USER MOD reduce.3.24.130724 H: found=0, std=0, add=515, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 516 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 Single : A 40 ASN : amide:sc= -2.79! C(o=-2.8!,f=-6.2!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 TYR OH : rot 180:sc= -0.509 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 MET CE :methyl -155:sc= -0.461 (180deg=-2.25!) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot -62:sc= 0.112 USER MOD Single : A 59 SER OG : rot 48:sc= -1.48! USER MOD Single : A 63 ASN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 MET CE :methyl 153:sc= -0.28 (180deg=-2.62!) USER MOD Single : A 74 ASN : amide:sc= -0.0101 K(o=-0.01,f=-1.4!) USER MOD Single : A 75 CYS SG : rot 180:sc= -4.82! USER MOD Single : A 79 THR OG1 : rot 94:sc= 0.0616 USER MOD Single : A 80 TYR OH : rot -26:sc= -6.17! USER MOD Single : A 82 LYS NZ :NH3+ 159:sc= -0.454 (180deg=-1.43!) USER MOD Single : A 83 MET CE :methyl -153:sc= -0.15 (180deg=-1.21) USER MOD Single : A 85 SER OG : rot 180:sc= -0.0299 USER MOD Single : A 88 GLN : amide:sc= -0.117 X(o=-0.12,f=-0.54) USER MOD Single : A 94 ASN : amide:sc= -0.0806 K(o=-0.081,f=-3.2!) USER MOD Single : A 96 THR OG1 : rot -100:sc= 0.476 USER MOD Single : A 97 GLN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 100 SER OG : rot 180:sc= -0.387 USER MOD Single : A 102 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 ASN : amide:sc= -1.35 K(o=-1.4,f=-2.5!) USER MOD ----------------------------------------------------------------- ATOM 78 N ASN A 40 -39.613 3.919 2.445 1.00 0.00 N ATOM 79 CA ASN A 40 -38.245 4.440 2.169 1.00 0.00 C ATOM 80 C ASN A 40 -37.980 4.407 0.663 1.00 0.00 C ATOM 81 O ASN A 40 -37.521 3.419 0.125 1.00 0.00 O ATOM 82 CB ASN A 40 -37.212 3.570 2.888 1.00 0.00 C ATOM 83 CG ASN A 40 -35.846 4.255 2.837 1.00 0.00 C ATOM 84 OD1 ASN A 40 -34.994 3.882 2.056 1.00 0.00 O ATOM 85 ND2 ASN A 40 -35.600 5.252 3.644 1.00 0.00 N ATOM 0 HA ASN A 40 -38.169 5.466 2.529 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -37.512 3.410 3.924 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -37.156 2.588 2.417 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -34.693 5.717 3.618 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -36.315 5.566 4.300 1.00 0.00 H new ATOM 92 N THR A 41 -38.270 5.479 -0.023 1.00 0.00 N ATOM 93 CA THR A 41 -38.037 5.508 -1.494 1.00 0.00 C ATOM 94 C THR A 41 -36.608 5.976 -1.777 1.00 0.00 C ATOM 95 O THR A 41 -36.102 6.880 -1.142 1.00 0.00 O ATOM 96 CB THR A 41 -39.028 6.475 -2.146 1.00 0.00 C ATOM 97 OG1 THR A 41 -40.352 6.099 -1.795 1.00 0.00 O ATOM 98 CG2 THR A 41 -38.869 6.427 -3.666 1.00 0.00 C ATOM 0 H THR A 41 -38.658 6.336 0.372 1.00 0.00 H new ATOM 0 HA THR A 41 -38.179 4.508 -1.904 1.00 0.00 H new ATOM 0 HB THR A 41 -38.831 7.488 -1.796 1.00 0.00 H new ATOM 0 HG1 THR A 41 -40.989 6.718 -2.210 1.00 0.00 H new ATOM 0 HG21 THR A 41 -39.576 7.116 -4.128 1.00 0.00 H new ATOM 0 HG22 THR A 41 -37.853 6.715 -3.935 1.00 0.00 H new ATOM 0 HG23 THR A 41 -39.065 5.415 -4.021 1.00 0.00 H new ATOM 106 N LEU A 42 -35.953 5.368 -2.728 1.00 0.00 N ATOM 107 CA LEU A 42 -34.558 5.777 -3.052 1.00 0.00 C ATOM 108 C LEU A 42 -34.535 6.462 -4.419 1.00 0.00 C ATOM 109 O LEU A 42 -35.228 6.065 -5.334 1.00 0.00 O ATOM 110 CB LEU A 42 -33.661 4.540 -3.093 1.00 0.00 C ATOM 111 CG LEU A 42 -33.663 3.864 -1.721 1.00 0.00 C ATOM 112 CD1 LEU A 42 -34.755 2.794 -1.681 1.00 0.00 C ATOM 113 CD2 LEU A 42 -32.301 3.213 -1.473 1.00 0.00 C ATOM 0 H LEU A 42 -36.324 4.605 -3.295 1.00 0.00 H new ATOM 0 HA LEU A 42 -34.195 6.466 -2.290 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -34.016 3.845 -3.853 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -32.645 4.823 -3.370 1.00 0.00 H new ATOM 0 HG LEU A 42 -33.857 4.608 -0.949 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -34.757 2.312 -0.703 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -35.725 3.258 -1.859 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -34.562 2.049 -2.453 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -32.301 2.731 -0.495 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -32.108 2.468 -2.245 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -31.523 3.976 -1.502 1.00 0.00 H new ATOM 125 N TYR A 43 -33.742 7.487 -4.567 1.00 0.00 N ATOM 126 CA TYR A 43 -33.676 8.191 -5.878 1.00 0.00 C ATOM 127 C TYR A 43 -32.506 7.636 -6.693 1.00 0.00 C ATOM 128 O TYR A 43 -31.360 7.747 -6.306 1.00 0.00 O ATOM 129 CB TYR A 43 -33.472 9.689 -5.645 1.00 0.00 C ATOM 130 CG TYR A 43 -33.432 10.403 -6.974 1.00 0.00 C ATOM 131 CD1 TYR A 43 -34.619 10.858 -7.560 1.00 0.00 C ATOM 132 CD2 TYR A 43 -32.208 10.608 -7.621 1.00 0.00 C ATOM 133 CE1 TYR A 43 -34.582 11.519 -8.793 1.00 0.00 C ATOM 134 CE2 TYR A 43 -32.171 11.270 -8.855 1.00 0.00 C ATOM 135 CZ TYR A 43 -33.358 11.725 -9.441 1.00 0.00 C ATOM 136 OH TYR A 43 -33.321 12.377 -10.657 1.00 0.00 O ATOM 0 H TYR A 43 -33.138 7.867 -3.838 1.00 0.00 H new ATOM 0 HA TYR A 43 -34.607 8.034 -6.423 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -34.280 10.086 -5.031 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -32.544 9.860 -5.100 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -35.563 10.699 -7.061 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -31.292 10.256 -7.169 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -35.498 11.870 -9.245 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -31.227 11.429 -9.354 1.00 0.00 H new ATOM 0 HH TYR A 43 -32.394 12.437 -10.968 1.00 0.00 H new ATOM 146 N VAL A 44 -32.786 7.040 -7.819 1.00 0.00 N ATOM 147 CA VAL A 44 -31.689 6.478 -8.656 1.00 0.00 C ATOM 148 C VAL A 44 -31.618 7.237 -9.983 1.00 0.00 C ATOM 149 O VAL A 44 -32.618 7.474 -10.629 1.00 0.00 O ATOM 150 CB VAL A 44 -31.964 4.998 -8.930 1.00 0.00 C ATOM 151 CG1 VAL A 44 -30.816 4.410 -9.752 1.00 0.00 C ATOM 152 CG2 VAL A 44 -32.076 4.247 -7.601 1.00 0.00 C ATOM 0 H VAL A 44 -33.726 6.918 -8.195 1.00 0.00 H new ATOM 0 HA VAL A 44 -30.741 6.581 -8.128 1.00 0.00 H new ATOM 0 HB VAL A 44 -32.897 4.898 -9.485 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -31.011 3.356 -9.948 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -30.734 4.945 -10.698 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -29.883 4.509 -9.197 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -32.272 3.192 -7.794 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -31.143 4.347 -7.047 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -32.893 4.666 -7.014 1.00 0.00 H new ATOM 162 N TYR A 45 -30.439 7.621 -10.393 1.00 0.00 N ATOM 163 CA TYR A 45 -30.301 8.364 -11.677 1.00 0.00 C ATOM 164 C TYR A 45 -29.333 7.617 -12.595 1.00 0.00 C ATOM 165 O TYR A 45 -28.361 7.039 -12.149 1.00 0.00 O ATOM 166 CB TYR A 45 -29.760 9.768 -11.397 1.00 0.00 C ATOM 167 CG TYR A 45 -29.705 10.552 -12.686 1.00 0.00 C ATOM 168 CD1 TYR A 45 -30.858 11.179 -13.173 1.00 0.00 C ATOM 169 CD2 TYR A 45 -28.502 10.652 -13.396 1.00 0.00 C ATOM 170 CE1 TYR A 45 -30.808 11.906 -14.368 1.00 0.00 C ATOM 171 CE2 TYR A 45 -28.452 11.378 -14.591 1.00 0.00 C ATOM 172 CZ TYR A 45 -29.605 12.005 -15.078 1.00 0.00 C ATOM 173 OH TYR A 45 -29.556 12.722 -16.256 1.00 0.00 O ATOM 0 H TYR A 45 -29.566 7.452 -9.894 1.00 0.00 H new ATOM 0 HA TYR A 45 -31.275 8.440 -12.161 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -30.398 10.278 -10.675 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -28.766 9.705 -10.955 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -31.786 11.102 -12.627 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -27.612 10.168 -13.021 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -31.697 12.391 -14.743 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -27.524 11.455 -15.138 1.00 0.00 H new ATOM 0 HH TYR A 45 -28.647 12.691 -16.620 1.00 0.00 H new ATOM 183 N GLY A 46 -29.588 7.623 -13.875 1.00 0.00 N ATOM 184 CA GLY A 46 -28.680 6.912 -14.819 1.00 0.00 C ATOM 185 C GLY A 46 -29.287 6.927 -16.223 1.00 0.00 C ATOM 186 O GLY A 46 -30.312 7.536 -16.460 1.00 0.00 O ATOM 0 H GLY A 46 -30.385 8.089 -14.308 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -27.701 7.392 -14.830 