USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 587 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 30 GLN : amide:sc= -3.41! C(o=-3.4!,f=-3.8!) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -0.854 K(o=-0.85,f=-1.7!) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= -0.0151 X(o=-0.015,f=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -1.4 K(o=-1.4,f=-3.3) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 SER OG : rot 130:sc= -1.05 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 165:sc= -0.404 USER MOD Single : A 81 THR OG1 : rot 180:sc= -0.486 USER MOD Single : A 82 GLN : amide:sc= 0.0688 X(o=0.069,f=-0.076) USER MOD Single : A 84 SER OG : rot 180:sc= -0.508 USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 GLN : amide:sc= -0.031 X(o=-0.031,f=-0.14) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= -1.95 K(o=-1.9,f=-1) USER MOD Single : A 100 ASN : amide:sc= -1.56 X(o=-1.6,f=-1.8!) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 114 N GLN A 30 -8.466 4.816 -16.879 1.00 33.44 N ATOM 115 CA GLN A 30 -9.020 6.049 -17.424 1.00 44.41 C ATOM 116 C GLN A 30 -10.381 6.354 -16.808 1.00 52.35 C ATOM 117 O GLN A 30 -11.169 7.118 -17.366 1.00 53.22 O ATOM 118 CB GLN A 30 -9.145 5.948 -18.945 1.00 55.11 C ATOM 119 CG GLN A 30 -7.925 5.341 -19.618 1.00 22.25 C ATOM 120 CD GLN A 30 -7.904 5.579 -21.115 1.00 31.05 C ATOM 121 OE1 GLN A 30 -8.894 6.022 -21.698 1.00 70.51 O ATOM 122 NE2 GLN A 30 -6.773 5.286 -21.745 1.00 41.13 N ATOM 0 HA GLN A 30 -8.340 6.864 -17.176 1.00 44.41 H new ATOM 0 HB2 GLN A 30 -10.021 5.347 -19.190 1.00 55.11 H new ATOM 0 HB3 GLN A 30 -9.317 6.944 -19.354 1.00 55.11 H new ATOM 0 HG2 GLN A 30 -7.023 5.763 -19.174 1.00 22.25 H new ATOM 0 HG3 GLN A 30 -7.904 4.269 -19.424 1.00 22.25 H new ATOM 0 HE21 GLN A 30 -5.977 4.921 -21.221 1.00 41.13 H new ATOM 0 HE22 GLN A 30 -6.700 5.426 -22.753 1.00 41.13 H new ATOM 131 N VAL A 31 -10.652 5.752 -15.655 1.00 30.31 N ATOM 132 CA VAL A 31 -11.918 5.959 -14.963 1.00 14.32 C ATOM 133 C VAL A 31 -11.705 6.117 -13.462 1.00 2.04 C ATOM 134 O VAL A 31 -10.770 5.552 -12.894 1.00 3.32 O ATOM 135 CB VAL A 31 -12.892 4.792 -15.212 1.00 10.01 C ATOM 136 CG1 VAL A 31 -13.088 4.569 -16.704 1.00 22.23 C ATOM 137 CG2 VAL A 31 -12.388 3.525 -14.536 1.00 54.45 C ATOM 0 H VAL A 31 -10.011 5.116 -15.180 1.00 30.31 H new ATOM 0 HA VAL A 31 -12.351 6.875 -15.364 1.00 14.32 H new ATOM 0 HB VAL A 31 -13.858 5.048 -14.778 1.00 10.01 H new ATOM 0 HG11 VAL A 31 -13.779 3.741 -16.860 1.00 22.23 H new ATOM 0 HG12 VAL A 31 -13.496 5.473 -17.156 1.00 22.23 H new ATOM 0 HG13 VAL A 31 -12.129 4.334 -17.166 1.00 22.23 H new ATOM 0 HG21 VAL A 31 -13.088 2.710 -14.722 1.00 54.45 H new ATOM 0 HG22 VAL A 31 -11.410 3.262 -14.939 1.00 54.45 H new ATOM 0 HG23 VAL A 31 -12.305 3.694 -13.462 1.00 54.45 H new ATOM 147 N VAL A 32 -12.579 6.889 -12.823 1.00 23.41 N ATOM 148 CA VAL A 32 -12.487 7.120 -11.386 1.00 53.02 C ATOM 149 C VAL A 32 -13.819 6.840 -10.699 1.00 23.44 C ATOM 150 O VAL A 32 -14.883 7.170 -11.223 1.00 41.44 O ATOM 151 CB VAL A 32 -12.057 8.566 -11.077 1.00 3.21 C ATOM 152 CG1 VAL A 32 -10.798 8.926 -11.852 1.00 11.04 C ATOM 153 CG2 VAL A 32 -13.184 9.537 -11.395 1.00 31.32 C ATOM 0 H VAL A 32 -13.358 7.365 -13.278 1.00 23.41 H new ATOM 0 HA VAL A 32 -11.732 6.434 -11.002 1.00 53.02 H new ATOM 0 HB VAL A 32 -11.834 8.640 -10.013 1.00 3.21 H new ATOM 0 HG11 VAL A 32 -10.509 9.951 -11.621 1.00 11.04 H new ATOM 0 HG12 VAL A 32 -9.991 8.249 -11.570 1.00 11.04 H new ATOM 0 HG13 VAL A 32 -10.990 8.835 -12.921 1.00 11.04 H new ATOM 0 HG21 VAL A 32 -12.862 10.554 -11.170 1.00 31.32 H new ATOM 0 HG22 VAL A 32 -13.441 9.463 -12.452 1.00 31.32 H new ATOM 0 HG23 VAL A 32 -14.057 9.291 -10.791 1.00 31.32 H new ATOM 163 N LEU A 33 -13.753 6.228 -9.521 1.00 42.31 N ATOM 164 CA LEU A 33 -14.954 5.903 -8.760 1.00 2.25 C ATOM 165 C LEU A 33 -15.097 6.822 -7.551 1.00 14.24 C ATOM 166 O LEU A 33 -14.219 6.873 -6.689 1.00 61.43 O ATOM 167 CB LEU A 33 -14.913 4.444 -8.303 1.00 63.20 C ATOM 168 CG LEU A 33 -15.674 4.121 -7.017 1.00 4.24 C ATOM 169 CD1 LEU A 33 -17.133 4.531 -7.142 1.00 43.14 C ATOM 170 CD2 LEU A 33 -15.560 2.640 -6.687 1.00 73.11 C ATOM 0 H LEU A 33 -12.881 5.947 -9.073 1.00 42.31 H new ATOM 0 HA LEU A 33 -15.817 6.050 -9.410 1.00 2.25 H new ATOM 0 HB2 LEU A 33 -15.313 3.822 -9.104 1.00 63.20 H new ATOM 0 HB3 LEU A 33 -13.871 4.156 -8.166 1.00 63.20 H new ATOM 0 HG LEU A 33 -15.227 4.690 -6.201 1.00 4.24 H new ATOM 0 HD11 LEU A 33 -17.658 4.293 -6.217 1.00 43.14 H new ATOM 0 HD12 LEU A 33 -17.195 5.603 -7.329 1.00 43.14 H new ATOM 0 HD13 LEU A 33 -17.593 3.991 -7.970 1.00 43.14 H new ATOM 0 HD21 LEU A 33 -16.108 2.429 -5.769 1.00 73.11 H new ATOM 0 HD22 LEU A 33 -15.980 2.052 -7.503 1.00 73.11 H new ATOM 0 HD23 LEU A 33 -14.511 2.377 -6.552 1.00 73.11 H new ATOM 182 N ILE A 34 -16.211 7.545 -7.493 1.00 3.34 N ATOM 183 CA ILE A 34 -16.470 8.460 -6.387 1.00 74.45 C ATOM 184 C ILE A 34 -17.619 7.959 -5.519 1.00 13.44 C ATOM 185 O ILE A 34 -18.534 7.291 -6.002 1.00 41.34 O ATOM 186 CB ILE A 34 -16.804 9.875 -6.894 1.00 44.24 C ATOM 187 CG1 ILE A 34 -18.057 9.845 -7.772 1.00 24.51 C ATOM 188 CG2 ILE A 34 -15.625 10.453 -7.664 1.00 53.11 C ATOM 189 CD1 ILE A 34 -17.757 9.868 -9.254 1.00 42.34 C ATOM 0 H ILE A 34 -16.948 7.515 -8.198 1.00 3.34 H new ATOM 0 HA ILE A 34 -15.558 8.502 -5.791 1.00 74.45 H new ATOM 0 HB ILE A 34 -17.002 10.515 -6.034 1.00 44.24 H new ATOM 0 HG12 ILE A 34 -18.632 8.949 -7.540 1.00 24.51 H new ATOM 0 HG13 ILE A 34 -18.686 10.700 -7.523 1.00 24.51 H new ATOM 0 HG21 ILE A 34 -15.876 11.454 -8.016 1.00 53.11 H new ATOM 0 HG22 ILE A 34 -14.754 10.506 -7.010 1.00 53.11 H new ATOM 0 HG23 ILE A 34 -15.399 9.814 -8.518 1.00 53.11 H new ATOM 0 HD11 ILE A 34 -18.691 9.845 -9.815 1.00 42.34 H new ATOM 0 HD12 ILE A 34 -17.209 10.777 -9.500 1.00 42.34 H new ATOM 0 HD13 ILE A 34 -17.154 8.999 -9.517 1.00 42.34 H new ATOM 201 N THR A 35 -17.568 8.289 -4.232 1.00 23.45 N ATOM 202 CA THR A 35 -18.604 7.874 -3.294 1.00 62.24 C ATOM 203 C THR A 35 -18.852 8.946 -2.239 1.00 61.33 C ATOM 204 O THR A 35 -18.302 10.044 -2.315 1.00 74.34 O ATOM 205 CB THR A 35 -18.231 6.555 -2.592 1.00 23.22 C ATOM 206 OG1 THR A 35 -17.091 6.755 -1.748 1.00 34.43 O ATOM 207 CG2 THR A 35 -17.929 5.466 -3.610 1.00 62.23 C ATOM 0 H THR A 35 -16.820 8.843 -3.815 1.00 23.45 H new ATOM 0 HA THR A 35 -19.514 7.723 -3.875 1.00 62.24 H new ATOM 0 HB THR A 35 -19.081 6.239 -1.987 1.00 23.22 H new ATOM 0 HG1 THR A 35 -16.861 5.912 -1.304 1.00 34.43 H new ATOM 0 HG21 THR A 35 -17.668 4.544 -3.090 1.00 62.23 H new ATOM 0 HG22 THR A 35 -18.808 5.296 -4.232 1.00 62.23 H new ATOM 0 HG23 THR A 35 -17.094 5.777 -4.238 1.00 62.23 H new ATOM 215 N ASN A 36 -19.683 8.619 -1.255 1.00 2.24 N ATOM 216 CA ASN A 36 -20.003 9.555 -0.183 1.00 54.21 C ATOM 217 C ASN A 36 -20.767 10.760 -0.724 1.00 3.50 C ATOM 218 O ASN A 36 -20.774 11.829 -0.112 1.00 34.35 O ATOM 219 CB ASN A 36 -18.724 10.019 0.517 1.00 54.45 C ATOM 220 CG ASN A 36 -18.615 9.489 1.933 1.00 12.10 C ATOM 221 OD1 ASN A 36 -19.251 8.496 2.287 1.00 62.24 O ATOM 222 ND2 ASN A 36 -17.806 10.151 2.752 1.00 53.51 N ATOM 0 H ASN A 36 -20.147 7.714 -1.177 1.00 2.24 H new ATOM 0 HA ASN A 36 -20.636 9.040 0.539 1.00 54.21 H new ATOM 0 HB2 ASN A 36 -17.859 9.691 -0.059 1.00 54.45 H new ATOM 0 HB3 ASN A 36 -18.699 11.109 0.537 1.00 54.45 H new ATOM 0 HD21 ASN A 36 -17.692 9.841 3.717 1.00 53.51 H new ATOM 0 HD22 ASN A 36 -17.298 10.969 2.416 1.00 53.51 H new ATOM 229 N ILE A 37 -21.407 10.581 -1.874 1.00 73.41 N ATOM 230 CA ILE A 37 -22.175 11.652 -2.496 1.00 43.41 C ATOM 231 C ILE A 37 -23.622 11.642 -2.016 1.00 51.31 C ATOM 232 O ILE A 37 -24.247 10.587 -1.919 1.00 40.12 O ATOM 233 CB ILE A 37 -22.154 11.541 -4.032 1.00 53.21 C ATOM 234 CG1 ILE A 37 -22.607 10.147 -4.470 1.00 63.23 C ATOM 235 CG2 ILE A 37 -20.763 11.845 -4.567 1.00 24.14 C ATOM 236 CD1 ILE A 37 -22.798 10.016 -5.965 1.00 75.20 C ATOM 0 H ILE A 37 -21.409 9.704 -2.394 1.00 73.41 H new ATOM 0 HA ILE A 37 -21.704 12.590 -2.201 1.00 43.41 H new ATOM 0 HB ILE A 37 -22.848 12.274 -4.444 1.00 53.21 H new ATOM 0 HG12 ILE A 37 -21.871 9.414 -4.140 1.00 63.23 H new ATOM 0 HG13 ILE A 37 -23.544 9.904 -3.969 1.00 63.23 H new ATOM 0 HG21 ILE A 37 -20.765 11.762 -5.654 1.00 24.14 H new ATOM 0 HG22 ILE A 37 -20.476 12.857 -4.281 1.00 24.14 H new ATOM 0 HG23 ILE A 37 -20.050 11.134 -4.150 1.00 24.14 H new ATOM 0 HD11 ILE A 37 -23.119 9.002 -6.203 1.00 75.20 H new ATOM 0 HD12 ILE A 37 -23.556 10.725 -6.298 1.00 75.20 H new ATOM 0 HD13 ILE A 37 -21.856 10.227 -6.472 1.00 75.20 