USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 577 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 64 THR OG1 : rot 49:sc= -0.569! USER MOD Set 1.2: A 67 SER OG : rot -47:sc= -1.07 USER MOD Set 2.1: A 30 MET CE :methyl -137:sc= -5.61! (180deg=-9.08!) USER MOD Set 2.2: A 34 SER OG : rot -6:sc= 0.992 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= 0.634 K(o=0.63,f=-0.77) USER MOD Single : A 17 MET CE :methyl 153:sc= -0.125 (180deg=-1.03) USER MOD Single : A 18 HIS : no HD1:sc= -2.8 X(o=-2.8,f=-2.4!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 2:sc= -2.92! USER MOD Single : A 36 LYS NZ :NH3+ -113:sc= 0.582 (180deg=-2.29!) USER MOD Single : A 38 MET CE :methyl -135:sc= -4.99! (180deg=-9.4!) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= 1.8 K(o=1.8,f=-9.5!) USER MOD Single : A 51 GLN :FLIP amide:sc= -2.29 F(o=-5.5!,f=-2.3) USER MOD Single : A 62 GLN : amide:sc= -0.216 X(o=-0.22,f=-0.26) USER MOD Single : A 66 HIS :FLIP no HD1:sc= -2.35 F(o=-3!,f=-2.3) USER MOD Single : A 68 HIS : no HD1:sc= -3.94! C(o=-3.9!,f=-15!) USER MOD Single : A 72 GLN :FLIP amide:sc= -1.87 F(o=-6.4!,f=-1.9) USER MOD Single : A 73 ASN :FLIP amide:sc= 0 F(o=-0.98,f=0) USER MOD Single : A 76 SER OG : rot -67:sc= 1.24 USER MOD Single : A 78 TYR OH : rot -155:sc= 0.247 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 65 N ASP A 5 7.986 -6.807 1.110 1.00 70.34 N ATOM 66 CA ASP A 5 9.222 -7.559 1.248 1.00 52.01 C ATOM 67 C ASP A 5 8.858 -9.034 1.195 1.00 14.04 C ATOM 68 O ASP A 5 7.695 -9.371 0.967 1.00 34.30 O ATOM 69 CB ASP A 5 9.885 -7.252 2.614 1.00 72.04 C ATOM 70 CG ASP A 5 10.857 -6.083 2.523 1.00 32.43 C ATOM 71 OD1 ASP A 5 10.693 -5.253 1.655 1.00 71.24 O ATOM 72 OD2 ASP A 5 11.755 -6.024 3.342 1.00 63.22 O ATOM 0 HA ASP A 5 9.920 -7.290 0.455 1.00 52.01 H new ATOM 0 HB2 ASP A 5 9.113 -7.026 3.350 1.00 72.04 H new ATOM 0 HB3 ASP A 5 10.414 -8.137 2.968 1.00 72.04 H new ATOM 77 N ILE A 6 9.777 -9.888 1.576 1.00 61.21 N ATOM 78 CA ILE A 6 9.469 -11.287 1.736 1.00 73.32 C ATOM 79 C ILE A 6 9.811 -11.724 3.151 1.00 11.45 C ATOM 80 O ILE A 6 10.589 -11.060 3.849 1.00 13.11 O ATOM 81 CB ILE A 6 10.184 -12.164 0.691 1.00 22.15 C ATOM 82 CG1 ILE A 6 11.704 -12.061 0.827 1.00 42.14 C ATOM 83 CG2 ILE A 6 9.786 -11.722 -0.718 1.00 61.31 C ATOM 84 CD1 ILE A 6 12.353 -13.120 -0.065 1.00 10.12 C ATOM 0 H ILE A 6 10.744 -9.638 1.781 1.00 61.21 H new ATOM 0 HA ILE A 6 8.400 -11.422 1.569 1.00 73.32 H new ATOM 0 HB ILE A 6 9.883 -13.198 0.863 1.00 22.15 H new ATOM 0 HG12 ILE A 6 12.042 -11.066 0.538 1.00 42.14 H new ATOM 0 HG13 ILE A 6 12.001 -12.209 1.865 1.00 42.14 H new ATOM 0 HG21 ILE A 6 10.295 -12.346 -1.452 1.00 61.31 H new ATOM 0 HG22 ILE A 6 8.708 -11.824 -0.840 1.00 61.31 H new ATOM 0 HG23 ILE A 6 10.071 -10.681 -0.867 1.00 61.31 H new ATOM 0 HD11 ILE A 6 13.437 -13.056 0.024 1.00 10.12 H new ATOM 0 HD12 ILE A 6 12.021 -14.111 0.246 1.00 10.12 H new ATOM 0 HD13 ILE A 6 12.063 -12.949 -1.102 1.00 10.12 H new ATOM 96 N ARG A 7 9.136 -12.756 3.611 1.00 43.32 N ATOM 97 CA ARG A 7 9.276 -13.198 4.981 1.00 44.44 C ATOM 98 C ARG A 7 10.162 -14.425 5.038 1.00 14.40 C ATOM 99 O ARG A 7 9.864 -15.450 4.409 1.00 73.14 O ATOM 100 CB ARG A 7 7.881 -13.481 5.558 1.00 13.53 C ATOM 101 CG ARG A 7 7.101 -12.160 5.523 1.00 74.33 C ATOM 102 CD ARG A 7 5.647 -12.340 5.974 1.00 62.21 C ATOM 103 NE ARG A 7 4.960 -11.042 5.924 1.00 62.41 N ATOM 104 CZ ARG A 7 4.540 -10.500 4.775 1.00 20.20 C ATOM 105 NH1 ARG A 7 4.709 -11.148 3.658 1.00 41.23 N ATOM 106 NH2 ARG A 7 3.962 -9.331 4.771 1.00 33.44 N ATOM 0 H ARG A 7 8.483 -13.306 3.053 1.00 43.32 H new ATOM 0 HA ARG A 7 9.749 -12.422 5.583 1.00 44.44 H new ATOM 0 HB2 ARG A 7 7.370 -14.245 4.973 1.00 13.53 H new ATOM 0 HB3 ARG A 7 7.955 -13.857 6.578 1.00 13.53 H new ATOM 0 HG2 ARG A 7 7.593 -11.431 6.167 1.00 74.33 H new ATOM 0 HG3 ARG A 7 7.119 -11.755 4.511 1.00 74.33 H new ATOM 0 HD2 ARG A 7 5.140 -13.058 5.329 1.00 62.21 H new ATOM 0 HD3 ARG A 7 5.615 -12.743 6.986 1.00 62.21 H new ATOM 0 HE ARG A 7 4.798 -10.537 6.795 1.00 62.41 H new ATOM 0 HH11 ARG A 7 5.159 -12.063 3.662 1.00 41.23 H new ATOM 0 HH12 ARG A 7 4.391 -10.740 2.779 1.00 41.23 H new ATOM 0 HH21 ARG A 7 3.828 -8.825 5.647 1.00 33.44 H new ATOM 0 HH22 ARG A 7 3.644 -8.922 3.892 1.00 33.44 H new ATOM 120 N LEU A 8 11.273 -14.281 5.741 1.00 14.31 N ATOM 121 CA LEU A 8 12.289 -15.316 5.868 1.00 32.33 C ATOM 122 C LEU A 8 12.350 -15.789 7.312 1.00 71.45 C ATOM 123 O LEU A 8 12.532 -14.980 8.233 1.00 32.14 O ATOM 124 CB LEU A 8 13.658 -14.731 5.434 1.00 51.41 C ATOM 125 CG LEU A 8 14.781 -15.806 5.376 1.00 41.23 C ATOM 126 CD1 LEU A 8 15.507 -15.895 6.719 1.00 43.15 C ATOM 127 CD2 LEU A 8 14.229 -17.177 4.997 1.00 70.54 C ATOM 0 H LEU A 8 11.500 -13.426 6.249 1.00 14.31 H new ATOM 0 HA LEU A 8 12.043 -16.166 5.231 1.00 32.33 H new ATOM 0 HB2 LEU A 8 13.555 -14.266 4.453 1.00 51.41 H new ATOM 0 HB3 LEU A 8 13.949 -13.945 6.130 1.00 51.41 H new ATOM 0 HG LEU A 8 15.486 -15.498 4.604 1.00 41.23 H new ATOM 0 HD11 LEU A 8 16.289 -16.652 6.660 1.00 43.15 H new ATOM 0 HD12 LEU A 8 15.954 -14.929 6.956 1.00 43.15 H new ATOM 0 HD13 LEU A 8 14.796 -16.167 7.499 1.00 43.15 H new ATOM 0 HD21 LEU A 8 15.043 -17.901 4.967 