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -28.527 5.885 -14.489 1.00 0.00 H new ATOM 190 N GLU A 47 -28.662 6.263 -17.156 1.00 0.00 N ATOM 191 CA GLU A 47 -29.203 6.240 -18.545 1.00 0.00 C ATOM 192 C GLU A 47 -29.478 4.794 -18.962 1.00 0.00 C ATOM 193 O GLU A 47 -28.936 3.862 -18.399 1.00 0.00 O ATOM 194 CB GLU A 47 -28.182 6.860 -19.501 1.00 0.00 C ATOM 195 CG GLU A 47 -27.996 8.340 -19.161 1.00 0.00 C ATOM 196 CD GLU A 47 -27.112 9.000 -20.220 1.00 0.00 C ATOM 197 OE1 GLU A 47 -26.577 8.280 -21.049 1.00 0.00 O ATOM 198 OE2 GLU A 47 -26.981 10.212 -20.185 1.00 0.00 O ATOM 0 H GLU A 47 -27.800 5.735 -17.017 1.00 0.00 H new ATOM 0 HA GLU A 47 -30.130 6.812 -18.582 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -27.230 6.336 -19.423 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -28.521 6.753 -20.531 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -28.964 8.839 -19.118 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -27.541 8.443 -18.176 1.00 0.00 H new ATOM 205 N ASP A 48 -30.316 4.598 -19.943 1.00 0.00 N ATOM 206 CA ASP A 48 -30.625 3.211 -20.395 1.00 0.00 C ATOM 207 C ASP A 48 -30.833 2.311 -19.175 1.00 0.00 C ATOM 208 O ASP A 48 -30.185 1.294 -19.026 1.00 0.00 O ATOM 209 CB ASP A 48 -29.461 2.675 -21.230 1.00 0.00 C ATOM 210 CG ASP A 48 -29.306 3.524 -22.494 1.00 0.00 C ATOM 211 OD1 ASP A 48 -30.252 4.211 -22.842 1.00 0.00 O ATOM 212 OD2 ASP A 48 -28.244 3.472 -23.092 1.00 0.00 O ATOM 0 H ASP A 48 -30.800 5.338 -20.451 1.00 0.00 H new ATOM 0 HA ASP A 48 -31.532 3.220 -20.999 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -28.540 2.700 -20.647 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -29.641 1.634 -21.498 1.00 0.00 H new ATOM 217 N MET A 49 -31.731 2.676 -18.302 1.00 0.00 N ATOM 218 CA MET A 49 -31.978 1.839 -17.094 1.00 0.00 C ATOM 219 C MET A 49 -33.305 1.093 -17.248 1.00 0.00 C ATOM 220 O MET A 49 -34.293 1.649 -17.686 1.00 0.00 O ATOM 221 CB MET A 49 -32.038 2.737 -15.856 1.00 0.00 C ATOM 222 CG MET A 49 -30.684 3.422 -15.657 1.00 0.00 C ATOM 223 SD MET A 49 -30.728 4.417 -14.146 1.00 0.00 S ATOM 224 CE MET A 49 -32.165 5.427 -14.580 1.00 0.00 C ATOM 0 H MET A 49 -32.304 3.517 -18.373 1.00 0.00 H new ATOM 0 HA MET A 49 -31.169 1.117 -16.982 1.00 0.00 H new ATOM 0 HB2 MET A 49 -32.822 3.485 -15.974 1.00 0.00 H new ATOM 0 HB3 MET A 49 -32.291 2.145 -14.976 1.00 0.00 H new ATOM 0 HG2 MET A 49 -29.893 2.675 -15.591 1.00 0.00 H new ATOM 0 HG3 MET A 49 -30.455 4.054 -16.515 1.00 0.00 H new ATOM 0 HE1 MET A 49 -32.121 6.373 -14.040 1.00 0.00 H new ATOM 0 HE2 MET A 49 -32.163 5.621 -15.653 1.00 0.00 H new ATOM 0 HE3 MET A 49 -33.078 4.897 -14.309 1.00 0.00 H new ATOM 234 N THR A 50 -33.335 -0.161 -16.890 1.00 0.00 N ATOM 235 CA THR A 50 -34.599 -0.942 -17.015 1.00 0.00 C ATOM 236 C THR A 50 -35.012 -1.468 -15.639 1.00 0.00 C ATOM 237 O THR A 50 -34.261 -1.396 -14.686 1.00 0.00 O ATOM 238 CB THR A 50 -34.379 -2.118 -17.970 1.00 0.00 C ATOM 239 OG1 THR A 50 -32.985 -2.330 -18.143 1.00 0.00 O ATOM 240 CG2 THR A 50 -35.021 -1.806 -19.322 1.00 0.00 C ATOM 0 H THR A 50 -32.540 -0.679 -16.516 1.00 0.00 H new ATOM 0 HA THR A 50 -35.387 -0.299 -17.408 1.00 0.00 H new ATOM 0 HB THR A 50 -34.835 -3.016 -17.553 1.00 0.00 H new ATOM 0 HG1 THR A 50 -32.842 -3.084 -18.753 1.00 0.00 H new ATOM 0 HG21 THR A 50 -34.864 -2.644 -20.001 1.00 0.00 H new ATOM 0 HG22 THR A 50 -36.090 -1.643 -19.188 1.00 0.00 H new ATOM 0 HG23 THR A 50 -34.567 -0.908 -19.742 1.00 0.00 H new ATOM 248 N PRO A 51 -36.235 -2.006 -15.538 1.00 0.00 N ATOM 249 CA PRO A 51 -36.765 -2.547 -14.279 1.00 0.00 C ATOM 250 C PRO A 51 -36.066 -3.848 -13.872 1.00 0.00 C ATOM 251 O PRO A 51 -35.598 -3.990 -12.760 1.00 0.00 O ATOM 252 CB PRO A 51 -38.234 -2.825 -14.599 1.00 0.00 C ATOM 253 CG PRO A 51 -38.267 -3.021 -16.077 1.00 0.00 C ATOM 254 CD PRO A 51 -37.199 -2.129 -16.645 1.00 0.00 C ATOM 0 HA PRO A 51 -36.616 -1.858 -13.447 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -38.593 -3.710 -14.074 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -38.870 -1.994 -14.295 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -38.081 -4.063 -16.335 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -39.245 -2.762 -16.482 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -36.740 -2.566 -17.532 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -37.600 -1.159 -16.939 1.00 0.00 H new ATOM 262 N THR A 52 -35.999 -4.802 -14.762 1.00 0.00 N ATOM 263 CA THR A 52 -35.337 -6.093 -14.420 1.00 0.00 C ATOM 264 C THR A 52 -33.921 -5.824 -13.910 1.00 0.00 C ATOM 265 O THR A 52 -33.461 -6.439 -12.968 1.00 0.00 O ATOM 266 CB THR A 52 -35.273 -6.982 -15.665 1.00 0.00 C ATOM 267 OG1 THR A 52 -36.091 -6.423 -16.684 1.00 0.00 O ATOM 268 CG2 THR A 52 -35.775 -8.384 -15.317 1.00 0.00 C ATOM 0 H THR A 52 -36.373 -4.743 -15.709 1.00 0.00 H new ATOM 0 HA THR A 52 -35.911 -6.599 -13.643 1.00 0.00 H new ATOM 0 HB THR A 52 -34.243 -7.044 -16.017 1.00 0.00 H new ATOM 0 HG1 THR A 52 -37.022 -6.400 -16.380 1.00 0.00 H new ATOM 0 HG21 THR A 52 -35.730 -9.017 -16.203 1.00 0.00 H new ATOM 0 HG22 THR A 52 -35.149 -8.811 -14.534 1.00 0.00 H new ATOM 0 HG23 THR A 52 -36.805 -8.325 -14.966 1.00 0.00 H new ATOM 276 N LEU A 53 -33.226 -4.908 -14.524 1.00 0.00 N ATOM 277 CA LEU A 53 -31.841 -4.597 -14.072 1.00 0.00 C ATOM 278 C LEU A 53 -31.895 -3.950 -12.688 1.00 0.00 C ATOM 279 O LEU A 53 -31.200 -4.352 -11.775 1.00 0.00 O ATOM 280 CB LEU A 53 -31.183 -3.633 -15.061 1.00 0.00 C ATOM 281 CG LEU A 53 -29.705 -3.468 -14.705 1.00 0.00 C ATOM 282 CD1 LEU A 53 -28.971 -4.790 -14.945 1.00 0.00 C ATOM 283 CD2 LEU A 53 -29.088 -2.375 -15.582 1.00 0.00 C ATOM 0 H LEU A 53 -33.557 -4.361 -15.319 1.00 0.00 H new ATOM 0 HA LEU A 53 -31.258 -5.517 -14.023 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -31.283 -4.014 -16.078 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -31.685 -2.666 -15.032 1.00 0.00 H new ATOM 0 HG LEU A 53 -29.613 -3.187 -13.656 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -27.917 -4.672 -14.691 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -29.410 -5.568 -14.321 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -29.062 -5.072 -15.994 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -28.034 -2.257 -15.329 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -29.180 -2.655 -16.631 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -29.610 -1.434 -15.411 1.00 0.00 H new ATOM 295 N LEU A 54 -32.719 -2.951 -12.522 1.00 0.00 N ATOM 296 CA LEU A 54 -32.818 -2.281 -11.196 1.00 0.00 C ATOM 297 C LEU A 54 -33.236 -3.308 -10.142 1.00 0.00 C ATOM 298 O LEU A 54 -32.634 -3.413 -9.091 1.00 0.00 O ATOM 299 CB LEU A 54 -33.861 -1.165 -11.265 1.00 0.00 C ATOM 300 CG LEU A 54 -33.345 -0.043 -12.169 1.00 0.00 C ATOM 301 CD1 LEU A 54 -34.517 0.583 -12.927 1.00 0.00 C ATOM 302 CD2 LEU A 54 -32.660 1.026 -11.315 1.00 0.00 C ATOM 0 H LEU A 54 -33.327 -2.571 -13.247 1.00 0.00 H new ATOM 0 HA LEU A 54 -31.851 -1.855 -10.928 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -34.802 -1.555 -11.652 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -34.063 -0.778 -10.266 1.00 0.00 H new ATOM 0 HG LEU A 54 -32.629 -0.452 -12.882 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -34.149 1.382 -13.571 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -35.004 -0.178 -13.536 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -35.234 0.992 -12.215 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -32.292 1.825 -11.958 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -33.375 1.435 -10.601 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -31.824 0.580 -10.776 1.00 0.00 H new ATOM 314 N ARG A 55 -34.260 -4.072 -10.415 1.00 0.00 N ATOM 315 CA ARG A 55 -34.709 -5.093 -9.428 1.00 0.00 C ATOM 316 C ARG A 55 -33.512 -5.950 -9.011 1.00 0.00 C ATOM 317 O ARG A 55 -33.386 -6.345 -7.869 1.00 0.00 O ATOM 318 CB ARG A 55 -35.780 -5.983 -10.062 1.00 0.00 C ATOM 319 CG ARG A 55 -36.277 -6.994 -9.026 1.00 0.00 C ATOM 320 CD ARG A 55 -37.255 -7.966 -9.690 1.00 0.00 C ATOM 321 NE ARG A 55 -37.880 -8.829 -8.648 1.00 0.00 N ATOM 322 CZ ARG A 55 -37.432 -10.037 -8.446 1.00 0.00 C ATOM 323 NH1 ARG A 55 -36.146 -10.260 -8.420 1.00 