H new ATOM 248 N ASN A 38 -24.149 12.825 -1.719 1.00 14.54 N ATOM 249 CA ASN A 38 -25.524 12.953 -1.250 1.00 15.32 C ATOM 250 C ASN A 38 -26.510 12.772 -2.400 1.00 14.10 C ATOM 251 O ASN A 38 -26.494 13.509 -3.386 1.00 61.44 O ATOM 252 CB ASN A 38 -25.736 14.318 -0.592 1.00 52.41 C ATOM 253 CG ASN A 38 -26.416 14.210 0.759 1.00 22.13 C ATOM 254 OD1 ASN A 38 -27.607 13.911 0.845 1.00 0.03 O ATOM 255 ND2 ASN A 38 -25.659 14.453 1.823 1.00 11.21 N ATOM 0 H ASN A 38 -23.645 13.709 -1.795 1.00 14.54 H new ATOM 0 HA ASN A 38 -25.704 12.170 -0.513 1.00 15.32 H new ATOM 0 HB2 ASN A 38 -24.773 14.814 -0.472 1.00 52.41 H new ATOM 0 HB3 ASN A 38 -26.338 14.945 -1.249 1.00 52.41 H new ATOM 0 HD21 ASN A 38 -26.061 14.395 2.759 1.00 11.21 H new ATOM 0 HD22 ASN A 38 -24.676 14.698 1.704 1.00 11.21 H new ATOM 262 N PRO A 39 -27.391 11.768 -2.272 1.00 10.52 N ATOM 263 CA PRO A 39 -28.402 11.467 -3.290 1.00 2.40 C ATOM 264 C PRO A 39 -29.485 12.538 -3.366 1.00 44.33 C ATOM 265 O PRO A 39 -30.335 12.511 -4.255 1.00 61.03 O ATOM 266 CB PRO A 39 -28.996 10.138 -2.817 1.00 54.44 C ATOM 267 CG PRO A 39 -28.764 10.121 -1.346 1.00 11.40 C ATOM 268 CD PRO A 39 -27.468 10.851 -1.123 1.00 32.32 C ATOM 0 HA PRO A 39 -27.973 11.426 -4.291 1.00 2.40 H new ATOM 0 HB2 PRO A 39 -30.059 10.074 -3.051 1.00 54.44 H new ATOM 0 HB3 PRO A 39 -28.511 9.292 -3.304 1.00 54.44 H new ATOM 0 HG2 PRO A 39 -29.583 10.608 -0.816 1.00 11.40 H new ATOM 0 HG3 PRO A 39 -28.706 9.099 -0.972 1.00 11.40 H new ATOM 0 HD2 PRO A 39 -27.469 11.392 -0.177 1.00 32.32 H new ATOM 0 HD3 PRO A 39 -26.620 10.166 -1.098 1.00 32.32 H new ATOM 276 N GLU A 40 -29.446 13.480 -2.429 1.00 13.11 N ATOM 277 CA GLU A 40 -30.426 14.560 -2.391 1.00 63.23 C ATOM 278 C GLU A 40 -30.521 15.255 -3.746 1.00 53.13 C ATOM 279 O GLU A 40 -31.566 15.797 -4.106 1.00 54.03 O ATOM 280 CB GLU A 40 -30.056 15.576 -1.309 1.00 42.31 C ATOM 281 CG GLU A 40 -31.083 15.680 -0.195 1.00 34.04 C ATOM 282 CD GLU A 40 -31.576 17.099 0.014 1.00 32.35 C ATOM 283 OE1 GLU A 40 -30.791 18.040 -0.225 1.00 51.11 O ATOM 284 OE2 GLU A 40 -32.746 17.268 0.418 1.00 63.23 O ATOM 0 H GLU A 40 -28.747 13.518 -1.687 1.00 13.11 H new ATOM 0 HA GLU A 40 -31.398 14.127 -2.155 1.00 63.23 H new ATOM 0 HB2 GLU A 40 -29.093 15.302 -0.879 1.00 42.31 H new ATOM 0 HB3 GLU A 40 -29.932 16.556 -1.770 1.00 42.31 H new ATOM 0 HG2 GLU A 40 -31.931 15.035 -0.426 1.00 34.04 H new ATOM 0 HG3 GLU A 40 -30.646 15.311 0.733 1.00 34.04 H new ATOM 291 N VAL A 41 -29.422 15.236 -4.494 1.00 31.34 N ATOM 292 CA VAL A 41 -29.381 15.863 -5.809 1.00 41.20 C ATOM 293 C VAL A 41 -29.630 14.842 -6.913 1.00 71.02 C ATOM 294 O VAL A 41 -29.063 13.749 -6.922 1.00 12.14 O ATOM 295 CB VAL A 41 -28.027 16.554 -6.059 1.00 61.54 C ATOM 296 CG1 VAL A 41 -26.884 15.563 -5.896 1.00 11.11 C ATOM 297 CG2 VAL A 41 -28.000 17.188 -7.442 1.00 32.51 C ATOM 0 H VAL A 41 -28.548 14.793 -4.211 1.00 31.34 H new ATOM 0 HA VAL A 41 -30.172 16.613 -5.827 1.00 41.20 H new ATOM 0 HB VAL A 41 -27.900 17.344 -5.319 1.00 61.54 H new ATOM 0 HG11 VAL A 41 -25.935 16.069 -6.076 1.00 11.11 H new ATOM 0 HG12 VAL A 41 -26.894 15.160 -4.883 1.00 11.11 H new ATOM 0 HG13 VAL A 41 -27.003 14.749 -6.611 1.00 11.11 H new ATOM 0 HG21 VAL A 41 -27.036 17.672 -7.602 1.00 32.51 H new ATOM 0 HG22 VAL A 41 -28.149 16.418 -8.198 1.00 32.51 H new ATOM 0 HG23 VAL A 41 -28.795 17.930 -7.518 1.00 32.51 H new ATOM 307 N PRO A 42 -30.499 15.204 -7.869 1.00 45.11 N ATOM 308 CA PRO A 42 -30.842 14.334 -8.997 1.00 73.43 C ATOM 309 C PRO A 42 -29.684 14.168 -9.975 1.00 73.43 C ATOM 310 O PRO A 42 -28.944 15.114 -10.244 1.00 53.21 O ATOM 311 CB PRO A 42 -32.008 15.065 -9.668 1.00 3.43 C ATOM 312 CG PRO A 42 -31.820 16.496 -9.297 1.00 42.24 C ATOM 313 CD PRO A 42 -31.211 16.492 -7.922 1.00 73.44 C ATOM 0 HA PRO A 42 -31.086 13.323 -8.671 1.00 73.43 H new ATOM 0 HB2 PRO A 42 -31.990 14.931 -10.750 1.00 3.43 H new ATOM 0 HB3 PRO A 42 -32.968 14.687 -9.316 1.00 3.43 H new ATOM 0 HG2 PRO A 42 -31.169 17.002 -10.010 1.00 42.24 H new ATOM 0 HG3 PRO A 42 -32.771 17.028 -9.301 1.00 42.24 H new ATOM 0 HD2 PRO A 42 -30.532 17.333 -7.781 1.00 73.44 H new ATOM 0 HD3 PRO A 42 -31.972 16.563 -7.145 1.00 73.44 H new ATOM 321 N LYS A 43 -29.533 12.959 -10.506 1.00 24.13 N ATOM 322 CA LYS A 43 -28.466 12.668 -11.456 1.00 5.21 C ATOM 323 C LYS A 43 -28.387 13.746 -12.532 1.00 4.41 C ATOM 324 O LYS A 43 -27.304 14.075 -13.015 1.00 4.00 O ATOM 325 CB LYS A 43 -28.691 11.301 -12.105 1.00 31.31 C ATOM 326 CG LYS A 43 -27.836 11.064 -13.337 1.00 64.14 C ATOM 327 CD LYS A 43 -28.596 11.382 -14.614 1.00 35.43 C ATOM 328 CE LYS A 43 -28.175 10.470 -15.756 1.00 22.33 C ATOM 329 NZ LYS A 43 -28.963 9.206 -15.776 1.00 42.35 N ATOM 0 H LYS A 43 -30.137 12.165 -10.294 1.00 24.13 H new ATOM 0 HA LYS A 43 -27.522 12.653 -10.911 1.00 5.21 H new ATOM 0 HB2 LYS A 43 -28.481 10.522 -11.372 1.00 31.31 H new ATOM 0 HB3 LYS A 43 -29.742 11.207 -12.379 1.00 31.31 H new ATOM 0 HG2 LYS A 43 -26.940 11.682 -13.283 1.00 64.14 H new ATOM 0 HG3 LYS A 43 -27.507 10.025 -13.358 1.00 64.14 H new ATOM 0 HD2 LYS A 43 -29.666 11.275 -14.438 1.00 35.43 H new ATOM 0 HD3 LYS A 43 -28.421 12.421 -14.893 1.00 35.43 H new ATOM 0 HE2 LYS A 43 -28.303 10.993 -16.704 1.00 22.33 H new ATOM 0 HE3 LYS A 43 -27.115 10.236 -15.662 1.00 22.33 H new ATOM 0 HZ1 LYS A 43 -28.646 8.612 -16.569 1.00 42.35 H new ATOM 0 HZ2 LYS A 43 -28.821 8.694 -14.882 1.00 42.35 H new ATOM 0 HZ3 LYS A 43 -29.972 9.428 -15.892 1.00 42.35 H new ATOM 343 N GLU A 44 -29.541 14.294 -12.901 1.00 65.40 N ATOM 344 CA GLU A 44 -29.600 15.335 -13.920 1.00 10.44 C ATOM 345 C GLU A 44 -28.616 16.459 -13.606 1.00 53.24 C ATOM 346 O GLU A 44 -27.767 16.803 -14.428 1.00 45.32 O ATOM 347 CB GLU A 44 -31.019 15.899 -14.022 1.00 60.33 C ATOM 348 CG GLU A 44 -31.881 15.193 -15.056 1.00 4.10 C ATOM 349 CD GLU A 44 -33.332 15.630 -15.002 1.00 63.11 C ATOM 350 OE1 GLU A 44 -33.639 16.571 -14.241 1.00 35.24 O ATOM 351 OE2 GLU A 44 -34.159 15.031 -15.721 1.00 11.44 O ATOM 0 H GLU A 44 -30.446 14.034 -12.510 1.00 65.40 H new ATOM 0 HA GLU A 44 -29.324 14.889 -14.876 1.00 10.44 H new ATOM 0 HB2 GLU A 44 -31.501 15.825 -13.047 1.00 60.33 H new ATOM 0 HB3 GLU A 44 -30.963 16.959 -14.270 1.00 60.33 H new ATOM 0 HG2 GLU A 44 -31.483 15.390 -16.051 1.00 4.10 H new ATOM 0 HG3 GLU A 44 -31.824 14.116 -14.897 1.00 4.10 H new ATOM 358 N LYS A 45 -28.738 17.028 -12.412 1.00 53.51 N ATOM 359 CA LYS A 45 -27.861 18.113 -11.988 1.00 10.03 C ATOM 360 C LYS A 45 -26.552 17.566 -11.427 1.00 12.33 C ATOM 361 O LYS A 45 -25.474 18.082 -11.724 1.00 62.03 O ATOM 362 CB LYS A 45 -28.558 18.978 -10.935 1.00 22.22 C ATOM 363 CG LYS A 45 -29.974 19.375 -11.314 1.00 21.10 C ATOM 364 CD LYS A 45 -30.256 20.828 -10.973 1.00 1.54 C ATOM 365 CE LYS A 45 -31.013 20.956 -9.659 1.00 63.14 C ATOM 366 NZ LYS A 45 -32.419 21.397 -9.870 1.00 52.23 N ATOM 0 H LYS A 45 -29.436 16.756 -11.720 1.00 53.51 H new ATOM 0 HA LYS A 45 -27.634 18.726 -12.860 1.00 10.03 H new ATOM 0 HB2 LYS A 45 -28.582 18.436 -9.990 1.00 22.22 H new ATOM 0 HB3 LYS A 45 -27.969 19.880 -10.770 1.00 22.22 H new ATOM 0 HG2 LYS A 45 -30.124 19.215 -12.382 1.00 21.10 H new ATOM 0 HG3 LYS A 45 -30.685 18.734 -10.793 1.00 21.10 H new ATOM 0 HD2 LYS A 45 -29.316 21.376 -10.908 1.00 1.54 H new ATOM 0 HD3 LYS A 45 -30.837 21.285 -11.775 1.00 1.54 H new ATOM 0 HE2 LYS A 45 -31.007 19.997 -9.141 1.00 63.14 H new ATOM 0 HE3 LYS A 45 -30.502 21.670 -9.013 1.00 63.14 H new ATOM 0 HZ1 LYS A 45 -32.901 21.472 -8.951 1.00 52.23 H new ATOM 0 HZ2 LYS A 45 -32.425 22.324 -10.341 1.00 52.23 H new ATOM 0 HZ3 LYS A 45 -32.915 20.703 -10.465 1.00 52.23 H new ATOM 380 N LEU A 46 -26.653 16.519 -10.615 1.00 52.43 N ATOM 381 CA LEU A 46 -25.477 15.901 -10.014 1.00 3.33 C ATOM 382 C LEU A 46 -24.441 15.552 -11.078 1.00 0.14 C ATOM 383 O LEU A 46 -23.260 15.869 -10.935 1.00 14.10 O ATOM 384 CB LEU A 46 -25.876 14.642 -9.242 1.00 10.52 C ATOM 385 CG LEU A 46 -24.976 13.422 -9.437 1.00 74.44 C ATOM 386 CD1 LEU A 46 -23.585 13.689 -8.884 1.00 54.41 C ATOM 387 CD2 LEU A 46 -25.589 12.196 -8.775 1.00 40.20 C ATOM 0 H LEU A 46 -27.537 16.081 -10.358 1.00 52.43 H new ATOM 0 HA LEU A 46 -25.034 16.618 -9.323 1.00 3.33 H new ATOM 0 HB2 LEU A 46 -25.901 14.884 -8.180 1.00 10.52 H new ATOM 0 HB3 LEU A 46 -26.891 14.369 -9.531 1.00 10.52 H new ATOM 0 HG LEU A 46 -24.887 13.228 -10.506 1.00 74.44 H new ATOM 0 HD11 LEU A 46 -22.959 12.809 -9.032 1.00 54.41 H new ATOM 0 HD12 LEU A 46 -23.144 14.539 -9.404 1.00 54.41 H new ATOM 0 HD13 LEU A 46 -23.653 13.910 -7.819 1.00 54.41 H new ATOM 0 HD21 LEU A 46 -24.935 11.337 -8.924 1.00 40.20 H new ATOM 0 HD22 LEU A 46 -25.709 12.380 -7.707 1.00 40.20 H new ATOM 0 HD23 LEU A 46 -26.563 11.992 -9.219 1.00 40.20 H new ATOM 399 N GLN A 47 -24.892 14.900 -12.144 1.00 33.41 N ATOM 400 CA GLN A 47 -24.004 14.509 -13.233 1.00 13.25 C ATOM 401 C GLN A 47 -23.405 15.736 -13.913 1.00 75.30 C ATOM 402 O GLN A 47 -22.195 15.813 -14.120 1.00 40.54 O ATOM 403 CB GLN A 47 -24.761 13.661 -14.257 1.00 4.43 C ATOM 404 CG GLN A 47 -23.877 13.116 -15.367 1.00 25.25 C ATOM 405 CD GLN A 47 -24.610 12.987 -16.687 1.00 40.30 C ATOM 406 OE1 GLN A 47 -24.861 11.881 -17.166 1.00 64.11 O ATOM 407 NE2 GLN A 47 -24.959 14.121 -17.284 1.00 1.25 N ATOM 0 H GLN A 47 -25.867 14.631 -12.277 1.00 33.41 H new ATOM 0 HA GLN A 47 -23.192 13.917 -12.812 1.00 13.25 H new ATOM 0 HB2 GLN A 47 -25.240 12.828 -13.743 1.00 4.43 H new ATOM 0 HB3 GLN A 47 -25.555 14.263 -14.699 1.00 4.43 H new ATOM 0 HG2 GLN A 47 -23.017 13.773 -15.496 1.00 25.25 H new ATOM 0 HG3 GLN A 47 -23.492 12.140 -15.073 1.00 25.25 H new ATOM 0 HE21 GLN A 47 -24.731 15.016 -16.852 1.00 1.25 H new ATOM 0 HE22 GLN A 47 -25.455 14.097 -18.175 1.00 1.25 H new ATOM 416 N ALA A 48 -24.262 16.692 -14.259 1.00 24.34 N ATOM 417 CA ALA A 48 -23.817 17.915 -14.914 1.00 42.22 C ATOM 418 C ALA A 48 -22.740 18.617 -14.094 1.00 1.21 C ATOM 419 O ALA A 48 -21.834 19.243 -14.646 1.00 25.32 O ATOM 420 CB ALA A 48 -24.996 18.847 -15.148 1.00 53.43 C ATOM 0 H ALA A 48 -25.268 16.642 -14.096 1.00 24.34 H new ATOM 0 HA ALA A 48 -23.384 17.645 -15.877 1.00 42.22 H new ATOM 0 HB1 ALA A 48 -24.649 19.757 -15.638 1.00 53.43 H new ATOM 0 HB2 ALA A 48 -25.731 18.351 -15.782 1.00 53.43 H new ATOM 0 HB3 ALA A 48 -25.454 19.102 -14.192 1.00 53.43 H new ATOM 426 N LEU A 49 -22.845 18.511 -12.774 1.00 21.31 N ATOM 427 CA LEU A 49 -21.880 19.136 -11.877 1.00 4.33 C ATOM 428 C LEU A 49 -20.543 18.402 -11.917 1.00 52.11 C ATOM 429 O LEU A 49 -19.488 19.020 -12.064 1.00 24.32 O ATOM 430 CB LEU A 49 -22.421 19.155 -10.446 1.00 51.02 C ATOM 431 CG LEU A 49 -22.630 20.537 -9.826 1.00 32.23 C ATOM 432 CD1 LEU A 49 -21.366 21.373 -9.946 1.00 43.03 C ATOM 433 CD2 LEU A 49 -23.805 21.245 -10.484 1.00 40.15 C ATOM 0 H LEU A 49 -23.589 17.998 -12.301 1.00 21.31 H new ATOM 0 HA LEU A 49 -21.721 20.161 -12.213 1.00 4.33 H new ATOM 0 HB2 LEU A 49 -23.373 18.625 -10.432 1.00 51.02 H new ATOM 0 HB3 LEU A 49 -21.734 18.594 -9.812 1.00 51.02 H new ATOM 0 HG LEU A 49 -22.856 20.408 -8.768 1.00 32.23 H new ATOM 0 HD11 LEU A 49 -21.534 22.353 -9.499 1.00 43.03 H new ATOM 0 HD12 LEU A 49 -20.548 20.873 -9.427 1.00 43.03 H new ATOM 0 HD13 LEU A 49 -21.108 21.493 -10.998 1.00 43.03 H new ATOM 0 HD21 LEU A 49 -23.939 22.227 -10.030 1.00 40.15 H new ATOM 0 HD22 LEU A 49 -23.609 21.362 -11.550 1.00 40.15 H new ATOM 0 HD23 LEU A 49 -24.710 20.654 -10.344 1.00 40.15 H new ATOM 445 N LEU A 50 -20.596 17.081 -11.788 1.00 41.03 N ATOM 446 CA LEU A 50 -19.389 16.261 -11.812 1.00 54.34 C ATOM 447 C LEU A 50 -18.579 16.522 -13.078 1.00 74.54 C ATOM 448 O LEU A 50 -17.356 16.384 -13.084 1.00 41.20 O ATOM 449 CB LEU A 50 -19.755 14.779 -11.723 1.00 23.43 C ATOM 450 CG LEU A 50 -20.319 14.306 -10.382 1.00 40.24 C ATOM 451 CD1 LEU A 50 -20.713 12.839 -10.456 1.00 40.23 C ATOM 452 CD2 LEU A 50 -19.308 14.533 -9.268 1.00 43.22 C ATOM 0 H LEU A 50 -21.461 16.555 -11.666 1.00 41.03 H new ATOM 0 HA LEU A 50 -18.778 16.530 -10.950 1.00 54.34 H new ATOM 0 HB2 LEU A 50 -20.487 14.559 -12.500 1.00 23.43 H new ATOM 0 HB3 LEU A 50 -18.865 14.191 -11.948 1.00 23.43 H new ATOM 0 HG LEU A 50 -21.212 14.890 -10.159 1.00 40.24 H new ATOM 0 HD11 LEU A 50 -21.112 12.520 -9.493 1.00 40.23 H new ATOM 0 HD12 LEU A 50 -21.473 12.705 -11.226 1.00 40.23 H new ATOM 0 HD13 LEU A 50 -19.837 12.239 -10.702 1.00 40.23 H new ATOM 0 HD21 LEU A 50 -19.726 14.191 -8.322 1.00 43.22 H new ATOM 0 HD22 LEU A 50 -18.397 13.976 -9.485 1.00 43.22 H new ATOM 0 HD23 LEU A 50 -19.076 15.596 -9.199 1.00 43.22 H new ATOM 464 N TYR A 51 -19.270 16.900 -14.149 1.00 25.35 N ATOM 465 CA TYR A 51 -18.615 17.179 -15.421 1.00 4.42 C ATOM 466 C TYR A 51 -17.857 18.502 -15.364 1.00 43.23 C ATOM 467 O TYR A 51 -16.715 18.596 -15.814 1.00 21.14 O ATOM 468 CB TYR A 51 -19.644 17.217 -16.551 1.00 74.22 C ATOM 469 CG TYR A 51 -19.034 17.109 -17.930 1.00 70.43 C ATOM 470 CD1 TYR A 51 -18.206 18.109 -18.425 1.00 62.40 C ATOM 471 CD2 TYR A 51 -19.286 16.007 -18.739 1.00 11.31 C ATOM 472 CE1 TYR A 51 -17.646 18.015 -19.685 1.00 33.43 C ATOM 473 CE2 TYR A 51 -18.730 15.904 -19.999 1.00 42.11 C ATOM 474 CZ TYR A 51 -17.911 16.910 -20.468 1.00 1.34 C ATOM 475 OH TYR A 51 -17.356 16.812 -21.723 1.00 30.10 O ATOM 0 H TYR A 51 -20.283 17.020 -14.161 1.00 25.35 H new ATOM 0 HA TYR A 51 -17.901 16.379 -15.616 1.00 4.42 H new ATOM 0 HB2 TYR A 51 -20.354 16.402 -16.412 1.00 74.22 H new ATOM 0 HB3 TYR A 51 -20.209 18.147 -16.485 1.00 74.22 H new ATOM 0 HD1 TYR A 51 -17.996 18.975 -17.814 1.00 62.40 H new ATOM 0 HD2 TYR A 51 -19.928 15.218 -18.376 1.00 11.31 H new ATOM 0 HE1 TYR A 51 -17.005 18.802 -20.055 1.00 33.43 H new ATOM 0 HE2 TYR A 51 -18.935 15.040 -20.614 1.00 42.11 H new ATOM 0 HH TYR A 51 -17.641 15.973 -22.142 1.00 30.10 H new ATOM 485 N ALA A 52 -18.501 19.523 -14.808 1.00 33.42 N ATOM 486 CA ALA A 52 -17.889 20.840 -14.689 1.00 63.21 C ATOM 487 C ALA A 52 -16.509 20.748 -14.045 1.00 75.11 C ATOM 488 O ALA A 52 -15.519 21.221 -14.604 1.00 51.10 O ATOM 489 CB ALA A 52 -18.787 21.769 -13.887 1.00 11.34 C ATOM 0 H ALA A 52 -19.447 19.463 -14.433 1.00 33.42 H new ATOM 0 HA ALA A 52 -17.766 21.248 -15.692 1.00 63.21 H new ATOM 0 HB1 ALA A 52 -18.317 22.749 -13.806 1.00 11.34 H new ATOM 0 HB2 ALA A 52 -19.749 21.868 -14.389 1.00 11.34 H new ATOM 0 HB3 ALA A 52 -18.939 21.356 -12.890 1.00 11.34 H new ATOM 495 N LEU A 53 -16.452 20.137 -12.867 1.00 5.12 N ATOM 496 CA LEU A 53 -15.193 19.984 -12.146 1.00 23.53 C ATOM 497 C LEU A 53 -14.220 19.109 -12.929 1.00 65.42 C ATOM 498 O LEU A 53 -13.017 19.369 -12.954 1.00 51.34 O ATOM 499 CB LEU A 53 -15.444 19.376 -10.765 1.00 32.14 C ATOM 500 CG LEU A 53 -16.566 20.014 -9.945 1.00 1.24 C ATOM 501 CD1 LEU A 53 -16.891 19.160 -8.729 1.00 74.13 C ATOM 502 CD2 LEU A 53 -16.180 21.424 -9.520 1.00 75.22 C ATOM 0 H LEU A 53 -17.262 19.740 -12.391 1.00 5.12 H new ATOM 0 HA LEU A 53 -14.749 20.972 -12.026 1.00 23.53 H new ATOM 0 HB2 LEU A 53 -15.671 18.317 -10.892 1.00 32.14 H new ATOM 0 HB3 LEU A 53 -14.520 19.438 -10.190 1.00 32.14 H new ATOM 0 HG LEU A 53 -17.457 20.074 -10.570 1.00 1.24 H new ATOM 0 HD11 LEU A 53 -17.692 19.630 -8.158 1.00 74.13 H new ATOM 0 HD12 LEU A 53 -17.210 18.170 -9.055 1.00 74.13 H new ATOM 0 HD13 LEU A 53 -16.004 19.067 -8.102 1.00 74.13 H new ATOM 0 HD21 LEU A 53 -16.990 21.863 -8.937 1.00 75.22 H new ATOM 0 HD22 LEU A 53 -15.275 21.386 -8.913 1.00 75.22 H new ATOM 0 HD23 LEU A 53 -15.998 22.034 -10.405 1.00 75.22 H new ATOM 514 N ALA A 54 -14.748 18.071 -13.569 1.00 74.14 N ATOM 515 CA ALA A 54 -13.927 17.160 -14.357 1.00 53.24 C ATOM 516 C ALA A 54 -13.221 17.898 -15.490 1.00 33.11 C ATOM 517 O ALA A 54 -12.000 17.825 -15.625 1.00 20.23 O ATOM 518 CB ALA A 54 -14.779 16.028 -14.912 1.00 40.15 C ATOM 0 H ALA A 54 -15.741 17.840 -13.557 1.00 74.14 H new ATOM 0 HA ALA A 54 -13.164 16.739 -13.702 1.00 53.24 H new ATOM 0 HB1 ALA A 54 -14.153 15.355 -15.498 1.00 40.15 H new ATOM 0 HB2 ALA A 54 -15.232 15.476 -14.088 1.00 40.15 H new ATOM 0 HB3 ALA A 54 -15.563 16.440 -15.547 1.00 40.15 H new ATOM 524 N SER A 55 -13.998 18.608 -16.302 1.00 61.22 N ATOM 525 CA SER A 55 -13.447 19.355 -17.426 1.00 41.44 C ATOM 526 C SER A 55 -12.416 20.374 -16.949 1.00 30.43 C ATOM 527 O SER A 55 -11.471 20.700 -17.667 1.00 1.15 O ATOM 528 CB SER A 55 -14.566 20.066 -18.191 1.00 65.32 C ATOM 529 OG SER A 55 -14.066 21.184 -18.903 1.00 41.42 O ATOM 0 H SER A 55 -15.010 18.681 -16.202 1.00 61.22 H new ATOM 0 HA SER A 55 -12.953 18.648 -18.092 1.00 41.44 H new ATOM 0 HB2 SER A 55 -15.036 19.369 -18.885 1.00 65.32 H new ATOM 0 HB3 SER A 55 -15.338 20.391 -17.494 1.00 65.32 H new ATOM 0 HG SER A 55 -14.800 21.620 -19.384 1.00 41.42 H new ATOM 535 N SER A 56 -12.606 20.872 -15.731 1.00 61.21 N ATOM 536 CA SER A 56 -11.696 21.856 -15.157 1.00 64.04 C ATOM 537 C SER A 56 -10.278 21.299 -15.071 1.00 1.12 C ATOM 538 O SER A 56 -9.308 22.053 -14.990 1.00 72.41 O ATOM 539 CB SER A 56 -12.176 22.277 -13.767 1.00 71.12 C ATOM 540 OG SER A 56 -12.065 23.679 -13.592 1.00 31.30 O ATOM 0 H SER A 56 -13.382 20.610 -15.123 1.00 61.21 H new ATOM 0 HA SER A 56 -11.686 22.729 -15.809 1.00 64.04 H new ATOM 0 HB2 SER A 56 -13.213 21.971 -13.629 1.00 71.12 H new ATOM 