1.00 70.54 H new ATOM 0 HD22 LEU A 8 13.492 -17.490 5.737 1.00 70.54 H new ATOM 0 HD23 LEU A 8 13.757 -17.121 4.016 1.00 70.54 H new ATOM 139 N TRP A 9 12.202 -17.085 7.516 1.00 31.14 N ATOM 140 CA TRP A 9 12.280 -17.645 8.859 1.00 63.14 C ATOM 141 C TRP A 9 13.676 -18.138 9.092 1.00 61.44 C ATOM 142 O TRP A 9 14.285 -18.722 8.191 1.00 73.50 O ATOM 143 CB TRP A 9 11.328 -18.821 9.022 1.00 41.11 C ATOM 144 CG TRP A 9 10.034 -18.546 8.351 1.00 41.10 C ATOM 145 CD1 TRP A 9 9.412 -17.351 8.291 1.00 3.20 C ATOM 146 CD2 TRP A 9 9.207 -19.476 7.622 1.00 21.14 C ATOM 147 NE1 TRP A 9 8.237 -17.501 7.583 1.00 72.32 N ATOM 148 CE2 TRP A 9 8.073 -18.795 7.144 1.00 32.42 C ATOM 149 CE3 TRP A 9 9.333 -20.837 7.340 1.00 61.33 C ATOM 150 CZ2 TRP A 9 7.096 -19.447 6.406 1.00 2.34 C ATOM 151 CZ3 TRP A 9 8.356 -21.500 6.595 1.00 53.55 C ATOM 152 CH2 TRP A 9 7.237 -20.802 6.127 1.00 21.20 C ATOM 0 H TRP A 9 12.028 -17.767 6.778 1.00 31.14 H new ATOM 0 HA TRP A 9 12.007 -16.868 9.573 1.00 63.14 H new ATOM 0 HB2 TRP A 9 11.778 -19.720 8.601 1.00 41.11 H new ATOM 0 HB3 TRP A 9 11.160 -19.015 10.081 1.00 41.11 H new ATOM 0 HD1 TRP A 9 9.773 -16.430 8.725 1.00 3.20 H new ATOM 0 HE1 TRP A 9 7.573 -16.747 7.407 1.00 72.32 H new ATOM 0 HE3 TRP A 9 10.193 -21.382 7.701 1.00 61.33 H new ATOM 0 HZ2 TRP A 9 6.232 -18.906 6.050 1.00 2.34 H new ATOM 0 HZ3 TRP A 9 8.464 -22.553 6.380 1.00 53.55 H new ATOM 0 HH2 TRP A 9 6.483 -21.316 5.549 1.00 21.20 H new ATOM 163 N VAL A 10 14.191 -17.929 10.275 1.00 73.13 N ATOM 164 CA VAL A 10 15.524 -18.383 10.577 1.00 21.41 C ATOM 165 C VAL A 10 15.527 -19.310 11.768 1.00 54.12 C ATOM 166 O VAL A 10 15.114 -18.924 12.874 1.00 12.11 O ATOM 167 CB VAL A 10 16.463 -17.197 10.832 1.00 41.13 C ATOM 168 CG1 VAL A 10 17.916 -17.640 10.625 1.00 72.42 C ATOM 169 CG2 VAL A 10 16.132 -16.045 9.869 1.00 2.31 C ATOM 0 H VAL A 10 13.713 -17.452 11.040 1.00 73.13 H new ATOM 0 HA VAL A 10 15.886 -18.935 9.710 1.00 21.41 H new ATOM 0 HB VAL A 10 16.330 -16.851 11.857 1.00 41.13 H new ATOM 0 HG11 VAL A 10 18.583 -16.797 10.806 1.00 72.42 H new ATOM 0 HG12 VAL A 10 18.153 -18.446 11.319 1.00 72.42 H new ATOM 0 HG13 VAL A 10 18.047 -17.992 9.602 1.00 72.42 H new ATOM 0 HG21 VAL A 10 16.804 -15.208 10.058 1.00 2.31 H new ATOM 0 HG22 VAL A 10 16.255 -16.384 8.840 1.00 2.31 H new ATOM 0 HG23 VAL A 10 15.102 -15.725 10.025 1.00 2.31 H new ATOM 179 N SER A 11 16.116 -20.470 11.579 1.00 71.44 N ATOM 180 CA SER A 11 16.343 -21.386 12.667 1.00 32.15 C ATOM 181 C SER A 11 17.729 -21.114 13.214 1.00 55.14 C ATOM 182 O SER A 11 18.710 -21.130 12.461 1.00 33.30 O ATOM 183 CB SER A 11 16.245 -22.827 12.170 1.00 73.42 C ATOM 184 OG SER A 11 15.088 -22.964 11.337 1.00 53.13 O ATOM 0 H SER A 11 16.448 -20.800 10.673 1.00 71.44 H new ATOM 0 HA SER A 11 15.593 -21.248 13.446 1.00 32.15 H new ATOM 0 HB2 SER A 11 17.143 -23.093 11.612 1.00 73.42 H new ATOM 0 HB3 SER A 11 16.181 -23.512 13.016 1.00 73.42 H new ATOM 0 HG SER A 11 15.024 -23.888 11.015 1.00 53.13 H new ATOM 190 N VAL A 12 17.800 -20.747 14.471 1.00 44.50 N ATOM 191 CA VAL A 12 19.053 -20.346 15.069 1.00 65.33 C ATOM 192 C VAL A 12 19.524 -21.401 16.041 1.00 31.54 C ATOM 193 O VAL A 12 18.805 -21.746 16.981 1.00 45.10 O ATOM 194 CB VAL A 12 18.869 -19.008 15.810 1.00 22.42 C ATOM 195 CG1 VAL A 12 20.224 -18.328 16.010 1.00 53.10 C ATOM 196 CG2 VAL A 12 17.949 -18.082 14.999 1.00 44.14 C ATOM 0 H VAL A 12 17.000 -20.717 15.104 1.00 44.50 H new ATOM 0 HA VAL A 12 19.799 -20.227 14.283 1.00 65.33 H new ATOM 0 HB VAL A 12 18.418 -19.206 16.783 1.00 22.42 H new ATOM 0 HG11 VAL A 12 20.083 -17.383 16.535 1.00 53.10 H new ATOM 0 HG12 VAL A 12 20.873 -18.976 16.598 1.00 53.10 H new ATOM 0 HG13 VAL A 12 20.683 -18.139 15.040 1.00 53.10 H new ATOM 0 HG21 VAL A 12 17.824 -17.138 15.529 1.00 44.14 H new ATOM 0 HG22 VAL A 12 18.393 -17.893 14.022 1.00 44.14 H new ATOM 0 HG23 VAL A 12 16.977 -18.557 14.870 1.00 44.14 H new ATOM 206 N GLU A 13 20.736 -21.881 15.847 1.00 65.32 N ATOM 207 CA GLU A 13 21.307 -22.855 16.754 1.00 15.40 C ATOM 208 C GLU A 13 22.623 -22.370 17.331 1.00 23.23 C ATOM 209 O GLU A 13 23.517 -21.937 16.597 1.00 42.34 O ATOM 210 CB GLU A 13 21.483 -24.213 16.072 1.00 20.03 C ATOM 211 CG GLU A 13 20.098 -24.816 15.762 1.00 1.01 C ATOM 212 CD GLU A 13 20.226 -26.201 15.158 1.00 64.42 C ATOM 213 OE1 GLU A 13 21.331 -26.683 15.044 1.00 34.31 O ATOM 214 OE2 GLU A 13 19.220 -26.768 14.826 1.00 14.21 O ATOM 0 H GLU A 13 21.343 -21.613 15.072 1.00 65.32 H new ATOM 0 HA GLU A 13 20.605 -22.980 17.579 1.00 15.40 H new ATOM 0 HB2 GLU A 13 22.056 -24.098 15.152 1.00 20.03 H new ATOM 0 HB3 GLU A 13 22.048 -24.886 16.717 1.00 20.03 H new ATOM 0 HG2 GLU A 13 19.508 -24.869 16.677 1.00 1.01 H new ATOM 0 HG3 GLU A 13 19.560 -24.164 15.073 1.00 1.01 H new ATOM 221 N ASP A 14 22.734 -22.444 18.643 1.00 22.33 N ATOM 222 CA ASP A 14 23.938 -22.029 19.346 1.00 31.53 C ATOM 223 C ASP A 14 24.951 -23.148 19.397 1.00 2.03 C ATOM 224 O ASP A 14 24.588 -24.336 19.391 1.00 12.43 O ATOM 225 CB ASP A 14 23.608 -21.581 20.772 1.00 1.42 C ATOM 226 CG ASP A 14 24.799 -20.878 21.389 1.00 22.13 C ATOM 227 OD1 ASP A 14 25.728 -21.552 21.768 1.00 24.52 O ATOM 228 OD2 ASP A 14 24.768 -19.675 21.473 