0.00 N ATOM 324 NH2 ARG A 55 -38.269 -11.023 -8.266 1.00 0.00 N ATOM 0 H ARG A 55 -34.803 -4.032 -11.277 1.00 0.00 H new ATOM 0 HA ARG A 55 -35.127 -4.596 -8.552 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -36.610 -5.374 -10.420 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -35.371 -6.504 -10.928 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -35.435 -7.541 -8.603 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -36.766 -6.475 -8.202 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -38.024 -7.413 -10.229 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -36.732 -8.582 -10.422 1.00 0.00 H new ATOM 0 HE ARG A 55 -38.659 -8.475 -8.093 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -35.492 -9.490 -8.558 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -35.795 -11.205 -8.262 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -39.274 -10.849 -8.283 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -37.918 -11.968 -8.108 1.00 0.00 H new ATOM 338 N GLY A 56 -32.629 -6.239 -9.928 1.00 0.00 N ATOM 339 CA GLY A 56 -31.439 -7.066 -9.583 1.00 0.00 C ATOM 340 C GLY A 56 -30.441 -6.208 -8.802 1.00 0.00 C ATOM 341 O GLY A 56 -29.711 -6.697 -7.963 1.00 0.00 O ATOM 0 H GLY A 56 -32.681 -5.938 -10.901 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -31.740 -7.928 -8.988 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -30.974 -7.452 -10.490 1.00 0.00 H new ATOM 345 N ALA A 57 -30.408 -4.932 -9.069 1.00 0.00 N ATOM 346 CA ALA A 57 -29.462 -4.042 -8.340 1.00 0.00 C ATOM 347 C ALA A 57 -30.046 -3.696 -6.968 1.00 0.00 C ATOM 348 O ALA A 57 -29.379 -3.137 -6.120 1.00 0.00 O ATOM 349 CB ALA A 57 -29.246 -2.757 -9.144 1.00 0.00 C ATOM 0 H ALA A 57 -30.996 -4.467 -9.761 1.00 0.00 H new ATOM 0 HA ALA A 57 -28.507 -4.552 -8.211 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -28.554 -2.106 -8.610 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -28.831 -3.005 -10.121 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -30.199 -2.244 -9.274 1.00 0.00 H new ATOM 355 N PHE A 58 -31.290 -4.026 -6.743 1.00 0.00 N ATOM 356 CA PHE A 58 -31.923 -3.721 -5.428 1.00 0.00 C ATOM 357 C PHE A 58 -32.580 -4.987 -4.870 1.00 0.00 C ATOM 358 O PHE A 58 -33.122 -4.989 -3.782 1.00 0.00 O ATOM 359 CB PHE A 58 -32.987 -2.637 -5.615 1.00 0.00 C ATOM 360 CG PHE A 58 -32.317 -1.313 -5.894 1.00 0.00 C ATOM 361 CD1 PHE A 58 -31.955 -0.975 -7.203 1.00 0.00 C ATOM 362 CD2 PHE A 58 -32.057 -0.425 -4.844 1.00 0.00 C ATOM 363 CE1 PHE A 58 -31.334 0.252 -7.463 1.00 0.00 C ATOM 364 CE2 PHE A 58 -31.435 0.803 -5.104 1.00 0.00 C ATOM 365 CZ PHE A 58 -31.073 1.141 -6.414 1.00 0.00 C ATOM 0 H PHE A 58 -31.896 -4.495 -7.416 1.00 0.00 H new ATOM 0 HA PHE A 58 -31.162 -3.370 -4.732 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -33.649 -2.902 -6.439 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -33.605 -2.562 -4.721 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -32.155 -1.661 -8.013 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -32.336 -0.686 -3.834 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -31.056 0.513 -8.473 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -31.235 1.489 -4.294 1.00 0.00 H new ATOM 0 HZ PHE A 58 -30.593 2.087 -6.615 1.00 0.00 H new ATOM 375 N SER A 59 -32.538 -6.065 -5.607 1.00 0.00 N ATOM 376 CA SER A 59 -33.159 -7.329 -5.122 1.00 0.00 C ATOM 377 C SER A 59 -32.372 -7.874 -3.927 1.00 0.00 C ATOM 378 O SER A 59 -32.926 -8.123 -2.874 1.00 0.00 O ATOM 379 CB SER A 59 -33.151 -8.364 -6.250 1.00 0.00 C ATOM 380 OG SER A 59 -34.419 -8.378 -6.889 1.00 0.00 O ATOM 0 H SER A 59 -32.099 -6.123 -6.526 1.00 0.00 H new ATOM 0 HA SER A 59 -34.185 -7.128 -4.813 1.00 0.00 H new ATOM 0 HB2 SER A 59 -32.371 -8.124 -6.972 1.00 0.00 H new ATOM 0 HB3 SER A 59 -32.923 -9.352 -5.850 1.00 0.00 H new ATOM 0 HG SER A 59 -34.695 -7.459 -7.088 1.00 0.00 H new ATOM 386 N PRO A 60 -31.053 -8.069 -4.094 1.00 0.00 N ATOM 387 CA PRO A 60 -30.189 -8.593 -3.027 1.00 0.00 C ATOM 388 C PRO A 60 -30.020 -7.589 -1.881 1.00 0.00 C ATOM 389 O PRO A 60 -29.805 -7.963 -0.746 1.00 0.00 O ATOM 390 CB PRO A 60 -28.850 -8.821 -3.728 1.00 0.00 C ATOM 391 CG PRO A 60 -28.867 -7.881 -4.885 1.00 0.00 C ATOM 392 CD PRO A 60 -30.299 -7.795 -5.332 1.00 0.00 C ATOM 0 HA PRO A 60 -30.604 -9.492 -2.571 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -28.013 -8.614 -3.061 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -28.746 -9.855 -4.058 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -28.490 -6.900 -4.596 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -28.228 -8.243 -5.691 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -30.536 -6.812 -5.739 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -30.523 -8.525 -6.110 1.00 0.00 H new ATOM 400 N PHE A 61 -30.115 -6.320 -2.169 1.00 0.00 N ATOM 401 CA PHE A 61 -29.959 -5.301 -1.092 1.00 0.00 C ATOM 402 C PHE A 61 -31.178 -5.345 -0.170 1.00 0.00 C ATOM 403 O PHE A 61 -31.190 -4.748 0.890 1.00 0.00 O ATOM 404 CB PHE A 61 -29.841 -3.909 -1.718 1.00 0.00 C ATOM 405 CG PHE A 61 -28.430 -3.700 -2.214 1.00 0.00 C ATOM 406 CD1 PHE A 61 -27.407 -3.400 -1.307 1.00 0.00 C ATOM 407 CD2 PHE A 61 -28.146 -3.805 -3.581 1.00 0.00 C ATOM 408 CE1 PHE A 61 -26.099 -3.206 -1.767 1.00 0.00 C ATOM 409 CE2 PHE A 61 -26.839 -3.611 -4.041 1.00 0.00 C ATOM 410 CZ PHE A 61 -25.814 -3.310 -3.135 1.00 0.00 C ATOM 0 H PHE A 61 -30.293 -5.945 -3.101 1.00 0.00 H new ATOM 0 HA PHE A 61 -29.059 -5.516 -0.516 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -30.547 -3.808 -2.543 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -30.097 -3.145 -0.984 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -27.627 -3.318 -0.253 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -28.936 -4.036 -4.280 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -25.309 -2.976 -1.067 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -26.620 -3.693 -5.095 1.00 0.00 H new ATOM 0 HZ PHE A 61 -24.805 -3.158 -3.490 1.00 0.00 H new ATOM 420 N GLY A 62 -32.205 -6.048 -0.562 1.00 0.00 N ATOM 421 CA GLY A 62 -33.423 -6.132 0.292 1.00 0.00 C ATOM 422 C GLY A 62 -34.651 -6.348 -0.594 1.00 0.00 C ATOM 423 O GLY A 62 -34.556 -6.380 -1.805 1.00 0.00 O ATOM 0 H GLY A 62 -32.253 -6.568 -1.438 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -33.326 -6.952 1.004 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -33.537 -5.217 0.873 1.00 0.00 H new ATOM 427 N ASN A 63 -35.803 -6.496 -0.001 1.00 0.00 N ATOM 428 CA ASN A 63 -37.036 -6.710 -0.812 1.00 0.00 C ATOM 429 C ASN A 63 -37.663 -5.357 -1.152 1.00 0.00 C ATOM 430 O ASN A 63 -37.727 -4.466 -0.327 1.00 0.00 O ATOM 431 CB ASN A 63 -38.034 -7.548 -0.011 1.00 0.00 C ATOM 432 CG ASN A 63 -37.462 -8.951 0.207 1.00 0.00 C ATOM 433 OD1 ASN A 63 -36.522 -9.345 -0.454 1.00 0.00 O ATOM 434 ND2 ASN A 63 -37.994 -9.725 1.112 1.00 0.00 N ATOM 0 H ASN A 63 -35.945 -6.478 1.009 1.00 0.00 H new ATOM 0 HA ASN A 63 -36.779 -7.233 -1.733 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -38.236 -7.073 0.949 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -38.983 -7.609 -0.543 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -37.621 -10.662 1.265 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -38.783 -9.393 1.667 1.00 0.00 H new ATOM 441 N ILE A 64 -38.126 -5.193 -2.361 1.00 0.00 N ATOM 442 CA ILE A 64 -38.748 -3.897 -2.752 1.00 0.00 C ATOM 443 C ILE A 64 -40.271 -4.038 -2.746 1.00 0.00 C ATOM 444 O ILE A 64 -40.832 -4.853 -3.453 1.00 0.00 O ATOM 445 CB ILE A 64 -38.277 -3.508 -4.155 1.00 0.00 C ATOM 446 CG1 ILE A 64 -36.750 -3.432 -4.178 1.00 0.00 C ATOM 447 CG2 ILE A 64 -38.862 -2.144 -4.527 1.00 0.00 C ATOM 448 CD1 ILE A 64 -36.265 -3.333 -5.626 1.00 0.00 C ATOM 0 H ILE A 64 -38.100 -5.901 -3.095 1.00 0.00 H new ATOM 0 HA ILE A 64 -38.453 -3.124 -2.042 1.00 0.00 H new ATOM 0 HB ILE A 64 -38.613 -4.256 -4.873 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -36.410 -2.566 -3.610 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -36.324 -4.314 -3.700 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -38.528 -1.865 -5.526 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -39.951 -2.198 -4.511 