0 HB3 SER A 56 -11.588 21.765 -13.005 1.00 71.12 H new ATOM 0 HG SER A 56 -12.380 23.923 -12.696 1.00 31.30 H new ATOM 546 N GLN A 57 -10.167 19.975 -15.088 1.00 60.23 N ATOM 547 CA GLN A 57 -8.868 19.316 -15.011 1.00 53.30 C ATOM 548 C GLN A 57 -8.559 18.569 -16.304 1.00 33.31 C ATOM 549 O GLN A 57 -7.744 19.014 -17.111 1.00 14.12 O ATOM 550 CB GLN A 57 -8.833 18.348 -13.827 1.00 54.23 C ATOM 551 CG GLN A 57 -8.950 19.035 -12.476 1.00 74.21 C ATOM 552 CD GLN A 57 -7.607 19.468 -11.923 1.00 61.31 C ATOM 553 OE1 GLN A 57 -6.651 18.692 -11.905 1.00 61.20 O ATOM 554 NE2 GLN A 57 -7.527 20.713 -11.468 1.00 60.32 N ATOM 0 H GLN A 57 -10.960 19.337 -15.154 1.00 60.23 H new ATOM 0 HA GLN A 57 -8.107 20.083 -14.866 1.00 53.30 H new ATOM 0 HB2 GLN A 57 -9.646 17.630 -13.932 1.00 54.23 H new ATOM 0 HB3 GLN A 57 -7.902 17.782 -13.858 1.00 54.23 H new ATOM 0 HG2 GLN A 57 -9.598 19.907 -12.571 1.00 74.21 H new ATOM 0 HG3 GLN A 57 -9.429 18.358 -11.769 1.00 74.21 H new ATOM 0 HE21 GLN A 57 -8.344 21.322 -11.502 1.00 60.32 H new ATOM 0 HE22 GLN A 57 -6.648 21.060 -11.084 1.00 60.32 H new ATOM 563 N GLY A 58 -9.216 17.428 -16.494 1.00 11.30 N ATOM 564 CA GLY A 58 -8.997 16.637 -17.690 1.00 73.35 C ATOM 565 C GLY A 58 -10.263 16.455 -18.505 1.00 44.31 C ATOM 566 O GLY A 58 -11.351 16.823 -18.063 1.00 74.24 O ATOM 0 H GLY A 58 -9.896 17.038 -15.841 1.00 11.30 H new ATOM 0 HA2 GLY A 58 -8.238 17.119 -18.306 1.00 73.35 H new ATOM 0 HA3 GLY A 58 -8.606 15.659 -17.409 1.00 73.35 H new ATOM 570 N ASP A 59 -10.120 15.889 -19.698 1.00 61.22 N ATOM 571 CA ASP A 59 -11.261 15.660 -20.577 1.00 62.12 C ATOM 572 C ASP A 59 -12.088 14.472 -20.096 1.00 64.52 C ATOM 573 O ASP A 59 -11.548 13.506 -19.556 1.00 21.33 O ATOM 574 CB ASP A 59 -10.787 15.420 -22.011 1.00 63.04 C ATOM 575 CG ASP A 59 -10.833 16.679 -22.855 1.00 5.14 C ATOM 576 OD1 ASP A 59 -11.926 17.021 -23.350 1.00 14.52 O ATOM 577 OD2 ASP A 59 -9.774 17.322 -23.020 1.00 73.31 O ATOM 0 H ASP A 59 -9.226 15.580 -20.079 1.00 61.22 H new ATOM 0 HA ASP A 59 -11.890 16.550 -20.555 1.00 62.12 H new ATOM 0 HB2 ASP A 59 -9.767 15.035 -21.994 1.00 63.04 H new ATOM 0 HB3 ASP A 59 -11.410 14.654 -22.473 1.00 63.04 H new ATOM 582 N ILE A 60 -13.399 14.550 -20.295 1.00 41.34 N ATOM 583 CA ILE A 60 -14.300 13.481 -19.882 1.00 5.40 C ATOM 584 C ILE A 60 -14.838 12.719 -21.088 1.00 25.42 C ATOM 585 O ILE A 60 -15.261 13.318 -22.077 1.00 32.00 O ATOM 586 CB ILE A 60 -15.484 14.028 -19.064 1.00 55.43 C ATOM 587 CG1 ILE A 60 -14.977 14.834 -17.867 1.00 12.33 C ATOM 588 CG2 ILE A 60 -16.380 12.889 -18.602 1.00 22.33 C ATOM 589 CD1 ILE A 60 -14.920 16.324 -18.121 1.00 52.34 C ATOM 0 H ILE A 60 -13.861 15.343 -20.740 1.00 41.34 H new ATOM 0 HA ILE A 60 -13.720 12.803 -19.257 1.00 5.40 H new ATOM 0 HB ILE A 60 -16.071 14.690 -19.701 1.00 55.43 H new ATOM 0 HG12 ILE A 60 -15.625 14.644 -17.011 1.00 12.33 H new ATOM 0 HG13 ILE A 60 -13.981 14.481 -17.598 1.00 12.33 H new ATOM 0 HG21 ILE A 60 -17.212 13.292 -18.025 1.00 22.33 H new ATOM 0 HG22 ILE A 60 -16.765 12.354 -19.470 1.00 22.33 H new ATOM 0 HG23 ILE A 60 -15.805 12.203 -17.979 1.00 22.33 H new ATOM 0 HD11 ILE A 60 -14.552 16.831 -17.229 1.00 52.34 H new ATOM 0 HD12 ILE A 60 -14.249 16.525 -18.956 1.00 52.34 H new ATOM 0 HD13 ILE A 60 -15.918 16.691 -18.361 1.00 52.34 H new ATOM 601 N LEU A 61 -14.819 11.393 -20.998 1.00 55.45 N ATOM 602 CA LEU A 61 -15.308 10.547 -22.082 1.00 25.23 C ATOM 603 C LEU A 61 -16.722 10.055 -21.793 1.00 72.31 C ATOM 604 O LEU A 61 -17.485 9.755 -22.712 1.00 32.14 O ATOM 605 CB LEU A 61 -14.372 9.354 -22.284 1.00 63.13 C ATOM 606 CG LEU A 61 -12.878 9.638 -22.124 1.00 62.11 C ATOM 607 CD1 LEU A 61 -12.059 8.407 -22.482 1.00 11.15 C ATOM 608 CD2 LEU A 61 -12.465 10.824 -22.984 1.00 71.51 C ATOM 0 H LEU A 61 -14.471 10.881 -20.187 1.00 55.45 H new ATOM 0 HA LEU A 61 -15.330 11.143 -22.994 1.00 25.23 H new ATOM 0 HB2 LEU A 61 -14.651 8.575 -21.575 1.00 63.13 H new ATOM 0 HB3 LEU A 61 -14.540 8.951 -23.283 1.00 63.13 H new ATOM 0 HG LEU A 61 -12.685 9.887 -21.080 1.00 62.11 H new ATOM 0 HD11 LEU A 61 -10.998 8.628 -22.362 1.00 11.15 H new ATOM 0 HD12 LEU A 61 -12.334 7.583 -21.824 1.00 11.15 H new ATOM 0 HD13 LEU A 61 -12.257 8.127 -23.517 1.00 11.15 H new ATOM 0 HD21 LEU A 61 -11.399 11.011 -22.857 1.00 71.51 H new ATOM 0 HD22 LEU A 61 -12.673 10.604 -24.031 1.00 71.51 H new ATOM 0 HD23 LEU A 61 -13.027 11.707 -22.680 1.00 71.51 H new ATOM 620 N ASP A 62 -17.066 9.976 -20.512 1.00 42.24 N ATOM 621 CA ASP A 62 -18.390 9.524 -20.102 1.00 72.14 C ATOM 622 C ASP A 62 -18.517 9.522 -18.582 1.00 72.12 C ATOM 623 O ASP A 62 -17.712 8.906 -17.883 1.00 73.52 O ATOM 624 CB ASP A 62 -18.667 8.123 -20.652 1.00 2.54 C ATOM 625 CG ASP A 62 -19.836 7.451 -19.960 1.00 34.01 C ATOM 626 OD1 ASP A 62 -20.807 8.157 -19.616 1.00 75.34 O ATOM 627 OD2 ASP A 62 -19.780 6.219 -19.761 1.00 52.14 O ATOM 0 H ASP A 62 -16.446 10.219 -19.740 1.00 42.24 H new ATOM 0 HA ASP A 62 -19.126 10.217 -20.509 1.00 72.14 H new ATOM 0 HB2 ASP A 62 -18.870 8.189 -21.721 1.00 2.54 H new ATOM 0 HB3 ASP A 62 -17.776 7.507 -20.534 1.00 2.54 H new ATOM 632 N ILE A 63 -19.532 10.216 -18.077 1.00 62.35 N ATOM 633 CA ILE A 63 -19.764 10.293 -16.641 1.00 5.55 C ATOM 634 C ILE A 63 -20.945 9.422 -16.226 1.00 45.32 C ATOM 635 O ILE A 63 -22.093 9.714 -16.562 1.00 23.43 O ATOM 636 CB ILE A 63 -20.026 11.743 -16.190 1.00 72.33 C ATOM 637 CG1 ILE A 63 -18.875 12.652 -16.626 1.00 72.30 C ATOM 638 CG2 ILE A 63 -20.214 11.803 -14.682 1.00 30.12 C ATOM 639 CD1 ILE A 63 -19.046 14.092 -16.195 1.00 21.40 C ATOM 0 H ILE A 63 -20.206 10.733 -18.642 1.00 62.35 H new ATOM 0 HA ILE A 63 -18.859 9.928 -16.156 1.00 5.55 H new ATOM 0 HB ILE A 63 -20.942 12.096 -16.665 1.00 72.33 H new ATOM 0 HG12 ILE A 63 -17.942 12.266 -16.215 1.00 72.30 H new ATOM 0 HG13 ILE A 63 -18.784 12.614 -17.712 1.00 72.30 H new ATOM 0 HG21 ILE A 63 -20.398 12.834 -14.379 1.00 30.12 H new ATOM 0 HG22 ILE A 63 -21.064 11.183 -14.396 1.00 30.12 H new ATOM 0 HG23 ILE A 63 -19.315 11.435 -14.188 1.00 30.12 H new ATOM 0 HD11 ILE A 63 -18.194 14.678 -16.538 1.00 21.40 H new ATOM 0 HD12 ILE A 63 -19.961 14.495 -16.628 1.00 21.40 H new ATOM 0 HD13 ILE A 63 -19.106 14.142 -15.108 1.00 21.40 H new ATOM 651 N VAL A 64 -20.655 8.352 -15.493 1.00 0.12 N ATOM 652 CA VAL A 64 -21.693 7.439 -15.029 1.00 50.33 C ATOM 653 C VAL A 64 -22.110 7.762 -13.599 1.00 22.23 C ATOM 654 O VAL A 64 -21.293 8.192 -12.785 1.00 3.14 O ATOM 655 CB VAL A 64 -21.223 5.974 -15.098 1.00 33.05 C ATOM 656 CG1 VAL A 64 -22.337 5.035 -14.661 1.00 14.04 C ATOM 657 CG2 VAL A 64 -20.747 5.633 -16.501 1.00 62.52 C ATOM 0 H VAL A 64 -19.710 8.096 -15.208 1.00 0.12 H new ATOM 0 HA VAL A 64 -22.549 7.569 -15.691 1.00 50.33 H new ATOM 0 HB VAL A 64 -20.384 5.847 -14.414 1.00 33.05 H new ATOM 0 HG11 VAL A 64 -21.987 4.004 -14.716 1.00 14.04 H new ATOM 0 HG12 VAL A 64 -22.626 5.266 -13.636 1.00 14.04 H new ATOM 0 HG13 VAL A 64 -23.198 5.161 -15.318 1.00 14.04 H new ATOM 0 HG21 VAL A 64 -20.419 4.594 -16.531 1.00 62.52 H new ATOM 0 HG22 VAL A 64 -21.565 5.776 -17.207 1.00 62.52 H new ATOM 0 HG23 VAL A 64 -19.916 6.284 -16.772 1.00 62.52 H new ATOM 667 N VAL A 65 -23.387 7.551 -13.298 1.00 73.44 N ATOM 668 CA VAL A 65 -23.913 7.817 -11.965 1.00 14.20 C ATOM 669 C VAL A 65 -25.024 6.836 -11.606 1.00 50.41 C ATOM 670 O VAL A 65 -25.941 6.606 -12.394 1.00 72.24 O ATOM 671 CB VAL A 65 -24.456 9.254 -11.853 1.00 14.12 C ATOM 672 CG1 VAL A 65 -24.913 9.543 -10.431 1.00 3.21 C ATOM 673 CG2 VAL A 65 -23.403 10.258 -12.298 1.00 33.50 C ATOM 0 H VAL A 65 -24.077 7.196 -13.960 1.00 73.44 H new ATOM 0 HA VAL A 65 -23.085 7.694 -11.267 1.00 14.20 H new ATOM 0 HB VAL A 65 -25.318 9.350 -12.513 1.00 14.12 H new ATOM 0 HG11 VAL A 65 -25.293 10.563 -10.371 1.00 3.21 H new ATOM 0 HG12 VAL A 65 -25.702 8.844 -10.153 1.00 3.21 H new ATOM 0 HG13 VAL A 65 -24.071 9.429 -9.748 1.00 3.21 H new ATOM 0 HG21 VAL A 65 -23.804 11.268 -12.212 1.00 33.50 H new ATOM 0 HG22 VAL A 65 -22.520 10.163 -11.666 1.00 33.50 H new ATOM 0 HG23 VAL A 65 -23.130 10.063 -13.335 1.00 33.50 H new ATOM 683 N ASP A 66 -24.935 6.262 -10.412 1.00 12.04 N ATOM 684 CA ASP A 66 -25.934 5.306 -9.947 1.00 2.44 C ATOM 685 C ASP A 66 -27.308 5.961 -9.848 1.00 0.34 C ATOM 686 O ASP A 66 -27.536 7.038 -10.400 1.00 44.24 O ATOM 687 CB ASP A 66 -25.529 4.734 -8.587 1.00 62.14 C ATOM 688 CG ASP A 66 -24.112 4.193 -8.586 1.00 15.13 C ATOM 689 OD1 ASP A 66 -23.174 4.989 -8.794 1.00 4.52 O ATOM 690 OD2 ASP A 66 -23.943 2.973 -8.377 1.00 41.31 O ATOM 0 H ASP A 66 -24.182 6.442 -9.748 1.00 12.04 H new ATOM 0 HA ASP A 66 -25.990 