1.00 34.20 O ATOM 0 H ASP A 14 21.995 -22.793 19.253 1.00 22.33 H new ATOM 0 HA ASP A 14 24.364 -21.190 18.795 1.00 31.53 H new ATOM 0 HB2 ASP A 14 22.748 -20.912 20.761 1.00 1.42 H new ATOM 0 HB3 ASP A 14 23.332 -22.444 21.378 1.00 1.42 H new ATOM 233 N ALA A 15 26.197 -22.775 19.595 1.00 64.23 N ATOM 234 CA ALA A 15 27.262 -23.730 19.805 1.00 62.10 C ATOM 235 C ALA A 15 26.903 -24.616 20.976 1.00 0.30 C ATOM 236 O ALA A 15 27.110 -25.828 20.947 1.00 4.10 O ATOM 237 CB ALA A 15 28.562 -22.986 20.121 1.00 72.21 C ATOM 0 H ALA A 15 26.500 -21.801 19.615 1.00 64.23 H new ATOM 0 HA ALA A 15 27.396 -24.332 18.907 1.00 62.10 H new ATOM 0 HB1 ALA A 15 29.364 -23.707 20.279 1.00 72.21 H new ATOM 0 HB2 ALA A 15 28.820 -22.333 19.287 1.00 72.21 H new ATOM 0 HB3 ALA A 15 28.429 -22.388 21.022 1.00 72.21 H new ATOM 243 N GLN A 16 26.291 -24.007 21.972 1.00 3.31 N ATOM 244 CA GLN A 16 25.836 -24.707 23.164 1.00 70.51 C ATOM 245 C GLN A 16 24.619 -25.574 22.856 1.00 44.44 C ATOM 246 O GLN A 16 24.001 -26.144 23.766 1.00 43.52 O ATOM 247 CB GLN A 16 25.517 -23.686 24.256 1.00 25.04 C ATOM 248 CG GLN A 16 26.826 -23.016 24.693 1.00 60.51 C ATOM 249 CD GLN A 16 26.591 -21.544 24.969 1.00 52.33 C ATOM 250 OE1 GLN A 16 26.384 -21.142 26.116 1.00 42.31 O ATOM 251 NE2 GLN A 16 26.589 -20.715 23.984 1.00 32.13 N ATOM 0 H GLN A 16 26.093 -23.007 21.980 1.00 3.31 H new ATOM 0 HA GLN A 16 26.628 -25.370 23.514 1.00 70.51 H new ATOM 0 HB2 GLN A 16 24.815 -22.940 23.883 1.00 25.04 H new ATOM 0 HB3 GLN A 16 25.040 -24.176 25.105 1.00 25.04 H new ATOM 0 HG2 GLN A 16 27.213 -23.504 25.587 1.00 60.51 H new ATOM 0 HG3 GLN A 16 27.580 -23.132 23.915 1.00 60.51 H new ATOM 0 HE21 GLN A 16 26.760 -21.049 23.036 1.00 32.13 H new ATOM 0 HE22 GLN A 16 26.416 -19.724 24.152 1.00 32.13 H new ATOM 260 N MET A 17 24.284 -25.673 21.576 1.00 5.31 N ATOM 261 CA MET A 17 23.162 -26.477 21.102 1.00 12.12 C ATOM 262 C MET A 17 21.825 -25.855 21.482 1.00 54.32 C ATOM 263 O MET A 17 20.784 -26.511 21.402 1.00 30.13 O ATOM 264 CB MET A 17 23.246 -27.929 21.607 1.00 21.12 C ATOM 265 CG MET A 17 24.442 -28.638 20.966 1.00 2.23 C ATOM 266 SD MET A 17 24.562 -30.312 21.644 1.00 25.23 S ATOM 267 CE MET A 17 23.074 -30.991 20.864 1.00 74.04 C ATOM 0 H MET A 17 24.787 -25.193 20.830 1.00 5.31 H new ATOM 0 HA MET A 17 23.228 -26.497 20.014 1.00 12.12 H new ATOM 0 HB2 MET A 17 23.345 -27.940 22.692 1.00 21.12 H new ATOM 0 HB3 MET A 17 22.326 -28.461 21.366 1.00 21.12 H new ATOM 0 HG2 MET A 17 24.321 -28.677 19.883 1.00 2.23 H new ATOM 0 HG3 MET A 17 25.360 -28.084 21.164 1.00 2.23 H new ATOM 0 HE1 MET A 17 23.189 -32.067 20.736 1.00 74.04 H new ATOM 0 HE2 MET A 17 22.209 -30.791 21.496 1.00 74.04 H new ATOM 0 HE3 MET A 17 22.928 -30.524 19.890 1.00 74.04 H new ATOM 277 N HIS A 18 21.838 -24.564 21.786 1.00 43.51 N ATOM 278 CA HIS A 18 20.604 -23.840 22.047 1.00 22.43 C ATOM 279 C HIS A 18 19.960 -23.476 20.712 1.00 34.12 C ATOM 280 O HIS A 18 20.647 -23.013 19.804 1.00 31.44 O ATOM 281 CB HIS A 18 20.885 -22.584 22.893 1.00 70.50 C ATOM 282 CG HIS A 18 19.660 -21.715 22.979 1.00 40.41 C ATOM 283 ND1 HIS A 18 19.733 -20.333 22.893 1.00 0.13 N ATOM 284 CD2 HIS A 18 18.331 -22.013 23.149 1.00 21.11 C ATOM 285 CE1 HIS A 18 18.479 -19.852 23.009 1.00 21.41 C ATOM 286 NE2 HIS A 18 17.585 -20.836 23.168 1.00 74.45 N ATOM 0 H HIS A 18 22.685 -24.000 21.857 1.00 43.51 H new ATOM 0 HA HIS A 18 19.918 -24.467 22.616 1.00 22.43 H new ATOM 0 HB2 HIS A 18 21.200 -22.877 23.895 1.00 70.50 H new ATOM 0 HB3 HIS A 18 21.707 -22.020 22.453 1.00 70.50 H new ATOM 0 HD2 HIS A 18 17.925 -23.008 23.252 1.00 21.11 H new ATOM 0 HE1 HIS A 18 18.227 -18.802 22.978 1.00 21.41 H new ATOM 0 HE2 HIS A 18 16.575 -20.744 23.279 1.00 74.45 H new ATOM 295 N THR A 19 18.690 -23.817 20.551 1.00 71.41 N ATOM 296 CA THR A 19 18.006 -23.651 19.274 1.00 41.11 C ATOM 297 C THR A 19 16.892 -22.610 19.377 1.00 2.13 C ATOM 298 O THR A 19 16.022 -22.707 20.249 1.00 64.45 O ATOM 299 CB THR A 19 17.428 -25.004 18.838 1.00 2.14 C ATOM 300 OG1 THR A 19 18.489 -25.969 18.761 1.00 11.24 O ATOM 301 CG2 THR A 19 16.747 -24.874 17.466 1.00 20.53 C ATOM 0 H THR A 19 18.109 -24.212 21.291 1.00 71.41 H new ATOM 0 HA THR A 19 18.722 -23.297 18.532 1.00 41.11 H new ATOM 0 HB THR A 19 16.687 -25.329 19.568 1.00 2.14 H new ATOM 0 HG1 THR A 19 18.124 -26.835 18.484 1.00 11.24 H new ATOM 0 HG21 THR A 19 16.341 -25.841 17.168 1.00 20.53 H new ATOM 0 HG22 THR A 19 15.939 -24.145 17.528 1.00 20.53 H new ATOM 0 HG23 THR A 19 17.477 -24.544 16.727 1.00 20.53 H new ATOM 309 N VAL A 20 16.911 -21.632 18.485 1.00 62.44 N ATOM 310 CA VAL A 20 15.899 -20.577 18.477 1.00 2.05 C ATOM 311 C VAL A 20 15.362 -20.363 17.061 1.00 1.51 C ATOM 312 O VAL A 20 16.021 -20.707 16.085 1.00 15.42 O ATOM 313 CB VAL A 20 16.504 -19.267 19.015 1.00 22.23 C ATOM 314 CG1 VAL A 20 15.397 -18.327 19.492 1.00 41.33 C ATOM 315 CG2 VAL A 20 17.448 -19.571 20.182 1.00 52.53 C ATOM 0 H VAL A 20 17.616 -21.543 17.754 1.00 62.44 H new ATOM 0 HA VAL A 20 15.073 -20.880 19.120 1.00 2.05 H new ATOM 0 HB VAL A 20 17.060 -18.785 18.211 1.00 22.23 H new ATOM 0 HG11 VAL A 20 15.840 -17.405 19.870 1.00 41.33 H new ATOM 0 HG12 VAL A 20 14.732 -18.096 18.660 1.00 41.33 H