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -38.525 -1.396 -3.810 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -35.176 -3.279 -5.642 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -36.593 -4.212 -6.180 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -36.680 -2.437 -6.088 1.00 0.00 H new ATOM 460 N ILE A 65 -40.946 -3.249 -1.956 1.00 0.00 N ATOM 461 CA ILE A 65 -42.433 -3.337 -1.907 1.00 0.00 C ATOM 462 C ILE A 65 -43.023 -2.686 -3.158 1.00 0.00 C ATOM 463 O ILE A 65 -44.089 -3.047 -3.614 1.00 0.00 O ATOM 464 CB ILE A 65 -42.946 -2.609 -0.662 1.00 0.00 C ATOM 465 CG1 ILE A 65 -42.784 -1.099 -0.848 1.00 0.00 C ATOM 466 CG2 ILE A 65 -42.141 -3.060 0.559 1.00 0.00 C ATOM 467 CD1 ILE A 65 -43.369 -0.371 0.363 1.00 0.00 C ATOM 0 H ILE A 65 -40.532 -2.547 -1.342 1.00 0.00 H new ATOM 0 HA ILE A 65 -42.734 -4.384 -1.866 1.00 0.00 H new ATOM 0 HB ILE A 65 -44.000 -2.845 -0.513 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -41.730 -0.847 -0.963 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -43.290 -0.778 -1.758 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -42.505 -2.542 1.446 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -42.256 -4.136 0.694 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -41.088 -2.824 0.408 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -43.254 0.705 0.231 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -44.427 -0.614 0.457 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -42.843 -0.684 1.265 1.00 0.00 H new ATOM 479 N ASP A 66 -42.337 -1.726 -3.717 1.00 0.00 N ATOM 480 CA ASP A 66 -42.858 -1.052 -4.939 1.00 0.00 C ATOM 481 C ASP A 66 -41.688 -0.478 -5.740 1.00 0.00 C ATOM 482 O ASP A 66 -40.729 0.022 -5.185 1.00 0.00 O ATOM 483 CB ASP A 66 -43.804 0.079 -4.535 1.00 0.00 C ATOM 484 CG ASP A 66 -44.485 0.646 -5.783 1.00 0.00 C ATOM 485 OD1 ASP A 66 -44.273 0.096 -6.851 1.00 0.00 O ATOM 486 OD2 ASP A 66 -45.207 1.621 -5.649 1.00 0.00 O ATOM 0 H ASP A 66 -41.439 -1.380 -3.380 1.00 0.00 H new ATOM 0 HA ASP A 66 -43.399 -1.774 -5.551 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -44.553 -0.292 -3.836 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -43.250 0.865 -4.021 1.00 0.00 H new ATOM 491 N LEU A 67 -41.759 -0.545 -7.041 1.00 0.00 N ATOM 492 CA LEU A 67 -40.652 -0.003 -7.877 1.00 0.00 C ATOM 493 C LEU A 67 -41.218 1.002 -8.881 1.00 0.00 C ATOM 494 O LEU A 67 -42.171 0.724 -9.582 1.00 0.00 O ATOM 495 CB LEU A 67 -39.972 -1.150 -8.627 1.00 0.00 C ATOM 496 CG LEU A 67 -38.773 -0.610 -9.408 1.00 0.00 C ATOM 497 CD1 LEU A 67 -37.534 -1.450 -9.085 1.00 0.00 C ATOM 498 CD2 LEU A 67 -39.064 -0.684 -10.907 1.00 0.00 C ATOM 0 H LEU A 67 -42.536 -0.952 -7.561 1.00 0.00 H new ATOM 0 HA LEU A 67 -39.922 0.495 -7.238 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -39.646 -1.916 -7.923 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -40.680 -1.623 -9.308 1.00 0.00 H new ATOM 0 HG LEU A 67 -38.593 0.427 -9.125 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -36.679 -1.066 -9.641 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -37.326 -1.396 -8.016 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -37.714 -2.487 -9.367 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -38.209 -0.299 -11.463 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -39.245 -1.720 -11.192 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -39.946 -0.085 -11.136 1.00 0.00 H new ATOM 510 N SER A 68 -40.641 2.170 -8.955 1.00 0.00 N ATOM 511 CA SER A 68 -41.149 3.192 -9.913 1.00 0.00 C ATOM 512 C SER A 68 -40.014 3.630 -10.843 1.00 0.00 C ATOM 513 O SER A 68 -38.849 3.501 -10.520 1.00 0.00 O ATOM 514 CB SER A 68 -41.667 4.405 -9.137 1.00 0.00 C ATOM 515 OG SER A 68 -42.479 5.202 -9.988 1.00 0.00 O ATOM 0 H SER A 68 -39.840 2.461 -8.394 1.00 0.00 H new ATOM 0 HA SER A 68 -41.959 2.764 -10.504 1.00 0.00 H new ATOM 0 HB2 SER A 68 -42.242 4.077 -8.271 1.00 0.00 H new ATOM 0 HB3 SER A 68 -40.830 4.993 -8.760 1.00 0.00 H new ATOM 0 HG SER A 68 -42.812 5.978 -9.490 1.00 0.00 H new ATOM 521 N MET A 69 -40.343 4.145 -11.996 1.00 0.00 N ATOM 522 CA MET A 69 -39.283 4.589 -12.944 1.00 0.00 C ATOM 523 C MET A 69 -39.698 5.915 -13.588 1.00 0.00 C ATOM 524 O MET A 69 -40.858 6.144 -13.867 1.00 0.00 O ATOM 525 CB MET A 69 -39.097 3.530 -14.032 1.00 0.00 C ATOM 526 CG MET A 69 -38.610 2.226 -13.398 1.00 0.00 C ATOM 527 SD MET A 69 -38.176 1.047 -14.701 1.00 0.00 S ATOM 528 CE MET A 69 -36.697 1.902 -15.296 1.00 0.00 C ATOM 0 H MET A 69 -41.300 4.277 -12.322 1.00 0.00 H new ATOM 0 HA MET A 69 -38.346 4.725 -12.405 1.00 0.00 H new ATOM 0 HB2 MET A 69 -40.038 3.363 -14.556 1.00 0.00 H new ATOM 0 HB3 MET A 69 -38.377 3.877 -14.773 1.00 0.00 H new ATOM 0 HG2 MET A 69 -37.745 2.418 -12.764 1.00 0.00 H new ATOM 0 HG3 MET A 69 -39.387 1.808 -12.758 1.00 0.00 H new ATOM 0 HE1 MET A 69 -36.012 1.179 -15.738 1.00 0.00 H new ATOM 0 HE2 MET A 69 -36.980 2.640 -16.047 1.00 0.00 H new ATOM 0 HE3 MET A 69 -36.206 2.403 -14.462 1.00 0.00 H new ATOM 538 N ASP A 70 -38.759 6.791 -13.823 1.00 0.00 N ATOM 539 CA ASP A 70 -39.101 8.101 -14.446 1.00 0.00 C ATOM 540 C ASP A 70 -38.323 8.263 -15.755 1.00 0.00 C ATOM 541 O ASP A 70 -37.169 8.644 -15.757 1.00 0.00 O ATOM 542 CB ASP A 70 -38.726 9.234 -13.489 1.00 0.00 C ATOM 543 CG ASP A 70 -39.995 9.804 -12.850 1.00 0.00 C ATOM 544 OD1 ASP A 70 -40.614 9.093 -12.075 1.00 0.00 O ATOM 545 OD2 ASP A 70 -40.326 10.939 -13.147 1.00 0.00 O ATOM 0 H ASP A 70 -37.771 6.656 -13.611 1.00 0.00 H new ATOM 0 HA ASP A 70 -40.171 8.136 -14.652 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -38.052 8.864 -12.717 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -38.194 10.018 -14.028 1.00 0.00 H new ATOM 550 N PRO A 71 -38.974 7.965 -16.889 1.00 0.00 N ATOM 551 CA PRO A 71 -38.346 8.076 -18.207 1.00 0.00 C ATOM 552 C PRO A 71 -38.186 9.531 -18.695 1.00 0.00 C ATOM 553 O PRO A 71 -37.284 9.821 -19.456 1.00 0.00 O ATOM 554 CB PRO A 71 -39.293 7.304 -19.125 1.00 0.00 C ATOM 555 CG PRO A 71 -40.623 7.342 -18.448 1.00 0.00 C ATOM 556 CD PRO A 71 -40.369 7.494 -16.970 1.00 0.00 C ATOM 0 HA PRO A 71 -37.328 7.686 -18.189 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -39.342 7.762 -20.113 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -38.953 6.278 -19.266 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -41.221 8.173 -18.823 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -41.183 6.429 -18.650 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -41.057 8.209 -16.519 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -40.501 6.549 -16.444 1.00 0.00 H new ATOM 564 N PRO A 72 -39.058 10.471 -18.267 1.00 0.00 N ATOM 565 CA PRO A 72 -38.953 11.869 -18.701 1.00 0.00 C ATOM 566 C PRO A 72 -37.813 12.603 -17.986 1.00 0.00 C ATOM 567 O PRO A 72 -37.293 13.586 -18.475 1.00 0.00 O ATOM 568 CB PRO A 72 -40.291 12.479 -18.294 1.00 0.00 C ATOM 569 CG PRO A 72 -40.768 11.641 -17.157 1.00 0.00 C ATOM 570 CD PRO A 72 -40.198 10.262 -17.350 1.00 0.00 C ATOM 0 HA PRO A 72 -38.741 11.946 -19.767 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -40.175 13.521 -17.995 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -41.000 12.462 -19.121 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -40.442 12.062 -16.206 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -41.857 11.607 -17.135 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -39.875 9.828 -16.404 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -40.935 9.582 -17.778 1.00 0.00 H new ATOM 578 N ARG A 73 -37.427 12.135 -16.831 1.00 0.00 N ATOM 579 CA ARG A 73 -36.326 12.809 -16.085 1.00 0.00 C ATOM 580 C ARG A 73 -35.100 11.894 -16.036 1.00 0.00 C ATOM 581 O ARG A 73 -34.074 12.246 -15.488 1.00 0.00 O ATOM 582 CB ARG A 73 -36.791 13.115 -14.659 1.00 0.00 C ATOM 583 CG ARG A 73 -37.928 14.137 -14.700 1.00 0.00 C ATOM 584 CD ARG A 73 -38.265 14.584 -13.275 1.00 0.00 C ATOM 585 NE ARG A 73 -39.503 15.415 -13.293 1.00 0.00 N ATOM 586 CZ ARG A 73 -39.431 16.686 -13.582 1.00 0.00 C ATOM 587 NH1 ARG A 73 -39.688 17.579 -12.665 1.00 0.00 N ATOM 588 NH2 ARG A 73 -39.104 17.065 -14.787 1.00 0.00 N ATOM 0 H ARG A 73 -37.826 11.316 -16.372 1.00 0.00 H new ATOM 0 HA ARG A 73 -36.062 13.738 -16.591 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -37.128 12.200 -14.171 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -35.960 13.503 -14.070 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -37.636 14.997 -15.303 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -38.807 13.700 -15.173 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -38.408 13.714 -12.634 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -37.437 15.156 -12.857 1.00 0.00 H new ATOM 0 HE ARG A 73 -40.406 14.991 -13.080 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -39.945 17.283 -11.723 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -39.632 18.572 -12.890 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -38.904 16.368 -15.504 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -39.048 18.058 -15.012 1.00 0.00 H new ATOM 602 N ASN A 74 -35.195 10.722 -16.604 1.00 0.00 N ATOM 603 CA ASN A 74 -34.034 9.789 -16.589 1.00 0.00 C ATOM 604 C ASN A 74 -33.699 9.414 -15.143 1.00 0.00 C ATOM 605 O ASN A 74 -32.549 9.343 -14.759 1.00 0.00 O ATOM 606 CB ASN A 74 -32.822 10.469 -17.230 1.00 0.00 C ATOM 607 CG ASN A 74 -33.143 10.816 -18.685 1.00 0.00 C ATOM 608 OD1 ASN A 74 -34.091 10.306 -19.249 1.00 0.00 O ATOM 609 ND2 ASN A 74 -32.388 11.668 -19.322 1.00 0.00 N ATOM 0 H ASN A 74 -36.027 10.371 -17.078 1.00 0.00 H new ATOM 0 HA ASN A 74 -34.286 8.889 -17.151 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -32.564 11.373 -16.678 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -31.955 9.810 -17.185 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -32.594 11.906 -20.292 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -31.592 12.097 -18.850 1.00 0.00 H new ATOM 616 N CYS A 75 -34.697 9.170 -14.337 1.00 0.00 N ATOM 617 CA CYS A 75 -34.434 8.799 -12.918 1.00 0.00 C ATOM 618 C CYS A 75 -35.407 7.698 -12.491 1.00 0.00 C ATOM 619 O CYS A 75 -36.449 7.510 -13.087 1.00 0.00 O ATOM 620 CB CYS A 75 -34.627 10.026 -12.026 1.00 0.00 C ATOM 621 SG CYS A 75 -36.305 10.671 -12.241 1.00 0.00 S ATOM 0 H CYS A 75 -35.682 9.212 -14.600 1.00 0.00 H new ATOM 0 HA CYS A 75 -33.410 8.437 -12.820 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -34.459 9.760 -10.982 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -33.896 10.793 -12.281 1.00 0.00 H new ATOM 0 HG CYS A 75 -36.470 11.713 -11.481 1.00 0.00 H new ATOM 627 N ALA A 76 -35.076 6.967 -11.461 1.00 0.00 N ATOM 628 CA ALA A 76 -35.981 5.880 -10.996 1.00 0.00 C ATOM 629 C ALA A 76 -36.126 5.950 -9.475 1.00 0.00 C ATOM 630 O ALA A 76 -35.345 6.588 -8.795 1.00 0.00 O ATOM 631 CB ALA A 76 -35.392 4.523 -11.390 1.00 0.00 C ATOM 0 H ALA A 76 -34.217 7.077 -10.922 1.00 0.00 H new ATOM 0 HA ALA A 76 -36.960 6.001 -11.459 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -36.054 3.727 -11.050 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -35.290 4.472 -12.474 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -34.413 4.403 -10.927 1.00 0.00 H new ATOM 637 N PHE A 77 -37.121 5.301 -8.934 1.00 0.00 N ATOM 638 CA PHE A 77 -37.315 5.331 -7.457 1.00 0.00 C ATOM 639 C PHE A 77 -37.388 3.899 -6.925 1.00 0.00 C ATOM 640 O PHE A 77 -38.014 3.040 -7.513 1.00 0.00 O ATOM 641 CB PHE A 77 -38.616 6.065 -7.131 1.00 0.00 C ATOM 642 CG PHE A 77 -38.492 7.512 -7.544 1.00 0.00 C ATOM 643 CD1 PHE A 77 -37.897 8.438 -6.679 1.00 0.00 C ATOM 644 CD2 PHE A 77 -38.969 7.927 -8.793 1.00 0.00 C ATOM 645 CE1 PHE A 77 -37.781 9.779 -7.062 1.00 0.00 C ATOM 646 CE2 PHE A 77 -38.852 9.268 -9.176 1.00 0.00 C ATOM 647 CZ PHE A 77 -38.258 10.194 -8.311 1.00 0.00 C ATOM 0 H PHE A 77 -37.807 4.752 -9.451 1.00 0.00 H new ATOM 0 HA PHE A 77 -36.478 5.850 -6.989 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -39.451 5.597 -7.652 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -38.828 5.997 -6.064 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -37.527 8.117 -5.716 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -39.427 7.213 -9.461 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -37.323 10.494 -6.394 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -39.220 9.588 -10.139 1.00 0.00 H new ATOM 0 HZ PHE A 77 -38.168 11.229 -8.607 1.00 0.00 H new ATOM 657 N VAL A 78 -36.749 3.631 -5.818 1.00 0.00 N ATOM 658 CA VAL A 78 -36.784 2.251 -5.258 1.00 0.00 C ATOM 659 C VAL A 78 -37.351 2.289 -3.838 1.00 0.00 C ATOM 660 O VAL A 78 -36.945 3.087 -3.017 1.00 0.00 O ATOM 661 CB VAL A 78 -35.366 1.679 -5.226 1.00 0.00 C ATOM 662 CG1 VAL A 78 -35.410 0.236 -4.719 1.00 0.00 C ATOM 663 CG2 VAL A 78 -34.773 1.707 -6.637 1.00 0.00 C ATOM 0 H VAL A 78 -36.206 4.306 -5.279 1.00 0.00 H new ATOM 0 HA VAL A 78 -37.417 1.621 -5.884 1.00 0.00 H new ATOM 0 HB VAL A 78 -34.746 2.279 -4.560 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -34.400 -0.172 -4.696 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -35.833 0.216 -3.714 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -36.029 -0.365 -5.385 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -33.762 1.299 -6.615 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -35.392 1.107 -7.304 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -34.742 2.735 -6.998 1.00 0.00 H new ATOM 673 N THR A 79 -38.285 1.427 -3.541 1.00 0.00 N ATOM 674 CA THR A 79 -38.876 1.410 -2.174 1.00 0.00 C ATOM 675 C THR A 79 -38.376 0.174 -1.423 1.00 0.00 C ATOM 676 O THR A 79 -38.500 -0.940 -1.891 1.00 0.00 O ATOM 677 CB THR A 79 -40.402 1.361 -2.280 1.00 0.00 C ATOM 678 OG1 THR A 79 -40.845 2.368 -3.179 1.00 0.00 O ATOM 679 CG2 THR A 79 -41.019 1.599 -0.901 1.00 0.00 C ATOM 0 H THR A 79 -38.664 0.734 -4.186 1.00 0.00 H new ATOM 0 HA THR A 79 -38.579 2.310 -1.635 1.00 0.00 H new ATOM 0 HB THR A 79 -40.710 0.383 -2.649 1.00 0.00 H new ATOM 0 HG1 THR A 79 -40.935 1.988 -4.078 1.00 0.00 H new ATOM 0 HG21 THR A 79 -42.106 1.564 -0.978 1.00 0.00 H new ATOM 0 HG22 THR A 79 -40.679 0.826 -0.212 1.00 0.00 H new ATOM 0 HG23 THR A 79 -40.713 2.577 -0.529 1.00 0.00 H new ATOM 687 N TYR A 80 -37.810 0.361 -0.261 1.00 0.00 N ATOM 688 CA TYR A 80 -37.302 -0.806 0.513 1.00 0.00 C ATOM 689 C TYR A 80 -38.158 -1.003 1.766 1.00 0.00 C ATOM 690 O TYR A 80 -38.471 -0.063 2.470 1.00 0.00 O ATOM 691 CB TYR A 80 -35.850 -0.554 0.926 1.00 0.00 C ATOM 692 CG TYR A 80 -34.920 -1.137 -0.112 1.00 0.00 C ATOM 693 CD1 TYR A 80 -35.167 -2.409 -0.642 1.00 0.00 C ATOM 694 CD2 TYR A 80 -33.810 -0.402 -0.545 1.00 0.00 C ATOM 695 CE1 TYR A 80 -34.303 -2.946 -1.606 1.00 0.00 C ATOM 696 CE2 TYR A 80 -32.947 -0.938 -1.508 1.00 0.00 C ATOM 697 CZ TYR A 80 -33.194 -2.210 -2.039 1.00 0.00 C ATOM 698 OH TYR A 80 -32.344 -2.738 -2.989 1.00 0.00 O ATOM 0 H TYR A 80 -37.678 1.269 0.184 1.00 0.00 H new ATOM 0 HA TYR A 80 -37.355 -1.700 -0.108 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -35.671 0.516 1.029 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -35.654 -1.005 1.899 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -36.023 -2.976 -0.308 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -33.619 0.579 -0.136 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -34.493 -3.927 -2.015 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -32.091 -0.371 -1.841 1.00 0.00 H new ATOM 0 HH TYR A 80 -32.381 -3.717 -2.954 1.00 0.00 H new ATOM 708 N GLU A 81 -38.535 -2.219 2.052 1.00 0.00 N ATOM 709 CA GLU A 81 -39.367 -2.477 3.260 1.00 0.00 C ATOM 710 C GLU A 81 -38.599 -2.032 4.506 1.00 0.00 C ATOM 711 O GLU A 81 -39.178 -1.744 5.535 1.00 0.00 O ATOM 712 CB GLU A 81 -39.675 -3.973 3.356 1.00 0.00 C ATOM 713 CG GLU A 81 -40.688 -4.216 4.475 1.00 0.00 C ATOM 714 CD GLU A 81 -40.902 -5.721 4.649 1.00 0.00 C ATOM 715 OE1 GLU A 81 -40.283 -6.475 3.915 1.00 0.00 O ATOM 716 OE2 GLU A 81 -41.680 -6.094 5.511 1.00 0.00 O ATOM 0 H GLU A 81 -38.302 -3.045 1.501 1.00 0.00 H new ATOM 0 HA GLU A 81 -40.301 -1.919 3.188 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -40.072 -4.335 2.407 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -38.760 -4.531 3.552 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -40.329 -3.778 5.407 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -41.633 -3.728 4.237 1.00 0.00 H new ATOM 723 N LYS A 82 -37.298 -1.975 4.421 1.00 0.00 N ATOM 724 CA LYS A 82 -36.491 -1.548 5.598 1.00 0.00 C ATOM 725 C LYS A 82 -35.555 -0.410 5.187 1.00 0.00 C ATOM 726 O LYS A 82 -34.879 -0.482 4.179 1.00 0.00 O ATOM 727 CB LYS A 82 -35.663 -2.730 6.106 1.00 0.00 C ATOM 728 CG LYS A 82 -36.597 -3.820 6.633 1.00 0.00 C ATOM 729 CD LYS A 82 -35.770 -5.021 7.094 1.00 0.00 C ATOM 730 CE LYS A 82 -35.025 -4.662 8.382 1.00 0.00 C ATOM 731 NZ LYS A 82 -35.895 -3.803 9.234 1.00 0.00 N ATOM 0 H LYS A 82 -36.759 -2.206 3.586 1.00 0.00 H new ATOM 0 HA LYS A 82 -37.157 -1.205 6.390 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -35.043 -3.126 5.301 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -34.988 -2.402 6.896 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -37.192 -3.435 7.461 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -37.295 -4.124 5.853 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -36.419 -5.880 7.264 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -35.060 -5.307 6.318 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -34.751 -5.569 8.921 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -34.098 -4.139 8.