4.494 -10.672 1.00 2.44 H new ATOM 0 HB2 ASP A 66 -25.619 5.511 -7.828 1.00 62.14 H new ATOM 0 HB3 ASP A 66 -26.219 3.937 -8.311 1.00 62.14 H new ATOM 695 N LEU A 67 -28.221 5.304 -9.141 1.00 51.30 N ATOM 696 CA LEU A 67 -29.574 5.822 -8.970 1.00 73.11 C ATOM 697 C LEU A 67 -29.675 6.676 -7.711 1.00 14.34 C ATOM 698 O LEU A 67 -30.767 6.903 -7.188 1.00 63.20 O ATOM 699 CB LEU A 67 -30.577 4.669 -8.900 1.00 54.10 C ATOM 700 CG LEU A 67 -30.192 3.498 -7.996 1.00 64.20 C ATOM 701 CD1 LEU A 67 -29.268 2.538 -8.731 1.00 14.14 C ATOM 702 CD2 LEU A 67 -29.533 4.003 -6.720 1.00 72.24 C ATOM 0 H LEU A 67 -28.049 4.412 -8.677 1.00 51.30 H new ATOM 0 HA LEU A 67 -29.809 6.448 -9.831 1.00 73.11 H new ATOM 0 HB2 LEU A 67 -31.533 5.066 -8.559 1.00 54.10 H new ATOM 0 HB3 LEU A 67 -30.732 4.287 -9.909 1.00 54.10 H new ATOM 0 HG LEU A 67 -31.100 2.960 -7.724 1.00 64.20 H new ATOM 0 HD11 LEU A 67 -29.004 1.711 -8.072 1.00 14.14 H new ATOM 0 HD12 LEU A 67 -29.774 2.151 -9.615 1.00 14.14 H new ATOM 0 HD13 LEU A 67 -28.362 3.064 -9.033 1.00 14.14 H new ATOM 0 HD21 LEU A 67 -29.266 3.156 -6.089 1.00 72.24 H new ATOM 0 HD22 LEU A 67 -28.634 4.565 -6.973 1.00 72.24 H new ATOM 0 HD23 LEU A 67 -30.227 4.650 -6.184 1.00 72.24 H new ATOM 714 N SER A 68 -28.530 7.150 -7.229 1.00 74.33 N ATOM 715 CA SER A 68 -28.490 7.978 -6.030 1.00 44.20 C ATOM 716 C SER A 68 -29.253 7.317 -4.886 1.00 64.44 C ATOM 717 O SER A 68 -30.289 7.815 -4.447 1.00 1.04 O ATOM 718 CB SER A 68 -29.079 9.360 -6.319 1.00 42.21 C ATOM 719 OG SER A 68 -28.600 9.871 -7.551 1.00 51.21 O ATOM 0 H SER A 68 -27.618 6.974 -7.651 1.00 74.33 H new ATOM 0 HA SER A 68 -27.448 8.090 -5.731 1.00 44.20 H new ATOM 0 HB2 SER A 68 -30.167 9.297 -6.346 1.00 42.21 H new ATOM 0 HB3 SER A 68 -28.820 10.045 -5.512 1.00 42.21 H new ATOM 0 HG SER A 68 -28.992 10.754 -7.714 1.00 51.21 H new ATOM 725 N ASP A 69 -28.732 6.191 -4.410 1.00 13.11 N ATOM 726 CA ASP A 69 -29.363 5.460 -3.317 1.00 4.24 C ATOM 727 C ASP A 69 -29.105 6.151 -1.981 1.00 64.12 C ATOM 728 O ASP A 69 -28.047 6.745 -1.772 1.00 64.05 O ATOM 729 CB ASP A 69 -28.843 4.022 -3.270 1.00 15.30 C ATOM 730 CG ASP A 69 -29.938 3.003 -3.520 1.00 2.25 C ATOM 731 OD1 ASP A 69 -30.895 3.327 -4.254 1.00 3.40 O ATOM 732 OD2 ASP A 69 -29.837 1.881 -2.981 1.00 50.21 O ATOM 0 H ASP A 69 -27.875 5.765 -4.764 1.00 13.11 H new ATOM 0 HA ASP A 69 -30.438 5.444 -3.496 1.00 4.24 H new ATOM 0 HB2 ASP A 69 -28.058 3.898 -4.016 1.00 15.30 H new ATOM 0 HB3 ASP A 69 -28.391 3.834 -2.296 1.00 15.30 H new ATOM 737 N ASP A 70 -30.078 6.070 -1.081 1.00 72.51 N ATOM 738 CA ASP A 70 -29.957 6.687 0.235 1.00 62.25 C ATOM 739 C ASP A 70 -29.004 5.892 1.122 1.00 60.21 C ATOM 740 O ASP A 70 -28.667 6.318 2.226 1.00 74.23 O ATOM 741 CB ASP A 70 -31.329 6.789 0.902 1.00 51.41 C ATOM 742 CG ASP A 70 -31.700 8.218 1.247 1.00 42.43 C ATOM 743 OD1 ASP A 70 -30.815 8.963 1.718 1.00 34.03 O ATOM 744 OD2 ASP A 70 -32.875 8.592 1.046 1.00 64.12 O ATOM 0 H ASP A 70 -30.960 5.583 -1.238 1.00 72.51 H new ATOM 0 HA ASP A 70 -29.551 7.690 0.103 1.00 62.25 H new ATOM 0 HB2 ASP A 70 -32.085 6.371 0.237 1.00 51.41 H new ATOM 0 HB3 ASP A 70 -31.334 6.186 1.810 1.00 51.41 H new ATOM 749 N ASN A 71 -28.574 4.734 0.631 1.00 30.33 N ATOM 750 CA ASN A 71 -27.661 3.878 1.381 1.00 52.03 C ATOM 751 C ASN A 71 -26.362 3.662 0.610 1.00 12.03 C ATOM 752 O ASN A 71 -25.397 3.114 1.142 1.00 21.41 O ATOM 753 CB ASN A 71 -28.321 2.530 1.678 1.00 31.00 C ATOM 754 CG ASN A 71 -29.744 2.681 2.181 1.00 41.13 C ATOM 755 OD1 ASN A 71 -30.695 2.667 1.399 1.00 1.31 O ATOM 756 ND2 ASN A 71 -29.896 2.827 3.492 1.00 65.21 N ATOM 0 H ASN A 71 -28.843 4.367 -0.282 1.00 30.33 H new ATOM 0 HA ASN A 71 -27.426 4.375 2.322 1.00 52.03 H new ATOM 0 HB2 ASN A 71 -28.321 1.921 0.774 1.00 31.00 H new ATOM 0 HB3 ASN A 71 -27.730 1.995 2.422 1.00 31.00 H new ATOM 0 HD21 ASN A 71 -30.830 2.933 3.888 1.00 65.21 H new ATOM 0 HD22 ASN A 71 -29.079 2.833 4.103 1.00 65.21 H new ATOM 763 N SER A 72 -26.346 4.098 -0.645 1.00 63.33 N ATOM 764 CA SER A 72 -25.167 3.949 -1.491 1.00 3.45 C ATOM 765 C SER A 72 -24.646 5.311 -1.940 1.00 5.24 C ATOM 766 O SER A 72 -23.610 5.779 -1.468 1.00 31.45 O ATOM 767 CB SER A 72 -25.494 3.088 -2.712 1.00 23.23 C ATOM 768 OG SER A 72 -24.341 2.873 -3.508 1.00 11.42 O ATOM 0 H SER A 72 -27.136 4.557 -1.099 1.00 63.33 H new ATOM 0 HA SER A 72 -24.390 3.456 -0.906 1.00 3.45 H new ATOM 0 HB2 SER A 72 -25.899 2.130 -2.387 1.00 23.23 H new ATOM 0 HB3 SER A 72 -26.266 3.575 -3.308 1.00 23.23 H new ATOM 0 HG SER A 72 -24.248 1.916 -3.698 1.00 11.42 H new ATOM 774 N GLY A 73 -25.372 5.943 -2.856 1.00 53.23 N ATOM 775 CA GLY A 73 -24.969 7.245 -3.355 1.00 25.11 C ATOM 776 C GLY A 73 -23.531 7.261 -3.836 1.00 53.13 C ATOM 777 O GLY A 73 -22.614 7.549 -3.067 1.00 62.33 O ATOM 0 H GLY A 73 -26.233 5.577 -3.262 1.00 53.23 H new ATOM 0 HA2 GLY A 73 -25.626 7.536 -4.174 1.00 25.11 H new ATOM 0 HA3 GLY A 73 -25.094 7.988 -2.567 1.00 25.11 H new ATOM 781 N LYS A 74 -23.333 6.950 -5.113 1.00 30.23 N ATOM 782 CA LYS A 74 -21.997 6.929 -5.697 1.00 73.11 C ATOM 783 C LYS A 74 -22.048 7.269 -7.183 1.00 52.12 C ATOM 784 O LYS A 74 -23.120 7.509 -7.738 1.00 51.11 O ATOM 785 CB LYS A 74 -21.353 5.555 -5.499 1.00 73.25 C ATOM 786 CG LYS A 74 -22.105 4.426 -6.184 1.00 13.42 C ATOM 787 CD LYS A 74 -22.118 3.168 -5.333 1.00 23.23 C ATOM 788 CE LYS A 74 -21.043 2.186 -5.774 1.00 30.01 C ATOM 789 NZ LYS A 74 -20.034 1.951 -4.704 1.00 61.44 N ATOM 0 H LYS A 74 -24.081 6.709 -5.763 1.00 30.23 H new ATOM 0 HA LYS A 74 -21.394 7.682 -5.190 1.00 73.11 H new ATOM 0 HB2 LYS A 74 -20.332 5.583 -5.879 1.00 73.25 H new ATOM 0 HB3 LYS A 74 -21.290 5.343 -4.432 1.00 73.25 H new ATOM 0 HG2 LYS A 74 -23.129 4.740 -6.386 1.00 13.42 H new ATOM 0 HG3 LYS A 74 -21.641 4.210 -7.147 1.00 13.42 H new ATOM 0 HD2 LYS A 74 -21.963 3.433 -4.287 1.00 23.23 H new ATOM 0 HD3 LYS A 74 -23.096 2.692 -5.400 1.00 23.23 H new ATOM 0 HE2 LYS A 74 -21.507 1.239 -6.050 1.00 30.01 H new ATOM 0 HE3 LYS A 74 -20.545 2.568 -6.665 1.00 30.01 H new ATOM 0 HZ1 LYS A 74 -19.319 1.276 -5.043 1.00 61.44 H new ATOM 0 HZ2 LYS A 74 -19.573 2.850 -4.458 1.00 61.44 H new ATOM 0 HZ3 LYS A 74 -20.505 1.562 -3.862 1.00 61.44 H new ATOM 803 N ALA A 75 -20.883 7.287 -7.822 1.00 21.32 N ATOM 804 CA ALA A 75 -20.796 7.594 -9.244 1.00 63.10 C ATOM 805 C ALA A 75 -19.403 7.292 -9.787 1.00 31.44 C ATOM 806 O ALA A 75 -18.502 6.915 -9.036 1.00 51.54 O ATOM 807 CB ALA A 75 -21.156 9.051 -9.492 1.00 51.12 C ATOM 0 H ALA A 75 -19.986 7.092 -7.377 1.00 21.32 H new ATOM 0 HA ALA A 75 -21.508 6.960 -9.771 1.00 63.10 H new ATOM 0 HB1 ALA A 75 -21.087 9.266 -10.558 1.00 51.12 H new ATOM 0 HB2 ALA A 75 -22.174 9.238 -9.149 1.00 51.12 H new ATOM 0 HB3 ALA A 75 -20.466 9.694 -8.946 1.00 51.12 H new ATOM 813 N TYR A 76 -19.234 7.457 -11.094 1.00 2.54 N ATOM 814 CA TYR A 76 -17.951 7.199 -11.737 1.00 51.10 C ATOM 815 C TYR A 76 -17.707 8.181 -12.879 1.00 71.43 C ATOM 816 O TYR A 76 -18.546 8.339 -13.766 1.00 75.23 O ATOM 817 CB TYR A 76 -17.901 5.764 -12.264 1.00 22.25 C ATOM 818 CG TYR A 76 -18.625 4.770 -11.383 1.00 43.22 C ATOM 819 CD1 TYR A 76 -19.990 4.554 -11.522 1.00 51.53 C ATOM 820 CD2 TYR A 76 -17.943 4.046 -10.413 1.00 3.31 C ATOM 821 CE1 TYR A 76 -20.656 3.648 -10.720 1.00 5.34 C ATOM 822 CE2 TYR A 76 -18.600 3.137 -9.607 1.00 24.13 C ATOM 823 CZ TYR A 76 -19.956 2.942 -9.764 1.00 20.25 C ATOM 824 OH TYR A 76 -20.615 2.037 -8.963 1.00 1.10 O ATOM 0 H TYR A 76 -19.969 7.768 -11.729 1.00 2.54 H new ATOM 0 HA TYR A 76 -17.166 7.333 -10.993 1.00 51.10 H new ATOM 0 HB2 TYR A 76 -18.337 5.737 -13.263 1.00 22.25 H new ATOM 0 HB3 TYR A 76 -16.859 5.458 -12.363 1.00 22.25 H new ATOM 0 HD1 TYR A 76 -20.540 5.104 -12.271 1.00 51.53 H new ATOM 0 HD2 TYR A 76 -16.881 4.197 -10.287 1.00 3.31 H new ATOM 0 HE1 TYR A 76 -21.718 3.493 -10.841 1.00 5.34 H new ATOM 0 HE2 TYR A 76 -18.055 2.582 -8.858 1.00 24.13 H new ATOM 0 HH TYR A 76 -19.962 1.458 -8.518 1.00 1.10 H new ATOM 834 N ILE A 77 -16.552 8.836 -12.850 1.00 41.53 N ATOM 835 CA ILE A 77 -16.196 9.801 -13.883 1.00 44.13 C ATOM 836 C ILE A 77 -15.077 9.267 -14.771 1.00 44.52 C ATOM 837 O ILE A 77 -13.941 9.100 -14.325 1.00 55.30 O ATOM 838 CB ILE A 77 -15.754 11.144 -13.272 1.00 32.24 C ATOM 839 CG1 ILE A 77 -16.753 11.596 -12.204 1.00 60.31 C ATOM 840 CG2 ILE A 77 -15.617 12.201 -14.357 1.00 63.32 C ATOM 841 CD1 ILE A 77 -16.391 12.915 -11.558 1.00 31.42 C ATOM 0 H ILE A 77 -15.847 8.716 -12.123 1.00 41.53 H new ATOM 0 HA ILE A 77 -17.090 9.962 -14.485 1.00 44.13 H new ATOM 0 HB ILE A 77 -14.781 11.008 -12.800 1.00 32.24 H new ATOM 0 HG12 