new ATOM 0 HG13 VAL A 20 14.828 -18.809 20.287 1.00 41.33 H new ATOM 0 HG21 VAL A 20 17.873 -18.640 20.558 1.00 52.53 H new ATOM 0 HG22 VAL A 20 16.893 -20.065 20.980 1.00 52.53 H new ATOM 0 HG23 VAL A 20 18.251 -20.224 19.840 1.00 52.53 H new ATOM 325 N THR A 21 14.180 -19.784 16.961 1.00 63.53 N ATOM 326 CA THR A 21 13.566 -19.492 15.672 1.00 44.25 C ATOM 327 C THR A 21 13.200 -18.019 15.593 1.00 12.41 C ATOM 328 O THR A 21 12.534 -17.493 16.491 1.00 11.33 O ATOM 329 CB THR A 21 12.300 -20.341 15.493 1.00 65.22 C ATOM 330 OG1 THR A 21 12.634 -21.718 15.604 1.00 25.54 O ATOM 331 CG2 THR A 21 11.680 -20.074 14.117 1.00 10.42 C ATOM 0 H THR A 21 13.618 -19.503 17.764 1.00 63.53 H new ATOM 0 HA THR A 21 14.278 -19.730 14.881 1.00 44.25 H new ATOM 0 HB THR A 21 11.579 -20.075 16.266 1.00 65.22 H new ATOM 0 HG1 THR A 21 11.826 -22.261 15.492 1.00 25.54 H new ATOM 0 HG21 THR A 21 10.782 -20.681 13.999 1.00 10.42 H new ATOM 0 HG22 THR A 21 11.419 -19.019 14.034 1.00 10.42 H new ATOM 0 HG23 THR A 21 12.398 -20.332 13.338 1.00 10.42 H new ATOM 339 N ILE A 22 13.585 -17.366 14.509 1.00 41.12 N ATOM 340 CA ILE A 22 13.194 -15.980 14.300 1.00 63.41 C ATOM 341 C ILE A 22 12.604 -15.797 12.906 1.00 15.43 C ATOM 342 O ILE A 22 12.944 -16.540 11.968 1.00 50.41 O ATOM 343 CB ILE A 22 14.375 -15.024 14.538 1.00 35.34 C ATOM 344 CG1 ILE A 22 15.503 -15.313 13.547 1.00 65.05 C ATOM 345 CG2 ILE A 22 14.896 -15.191 15.968 1.00 31.40 C ATOM 346 CD1 ILE A 22 16.596 -14.255 13.697 1.00 75.44 C ATOM 0 H ILE A 22 14.161 -17.766 13.768 1.00 41.12 H new ATOM 0 HA ILE A 22 12.424 -15.730 15.030 1.00 63.41 H new ATOM 0 HB ILE A 22 14.030 -14.000 14.392 1.00 35.34 H new ATOM 0 HG12 ILE A 22 15.915 -16.306 13.728 1.00 65.05 H new ATOM 0 HG13 ILE A 22 15.116 -15.310 12.528 1.00 65.05 H new ATOM 0 HG21 ILE A 22 15.733 -14.512 16.132 1.00 31.40 H new ATOM 0 HG22 ILE A 22 14.099 -14.962 16.675 1.00 31.40 H new ATOM 0 HG23 ILE A 22 15.228 -16.218 16.117 1.00 31.40 H new ATOM 0 HD11 ILE A 22 17.401 -14.460 12.991 1.00 75.44 H new ATOM 0 HD12 ILE A 22 16.178 -13.269 13.494 1.00 75.44 H new ATOM 0 HD13 ILE A 22 16.990 -14.280 14.713 1.00 75.44 H new ATOM 358 N TRP A 23 11.749 -14.799 12.768 1.00 51.20 N ATOM 359 CA TRP A 23 11.124 -14.480 11.496 1.00 45.54 C ATOM 360 C TRP A 23 11.631 -13.138 11.012 1.00 3.15 C ATOM 361 O TRP A 23 11.570 -12.144 11.752 1.00 71.12 O ATOM 362 CB TRP A 23 9.596 -14.433 11.661 1.00 14.21 C ATOM 363 CG TRP A 23 9.083 -15.797 12.010 1.00 32.22 C ATOM 364 CD1 TRP A 23 8.427 -16.622 11.162 1.00 44.21 C ATOM 365 CD2 TRP A 23 9.168 -16.509 13.279 1.00 53.12 C ATOM 366 NE1 TRP A 23 8.120 -17.795 11.828 1.00 24.00 N ATOM 367 CE2 TRP A 23 8.553 -17.772 13.132 1.00 64.15 C ATOM 368 CE3 TRP A 23 9.717 -16.184 14.530 1.00 72.44 C ATOM 369 CZ2 TRP A 23 8.486 -18.676 14.184 1.00 24.32 C ATOM 370 CZ3 TRP A 23 9.649 -17.095 15.595 1.00 74.51 C ATOM 371 CH2 TRP A 23 9.034 -18.339 15.421 1.00 12.23 C ATOM 0 H TRP A 23 11.468 -14.187 13.534 1.00 51.20 H new ATOM 0 HA TRP A 23 11.376 -15.248 10.765 1.00 45.54 H new ATOM 0 HB2 TRP A 23 9.327 -13.722 12.442 1.00 14.21 H new ATOM 0 HB3 TRP A 23 9.132 -14.084 10.739 1.00 14.21 H new ATOM 0 HD1 TRP A 23 8.183 -16.401 10.133 1.00 44.21 H new ATOM 0 HE1 TRP A 23 7.631 -18.582 11.402 1.00 24.00 H new ATOM 0 HE3 TRP A 23 10.195 -15.226 14.673 1.00 72.44 H new ATOM 0 HZ2 TRP A 23 8.011 -19.636 14.045 1.00 24.32 H new ATOM 0 HZ3 TRP A 23 10.073 -16.834 16.553 1.00 74.51 H new ATOM 0 HH2 TRP A 23 8.984 -19.037 16.243 1.00 12.23 H new ATOM 382 N LEU A 24 12.153 -13.102 9.798 1.00 44.10 N ATOM 383 CA LEU A 24 12.686 -11.864 9.248 1.00 40.20 C ATOM 384 C LEU A 24 11.927 -11.446 8.007 1.00 52.40 C ATOM 385 O LEU A 24 11.653 -12.266 7.125 1.00 21.24 O ATOM 386 CB LEU A 24 14.179 -12.008 8.932 1.00 70.54 C ATOM 387 CG LEU A 24 14.945 -12.436 10.200 1.00 40.03 C ATOM 388 CD1 LEU A 24 16.417 -12.624 9.873 1.00 42.21 C ATOM 389 CD2 LEU A 24 14.821 -11.360 11.280 1.00 21.54 C ATOM 0 H LEU A 24 12.220 -13.908 9.177 1.00 44.10 H new ATOM 0 HA LEU A 24 12.562 -11.087 10.002 1.00 40.20 H new ATOM 0 HB2 LEU A 24 14.323 -12.746 8.143 1.00 70.54 H new ATOM 0 HB3 LEU A 24 14.574 -11.063 8.560 1.00 70.54 H new ATOM 0 HG LEU A 24 14.518 -13.372 10.562 1.00 40.03 H new ATOM 0 HD11 LEU A 24 16.954 -12.926 10.772 1.00 42.21 H new ATOM 0 HD12 LEU A 24 16.525 -13.395 9.110 1.00 42.21 H new ATOM 0 HD13 LEU A 24 16.830 -11.686 9.502 1.00 42.21 H new ATOM 0 HD21 LEU A 24 15.366 -11.674 12.170 1.00 21.54 H new ATOM 0 HD22 LEU A 24 15.238 -10.423 10.910 1.00 21.54 H new ATOM 0 HD23 LEU A 24 13.770 -11.215 11.530 1.00 21.54 H new ATOM 401 N THR A 25 11.641 -10.167 7.911 1.00 32.11 N ATOM 402 CA THR A 25 10.982 -9.619 6.752 1.00 20.03 C ATOM 403 C THR A 25 12.017 -8.861 5.937 1.00 15.11 C ATOM 404 O THR A 25 12.653 -7.929 6.440 1.00 30.42 O ATOM 405 CB THR A 25 9.859 -8.681 7.213 1.00 11.33 C ATOM 406 OG1 THR A 25 9.343 -9.153 8.467 1.00 74.12 O ATOM 407 CG2 THR A 25 8.737 -8.664 6.170 1.00 51.01 C ATOM 0 H THR A 25 11.859 -9.481 8.633 1.00 32.11 H new ATOM 0 HA THR A 25 10.544 -10.407 6.139 1.00 20.03 H new ATOM 0 HB THR A 25 10.250 -7.670 7.330 1.00 11.33 H new ATOM 0 HG1 THR A 25 8.626 -8.558 8.770 1.00 74.12 H new ATOM 