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -35.568 -3.848 10.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -35.848 -2.820 8.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -36.877 -4.141 9.179 1.00 0.00 H new ATOM 745 N MET A 83 -35.511 0.642 5.956 1.00 0.00 N ATOM 746 CA MET A 83 -34.618 1.783 5.608 1.00 0.00 C ATOM 747 C MET A 83 -33.167 1.300 5.571 1.00 0.00 C ATOM 748 O MET A 83 -32.317 1.900 4.942 1.00 0.00 O ATOM 749 CB MET A 83 -34.764 2.885 6.659 1.00 0.00 C ATOM 750 CG MET A 83 -36.216 3.366 6.693 1.00 0.00 C ATOM 751 SD MET A 83 -36.361 4.766 7.832 1.00 0.00 S ATOM 752 CE MET A 83 -35.978 3.862 9.351 1.00 0.00 C ATOM 0 H MET A 83 -36.055 0.761 6.811 1.00 0.00 H new ATOM 0 HA MET A 83 -34.895 2.177 4.630 1.00 0.00 H new ATOM 0 HB2 MET A 83 -34.471 2.509 7.639 1.00 0.00 H new ATOM 0 HB3 MET A 83 -34.099 3.717 6.425 1.00 0.00 H new ATOM 0 HG2 MET A 83 -36.536 3.662 5.694 1.00 0.00 H new ATOM 0 HG3 MET A 83 -36.872 2.555 7.011 1.00 0.00 H new ATOM 0 HE1 MET A 83 -36.452 4.357 10.198 1.00 0.00 H new ATOM 0 HE2 MET A 83 -36.352 2.841 9.271 1.00 0.00 H new ATOM 0 HE3 MET A 83 -34.898 3.842 9.500 1.00 0.00 H new ATOM 762 N GLU A 84 -32.876 0.220 6.242 1.00 0.00 N ATOM 763 CA GLU A 84 -31.481 -0.303 6.246 1.00 0.00 C ATOM 764 C GLU A 84 -31.162 -0.907 4.878 1.00 0.00 C ATOM 765 O GLU A 84 -30.017 -1.000 4.480 1.00 0.00 O ATOM 766 CB GLU A 84 -31.343 -1.378 7.324 1.00 0.00 C ATOM 767 CG GLU A 84 -31.503 -0.740 8.705 1.00 0.00 C ATOM 768 CD GLU A 84 -30.478 0.383 8.871 1.00 0.00 C ATOM 769 OE1 GLU A 84 -29.509 0.388 8.130 1.00 0.00 O ATOM 770 OE2 GLU A 84 -30.680 1.220 9.736 1.00 0.00 O ATOM 0 H GLU A 84 -33.545 -0.323 6.788 1.00 0.00 H new ATOM 0 HA GLU A 84 -30.787 0.511 6.455 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -32.097 -2.152 7.180 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -30.370 -1.863 7.246 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -32.512 -0.345 8.820 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -31.364 -1.491 9.482 1.00 0.00 H new ATOM 777 N SER A 85 -32.164 -1.320 4.153 1.00 0.00 N ATOM 778 CA SER A 85 -31.918 -1.919 2.812 1.00 0.00 C ATOM 779 C SER A 85 -31.582 -0.810 1.815 1.00 0.00 C ATOM 780 O SER A 85 -30.879 -1.024 0.846 1.00 0.00 O ATOM 781 CB SER A 85 -33.172 -2.661 2.347 1.00 0.00 C ATOM 782 OG SER A 85 -33.555 -3.608 3.334 1.00 0.00 O ATOM 0 H SER A 85 -33.144 -1.268 4.432 1.00 0.00 H new ATOM 0 HA SER A 85 -31.085 -2.619 2.873 1.00 0.00 H new ATOM 0 HB2 SER A 85 -33.983 -1.953 2.173 1.00 0.00 H new ATOM 0 HB3 SER A 85 -32.979 -3.165 1.400 1.00 0.00 H new ATOM 0 HG SER A 85 -34.359 -4.083 3.037 1.00 0.00 H new ATOM 788 N ALA A 86 -32.078 0.374 2.043 1.00 0.00 N ATOM 789 CA ALA A 86 -31.787 1.496 1.108 1.00 0.00 C ATOM 790 C ALA A 86 -30.390 2.052 1.395 1.00 0.00 C ATOM 791 O ALA A 86 -29.643 2.372 0.492 1.00 0.00 O ATOM 792 CB ALA A 86 -32.827 2.601 1.300 1.00 0.00 C ATOM 0 H ALA A 86 -32.672 0.613 2.837 1.00 0.00 H new ATOM 0 HA ALA A 86 -31.828 1.133 0.081 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -32.615 3.423 0.616 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -33.821 2.205 1.094 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -32.787 2.964 2.327 1.00 0.00 H new ATOM 798 N ASP A 87 -30.031 2.169 2.644 1.00 0.00 N ATOM 799 CA ASP A 87 -28.680 2.704 2.981 1.00 0.00 C ATOM 800 C ASP A 87 -27.611 1.720 2.503 1.00 0.00 C ATOM 801 O ASP A 87 -26.549 2.108 2.061 1.00 0.00 O ATOM 802 CB ASP A 87 -28.565 2.887 4.496 1.00 0.00 C ATOM 803 CG ASP A 87 -29.596 3.914 4.967 1.00 0.00 C ATOM 804 OD1 ASP A 87 -30.176 4.574 4.121 1.00 0.00 O ATOM 805 OD2 ASP A 87 -29.789 4.023 6.167 1.00 0.00 O ATOM 0 H ASP A 87 -30.612 1.918 3.444 1.00 0.00 H new ATOM 0 HA ASP A 87 -28.536 3.666 2.489 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -28.728 1.935 5.001 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -27.560 3.219 4.757 1.00 0.00 H new ATOM 810 N GLN A 88 -27.886 0.449 2.588 1.00 0.00 N ATOM 811 CA GLN A 88 -26.888 -0.563 2.139 1.00 0.00 C ATOM 812 C GLN A 88 -26.807 -0.555 0.613 1.00 0.00 C ATOM 813 O GLN A 88 -25.751 -0.715 0.035 1.00 0.00 O ATOM 814 CB GLN A 88 -27.316 -1.953 2.619 1.00 0.00 C ATOM 815 CG GLN A 88 -26.220 -2.967 2.284 1.00 0.00 C ATOM 816 CD GLN A 88 -25.020 -2.745 3.207 1.00 0.00 C ATOM 817 OE1 GLN A 88 -25.176 -2.616 4.404 1.00 0.00 O ATOM 818 NE2 GLN A 88 -23.820 -2.695 2.696 1.00 0.00 N ATOM 0 H GLN A 88 -28.760 0.066 2.949 1.00 0.00 H new ATOM 0 HA GLN A 88 -25.911 -0.320 2.557 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -27.497 -1.939 3.694 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -28.252 -2.242 2.142 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -26.600 -3.982 2.402 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -25.916 -2.859 1.243 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -23.689 -2.803 1.690 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -23.013 -2.548 3.302 1.00 0.00 H new ATOM 827 N ALA A 89 -27.917 -0.369 -0.044 1.00 0.00 N ATOM 828 CA ALA A 89 -27.907 -0.349 -1.534 1.00 0.00 C ATOM 829 C ALA A 89 -27.376 1.000 -2.019 1.00 0.00 C ATOM 830 O ALA A 89 -26.696 1.085 -3.022 1.00 0.00 O ATOM 831 CB ALA A 89 -29.330 -0.557 -2.056 1.00 0.00 C ATOM 0 H ALA A 89 -28.831 -0.230 0.386 1.00 0.00 H new ATOM 0 HA ALA A 89 -27.265 -1.147 -1.906 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -29.324 -0.542 -3.146 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -29.708 -1.518 -1.708 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -29.973 0.241 -1.686 1.00 0.00 H new ATOM 837 N VAL A 90 -27.679 2.055 -1.315 1.00 0.00 N ATOM 838 CA VAL A 90 -27.189 3.398 -1.735 1.00 0.00 C ATOM 839 C VAL A 90 -25.681 3.486 -1.496 1.00 0.00 C ATOM 840 O VAL A 90 -24.977 4.213 -2.169 1.00 0.00 O ATOM 841 CB VAL A 90 -27.899 4.479 -0.915 1.00 0.00 C ATOM 842 CG1 VAL A 90 -27.254 5.837 -1.195 1.00 0.00 C ATOM 843 CG2 VAL A 90 -29.378 4.526 -1.306 1.00 0.00 C ATOM 0 H VAL A 90 -28.245 2.045 -0.467 1.00 0.00 H new ATOM 0 HA VAL A 90 -27.399 3.548 -2.794 1.00 0.00 H new ATOM 0 HB VAL A 90 -27.811 4.247 0.146 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -27.759 6.607 -0.612 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -26.201 5.804 -0.917 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -27.342 6.070 -2.256 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -29.884 5.295 -0.723 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -29.467 4.758 -2.367 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -29.838 3.558 -1.107 1.00 0.00 H new ATOM 853 N ALA A 91 -25.180 2.751 -0.542 1.00 0.00 N ATOM 854 CA ALA A 91 -23.719 2.791 -0.257 1.00 0.00 C ATOM 855 C ALA A 91 -22.974 1.910 -1.263 1.00 0.00 C ATOM 856 O ALA A 91 -21.873 2.216 -1.674 1.00 0.00 O ATOM 857 CB ALA A 91 -23.464 2.275 1.159 1.00 0.00 C ATOM 0 H ALA A 91 -25.721 2.123 0.053 1.00 0.00 H new ATOM 0 HA ALA A 91 -23.361 3.817 -0.342 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -22.395 2.303 1.370 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -23.992 