ILE A 77 -17.742 11.681 -12.655 1.00 60.31 H new ATOM 0 HG13 ILE A 77 -16.820 10.829 -11.432 1.00 60.31 H new ATOM 0 HG21 ILE A 77 -15.304 13.144 -13.909 1.00 63.32 H new ATOM 0 HG22 ILE A 77 -14.872 11.880 -15.085 1.00 63.32 H new ATOM 0 HG23 ILE A 77 -16.577 12.337 -14.856 1.00 63.32 H new ATOM 0 HD11 ILE A 77 -17.142 13.173 -10.812 1.00 31.42 H new ATOM 0 HD12 ILE A 77 -15.417 12.829 -11.077 1.00 31.42 H new ATOM 0 HD13 ILE A 77 -16.353 13.694 -12.319 1.00 31.42 H new ATOM 853 N VAL A 78 -15.404 9.003 -16.032 1.00 51.22 N ATOM 854 CA VAL A 78 -14.426 8.491 -16.985 1.00 13.32 C ATOM 855 C VAL A 78 -13.678 9.630 -17.669 1.00 63.51 C ATOM 856 O VAL A 78 -14.288 10.525 -18.254 1.00 4.24 O ATOM 857 CB VAL A 78 -15.095 7.613 -18.059 1.00 34.14 C ATOM 858 CG1 VAL A 78 -14.045 6.918 -18.911 1.00 44.54 C ATOM 859 CG2 VAL A 78 -16.025 6.597 -17.412 1.00 13.40 C ATOM 0 H VAL A 78 -16.339 9.135 -16.418 1.00 51.22 H new ATOM 0 HA VAL A 78 -13.720 7.884 -16.419 1.00 13.32 H new ATOM 0 HB VAL A 78 -15.690 8.255 -18.709 1.00 34.14 H new ATOM 0 HG11 VAL A 78 -14.537 6.302 -19.664 1.00 44.54 H new ATOM 0 HG12 VAL A 78 -13.423 7.665 -19.403 1.00 44.54 H new ATOM 0 HG13 VAL A 78 -13.422 6.287 -18.277 1.00 44.54 H new ATOM 0 HG21 VAL A 78 -16.489 5.985 -18.185 1.00 13.40 H new ATOM 0 HG22 VAL A 78 -15.454 5.959 -16.738 1.00 13.40 H new ATOM 0 HG23 VAL A 78 -16.799 7.119 -16.849 1.00 13.40 H new ATOM 869 N PHE A 79 -12.352 9.588 -17.593 1.00 4.31 N ATOM 870 CA PHE A 79 -11.518 10.617 -18.205 1.00 34.12 C ATOM 871 C PHE A 79 -10.812 10.078 -19.446 1.00 35.04 C ATOM 872 O PHE A 79 -10.962 8.909 -19.799 1.00 72.14 O ATOM 873 CB PHE A 79 -10.486 11.131 -17.200 1.00 3.23 C ATOM 874 CG PHE A 79 -11.066 12.046 -16.159 1.00 62.12 C ATOM 875 CD1 PHE A 79 -11.211 13.400 -16.412 1.00 14.41 C ATOM 876 CD2 PHE A 79 -11.465 11.551 -14.928 1.00 11.20 C ATOM 877 CE1 PHE A 79 -11.745 14.245 -15.457 1.00 32.13 C ATOM 878 CE2 PHE A 79 -12.000 12.391 -13.969 1.00 61.32 C ATOM 879 CZ PHE A 79 -12.139 13.739 -14.233 1.00 50.33 C ATOM 0 H PHE A 79 -11.832 8.853 -17.114 1.00 4.31 H new ATOM 0 HA PHE A 79 -12.164 11.442 -18.506 1.00 34.12 H new ATOM 0 HB2 PHE A 79 -10.018 10.280 -16.704 1.00 3.23 H new ATOM 0 HB3 PHE A 79 -9.699 11.659 -17.738 1.00 3.23 H new ATOM 0 HD1 PHE A 79 -10.903 13.800 -17.367 1.00 14.41 H new ATOM 0 HD2 PHE A 79 -11.357 10.498 -14.715 1.00 11.20 H new ATOM 0 HE1 PHE A 79 -11.854 15.299 -15.667 1.00 32.13 H new ATOM 0 HE2 PHE A 79 -12.309 11.993 -13.014 1.00 61.32 H new ATOM 0 HZ PHE A 79 -12.555 14.397 -13.484 1.00 50.33 H new ATOM 889 N ALA A 80 -10.043 10.940 -20.103 1.00 32.25 N ATOM 890 CA ALA A 80 -9.313 10.551 -21.303 1.00 1.23 C ATOM 891 C ALA A 80 -8.269 9.484 -20.989 1.00 14.40 C ATOM 892 O ALA A 80 -8.123 8.508 -21.725 1.00 33.21 O ATOM 893 CB ALA A 80 -8.653 11.767 -21.936 1.00 54.22 C ATOM 0 H ALA A 80 -9.910 11.912 -19.824 1.00 32.25 H new ATOM 0 HA ALA A 80 -10.026 10.128 -22.011 1.00 1.23 H new ATOM 0 HB1 ALA A 80 -8.111 11.462 -22.831 1.00 54.22 H new ATOM 0 HB2 ALA A 80 -9.417 12.497 -22.205 1.00 54.22 H new ATOM 0 HB3 ALA A 80 -7.958 12.214 -21.226 1.00 54.22 H new ATOM 899 N THR A 81 -7.544 9.677 -19.892 1.00 0.14 N ATOM 900 CA THR A 81 -6.513 8.733 -19.482 1.00 25.34 C ATOM 901 C THR A 81 -6.119 8.946 -18.024 1.00 54.23 C ATOM 902 O THR A 81 -6.468 9.960 -17.421 1.00 14.33 O ATOM 903 CB THR A 81 -5.256 8.855 -20.364 1.00 2.33 C ATOM 904 OG1 THR A 81 -5.511 9.742 -21.459 1.00 23.10 O ATOM 905 CG2 THR A 81 -4.832 7.494 -20.895 1.00 12.15 C ATOM 0 H THR A 81 -7.652 10.479 -19.271 1.00 0.14 H new ATOM 0 HA THR A 81 -6.935 7.735 -19.599 1.00 25.34 H new ATOM 0 HB THR A 81 -4.448 9.256 -19.752 1.00 2.33 H new ATOM 0 HG1 THR A 81 -4.707 9.816 -22.014 1.00 23.10 H new ATOM 0 HG21 THR A 81 -3.942 7.606 -21.515 1.00 12.15 H new ATOM 0 HG22 THR A 81 -4.610 6.830 -20.059 1.00 12.15 H new ATOM 0 HG23 THR A 81 -5.639 7.069 -21.492 1.00 12.15 H new ATOM 913 N GLN A 82 -5.391 7.985 -17.466 1.00 32.13 N ATOM 914 CA GLN A 82 -4.951 8.069 -16.078 1.00 40.12 C ATOM 915 C GLN A 82 -4.250 9.397 -15.809 1.00 74.20 C ATOM 916 O GLN A 82 -4.290 9.914 -14.693 1.00 43.44 O ATOM 917 CB GLN A 82 -4.012 6.907 -15.747 1.00 54.54 C ATOM 918 CG GLN A 82 -4.162 6.391 -14.326 1.00 24.34 C ATOM 919 CD GLN A 82 -2.950 6.691 -13.465 1.00 60.23 C ATOM 920 OE1 GLN A 82 -2.283 5.780 -12.972 1.00 54.52 O ATOM 921 NE2 GLN A 82 -2.658 7.973 -13.280 1.00 62.05 N ATOM 0 H GLN A 82 -5.093 7.140 -17.953 1.00 32.13 H new ATOM 0 HA GLN A 82 -5.832 8.008 -15.439 1.00 40.12 H new ATOM 0 HB2 GLN A 82 -4.199 6.090 -16.443 1.00 54.54 H new ATOM 0 HB3 GLN A 82 -2.982 7.228 -15.902 1.00 54.54 H new ATOM 0 HG2 GLN A 82 -5.046 6.840 -13.872 1.00 24.34 H new ATOM 0 HG3 GLN A 82 -4.328 5.314 -14.350 1.00 24.34 H new ATOM 0 HE21 GLN A 82 -3.238 8.695 -13.707 1.00 62.05 H new ATOM 0 HE22 GLN A 82 -1.854 8.236 -12.710 1.00 62.05 H new ATOM 930 N GLU A 83 -3.610 9.942 -16.839 1.00 30.14 N ATOM 931 CA GLU A 83 -2.900 11.209 -16.711 1.00 42.14 C ATOM 932 C GLU A 83 -3.834 12.309 -16.216 1.00 11.13 C ATOM 933 O GLU A 83 -3.543 12.989 -15.232 1.00 2.02 O ATOM 934 CB GLU A 83 -2.286 11.612 -18.054 1.00 15.41 C ATOM 935 CG GLU A 83 -1.150 10.708 -18.500 1.00 72.23 C ATOM 936 CD GLU A 83 -0.619 11.072 -19.873 1.00 52.31 C ATOM 937 OE1 GLU A 83 -1.385 10.962 -20.853 1.00 54.32 O ATOM 938 OE2 GLU A 83 0.562 11.467 -19.968 1.00 33.14 O ATOM 0 H GLU A 83 -3.569 9.527 -17.770 1.00 30.14 H new ATOM 0 HA GLU A 83 -2.103 11.077 -15.979 1.00 42.14 H new ATOM 0 HB2 GLU A 83 -3.065 11.605 -18.816 1.00 15.41 H new ATOM 0 HB3 GLU A 83 -1.918 12.636 -17.983 1.00 15.41 H new ATOM 0 HG2 GLU A 83 -0.339 10.765 -17.774 1.00 72.23 H new ATOM 0 HG3 GLU A 83 -1.496 9.674 -18.511 1.00 72.23 H new ATOM 945 N SER A 84 -4.958 12.478 -16.905 1.00 60.00 N ATOM 946 CA SER A 84 -5.934 13.498 -16.538 1.00 64.24 C ATOM 947 C SER A 84 -6.688 13.098 -15.274 1.00 1.41 C ATOM 948 O SER A 84 -6.891 13.914 -14.375 1.00 41.33 O ATOM 949 CB SER A 84 -6.921 13.725 -17.685 1.00 31.52 C ATOM 950 OG SER A 84 -6.625 14.921 -18.384 1.00 1.01 O ATOM 0 H SER A 84 -5.216 11.922 -17.720 1.00 60.00 H new ATOM 0 HA SER A 84 -5.397 14.426 -16.341 1.00 64.24 H new ATOM 0 HB2 SER A 84 -6.885 12.880 -18.373 1.00 31.52 H new ATOM 0 HB3 SER A 84 -7.936 13.772 -17.291 1.00 31.52 H new ATOM 0 HG SER A 84 -7.269 15.042 -19.113 1.00 1.01 H new ATOM 956 N ALA A 85 -7.101 11.837 -15.212 1.00 61.35 N ATOM 957 CA ALA A 85 -7.831 11.327 -14.058 1.00 41.13 C ATOM 958 C ALA A 85 -7.077 11.610 -12.763 1.00 52.33 C ATOM 959 O ALA A 85 -7.621 12.211 -11.837 1.00 74.40 O ATOM 960 CB ALA A 85 -8.082 9.834 -14.210 1.00 2.14 C ATOM 0 H ALA A 85 -6.942 11.149 -15.948 1.00 61.35 H new ATOM 0 HA ALA A 85 -8.790 11.842 -14.009 1.00 41.13 H new ATOM 0 HB1 ALA A 85 -8.628 9.467 -13.341 1.00 2.14 H new ATOM 0 HB2 ALA A 85 -8.669 9.654 -15.110 1.00 2.14 H new ATOM 0 HB3 ALA A 85 -7.129 9.311 -14.288 1.00 2.14 H new ATOM 966 N GLN A 86 -5.823 11.174 -12.706 1.00 71.43 N ATOM 967 CA GLN A 86 -4.996 11.380 -11.523 1.00 71.42 C ATOM 968 C GLN A 86 -4.946 12.856 -11.144 1.00 52.03 C ATOM 969 O GLN A 86 -4.951 13.204 -9.964 1.00 41.40 O ATOM 970 CB GLN A 86 -3.580 10.855 -11.767 1.00 40.34 C ATOM 971 CG GLN A 86 -2.597 11.221 -10.667 1.00 15.43 C ATOM 972 CD GLN A 86 -1.411 10.279 -10.606 1.00 52.43 C ATOM 973 OE1 GLN A 86 -1.360 9.380 -9.767 1.00 32.11 O ATOM 974 NE2 GLN A 86 -0.449 10.481 -11.499 1.00 2.04 N ATOM 0 H GLN A 86 -5.358 10.676 -13.465 1.00 71.43 H new ATOM 0 HA GLN A 86 -5.443 10.827 -10.697 1.00 71.42 H new ATOM 0 HB2 GLN A 86 -3.616 9.770 -11.865 1.00 40.34 H new ATOM 0 HB3 GLN A 86 -3.214 11.248 -12.715 1.00 40.34 H new ATOM 0 HG2 GLN A 86 -2.240 12.238 -10.828 1.00 15.43 H new ATOM 0 HG3 GLN A 86 -3.113 11.212 -9.707 1.00 15.43 H new ATOM 0 HE21 GLN A 86 -0.533 11.239 -12.177 1.00 2.04 H new ATOM 0 HE22 GLN A 86 0.374 9.878 -11.507 1.00 2.04 H new ATOM 983 N ALA A 87 -4.898 13.720 -12.153 1.00 62.54 N ATOM 984 CA ALA A 87 -4.849 15.158 -11.926 1.00 4.42 C ATOM 985 C ALA A 87 -6.110 15.646 -11.221 1.00 2.21 C ATOM 986 O ALA A 87 -6.037 16.373 -10.230 1.00 34.24 O ATOM 987 CB ALA A 87 -4.660 15.895 -13.244 1.00 1.03 C ATOM 0 H ALA A 87 -4.892 13.448 -13.136 1.00 62.54 H new ATOM 0 HA ALA A 87 -3.998 15.369 -11.279 1.00 4.42 H new ATOM 0 HB1 ALA A 87 -4.625 16.969 -13.059 1.00 1.03 H new ATOM 0 HB2 ALA A 87 -3.727 15.576 -13.708 1.00 1.03 H new ATOM 0 HB3 ALA A 87 -5.493 15.669 -13.910 1.00 1.03 H new ATOM 993 N PHE A 88 -7.265 15.243 -11.739 1.00 32.21 N ATOM 994 CA PHE A 88 -8.543 15.640 -11.160 1.00 10.53 C ATOM 995 C PHE A 88 -8.747 