0 HG21 THR A 25 7.942 -7.996 6.502 1.00 51.01 H new ATOM 0 HG22 THR A 25 9.132 -8.312 5.217 1.00 51.01 H new ATOM 0 HG23 THR A 25 8.338 -9.671 6.048 1.00 51.01 H new ATOM 415 N VAL A 26 12.279 -9.346 4.740 1.00 24.42 N ATOM 416 CA VAL A 26 13.340 -8.809 3.907 1.00 0.53 C ATOM 417 C VAL A 26 12.945 -8.883 2.454 1.00 14.44 C ATOM 418 O VAL A 26 12.068 -9.647 2.102 1.00 61.52 O ATOM 419 CB VAL A 26 14.624 -9.613 4.131 1.00 60.45 C ATOM 420 CG1 VAL A 26 15.080 -9.476 5.583 1.00 14.20 C ATOM 421 CG2 VAL A 26 14.371 -11.089 3.827 1.00 64.00 C ATOM 0 H VAL A 26 11.766 -10.120 4.317 1.00 24.42 H new ATOM 0 HA VAL A 26 13.510 -7.767 4.176 1.00 0.53 H new ATOM 0 HB VAL A 26 15.398 -9.228 3.467 1.00 60.45 H new ATOM 0 HG11 VAL A 26 15.994 -10.051 5.733 1.00 14.20 H new ATOM 0 HG12 VAL A 26 15.271 -8.426 5.807 1.00 14.20 H new ATOM 0 HG13 VAL A 26 14.301 -9.853 6.246 1.00 14.20 H new ATOM 0 HG21 VAL A 26 15.288 -11.656 3.988 1.00 64.00 H new ATOM 0 HG22 VAL A 26 13.590 -11.468 4.486 1.00 64.00 H new ATOM 0 HG23 VAL A 26 14.055 -11.198 2.790 1.00 64.00 H new ATOM 431 N ARG A 27 13.696 -8.231 1.599 1.00 33.21 N ATOM 432 CA ARG A 27 13.500 -8.406 0.167 1.00 4.21 C ATOM 433 C ARG A 27 14.617 -9.279 -0.377 1.00 3.32 C ATOM 434 O ARG A 27 15.735 -9.244 0.143 1.00 72.11 O ATOM 435 CB ARG A 27 13.452 -7.050 -0.576 1.00 30.33 C ATOM 436 CG ARG A 27 14.536 -6.098 -0.054 1.00 13.41 C ATOM 437 CD ARG A 27 14.026 -5.352 1.188 1.00 0.42 C ATOM 438 NE ARG A 27 15.140 -4.872 2.005 1.00 5.44 N ATOM 439 CZ ARG A 27 15.072 -4.792 3.343 1.00 52.45 C ATOM 440 NH1 ARG A 27 13.977 -5.141 3.975 1.00 55.30 N ATOM 441 NH2 ARG A 27 16.099 -4.349 4.014 1.00 23.52 N ATOM 0 H ARG A 27 14.440 -7.582 1.857 1.00 33.21 H new ATOM 0 HA ARG A 27 12.538 -8.890 0.001 1.00 4.21 H new ATOM 0 HB2 ARG A 27 13.590 -7.212 -1.645 1.00 30.33 H new ATOM 0 HB3 ARG A 27 12.470 -6.595 -0.446 1.00 30.33 H new ATOM 0 HG2 ARG A 27 15.437 -6.660 0.193 1.00 13.41 H new ATOM 0 HG3 ARG A 27 14.809 -5.384 -0.831 1.00 13.41 H new ATOM 0 HD2 ARG A 27 13.406 -4.510 0.882 1.00 0.42 H new ATOM 0 HD3 ARG A 27 13.395 -6.014 1.781 1.00 0.42 H new ATOM 0 HE ARG A 27 16.002 -4.587 1.540 1.00 5.44 H new ATOM 0 HH11 ARG A 27 13.170 -5.476 3.449 1.00 55.30 H new ATOM 0 HH12 ARG A 27 13.933 -5.077 4.992 1.00 55.30 H new ATOM 0 HH21 ARG A 27 16.946 -4.066 3.522 1.00 23.52 H new ATOM 0 HH22 ARG A 27 16.055 -4.285 5.031 1.00 23.52 H new ATOM 455 N PRO A 28 14.378 -10.003 -1.440 1.00 70.42 N ATOM 456 CA PRO A 28 15.424 -10.881 -2.060 1.00 2.44 C ATOM 457 C PRO A 28 16.643 -10.057 -2.408 1.00 10.52 C ATOM 458 O PRO A 28 17.766 -10.575 -2.523 1.00 73.22 O ATOM 459 CB PRO A 28 14.745 -11.394 -3.334 1.00 63.31 C ATOM 460 CG PRO A 28 13.287 -11.327 -3.033 1.00 53.01 C ATOM 461 CD PRO A 28 13.100 -10.078 -2.173 1.00 50.41 C ATOM 0 HA PRO A 28 15.762 -11.684 -1.405 1.00 2.44 H new ATOM 0 HB2 PRO A 28 15.001 -10.778 -4.196 1.00 63.31 H new ATOM 0 HB3 PRO A 28 15.056 -12.412 -3.567 1.00 63.31 H new ATOM 0 HG2 PRO A 28 12.700 -11.263 -3.949 1.00 53.01 H new ATOM 0 HG3 PRO A 28 12.955 -12.220 -2.504 1.00 53.01 H new ATOM 0 HD2 PRO A 28 12.927 -9.189 -2.780 1.00 50.41 H new ATOM 0 HD3 PRO A 28 12.250 -10.173 -1.498 1.00 50.41 H new ATOM 469 N ASP A 29 16.403 -8.768 -2.566 1.00 21.24 N ATOM 470 CA ASP A 29 17.424 -7.800 -2.885 1.00 42.34 C ATOM 471 C ASP A 29 18.392 -7.643 -1.718 1.00 22.22 C ATOM 472 O ASP A 29 19.497 -7.119 -1.884 1.00 73.13 O ATOM 473 CB ASP A 29 16.759 -6.458 -3.178 1.00 0.01 C ATOM 474 CG ASP A 29 15.880 -6.571 -4.410 1.00 62.22 C ATOM 475 OD1 ASP A 29 16.406 -6.533 -5.496 1.00 21.43 O ATOM 476 OD2 ASP A 29 14.683 -6.679 -4.252 1.00 43.24 O ATOM 0 H ASP A 29 15.472 -8.362 -2.473 1.00 21.24 H new ATOM 0 HA ASP A 29 17.982 -8.142 -3.757 1.00 42.34 H new ATOM 0 HB2 ASP A 29 16.161 -6.145 -2.322 1.00 0.01 H new ATOM 0 HB3 ASP A 29 17.519 -5.692 -3.333 1.00 0.01 H new ATOM 481 N MET A 30 17.978 -8.090 -0.535 1.00 31.25 N ATOM 482 CA MET A 30 18.845 -8.015 0.639 1.00 25.12 C ATOM 483 C MET A 30 19.986 -8.987 0.546 1.00 64.13 C ATOM 484 O MET A 30 19.986 -9.886 -0.303 1.00 62.13 O ATOM 485 CB MET A 30 18.087 -8.241 1.944 1.00 2.42 C ATOM 486 CG MET A 30 17.342 -6.976 2.335 1.00 11.34 C ATOM 487 SD MET A 30 16.427 -7.263 3.862 1.00 52.43 S ATOM 488 CE MET A 30 17.854 -7.510 4.955 1.00 61.23 C ATOM 0 H MET A 30 17.061 -8.503 -0.364 1.00 31.25 H new ATOM 0 HA MET A 30 19.241 -7.000 0.651 1.00 25.12 H new ATOM 0 HB2 MET A 30 17.384 -9.066 1.828 1.00 2.42 H new ATOM 0 HB3 MET A 30 18.782 -8.523 2.735 1.00 2.42 H new ATOM 0 HG2 MET A 30 18.045 -6.154 2.469 1.00 11.34 H new ATOM 0 HG3 MET A 30 16.658 -6.683 1.538 1.00 11.34 H new ATOM 0 HE1 MET A 30 17.663 -8.354 5.618 1.00 61.23 H new ATOM 0 HE2 MET A 30 18.741 -7.714 4.355 1.00 61.23 H new ATOM 0 HE3 MET A 30 18.017 -6.611 5.549 1.00 61.23 H new ATOM 498 N THR A 31 20.946 -8.827 1.437 1.00 12.23 N ATOM 499 CA THR A 31 22.097 -9.685 1.472 1.00 31.41 C ATOM 500 C THR A 31 22.298 -10.246 2.873 1.00 44.04 C ATOM 501 O THR A 31 21.750 -9.709 3.853 1.00 12.01 O ATOM 502 CB THR A 31 23.350 -8.937 0.959 1.00 25.42 C ATOM 503 OG1 THR A 31 24.389 -9.856 0.720 1.00 20.13 O ATOM 504 CG2 THR A 31 23.830 -7.910 1.980 1.00 40.23 C ATOM 0 H THR A 31 