2.904 1.876 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -23.823 1.249 1.243 1.00 0.00 H new ATOM 863 N GLU A 92 -23.563 0.816 -1.661 1.00 0.00 N ATOM 864 CA GLU A 92 -22.884 -0.084 -2.636 1.00 0.00 C ATOM 865 C GLU A 92 -23.262 0.323 -4.063 1.00 0.00 C ATOM 866 O GLU A 92 -22.429 0.360 -4.947 1.00 0.00 O ATOM 867 CB GLU A 92 -23.318 -1.529 -2.387 1.00 0.00 C ATOM 868 CG GLU A 92 -22.676 -2.038 -1.095 1.00 0.00 C ATOM 869 CD GLU A 92 -22.905 -3.545 -0.970 1.00 0.00 C ATOM 870 OE1 GLU A 92 -23.435 -4.124 -1.905 1.00 0.00 O ATOM 871 OE2 GLU A 92 -22.548 -4.097 0.058 1.00 0.00 O ATOM 0 H GLU A 92 -24.485 0.506 -1.353 1.00 0.00 H new ATOM 0 HA GLU A 92 -21.804 -0.002 -2.510 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -24.404 -1.586 -2.313 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -23.022 -2.159 -3.226 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -21.608 -1.821 -1.097 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -23.104 -1.522 -0.236 1.00 0.00 H new ATOM 878 N LEU A 93 -24.509 0.628 -4.295 1.00 0.00 N ATOM 879 CA LEU A 93 -24.934 1.030 -5.666 1.00 0.00 C ATOM 880 C LEU A 93 -24.323 2.389 -6.010 1.00 0.00 C ATOM 881 O LEU A 93 -23.873 2.617 -7.115 1.00 0.00 O ATOM 882 CB LEU A 93 -26.459 1.134 -5.723 1.00 0.00 C ATOM 883 CG LEU A 93 -27.078 -0.237 -5.444 1.00 0.00 C ATOM 884 CD1 LEU A 93 -28.577 -0.188 -5.752 1.00 0.00 C ATOM 885 CD2 LEU A 93 -26.410 -1.291 -6.330 1.00 0.00 C ATOM 0 H LEU A 93 -25.251 0.616 -3.596 1.00 0.00 H new ATOM 0 HA LEU A 93 -24.594 0.282 -6.382 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -26.812 1.859 -4.990 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -26.773 1.493 -6.703 1.00 0.00 H new ATOM 0 HG LEU A 93 -26.928 -0.498 -4.396 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -29.021 -1.164 -5.554 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -29.054 0.562 -5.121 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -28.725 0.072 -6.800 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -26.852 -2.267 -6.130 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -26.559 -1.033 -7.378 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -25.342 -1.325 -6.113 1.00 0.00 H new ATOM 897 N ASN A 94 -24.308 3.296 -5.073 1.00 0.00 N ATOM 898 CA ASN A 94 -23.731 4.641 -5.350 1.00 0.00 C ATOM 899 C ASN A 94 -22.231 4.507 -5.617 1.00 0.00 C ATOM 900 O ASN A 94 -21.510 3.874 -4.871 1.00 0.00 O ATOM 901 CB ASN A 94 -23.953 5.551 -4.141 1.00 0.00 C ATOM 902 CG ASN A 94 -23.524 6.976 -4.493 1.00 0.00 C ATOM 903 OD1 ASN A 94 -23.313 7.293 -5.647 1.00 0.00 O ATOM 904 ND2 ASN A 94 -23.383 7.857 -3.540 1.00 0.00 N ATOM 0 H ASN A 94 -24.670 3.164 -4.129 1.00 0.00 H new ATOM 0 HA ASN A 94 -24.219 5.072 -6.224 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -25.003 5.537 -3.849 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -23.380 5.187 -3.288 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -23.096 8.810 -3.765 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -23.560 7.593 -2.571 1.00 0.00 H new ATOM 911 N GLY A 95 -21.753 5.102 -6.676 1.00 0.00 N ATOM 912 CA GLY A 95 -20.300 5.010 -6.991 1.00 0.00 C ATOM 913 C GLY A 95 -20.022 3.708 -7.745 1.00 0.00 C ATOM 914 O GLY A 95 -19.089 2.992 -7.443 1.00 0.00 O ATOM 0 H GLY A 95 -22.307 5.648 -7.336 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -19.993 5.864 -7.594 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -19.715 5.042 -6.072 1.00 0.00 H new ATOM 918 N THR A 96 -20.823 3.396 -8.727 1.00 0.00 N ATOM 919 CA THR A 96 -20.599 2.141 -9.497 1.00 0.00 C ATOM 920 C THR A 96 -20.665 2.443 -10.995 1.00 0.00 C ATOM 921 O THR A 96 -21.215 3.442 -11.413 1.00 0.00 O ATOM 922 CB THR A 96 -21.679 1.120 -9.134 1.00 0.00 C ATOM 923 OG1 THR A 96 -22.924 1.534 -9.680 1.00 0.00 O ATOM 924 CG2 THR A 96 -21.797 1.017 -7.613 1.00 0.00 C ATOM 0 H THR A 96 -21.621 3.955 -9.029 1.00 0.00 H new ATOM 0 HA THR A 96 -19.618 1.734 -9.251 1.00 0.00 H new ATOM 0 HB THR A 96 -21.409 0.146 -9.542 1.00 0.00 H new ATOM 0 HG1 THR A 96 -23.465 1.954 -8.979 1.00 0.00 H new ATOM 0 HG21 THR A 96 -22.567 0.289 -7.356 1.00 0.00 H new ATOM 0 HG22 THR A 96 -20.842 0.698 -7.195 1.00 0.00 H new ATOM 0 HG23 THR A 96 -22.066 1.990 -7.202 1.00 0.00 H new ATOM 932 N GLN A 97 -20.104 1.589 -11.807 1.00 0.00 N ATOM 933 CA GLN A 97 -20.134 1.831 -13.277 1.00 0.00 C ATOM 934 C GLN A 97 -20.531 0.544 -14.001 1.00 0.00 C ATOM 935 O GLN A 97 -20.480 -0.535 -13.444 1.00 0.00 O ATOM 936 CB GLN A 97 -18.748 2.277 -13.746 1.00 0.00 C ATOM 937 CG GLN A 97 -18.825 2.741 -15.201 1.00 0.00 C ATOM 938 CD GLN A 97 -17.455 3.260 -15.641 1.00 0.00 C ATOM 939 OE1 GLN A 97 -16.564 3.422 -14.830 1.00 0.00 O ATOM 940 NE2 GLN A 97 -17.247 3.531 -16.901 1.00 0.00 N ATOM 0 H GLN A 97 -19.627 0.736 -11.516 1.00 0.00 H new ATOM 0 HA GLN A 97 -20.863 2.610 -13.503 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -18.382 3.086 -13.114 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -18.039 1.454 -13.653 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -19.137 1.916 -15.842 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -19.574 3.526 -15.305 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -17.994 3.395 -17.582 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -16.337 3.878 -17.205 1.00 0.00 H new ATOM 949 N VAL A 98 -20.927 0.649 -15.239 1.00 0.00 N ATOM 950 CA VAL A 98 -21.330 -0.568 -16.003 1.00 0.00 C ATOM 951 C VAL A 98 -20.397 -0.741 -17.200 1.00 0.00 C ATOM 952 O VAL A 98 -19.352 -0.126 -17.279 1.00 0.00 O ATOM 953 CB VAL A 98 -22.774 -0.424 -16.509 1.00 0.00 C ATOM 954 CG1 VAL A 98 -23.556 -1.696 -16.175 1.00 0.00 C ATOM 955 CG2 VAL A 98 -23.453 0.778 -15.846 1.00 0.00 C ATOM 0 H VAL A 98 -20.990 1.526 -15.757 1.00 0.00 H new ATOM 0 HA VAL A 98 -21.266 -1.436 -15.347 1.00 0.00 H new ATOM 0 HB VAL A 98 -22.758 -0.270 -17.588 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -24.581 -1.597 -16.533 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -23.084 -2.551 -16.659 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -23.561 -1.847 -15.096 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -24.475 0.867 -16.214 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -23.468 0.637 -14.765 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -22.900 1.686 -16.086 1.00 0.00 H new ATOM 965 N GLU A 99 -20.765 -1.570 -18.138 1.00 0.00 N ATOM 966 CA GLU A 99 -19.899 -1.775 -19.332 1.00 0.00 C ATOM 967 C GLU A 99 -19.600 -0.419 -19.971 1.00 0.00 C ATOM 968 O GLU A 99 -18.646 -0.264 -20.708 1.00 0.00 O ATOM 969 CB GLU A 99 -20.621 -2.669 -20.341 1.00 0.00 C ATOM 970 CG GLU A 99 -20.824 -4.059 -19.738 1.00 0.00 C ATOM 971 CD GLU A 99 -21.495 -4.970 -20.767 1.00 0.00 C ATOM 972 OE1 GLU A 99 -21.914 -4.462 -21.794 1.00 0.00 O ATOM 973 OE2 GLU A 99 -21.578 -6.160 -20.511 1.00 0.00 O ATOM 0 H GLU A 99 -21.628 -2.114 -18.129 1.00 0.00 H new ATOM 0 HA GLU A 99 -18.967 -2.253 -19.032 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -21.584 -2.232 -20.606 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -20.040 -2.741 -21.260 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -19.865 -4.479 -19.436 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -21.439 -3.991 -18.841 1.00 0.00 H new ATOM 980 N SER A 100 -20.408 0.568 -19.691 1.00 0.00 N ATOM 981 CA SER A 100 -20.172 1.916 -20.278 1.00 0.00 C ATOM 982 C SER A 100 -21.242 2.888 -19.775 1.00 0.00 C ATOM 983 O SER A 100 -21.664 3.783 -20.482 1.00 0.00 O ATOM 984 CB SER A 100 -20.237 1.827 -21.804 1.00 0.00 C ATOM 985 OG SER A 100 -20.964 0.667 -22.180 1.00 0.00 O ATOM 0 H SER A 100 -21.222 0.498 -19.080 1.00 0.00 H new ATOM 0 HA SER A 100 -19.188 2.275 -19.978 1.00 0.00 H new ATOM 0 HB2 SER A 100 -20.716 2.717 -22.211 1.00 0.00 H new ATOM 0 HB3 SER A 100 -19.230 1.789 -22.220 1.00 0.00 H new ATOM 0 HG SER A 100 -21.007 0.611 -23.157 1.00 0.00 H new ATOM 991 N VAL A 101 -21.683 2.721 -18.558 1.00 0.00 N ATOM 992 CA VAL A 101 -22.722 3.636 -18.008 1.00 0.00 C ATOM 993 C VAL A 101 -22.410 3.932 -16.538 1.00 0.00 C ATOM 994 O VAL A 101 -21.593 3.275 -15.923 1.00 0.00 O ATOM 995 CB VAL A 101 -24.097 2.969 -18.121 1.00 0.00 C ATOM 996 CG1 VAL A 101 -25.109 3.716 -17.247 1.00 0.00 C ATOM 997 CG2 VAL A 101 -24.561 3.004 -19.579 1.00 0.00 C ATOM 0 H VAL A 101 -21.368 1.990 -17.921 1.00 0.00 H new ATOM 0 HA VAL A 101 -22.726 4.569 -18.571 1.00 0.00 H new ATOM 0 HB VAL A 101 -24.024 1.935 -17.784 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -26.085 3.238 -17.331 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -24.781 3.691 -16.208 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -25.182 4.751 -17.579 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -25.539 2.530 -19.661 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -24.630 4.039 -19.914 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -23.845 2.468 -20.202 1.00 0.00 H new ATOM 1007 N GLN A 102 -23.053 4.915 -15.969 1.00 0.00 N ATOM 1008 CA GLN A 102 -22.791 5.250 -14.542 1.00 0.00 C ATOM 1009 C GLN A 102 -24.119 5.508 -13.827 1.00 0.00 C ATOM 1010 O GLN A 102 -24.910 6.331 -14.244 1.00 0.00 O ATOM 1011 CB GLN A 102 -21.918 6.502 -14.462 1.00 0.00 C ATOM 1012 CG GLN A 102 -20.553 6.210 -15.090 1.00 0.00 C ATOM 1013 CD GLN A 102 -19.655 7.442 -14.957 1.00 0.00 C ATOM 1014 OE1 GLN A 102 -20.127 8.525 -14.675 1.00 0.00 O ATOM 1015 NE2 GLN A 102 -18.371 7.320 -15.151 1.00 0.00 N ATOM 0 H GLN A 102 -23.749 5.500 -16.432 1.00 0.00 H new ATOM 0 HA GLN A 102 -22.275 4.418 -14.063 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -22.401 7.329 -14.982 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -21.795 6.807 -13.423 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -20.090 5.355 -14.598 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -20.673 5.946 -16.141 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -17.975 6.410 -15.388 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -17.763 8.134 -15.066 1.00 0.00 H new ATOM 1024 N LEU A 103 -24.370 4.812 -12.753 1.00 0.00 N ATOM 1025 CA LEU A 103 -25.644 5.019 -12.011 1.00 0.00 C ATOM 1026 C LEU A 103 -25.402 5.967 -10.836 1.00 0.00 C ATOM 1027 O LEU A 103 -24.288 6.136 -10.382 1.00 0.00 O ATOM 1028 CB LEU A 103 -26.150 3.674 -11.483 1.00 0.00 C ATOM 1029 CG LEU A 103 -27.638 3.784 -11.147 1.00 0.00 C ATOM 1030 CD1 LEU A 103 -28.388 2.598 -11.756 1.00 0.00 C ATOM 1031 CD2 LEU A 103 -27.819 3.775 -9.627 1.00 0.00 C ATOM 0 H LEU A 103 -23.747 4.108 -12.357 1.00 0.00 H new ATOM 0 HA LEU A 103 -26.388 5.452 -12.680 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -25.992 2.896 -12.229 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -25.587 3.384 -10.596 1.00 0.00 H new ATOM 0 HG LEU A 103 -28.035 4.713 -11.556 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -29.448 2.676 -11.517 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -28.259 2.603 -12.838 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -27.992 1.668 -11.348 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -28.879 3.853 -9.386 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -27.422 2.846 -9.219 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -27.285 4.620 -9.192 1.00 0.00 H new ATOM 1043 N LYS A 104 -26.438 6.584 -10.336 1.00 0.00 N ATOM 1044 CA LYS A 104 -26.267 7.516 -9.187 1.00 0.00 C ATOM 1045 C LYS A 104 -27.431 7.332 -8.213 1.00 0.00 C ATOM 1046 O LYS A 104 -28.583 7.331 -8.600 1.00 0.00 O ATOM 1047 CB LYS A 104 -26.245 8.960 -9.698 1.00 0.00 C ATOM 1048 CG LYS A 104 -24.959 9.201 -10.491 1.00 0.00 C ATOM 1049 CD LYS A 104 -24.908 10.660 -10.950 1.00 0.00 C ATOM 1050 CE LYS A 104 -23.762 10.842 -11.949 1.00 0.00 C ATOM 1051 NZ LYS A 104 -23.009 12.084 -11.618 1.00 0.00 N ATOM 0 H LYS A 104 -27.395 6.482 -10.674 1.00 0.00 H new ATOM 0 HA LYS A 104 -25.328 7.302 -8.677 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -27.114 9.147 -10.329 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -26.304 9.655 -8.860 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -24.090 8.972 -9.874 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -24.921 8.536 -11.354 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -25.855 10.940 -11.412 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -24.765 11.317 -10.092 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -23.096 9.980 -11.916 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -24.156 10.902 -12.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -22.230 12.209 -12.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -23.649 12.902 -11.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -22.622 12.009 -10.656 1.00 0.00 H new ATOM 1065 N VAL A 105 -27.142 7.170 -6.950 1.00 0.00 N ATOM 1066 CA VAL A 105 -28.235 6.979 -5.955 1.00 0.00 C ATOM 1067 C VAL A 105 -28.338 8.213 -5.057 1.00 0.00 C ATOM 1068 O VAL A 105 -27.344 8.774 -4.639 1.00 0.00 O ATOM 1069 CB VAL A 105 -27.933 5.749 -5.095 1.00 0.00 C ATOM 1070 CG1 VAL A 105 -29.069 5.534 -4.096 1.00 0.00 C ATOM 1071 CG2 VAL A 105 -27.802 4.517 -5.993 1.00 0.00 C ATOM 0 H VAL A 105 -26.197 7.162 -6.565 1.00 0.00 H new ATOM 0 HA VAL A 105 -29.179 6.835 -6.481 1.00 0.00 H new ATOM 0 HB VAL A 105 -26.999 5.905 -4.555 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -28.854 4.658 -3.484 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -29.161 6.411 -3.455 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -30.003 5.379 -4.635 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -27.587 3.641 -5.380 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -28.735 4.361 -6.535 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -26.991 4.670 -6.705 1.00 0.00 H new ATOM 1081 N ASN A 106 -29.534 8.637 -4.755 1.00 0.00 N ATOM 1082 CA ASN A 106 -29.705 9.830 -3.881 1.00 0.00 C ATOM 1083 C ASN A 106 -30.798 9.543 -2.849 1.00 0.00 C ATOM 1084 O ASN A 106 -31.391 8.483 -2.841 1.00 0.00 O ATOM 1085 CB ASN A 106 -30.109 11.036 -4.733 1.00 0.00 C ATOM 1086 CG ASN A 106 -28.920 11.473 -5.593 1.00 0.00 C ATOM 1087 OD1 ASN A 106 -27.797 11.084 -5.341 1.00 0.00 O ATOM 1088 ND2 ASN A 106 -29.122 12.272 -6.605 1.00 0.00 N ATOM 0 H ASN A 106 -30.401 8.208 -5.077 1.00 0.00 H new ATOM 0 HA ASN A 106 -28.767 10.049 -3.371 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -30.956 10.779 -5.368 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -30.429 11.857 -4.092 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -28.337 12.570 -7.184 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -30.065 12.599 -6.817 1.00 0.00 H new ATOM 1095 N ILE A 107 -31.070 10.475 -1.976 1.00 0.00 N ATOM 1096 CA ILE A 107 -32.124 10.244 -0.948 1.00 0.00 C ATOM 1097 C ILE A 107 -33.298 11.193 -1.194 1.00 0.00 C ATOM 1098 O ILE A 107 -33.123 12.383 -1.366 1.00 0.00 O ATOM 1099 CB ILE A 107 -31.547 10.499 0.444 1.00 0.00 C ATOM 1100 CG1 ILE A 107 -30.245 9.714 0.611 1.00 0.00 C ATOM 1101 CG2 ILE A 107 -32.555 10.045 1.502 1.00 0.00 C ATOM 1102 CD1 ILE A 107 -30.473 8.256 0.208 1.00 0.00 C ATOM 0 H ILE A 107 -30.609 11.384 -1.930 1.00 0.00 H new ATOM 0 HA ILE A 107 -32.471 9.213 -1.014 1.00 0.00 H new ATOM 0 HB ILE A 107 -31.345 11.563 0.564 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -29.461 10.154 -0.005 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -29.906 9.768 1.645 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -32.146 10.226 2.496 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -33.483 10.605 1.384 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -32.756 8.981 1.380 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -29.545 7.696 0.327 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -31.244 7.819 0.843 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -30.792 8.212 -0.833 1.00 0.00 H new ATOM 1114 N ALA A 108 -34.497 10.675 -1.206 1.00 0.00 N ATOM 1115 CA ALA A 108 -35.682 11.547 -1.436 1.00 0.00 C ATOM 1116 C ALA A 108 -36.396 11.797 -0.107 1.00 0.00 C ATOM 1117 O ALA A 108 -36.382 10.967 0.781 1.00 0.00 O ATOM 1118 CB ALA A 108 -36.641 10.858 -2.409 1.00 0.00 C ATOM 0 H ALA A 108 -34.706 9.686 -1.066 1.00 0.00 H new ATOM 0 HA ALA A 108 -35.357 12.498 -1.858 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -37.509 11.496 -2.578 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -36.132 10.679 -3.356 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -36.966 9.907 -1.987 1.00 0.00 H new