14.990 -9.794 1.00 53.25 C ATOM 996 O PHE A 88 -9.294 15.604 -8.878 1.00 20.54 O ATOM 997 CB PHE A 88 -9.692 15.259 -12.096 1.00 0.43 C ATOM 998 CG PHE A 88 -11.048 15.386 -11.462 1.00 70.24 C ATOM 999 CD1 PHE A 88 -11.612 14.318 -10.783 1.00 12.10 C ATOM 1000 CD2 PHE A 88 -11.759 16.572 -11.547 1.00 41.11 C ATOM 1001 CE1 PHE A 88 -12.860 14.431 -10.199 1.00 3.13 C ATOM 1002 CE2 PHE A 88 -13.007 16.691 -10.965 1.00 4.15 C ATOM 1003 CZ PHE A 88 -13.558 15.619 -10.291 1.00 32.04 C ATOM 0 H PHE A 88 -7.342 14.641 -12.559 1.00 32.21 H new ATOM 0 HA PHE A 88 -8.534 16.722 -11.030 1.00 10.53 H new ATOM 0 HB2 PHE A 88 -9.653 15.892 -12.982 1.00 0.43 H new ATOM 0 HB3 PHE A 88 -9.551 14.232 -12.432 1.00 0.43 H new ATOM 0 HD1 PHE A 88 -11.070 13.387 -10.709 1.00 12.10 H new ATOM 0 HD2 PHE A 88 -11.333 17.413 -12.074 1.00 41.11 H new ATOM 0 HE1 PHE A 88 -13.288 13.591 -9.672 1.00 3.13 H new ATOM 0 HE2 PHE A 88 -13.551 17.621 -11.037 1.00 4.15 H new ATOM 0 HZ PHE A 88 -14.533 15.710 -9.836 1.00 32.04 H new ATOM 1013 N VAL A 89 -8.304 13.743 -9.667 1.00 54.43 N ATOM 1014 CA VAL A 89 -8.437 13.009 -8.415 1.00 34.21 C ATOM 1015 C VAL A 89 -7.624 13.664 -7.304 1.00 51.24 C ATOM 1016 O VAL A 89 -8.073 13.751 -6.162 1.00 20.20 O ATOM 1017 CB VAL A 89 -7.985 11.545 -8.572 1.00 70.10 C ATOM 1018 CG1 VAL A 89 -8.035 10.824 -7.234 1.00 23.14 C ATOM 1019 CG2 VAL A 89 -8.844 10.830 -9.604 1.00 51.12 C ATOM 0 H VAL A 89 -7.850 13.220 -10.416 1.00 54.43 H new ATOM 0 HA VAL A 89 -9.494 13.029 -8.148 1.00 34.21 H new ATOM 0 HB VAL A 89 -6.953 11.538 -8.923 1.00 70.10 H new ATOM 0 HG11 VAL A 89 -7.712 9.791 -7.365 1.00 23.14 H new ATOM 0 HG12 VAL A 89 -7.374 11.324 -6.526 1.00 23.14 H new ATOM 0 HG13 VAL A 89 -9.055 10.839 -6.850 1.00 23.14 H new ATOM 0 HG21 VAL A 89 -8.511 9.797 -9.702 1.00 51.12 H new ATOM 0 HG22 VAL A 89 -9.886 10.846 -9.284 1.00 51.12 H new ATOM 0 HG23 VAL A 89 -8.752 11.334 -10.566 1.00 51.12 H new ATOM 1029 N GLU A 90 -6.425 14.125 -7.649 1.00 35.52 N ATOM 1030 CA GLU A 90 -5.549 14.772 -6.680 1.00 13.22 C ATOM 1031 C GLU A 90 -5.912 16.246 -6.518 1.00 62.31 C ATOM 1032 O GLU A 90 -5.669 16.844 -5.471 1.00 3.32 O ATOM 1033 CB GLU A 90 -4.088 14.640 -7.112 1.00 65.23 C ATOM 1034 CG GLU A 90 -3.704 15.566 -8.254 1.00 75.24 C ATOM 1035 CD GLU A 90 -2.247 15.431 -8.651 1.00 72.22 C ATOM 1036 OE1 GLU A 90 -1.435 15.022 -7.795 1.00 33.13 O ATOM 1037 OE2 GLU A 90 -1.919 15.734 -9.817 1.00 65.10 O ATOM 0 H GLU A 90 -6.039 14.062 -8.591 1.00 35.52 H new ATOM 0 HA GLU A 90 -5.682 14.275 -5.719 1.00 13.22 H new ATOM 0 HB2 GLU A 90 -3.445 14.846 -6.256 1.00 65.23 H new ATOM 0 HB3 GLU A 90 -3.898 13.609 -7.412 1.00 65.23 H new ATOM 0 HG2 GLU A 90 -4.333 15.351 -9.118 1.00 75.24 H new ATOM 0 HG3 GLU A 90 -3.903 16.597 -7.963 1.00 75.24 H new ATOM 1044 N ALA A 91 -6.494 16.824 -7.564 1.00 33.25 N ATOM 1045 CA ALA A 91 -6.892 18.226 -7.538 1.00 23.12 C ATOM 1046 C ALA A 91 -8.144 18.426 -6.691 1.00 50.10 C ATOM 1047 O ALA A 91 -8.431 19.536 -6.242 1.00 52.02 O ATOM 1048 CB ALA A 91 -7.122 18.735 -8.953 1.00 12.10 C ATOM 0 H ALA A 91 -6.700 16.343 -8.440 1.00 33.25 H new ATOM 0 HA ALA A 91 -6.084 18.799 -7.084 1.00 23.12 H new ATOM 0 HB1 ALA A 91 -7.419 19.783 -8.919 1.00 12.10 H new ATOM 0 HB2 ALA A 91 -6.202 18.637 -9.529 1.00 12.10 H new ATOM 0 HB3 ALA A 91 -7.910 18.150 -9.426 1.00 12.10 H new ATOM 1054 N PHE A 92 -8.887 17.345 -6.477 1.00 2.22 N ATOM 1055 CA PHE A 92 -10.110 17.403 -5.685 1.00 20.21 C ATOM 1056 C PHE A 92 -10.101 16.338 -4.592 1.00 71.22 C ATOM 1057 O PHE A 92 -11.108 16.115 -3.921 1.00 11.54 O ATOM 1058 CB PHE A 92 -11.334 17.217 -6.584 1.00 70.10 C ATOM 1059 CG PHE A 92 -11.623 18.405 -7.456 1.00 51.13 C ATOM 1060 CD1 PHE A 92 -10.759 18.755 -8.481 1.00 50.13 C ATOM 1061 CD2 PHE A 92 -12.759 19.171 -7.252 1.00 10.54 C ATOM 1062 CE1 PHE A 92 -11.022 19.848 -9.285 1.00 14.42 C ATOM 1063 CE2 PHE A 92 -13.028 20.266 -8.052 1.00 61.32 C ATOM 1064 CZ PHE A 92 -12.159 20.604 -9.071 1.00 23.22 C ATOM 0 H PHE A 92 -8.664 16.419 -6.841 1.00 2.22 H new ATOM 0 HA PHE A 92 -10.161 18.384 -5.212 1.00 20.21 H new ATOM 0 HB2 PHE A 92 -11.182 16.342 -7.215 1.00 70.10 H new ATOM 0 HB3 PHE A 92 -12.205 17.013 -5.961 1.00 70.10 H new ATOM 0 HD1 PHE A 92 -9.870 18.167 -8.654 1.00 50.13 H new ATOM 0 HD2 PHE A 92 -13.443 18.910 -6.458 1.00 10.54 H new ATOM 0 HE1 PHE A 92 -10.340 20.111 -10.080 1.00 14.42 H new ATOM 0 HE2 PHE A 92 -13.916 20.856 -7.880 1.00 61.32 H new ATOM 0 HZ PHE A 92 -12.368 21.457 -9.699 1.00 23.22 H new ATOM 1074 N GLN A 93 -8.957 15.683 -4.422 1.00 12.03 N ATOM 1075 CA GLN A 93 -8.817 14.641 -3.412 1.00 34.51 C ATOM 1076 C GLN A 93 -9.372 15.106 -2.069 1.00 65.52 C ATOM 1077 O GLN A 93 -9.924 14.314 -1.307 1.00 32.03 O ATOM 1078 CB GLN A 93 -7.349 14.242 -3.260 1.00 65.42 C ATOM 1079 CG GLN A 93 -7.065 13.431 -2.006 1.00 24.01 C ATOM 1080 CD GLN A 93 -7.856 12.139 -1.955 1.00 23.24 C ATOM 1081 OE1 GLN A 93 -7.953 11.417 -2.948 1.00 0.24 O ATOM 1082 NE2 GLN A 93 -8.426 11.839 -0.794 1.00 12.34 N ATOM 0 H GLN A 93 -8.114 15.855 -4.970 1.00 12.03 H new ATOM 0 HA GLN A 93 -9.389 13.773 -3.740 1.00 34.51 H new ATOM 0 HB2 GLN A 93 -7.046 13.664 -4.133 1.00 65.42 H new ATOM 0 HB3 GLN A 93 -6.736 15.143 -3.246 1.00 65.42 H new ATOM 0 HG2 GLN A 93 -6.000 13.203 -1.959 1.00 24.01 H new ATOM 0 HG3 GLN A 93 -7.301 14.032 -1.128 1.00 24.01 H new ATOM 0 HE21 GLN A 93 -8.320 12.466 0.003 1.00 12.34 H new ATOM 0 HE22 GLN A 93 -8.970 10.981 -0.699 1.00 12.34 H new ATOM 1091 N GLY A 94 -9.219 16.396 -1.786 1.00 60.22 N ATOM 1092 CA GLY A 94 -9.709 16.944 -0.535 1.00 21.31 C ATOM 1093 C GLY A 94 -10.449 18.253 -0.725 1.00 63.14 C ATOM 1094 O GLY A 94 -10.043 19.286 -0.193 1.00 15.25 O ATOM 0 H GLY A 94 -8.764 17.071 -2.401 1.00 60.22 H new ATOM 0 HA2 GLY A 94 -10.372 16.221 -0.060 1.00 21.31 H new ATOM 0 HA3 GLY A 94 -8.870 17.100 0.143 1.00 21.31 H new ATOM 1098 N TYR A 95 -11.535 18.211 -1.488 1.00 73.23 N ATOM 1099 CA TYR A 95 -12.331 19.404 -1.751 1.00 71.14 C ATOM 1100 C TYR A 95 -13.798 19.168 -1.404 1.00 61.23 C ATOM 1101 O TYR A 95 -14.377 18.127 -1.717 1.00 2.20 O ATOM 1102 CB TYR A 95 -12.203 19.815 -3.219 1.00 65.22 C ATOM 1103 CG TYR A 95 -13.064 21.000 -3.594 1.00 25.11 C ATOM 1104 CD1 TYR A 95 -14.403 20.834 -3.925 1.00 24.01 C ATOM 1105 CD2 TYR A 95 -12.538 22.286 -3.616 1.00 22.12 C ATOM 1106 CE1 TYR A 95 -15.193 21.914 -4.269 1.00 25.15 C ATOM 1107 CE2 TYR A 95 -13.321 23.372 -3.957 1.00 23.12 C ATOM 1108 CZ TYR A 95 -14.647 23.181 -4.283 1.00 32.31 C ATOM 1109 OH TYR A 95 -15.431 24.259 -4.623 1.00 51.23 O ATOM 0 H TYR A 95 -11.885 17.364 -1.935 1.00 73.23 H new ATOM 0 HA TYR A 95 -11.952 20.208 -1.121 1.00 71.14 H new ATOM 0 HB2 TYR A 95 -11.161 20.052 -3.431 1.00 65.22 H new ATOM 0 HB3 TYR A 95 -12.472 18.967 -3.850 1.00 65.22 H new ATOM 0 HD1 TYR A 95 -14.834 19.844 -3.913 1.00 24.01 H new ATOM 0 HD2 TYR A 95 -11.499 22.439 -3.362 1.00 22.12 H new ATOM 0 HE1 TYR A 95 -16.232 21.767 -4.525 1.00 25.15 H new ATOM 0 HE2 TYR A 95 -12.897 24.365 -3.968 1.00 23.12 H new ATOM 0 HH TYR A 95 -14.895 25.079 -4.583 1.00 51.23 H new ATOM 1119 N PRO A 96 -14.415 20.158 -0.742 1.00 62.22 N ATOM 1120 CA PRO A 96 -15.822 20.083 -0.339 1.00 10.45 C ATOM 1121 C PRO A 96 -16.771 20.156 -1.530 1.00 14.34 C ATOM 1122 O PRO A 96 -16.981 21.224 -2.105 1.00 1.52 O ATOM 1123 CB PRO A 96 -15.998 21.309 0.561 1.00 12.04 C ATOM 1124 CG PRO A 96 -14.952 22.267 0.106 1.00 25.45 C ATOM 1125 CD PRO A 96 -13.786 21.426 -0.337 1.00 51.30 C ATOM 0 HA PRO A 96 -16.056 19.139 0.153 1.00 10.45 H new ATOM 0 HB2 PRO A 96 -16.996 21.735 0.459 1.00 12.04 H new ATOM 0 HB3 PRO A 96 -15.868 21.051 1.612 1.00 12.04 H new ATOM 0 HG2 PRO A 96 -15.319 22.887 -0.712 1.00 25.45 H new ATOM 0 HG3 PRO A 96 -14.663 22.941 0.912 1.00 25.45 H new ATOM 0 HD2 PRO A 96 -13.247 21.889 -1.164 1.00 51.30 H new ATOM 0 HD3 PRO A 96 -13.067 21.279 0.469 1.00 51.30 H new ATOM 1133 N PHE A 97 -17.344 19.014 -1.895 1.00 22.11 N ATOM 1134 CA PHE A 97 -18.271 18.949 -3.018 1.00 71.55 C ATOM 1135 C PHE A 97 -19.530 18.173 -2.640 1.00 42.24 C ATOM 1136 O PHE A 97 -19.478 17.238 -1.842 1.00 70.12 O ATOM 1137 CB PHE A 97 -17.598 18.292 -4.225 1.00 45.35 C ATOM 1138 CG PHE A 97 -18.537 18.031 -5.368 1.00 12.32 C ATOM 1139 CD1 PHE A 97 -19.038 19.079 -6.123 1.00 51.14 C ATOM 1140 CD2 PHE A 97 -18.920 16.738 -5.686 1.00 1.13 C ATOM 1141 CE1 PHE A 97 -19.903 18.842 -7.176 1.00 3.45 C ATOM 1142 CE2 PHE A 97 -19.784 16.495 -6.737 1.00 3.32 C ATOM 1143 CZ PHE A 97 -20.277 17.549 -7.482 1.00 23.31 C ATOM 0 H PHE A 97 -17.182 18.121 -1.429 1.00 22.11 H new ATOM 0 HA PHE A 97 -18.557 19.968 -3.279 1.00 71.55 H new ATOM 0 HB2 PHE A 97 -16.786 18.932 -4.571 1.00 45.35 H new ATOM 0 HB3 PHE A 97 -17.149 17.349 -3.912 1.00 45.35 H new ATOM 0 HD1 PHE A 97 -18.750 20.093 -5.887 1.00 51.14 H new ATOM 0 HD2 PHE A 97 -18.539 15.910 -5.106 1.00 1.13 H new ATOM 0 HE1 PHE A 97 -20.285 19.668 -7.758 1.00 3.45 H new ATOM 0 HE2 PHE A 97 -20.073 15.482 -6.976 1.00 3.32 H new ATOM 0 HZ PHE A 97 -20.954 17.362 -8.302 1.00 23.31 H new ATOM 1153 N GLN A 98 -20.658 18.570 -3.219 1.00 53.24 N ATOM 1154 CA GLN A 98 -21.930 17.914 -2.942 1.00 75.33 C ATOM 1155 C GLN A 98 -22.214 17.886 -1.444 1.00 24.30 C ATOM 1156 O GLN A 98 -22.917 17.005 -0.951 1.00 61.34 O ATOM 1157 CB GLN A 98 -21.925 16.489 -3.499 1.00 52.02 C ATOM 1158 CG GLN A 98 -23.064 16.210 -4.467 1.00 64.02 C ATOM 1159 CD GLN A 98 -24.401 16.707 -3.955 1.00 3.44 C ATOM 1160 OE1 GLN A 98 -24.853 17.794 -4.318 1.00 23.32 O ATOM 1161 NE2 GLN A 98 -25.042 15.913 -3.105 1.00 51.24 N ATOM 0 H GLN A 98 -20.717 19.342 -3.883 1.00 53.24 H new ATOM 0 HA GLN A 98 -22.719 18.485 -3.432 1.00 75.33 H new ATOM 0 HB2 GLN A 98 -20.977 16.309 -4.005 1.00 52.02 H new ATOM 0 HB3 GLN A 98 -21.983 15.784 -2.670 1.00 52.02 H new ATOM 0 HG2 GLN A 98 -22.847 16.685 -5.424 1.00 64.02 H new ATOM 0 HG3 GLN A 98 -23.126 15.137 -4.650 1.00 64.02 H new ATOM 0 HE21 GLN A 98 -24.631 15.021 -2.831 1.00 51.24 H new ATOM 0 HE22 GLN A 98 -25.946 16.195 -2.726 1.00 51.24 H new ATOM 1170 N GLY A 99 -21.660 18.857 -0.724 1.00 31.34 N ATOM 1171 CA GLY A 99 -21.864 18.924 0.712 1.00 54.24 C ATOM 1172 C GLY A 99 -20.571 19.142 1.472 1.00 52.54 C ATOM 1173 O GLY A 99 -20.408 20.152 2.155 1.00 13.22 O ATOM 0 H GLY A 99 -21.074 19.598 -1.109 1.00 31.34 H new ATOM 0 HA2 GLY A 99 -22.557 19.734 0.940 1.00 54.24 H new ATOM 0 HA3 GLY A 99 -22.331 18.000 1.053 1.00 54.24 H new ATOM 1177 N ASN A 100 -19.650 18.192 1.354 1.00 44.14 N ATOM 1178 CA ASN A 100 -18.365 18.284 2.037 1.00 3.34 C ATOM 1179 C ASN A 100 -17.520 17.041 1.777 1.00 4.01 C ATOM 1180 O ASN A 100 -16.412 17.113 1.245 1.00 42.43 O ATOM 1181 CB ASN A 100 -18.576 18.465 3.542 1.00 40.21 C ATOM 1182 CG ASN A 100 -17.467 17.835 4.361 1.00 23.44 C ATOM 1183 OD1 ASN A 100 -16.285 18.000 4.058 1.00 0.24 O ATOM 1184 ND2 ASN A 100 -17.844 17.107 5.406 1.00 23.41 N ATOM 0 H ASN A 100 -19.769 17.349 0.792 1.00 44.14 H new ATOM 0 HA ASN A 100 -17.834 19.151 1.644 1.00 3.34 H new ATOM 0 HB2 ASN A 100 -18.635 19.529 3.773 1.00 40.21 H new ATOM 0 HB3 ASN A 100 -19.531 18.024 3.828 1.00 40.21 H new ATOM 0 HD21 ASN A 100 -17.142 16.658 5.994 1.00 23.41 H new ATOM 0 HD22 ASN A 100 -18.835 16.997 5.620 1.00 23.41 H new ATOM 1191 N PRO A 101 -18.053 15.872 2.160 1.00 34.24 N ATOM 1192 CA PRO A 101 -17.366 14.590 1.978 1.00 71.04 C ATOM 1193 C PRO A 101 -17.280 14.182 0.511 1.00 55.01 C ATOM 1194 O PRO A 101 -18.263 13.726 -0.076 1.00 0.13 O ATOM 1195 CB PRO A 101 -18.241 13.604 2.757 1.00 44.33 C ATOM 1196 CG PRO A 101 -19.595 14.225 2.766 1.00 60.35 C ATOM 1197 CD PRO A 101 -19.369 15.711 2.801 1.00 35.12 C ATOM 0 HA PRO A 101 -16.333 14.629 2.323 1.00 71.04 H new ATOM 0 HB2 PRO A 101 -18.258 12.625 2.278 1.00 44.33 H new ATOM 0 HB3 PRO A 101 -17.866 13.457 3.770 1.00 44.33 H new ATOM 0 HG2 PRO A 101 -20.162 13.937 1.881 1.00 60.35 H new ATOM 0 HG3 PRO A 101 -20.169 13.897 3.633 1.00 60.35 H new ATOM 0 HD2 PRO A 101 -20.148 16.249 2.260 1.00 35.12 H new ATOM 0 HD3 PRO A 101 -19.368 16.093 3.822 1.00 35.12 H new ATOM 1205 N LEU A 102 -16.101 14.348 -0.077 1.00 3.04 N ATOM 1206 CA LEU A 102 -15.887 13.996 -1.476 1.00 45.21 C ATOM 1207 C LEU A 102 -14.650 13.117 -1.634 1.00 1.35 C ATOM 1208 O LEU A 102 -13.542 13.516 -1.273 1.00 32.51 O ATOM 1209 CB LEU A 102 -15.739 15.261 -2.323 1.00 45.15 C ATOM 1210 CG LEU A 102 -15.297 15.051 -3.772 1.00 61.42 C ATOM 1211 CD1 LEU A 102 -16.435 14.472 -4.598 1.00 60.43 C ATOM 1212 CD2 LEU A 102 -14.809 16.359 -4.377 1.00 1.15 C ATOM 0 H LEU A 102 -15.278 14.724 0.393 1.00 3.04 H new ATOM 0 HA LEU A 102 -16.755 13.434 -1.821 1.00 45.21 H new ATOM 0 HB2 LEU A 102 -16.695 15.785 -2.328 1.00 45.15 H new ATOM 0 HB3 LEU A 102 -15.018 15.918 -1.836 1.00 45.15 H new ATOM 0 HG LEU A 102 -14.471 14.340 -3.780 1.00 61.42 H new ATOM 0 HD11 LEU A 102 -16.102 14.329 -5.626 1.00 60.43 H new ATOM 0 HD12 LEU A 102 -16.738 13.513 -4.178 1.00 60.43 H new ATOM 0 HD13 LEU A 102 -17.282 15.158 -4.583 1.00 60.43 H new ATOM 0 HD21 LEU A 102 -14.499 16.190 -5.408 1.00 1.15 H new ATOM 0 HD22 LEU A 102 -15.615 17.092 -4.356 1.00 1.15 H new ATOM 0 HD23 LEU A 102 -13.963 16.733 -3.800 1.00 1.15 H new ATOM 1224 N VAL A 103 -14.846 11.920 -2.177 1.00 13.03 N ATOM 1225 CA VAL A 103 -13.747 10.986 -2.385 1.00 62.44 C ATOM 1226 C VAL A 103 -13.549 10.692 -3.868 1.00 40.23 C ATOM 1227 O VAL A 103 -14.515 10.503 -4.608 1.00 51.32 O ATOM 1228 CB VAL A 103 -13.987 9.660 -1.639 1.00 13.13 C ATOM 1229 CG1 VAL A 103 -12.879 9.408 -0.628 1.00 32.13 C ATOM 1230 CG2 VAL A 103 -15.348 9.671 -0.959 1.00 11.31 C ATOM 0 H VAL A 103 -15.756 11.574 -2.481 1.00 13.03 H new ATOM 0 HA VAL A 103 -12.850 11.461 -1.988 1.00 62.44 H new ATOM 0 HB VAL A 103 -13.975 8.847 -2.365 1.00 13.13 H new ATOM 0 HG11 VAL A 103 -13.066 8.467 -0.111 1.00 32.13 H new ATOM 0 HG12 VAL A 103 -11.921 9.354 -1.144 1.00 32.13 H new ATOM 0 HG13 VAL A 103 -12.856 10.222 0.097 1.00 32.13 H new ATOM 0 HG21 VAL A 103 -15.501 8.727 -0.437 1.00 11.31 H new ATOM 0 HG22 VAL A 103 -15.391 10.492 -0.244 1.00 11.31 H new ATOM 0 HG23 VAL A 103 -16.128 9.802 -1.709 1.00 11.31 H new ATOM 1240 N ILE A 104 -12.291 10.655 -4.296 1.00 35.12 N ATOM 1241 CA ILE A 104 -11.967 10.383 -5.691 1.00 30.35 C ATOM 1242 C ILE A 104 -10.825 9.378 -5.803 1.00 53.23 C ATOM 1243 O ILE A 104 -9.741 9.589 -5.259 1.00 10.13 O ATOM 1244 CB ILE A 104 -11.578 11.671 -6.440 1.00 34.11 C ATOM 1245 CG1 ILE A 104 -10.996 12.698 -5.466 1.00 75.40 C ATOM 1246 CG2 ILE A 104 -12.785 12.246 -7.166 1.00 15.03 C ATOM 1247 CD1 ILE A 104 -12.046 13.551 -4.789 1.00 32.53 C ATOM 0 H ILE A 104 -11.480 10.810 -3.697 1.00 35.12 H new ATOM 0 HA ILE A 104 -12.863 9.964 -6.148 1.00 30.35 H new ATOM 0 HB ILE A 104 -10.815 11.427 -7.180 1.00 34.11 H new ATOM 0 HG12 ILE A 104 -10.417 12.177 -4.704 1.00 75.40 H new ATOM 0 HG13 ILE A 104 -10.305 13.346 -6.004 1.00 75.40 H new ATOM 0 HG21 ILE A 104 -12.494 13.156 -7.691 1.00 15.03 H new ATOM 0 HG22 ILE A 104 -13.159 11.517 -7.884 1.00 15.03 H new ATOM 0 HG23 ILE A 104 -13.568 12.478 -6.444 1.00 15.03 H new ATOM 0 HD11 ILE A 104 -11.562 14.256 -4.113 1.00 32.53 H new ATOM 0 HD12 ILE A 104 -12.610 14.100 -5.543 1.00 32.53 H new ATOM 0 HD13 ILE A 104 -12.724 12.912 -4.222 1.00 32.53 H new ATOM 1259 N THR A 105 -11.075 8.284 -6.516 1.00 51.01 N ATOM 1260 CA THR A 105 -10.069 7.246 -6.702 1.00 4.53 C ATOM 1261 C THR A 105 -10.180 6.613 -8.084 1.00 14.02 C ATOM 1262 O THR A 105 -11.167 6.815 -8.792 1.00 43.24 O ATOM 1263 CB THR A 105 -10.194 6.145 -5.633 1.00 21.42 C ATOM 1264 OG1 THR A 105 -11.573 5.827 -5.416 1.00 12.23 O ATOM 1265 CG2 THR A 105 -9.558 6.586 -4.323 1.00 43.04 C ATOM 0 H THR A 105 -11.966 8.094 -6.974 1.00 51.01 H new ATOM 0 HA THR A 105 -9.096 7.728 -6.604 1.00 4.53 H new ATOM 0 HB THR A 105 -9.669 5.260 -5.993 1.00 21.42 H new ATOM 0 HG1 THR A 105 -11.644 5.125 -4.736 1.00 12.23 H new ATOM 0 HG21 THR A 105 -9.659 5.791 -3.584 1.00 43.04 H new ATOM 0 HG22 THR A 105 -8.501 6.799 -4.485 1.00 43.04 H new ATOM 0 HG23 THR A 105 -10.057 7.484 -3.960 1.00 43.04 H new ATOM 1273 N PHE A 106 -9.164 5.845 -8.462 1.00 2.05 N ATOM 1274 CA PHE A 106 -9.148 5.182 -9.760 1.00 72.40 C ATOM 1275 C PHE A 106 -9.919 3.866 -9.708 1.00 21.32 C ATOM 1276 O PHE A 106 -10.215 3.350 -8.630 1.00 71.21 O ATOM 1277 CB PHE A 106 -7.708 4.925 -10.208 1.00 22.41 C ATOM 1278 CG PHE A 106 -6.822 6.133 -10.101 1.00 53.13 C ATOM 1279 CD1 PHE A 106 -6.759 7.055 -11.134 1.00 1.13 C ATOM 1280 CD2 PHE A 106 -6.054 6.348 -8.969 1.00 23.54 C ATOM 1281 CE1 PHE A 106 -5.944 8.167 -11.038 1.00 52.44 C ATOM 1282 CE2 PHE A 106 -5.237 7.458 -8.867 1.00 55.44 C ATOM 1283 CZ PHE A 106 -5.184 8.370 -9.903 1.00 44.04 C ATOM 0 H PHE A 106 -8.340 5.666 -7.887 1.00 2.05 H new ATOM 0 HA PHE A 106 -9.633 5.839 -10.481 1.00 72.40 H new ATOM 0 HB2 PHE A 106 -7.287 4.121 -9.605 1.00 22.41 H new ATOM 0 HB3 PHE A 106 -7.714 4.579 -11.242 1.00 22.41 H new ATOM 0 HD1 PHE A 106 -7.353 6.903 -12.023 1.00 1.13 H new ATOM 0 HD2 PHE A 106 -6.094 5.639 -8.155 1.00 23.54 H new ATOM 0 HE1 PHE A 106 -5.901 8.877 -11.851 1.00 52.44 H new ATOM 0 HE2 PHE A 106 -4.641 7.612 -7.979 1.00 55.44 H new ATOM 0 HZ PHE A 106 -4.549 9.240 -9.826 1.00 44.04 H new