20.943 -8.099 2.151 1.00 12.23 H new ATOM 0 HA THR A 31 21.930 -10.530 0.803 1.00 31.41 H new ATOM 0 HB THR A 31 23.081 -8.423 0.036 1.00 25.42 H new ATOM 0 HG1 THR A 31 24.073 -10.764 0.910 1.00 20.13 H new ATOM 0 HG21 THR A 31 24.712 -7.398 1.594 1.00 40.23 H new ATOM 0 HG22 THR A 31 23.039 -7.182 2.163 1.00 40.23 H new ATOM 0 HG23 THR A 31 24.082 -8.415 2.913 1.00 40.23 H new ATOM 512 N VAL A 32 23.055 -11.329 2.969 1.00 60.15 N ATOM 513 CA VAL A 32 23.270 -11.995 4.240 1.00 10.31 C ATOM 514 C VAL A 32 23.906 -11.036 5.222 1.00 54.12 C ATOM 515 O VAL A 32 23.445 -10.907 6.360 1.00 54.33 O ATOM 516 CB VAL A 32 24.150 -13.246 4.052 1.00 44.23 C ATOM 517 CG1 VAL A 32 24.482 -13.878 5.412 1.00 71.12 C ATOM 518 CG2 VAL A 32 23.416 -14.266 3.176 1.00 24.05 C ATOM 0 H VAL A 32 23.531 -11.764 2.179 1.00 60.15 H new ATOM 0 HA VAL A 32 22.307 -12.316 4.638 1.00 10.31 H new ATOM 0 HB VAL A 32 25.080 -12.950 3.566 1.00 44.23 H new ATOM 0 HG11 VAL A 32 25.104 -14.760 5.261 1.00 71.12 H new ATOM 0 HG12 VAL A 32 25.019 -13.156 6.027 1.00 71.12 H new ATOM 0 HG13 VAL A 32 23.559 -14.167 5.914 1.00 71.12 H new ATOM 0 HG21 VAL A 32 24.041 -15.149 3.045 1.00 24.05 H new ATOM 0 HG22 VAL A 32 22.480 -14.551 3.656 1.00 24.05 H new ATOM 0 HG23 VAL A 32 23.204 -13.824 2.203 1.00 24.05 H new ATOM 528 N ALA A 33 24.904 -10.306 4.766 1.00 53.45 N ATOM 529 CA ALA A 33 25.549 -9.319 5.615 1.00 55.04 C ATOM 530 C ALA A 33 24.512 -8.373 6.202 1.00 52.23 C ATOM 531 O ALA A 33 24.451 -8.185 7.412 1.00 54.14 O ATOM 532 CB ALA A 33 26.587 -8.511 4.822 1.00 50.32 C ATOM 0 H ALA A 33 25.285 -10.374 3.822 1.00 53.45 H new ATOM 0 HA ALA A 33 26.057 -9.848 6.422 1.00 55.04 H new ATOM 0 HB1 ALA A 33 27.057 -7.778 5.478 1.00 50.32 H new ATOM 0 HB2 ALA A 33 27.348 -9.184 4.427 1.00 50.32 H new ATOM 0 HB3 ALA A 33 26.094 -7.996 3.997 1.00 50.32 H new ATOM 538 N SER A 34 23.659 -7.828 5.347 1.00 20.42 N ATOM 539 CA SER A 34 22.608 -6.952 5.819 1.00 42.23 C ATOM 540 C SER A 34 21.641 -7.705 6.712 1.00 51.41 C ATOM 541 O SER A 34 21.233 -7.214 7.760 1.00 74.05 O ATOM 542 CB SER A 34 21.864 -6.298 4.641 1.00 22.13 C ATOM 543 OG SER A 34 21.382 -7.297 3.718 1.00 22.31 O ATOM 0 H SER A 34 23.676 -7.976 4.338 1.00 20.42 H new ATOM 0 HA SER A 34 23.070 -6.159 6.407 1.00 42.23 H new ATOM 0 HB2 SER A 34 21.027 -5.710 5.016 1.00 22.13 H new ATOM 0 HB3 SER A 34 22.531 -5.609 4.122 1.00 22.13 H new ATOM 0 HG SER A 34 21.717 -8.178 3.985 1.00 22.31 H new ATOM 549 N LEU A 35 21.298 -8.914 6.296 1.00 42.51 N ATOM 550 CA LEU A 35 20.363 -9.738 7.038 1.00 60.21 C ATOM 551 C LEU A 35 20.910 -10.075 8.410 1.00 12.50 C ATOM 552 O LEU A 35 20.223 -9.889 9.418 1.00 51.11 O ATOM 553 CB LEU A 35 20.070 -11.021 6.246 1.00 20.44 C ATOM 554 CG LEU A 35 19.109 -11.932 7.019 1.00 63.51 C ATOM 555 CD1 LEU A 35 17.819 -11.183 7.332 1.00 4.13 C ATOM 556 CD2 LEU A 35 18.779 -13.156 6.164 1.00 72.44 C ATOM 0 H LEU A 35 21.656 -9.346 5.444 1.00 42.51 H new ATOM 0 HA LEU A 35 19.436 -9.181 7.176 1.00 60.21 H new ATOM 0 HB2 LEU A 35 19.637 -10.766 5.279 1.00 20.44 H new ATOM 0 HB3 LEU A 35 21.001 -11.552 6.048 1.00 20.44 H new ATOM 0 HG LEU A 35 19.582 -12.242 7.951 1.00 63.51 H new ATOM 0 HD11 LEU A 35 17.142 -11.838 7.881 1.00 4.13 H new ATOM 0 HD12 LEU A 35 18.046 -10.305 7.937 1.00 4.13 H new ATOM 0 HD13 LEU A 35 17.345 -10.870 6.402 1.00 4.13 H new ATOM 0 HD21 LEU A 35 18.096 -13.807 6.709 1.00 72.44 H new ATOM 0 HD22 LEU A 35 18.310 -12.835 5.234 1.00 72.44 H new ATOM 0 HD23 LEU A 35 19.696 -13.700 5.938 1.00 72.44 H new ATOM 568 N LYS A 36 22.165 -10.498 8.461 1.00 34.21 N ATOM 569 CA LYS A 36 22.782 -10.796 9.736 1.00 44.21 C ATOM 570 C LYS A 36 22.926 -9.521 10.545 1.00 31.00 C ATOM 571 O LYS A 36 22.754 -9.513 11.772 1.00 33.33 O ATOM 572 CB LYS A 36 24.135 -11.530 9.564 1.00 43.15 C ATOM 573 CG LYS A 36 25.264 -10.563 9.182 1.00 4.03 C ATOM 574 CD LYS A 36 26.585 -11.347 9.128 1.00 65.42 C ATOM 575 CE LYS A 36 27.744 -10.408 8.770 1.00 65.21 C ATOM 576 NZ LYS A 36 29.023 -11.161 8.804 1.00 35.45 N ATOM 0 H LYS A 36 22.763 -10.639 7.647 1.00 34.21 H new ATOM 0 HA LYS A 36 22.134 -11.480 10.284 1.00 44.21 H new ATOM 0 HB2 LYS A 36 24.392 -12.040 10.492 1.00 43.15 H new ATOM 0 HB3 LYS A 36 24.037 -12.297 8.795 1.00 43.15 H new ATOM 0 HG2 LYS A 36 25.057 -10.103 8.216 1.00 4.03 H new ATOM 0 HG3 LYS A 36 25.333 -9.755 9.911 1.00 4.03 H new ATOM 0 HD2 LYS A 36 26.775 -11.820 10.091 1.00 65.42 H new ATOM 0 HD3 LYS A 36 26.513 -12.145 8.389 1.00 65.42 H new ATOM 0 HE2 LYS A 36 27.587 -9.982 7.779 1.00 65.21 H new ATOM 0 HE3 LYS A 36 27.781 -9.576 9.473 1.00 65.21 H new ATOM 0 HZ1 LYS A 36 29.612 -10.810 9.586 1.00 35.45 H new ATOM 0 HZ2 LYS A 36 28.827 -12.172 8.945 1.00 35.45 H new ATOM 0 HZ3 LYS A 36 29.528 -11.029 7.904 1.00 35.45 H new ATOM 590 N ASP A 37 23.197 -8.426 9.841 1.00 21.40 N ATOM 591 CA ASP A 37 23.329 -7.132 10.480 1.00 31.33 C ATOM 592 C ASP A 37 22.042 -6.725 11.182 1.00 3.04 C ATOM 593 O ASP A 37 22.060 -6.389 12.362 1.00 73.14 O ATOM 594 CB ASP A 37 23.732 -6.060 9.461 1.00 1.34 C ATOM 595 CG ASP A 37 23.901 -4.723 10.152 1.00 74.31 C ATOM 596 OD1 ASP A 37 24.737 -4.629 11.021 1.00 52.50 O ATOM 597 OD2 ASP A 37 23.201 -3.803 9.788 1.00 11.04 O ATOM 0 H