 1218 C ARG A 83 12.308 -10.478 1.589 1.00 70.43 C ATOM 1219 O ARG A 83 13.369 -10.178 1.042 1.00 54.23 O ATOM 1220 CB ARG A 83 12.641 -10.015 4.024 1.00 13.33 C ATOM 1221 CG ARG A 83 12.539 -10.501 5.461 1.00 62.44 C ATOM 1222 CD ARG A 83 11.092 -10.585 5.919 1.00 32.34 C ATOM 1223 NE ARG A 83 10.925 -10.115 7.292 1.00 33.41 N ATOM 1224 CZ ARG A 83 9.742 -9.897 7.855 1.00 35.22 C ATOM 1225 NH1 ARG A 83 8.628 -10.106 7.167 1.00 14.21 N ATOM 1226 NH2 ARG A 83 9.671 -9.470 9.109 1.00 1.24 N ATOM 0 H ARG A 83 14.217 -11.924 3.057 1.00 33.52 H new ATOM 0 HA ARG A 83 11.296 -11.469 3.190 1.00 24.32 H new ATOM 0 HB2 ARG A 83 13.655 -9.658 3.841 1.00 13.33 H new ATOM 0 HB3 ARG A 83 11.974 -9.163 3.889 1.00 13.33 H new ATOM 0 HG2 ARG A 83 13.007 -11.481 5.549 1.00 62.44 H new ATOM 0 HG3 ARG A 83 13.090 -9.825 6.115 1.00 62.44 H new ATOM 0 HD2 ARG A 83 10.466 -9.991 5.254 1.00 32.34 H new ATOM 0 HD3 ARG A 83 10.747 -11.616 5.844 1.00 32.34 H new ATOM 0 HE ARG A 83 11.763 -9.945 7.849 1.00 33.41 H new ATOM 0 HH11 ARG A 83 8.678 -10.435 6.203 1.00 14.21 H new ATOM 0 HH12 ARG A 83 7.721 -9.938 7.602 1.00 14.21 H new ATOM 0 HH21 ARG A 83 10.526 -9.309 9.642 1.00 1.24 H new ATOM 0 HH22 ARG A 83 8.762 -9.303 9.540 1.00 1.24 H new ATOM 1240 N GLN A 84 11.122 -10.301 1.016 1.00 34.23 N ATOM 1241 CA GLN A 84 10.996 -9.730 -0.320 1.00 22.54 C ATOM 1242 C GLN A 84 10.886 -8.211 -0.254 1.00 42.32 C ATOM 1243 O GLN A 84 10.097 -7.669 0.520 1.00 54.11 O ATOM 1244 CB GLN A 84 9.774 -10.312 -1.033 1.00 3.11 C ATOM 1245 CG GLN A 84 9.688 -11.827 -0.954 1.00 35.55 C ATOM 1246 CD GLN A 84 8.443 -12.304 -0.231 1.00 12.30 C ATOM 1247 OE1 GLN A 84 7.327 -11.904 -0.564 1.00 14.03 O ATOM 1248 NE2 GLN A 84 8.628 -13.163 0.764 1.00 10.14 N ATOM 0 H GLN A 84 10.235 -10.545 1.456 1.00 34.23 H new ATOM 0 HA GLN A 84 11.893 -9.987 -0.884 1.00 22.54 H new ATOM 0 HB2 GLN A 84 8.871 -9.882 -0.599 1.00 3.11 H new ATOM 0 HB3 GLN A 84 9.798 -10.012 -2.081 1.00 3.11 H new ATOM 0 HG2 GLN A 84 9.699 -12.241 -1.962 1.00 35.55 H new ATOM 0 HG3 GLN A 84 10.570 -12.211 -0.442 1.00 35.55 H new ATOM 0 HE21 GLN A 84 9.571 -13.468 1.006 1.00 10.14 H new ATOM 0 HE22 GLN A 84 7.827 -13.518 1.287 1.00 10.14 H new ATOM 1257 N ILE A 85 11.683 -7.529 -1.071 1.00 34.24 N ATOM 1258 CA ILE A 85 11.674 -6.072 -1.105 1.00 54.04 C ATOM 1259 C ILE A 85 11.536 -5.557 -2.534 1.00 72.01 C ATOM 1260 O ILE A 85 12.470 -5.647 -3.331 1.00 20.33 O ATOM 1261 CB ILE A 85 12.954 -5.486 -0.482 1.00 21.03 C ATOM 1262 CG1 ILE A 85 14.161 -6.362 -0.824 1.00 20.15 C ATOM 1263 CG2 ILE A 85 12.797 -5.356 1.026 1.00 42.10 C ATOM 1264 CD1 ILE A 85 15.476 -5.799 -0.331 1.00 15.23 C ATOM 0 H ILE A 85 12.342 -7.962 -1.717 1.00 34.24 H new ATOM 0 HA ILE A 85 10.814 -5.748 -0.519 1.00 54.04 H new ATOM 0 HB ILE A 85 13.121 -4.492 -0.897 1.00 21.03 H new ATOM 0 HG12 ILE A 85 14.015 -7.352 -0.393 1.00 20.15 H new ATOM 0 HG13 ILE A 85 14.212 -6.490 -1.905 1.00 20.15 H new ATOM 0 HG21 ILE A 85 13.710 -4.940 1.452 1.00 42.10 H new ATOM 0 HG22 ILE A 85 11.959 -4.696 1.249 1.00 42.10 H new ATOM 0 HG23 ILE A 85 12.609 -6.339 1.458 1.00 42.10 H new ATOM 0 HD11 ILE A 85 16.287 -6.472 -0.609 1.00 15.23 H new ATOM 0 HD12 ILE A 85 15.645 -4.821 -0.782 1.00 15.23 H new ATOM 0 HD13 ILE A 85 15.444 -5.697 0.754 1.00 15.23 H new