ASP A 37 23.328 -8.414 8.830 1.00 21.40 H new ATOM 0 HA ASP A 37 24.115 -7.218 11.231 1.00 31.33 H new ATOM 0 HB2 ASP A 37 24.663 -6.345 8.971 1.00 1.34 H new ATOM 0 HB3 ASP A 37 22.972 -5.983 8.683 1.00 1.34 H new ATOM 602 N MET A 38 20.895 -6.832 10.492 1.00 34.44 N ATOM 603 CA MET A 38 19.641 -6.434 11.131 1.00 41.13 C ATOM 604 C MET A 38 19.452 -7.275 12.353 1.00 34.34 C ATOM 605 O MET A 38 19.059 -6.784 13.400 1.00 71.22 O ATOM 606 CB MET A 38 18.413 -6.656 10.257 1.00 41.21 C ATOM 607 CG MET A 38 18.747 -6.702 8.782 1.00 23.15 C ATOM 608 SD MET A 38 17.193 -6.857 7.860 1.00 32.15 S ATOM 609 CE MET A 38 16.662 -8.454 8.545 1.00 74.35 C ATOM 0 H MET A 38 20.813 -7.175 9.535 1.00 34.44 H new ATOM 0 HA MET A 38 19.723 -5.368 11.341 1.00 41.13 H new ATOM 0 HB2 MET A 38 17.931 -7.590 10.545 1.00 41.21 H new ATOM 0 HB3 MET A 38 17.694 -5.857 10.438 1.00 41.21 H new ATOM 0 HG2 MET A 38 19.279 -5.799 8.483 1.00 23.15 H new ATOM 0 HG3 MET A 38 19.404 -7.545 8.566 1.00 23.15 H new ATOM 0 HE1 MET A 38 16.307 -9.096 7.739 1.00 74.35 H new ATOM 0 HE2 MET A 38 17.503 -8.933 9.047 1.00 74.35 H new ATOM 0 HE3 MET A 38 15.856 -8.293 9.261 1.00 74.35 H new ATOM 619 N VAL A 39 19.751 -8.544 12.211 1.00 14.41 N ATOM 620 CA VAL A 39 19.629 -9.476 13.303 1.00 25.32 C ATOM 621 C VAL A 39 20.514 -9.016 14.436 1.00 51.44 C ATOM 622 O VAL A 39 20.088 -8.964 15.591 1.00 21.33 O ATOM 623 CB VAL A 39 19.978 -10.899 12.833 1.00 31.13 C ATOM 624 CG1 VAL A 39 19.982 -11.876 14.020 1.00 41.14 C ATOM 625 CG2 VAL A 39 18.935 -11.354 11.803 1.00 65.31 C ATOM 0 H VAL A 39 20.084 -8.957 11.340 1.00 14.41 H new ATOM 0 HA VAL A 39 18.600 -9.507 13.661 1.00 25.32 H new ATOM 0 HB VAL A 39 20.972 -10.891 12.386 1.00 31.13 H new ATOM 0 HG11 VAL A 39 20.231 -12.877 13.667 1.00 41.14 H new ATOM 0 HG12 VAL A 39 20.722 -11.555 14.753 1.00 41.14 H new ATOM 0 HG13 VAL A 39 18.995 -11.890 14.483 1.00 41.14 H new ATOM 0 HG21 VAL A 39 19.174 -12.362 11.464 1.00 65.31 H new ATOM 0 HG22 VAL A 39 17.946 -11.350 12.261 1.00 65.31 H new ATOM 0 HG23 VAL A 39 18.943 -10.673 10.952 1.00 65.31 H new ATOM 635 N PHE A 40 21.701 -8.554 14.096 1.00 3.12 N ATOM 636 CA PHE A 40 22.562 -7.956 15.089 1.00 33.42 C ATOM 637 C PHE A 40 21.867 -6.754 15.714 1.00 2.10 C ATOM 638 O PHE A 40 21.783 -6.655 16.936 1.00 42.22 O ATOM 639 CB PHE A 40 23.907 -7.550 14.470 1.00 31.43 C ATOM 640 CG PHE A 40 24.701 -6.706 15.444 1.00 13.33 C ATOM 641 CD1 PHE A 40 25.036 -7.204 16.708 1.00 13.01 C ATOM 642 CD2 PHE A 40 25.091 -5.412 15.079 1.00 43.21 C ATOM 643 CE1 PHE A 40 25.765 -6.413 17.604 1.00 61.34 C ATOM 644 CE2 PHE A 40 25.820 -4.624 15.972 1.00 33.14 C ATOM 645 CZ PHE A 40 26.159 -5.123 17.233 1.00 34.32 C ATOM 0 H PHE A 40 22.085 -8.581 13.151 1.00 3.12 H new ATOM 0 HA PHE A 40 22.765 -8.690 15.869 1.00 33.42 H new ATOM 0 HB2 PHE A 40 24.476 -8.441 14.203 1.00 31.43 H new ATOM 0 HB3 PHE A 40 23.737 -6.992 13.549 1.00 31.43 H new ATOM 0 HD1 PHE A 40 24.732 -8.200 16.993 1.00 13.01 H new ATOM 0 HD2 PHE A 40 24.828 -5.023 14.106 1.00 43.21 H new ATOM 0 HE1 PHE A 40 26.023 -6.798 18.580 1.00 61.34 H new ATOM 0 HE2 PHE A 40 26.123 -3.627 15.688 1.00 33.14 H new ATOM 0 HZ PHE A 40 26.725 -4.513 17.921 1.00 34.32 H new ATOM 655 N LEU A 41 21.301 -5.887 14.879 1.00 22.50 N ATOM 656 CA LEU A 41 20.575 -4.722 15.400 1.00 60.20 C ATOM 657 C LEU A 41 19.388 -5.192 16.212 1.00 62.30 C ATOM 658 O LEU A 41 19.040 -4.611 17.247 1.00 2.04 O ATOM 659 CB LEU A 41 19.993 -3.901 14.235 1.00 64.43 C ATOM 660 CG LEU A 41 21.063 -3.559 13.207 1.00 14.35 C ATOM 661 CD1 LEU A 41 20.426 -2.797 12.037 1.00 15.13 C ATOM 662 CD2 LEU A 41 22.152 -2.714 13.844 1.00 2.24 C ATOM 0 H LEU A 41 21.326 -5.961 13.862 1.00 22.50 H new ATOM 0 HA LEU A 41 21.268 -4.130 15.997 1.00 60.20 H new ATOM 0 HB2 LEU A 41 19.192 -4.464 13.755 1.00 64.43 H new ATOM 0 HB3 LEU A 41 19.550 -2.983 14.621 1.00 64.43 H new ATOM 0 HG LEU A 41 21.509 -4.482 12.837 1.00 14.35 H new ATOM 0 HD11 LEU A 41 21.193 -2.553 11.302 1.00 15.13 H new ATOM 0 HD12 LEU A 41 19.661 -3.419 11.571 1.00 15.13 H new ATOM 0 HD13 LEU A 41 19.971 -1.878 12.406 1.00 15.13 H new ATOM 0 HD21 LEU A 41 22.911 -2.476 13.099 1.00 2.24 H new ATOM 0 HD22 LEU A 41 21.718 -1.790 14.228 1.00 2.24 H new ATOM 0 HD23 LEU A 41 22.610 -3.268 14.664 1.00 2.24 H new ATOM 674 N ASP A 42 18.687 -6.147 15.646 1.00 3.40 N ATOM 675 CA ASP A 42 17.413 -6.602 16.184 1.00 20.53 C ATOM 676 C ASP A 42 17.574 -7.481 17.408 1.00 55.41 C ATOM 677 O ASP A 42 16.810 -7.362 18.365 1.00 3.34 O ATOM 678 CB ASP A 42 16.610 -7.346 15.105 1.00 22.22 C ATOM 679 CG ASP A 42 15.123 -7.134 15.303 1.00 70.13 C ATOM 680 OD1 ASP A 42 14.696 -5.999 15.257 1.00 75.41 O ATOM 681 OD2 ASP A 42 14.424 -8.103 15.478 1.00 72.43 O ATOM 0 H ASP A 42 18.979 -6.635 14.799 1.00 3.40 H new ATOM 0 HA ASP A 42 16.869 -5.711 16.497 1.00 20.53 H new ATOM 0 HB2 ASP A 42 16.904 -6.992 14.117 1.00 22.22 H new ATOM 0 HB3 ASP A 42 16.839 -8.411 15.144 1.00 22.22 H new ATOM 686 N TYR A 43 18.473 -8.443 17.328 1.00 32.23 N ATOM 687 CA TYR A 43 18.605 -9.429 18.398 1.00 3.43 C ATOM 688 C TYR A 43 19.920 -9.298 19.153 1.00 54.44 C ATOM 689 O TYR A 43 20.145 -10.004 20.137 1.00 52.22 O ATOM 690 CB TYR A 43 18.455 -10.842 17.826 1.00 12.45 C ATOM 691 CG TYR A 43 17.112 -10.948 17.126 1.00 32.24 C ATOM 692 CD1 TYR A 43 15.931 -11.009 17.877 1.00 32.13 C ATOM 693 CD2 TYR A 43 17.047 -10.963 15.723 1.00 13.44 C ATOM 694 CE1 TYR A 43 14.696 -11.095 17.228 1.00 60.33 C ATOM 695 CE2 TYR A 43 15.806 -11.043 15.081 1.00 50.22 C ATOM 696 CZ TYR A 43 14.633 -11.111 15.836 1.00 33.42 C ATOM 697 OH TYR A 43 13.415 -11.186 15.206 1.00 11.32 O ATOM 0 H TYR A 43 19.117 -8.568 16.547 1.00 32.23 H new ATOM 0 HA TYR A 43 17.808 -9.239 19.117 1.00 3.43 H new ATOM 0 HB2 TYR A 43 19.263 -11.053 17.126 1.00 12.45 H new ATOM 0 HB3 TYR A 43 18.524 -11.581 18.624 1.00 12.45 H new ATOM 0 HD1 TYR A 43 15.975 -10.990 18.956 1.00 32.13 H new ATOM 0 HD2 TYR A 43 17.955 -10.913 15.140 1.00 13.44 H new ATOM 0 HE1 TYR A 43 13.787 -11.149 17.808 1.00 60.33 H new ATOM 0 HE2 TYR A 43 15.755 -11.052 14.002 1.00 50.22 H new ATOM 0 HH TYR A 43 13.548 -11.186 14.235 1.00 11.32 H new ATOM 707 N GLY A 44 20.776 -8.387 18.721 1.00 13.32 N ATOM 708 CA GLY A 44 22.055 -8.183 19.393 1.00 51.52 C ATOM 709 C GLY A 44 22.994 -9.342 19.119 1.00 41.34 C ATOM 710 O GLY A 44 23.875 -9.647 19.922 1.00 41.15 O ATOM 0 H GLY A 44 20.614 -7.781 17.917 1.00 13.32 H new ATOM 0 HA2 GLY A 44 22.508 -7.253 19.050 1.00 51.52 H new ATOM 0 HA3 GLY A 44 21.896 -8.083 20.467 1.00 51.52 H new ATOM 714 N PHE A 45 22.774 -10.019 18.001 1.00 73.22 N ATOM 715 CA PHE A 45 23.593 -11.164 17.616 1.00 0.40 C ATOM 716 C PHE A 45 24.867 -10.686 16.922 1.00 12.32 C ATOM 717 O PHE A 45 24.826 -10.333 15.740 1.00 44.25 O ATOM 718 CB PHE A 45 22.809 -12.075 16.652 1.00 13.01 C ATOM 719 CG PHE A 45 21.707 -12.835 17.375 1.00 55.55 C ATOM 720 CD1 PHE A 45 21.390 -12.554 18.718 1.00 31.22 C ATOM 721 CD2 PHE A 45 21.003 -13.838 16.691 1.00 43.54 C ATOM 722 CE1 PHE A 45 20.377 -13.272 19.363 1.00 2.11 C ATOM 723 CE2 PHE A 45 19.988 -14.550 17.339 1.00 74.25 C ATOM 724 CZ PHE A 45 19.677 -14.270 18.675 1.00 11.12 C ATOM 0 H PHE A 45 22.031 -9.795 17.340 1.00 73.22 H new ATOM 0 HA PHE A 45 23.853 -11.722 18.516 1.00 0.40 H new ATOM 0 HB2 PHE A 45 22.374 -11.473 15.854 1.00 13.01 H new ATOM 0 HB3 PHE A 45 23.492 -12.782 16.182 1.00 13.01 H new ATOM 0 HD1 PHE A 45 21.929 -11.784 19.250 1.00 31.22 H new ATOM 0 HD2 PHE A 45 21.245 -14.061 15.662 1.00 43.54 H new ATOM 0 HE1 PHE A 45 20.135 -13.056 20.393 1.00 2.11 H new ATOM 0 HE2 PHE A 45 19.444 -15.317 16.808 1.00 74.25 H new ATOM 0 HZ PHE A 45 18.897 -14.824 19.175 1.00 11.12 H new ATOM 734 N PRO A 46 25.991 -10.646 17.612 1.00 33.44 N ATOM 735 CA PRO A 46 27.277 -10.180 17.007 1.00 1.25 C ATOM 736 C PRO A 46 27.556 -10.893 15.669 1.00 72.23 C ATOM 737 O PRO A 46 27.346 -12.105 15.542 1.00 63.41 O ATOM 738 CB PRO A 46 28.340 -10.552 18.064 1.00 45.41 C ATOM 739 CG PRO A 46 27.639 -11.438 19.053 1.00 3.22 C ATOM 740 CD PRO A 46 26.174 -11.019 19.027 1.00 61.54 C ATOM 0 HA PRO A 46 27.267 -9.115 16.775 1.00 1.25 H new ATOM 0 HB2 PRO A 46 29.184 -11.068 17.606 1.00 45.41 H new ATOM 0 HB3 PRO A 46 28.737 -9.661 18.550 1.00 45.41 H new ATOM 0 HG2 PRO A 46 27.749 -12.488 18.783 1.00 3.22 H new ATOM 0 HG3 PRO A 46 28.061 -11.319 20.051 1.00 3.22 H new ATOM 0 HD2 PRO A 46 25.511 -11.832 19.324 1.00 61.54 H new ATOM 0 HD3 PRO A 46 25.976 -10.184 19.699 1.00 61.54 H new ATOM 748 N PRO A 47 28.007 -10.172 14.677 1.00 24.43 N ATOM 749 CA PRO A 47 28.251 -10.748 13.321 1.00 3.35 C ATOM 750 C PRO A 47 29.250 -11.888 13.347 1.00 32.23 C ATOM 751 O PRO A 47 29.090 -12.875 12.630 1.00 60.40 O ATOM 752 CB PRO A 47 28.786 -9.557 12.507 1.00 22.12 C ATOM 753 CG PRO A 47 29.275 -8.581 13.530 1.00 61.03 C ATOM 754 CD PRO A 47 28.339 -8.738 14.726 1.00 72.21 C ATOM 0 HA PRO A 47 27.347 -11.185 12.896 1.00 3.35 H new ATOM 0 HB2 PRO A 47 29.590 -9.865 11.838 1.00 22.12 H new ATOM 0 HB3 PRO A 47 28.004 -9.120 11.886 1.00 22.12 H new ATOM 0 HG2 PRO A 47 30.307 -8.790 13.810 1.00 61.03 H new ATOM 0 HG3 PRO A 47 29.250 -7.562 13.143 1.00 61.03 H new ATOM 0 HD2 PRO A 47 28.826 -8.465 15.662 1.00 72.21 H new ATOM 0 HD3 PRO A 47 27.452 -8.112 14.633 1.00 72.21 H new ATOM 762 N VAL A 48 30.211 -11.812 14.249 1.00 2.22 N ATOM 763 CA VAL A 48 31.156 -12.902 14.409 1.00 3.34 C ATOM 764 C VAL A 48 30.431 -14.176 14.836 1.00 13.44 C ATOM 765 O VAL A 48 30.670 -15.260 14.291 1.00 24.32 O ATOM 766 CB VAL A 48 32.283 -12.526 15.407 1.00 51.11 C ATOM 767 CG1 VAL A 48 31.694 -11.871 16.667 1.00 44.54 C ATOM 768 CG2 VAL A 48 33.057 -13.788 15.820 1.00 41.53 C ATOM 0 H VAL A 48 30.357 -11.019 14.874 1.00 2.22 H new ATOM 0 HA VAL A 48 31.630 -13.090 13.446 1.00 3.34 H new ATOM 0 HB VAL A 48 32.953 -11.821 14.915 1.00 51.11 H new ATOM 0 HG11 VAL A 48 32.500 -11.615 17.354 1.00 44.54 H new ATOM 0 HG12 VAL A 48 31.154 -10.966 16.388 1.00 44.54 H new ATOM 0 HG13 VAL A 48 31.010 -12.567 17.153 1.00 44.54 H new ATOM 0 HG21 VAL A 48 33.847 -13.517 16.521 1.00 41.53 H new ATOM 0 HG22 VAL A 48 32.376 -14.493 16.296 1.00 41.53 H new ATOM 0 HG23 VAL A 48 33.498 -14.250 14.937 1.00 41.53 H new ATOM 778 N LEU A 49 29.512 -14.032 15.773 1.00 54.44 N ATOM 779 CA LEU A 49 28.753 -15.167 16.257 1.00 52.43 C ATOM 780 C LEU A 49 27.765 -15.657 15.225 1.00 2.01 C ATOM 781 O LEU A 49 27.524 -16.859 15.121 1.00 62.52 O ATOM 782 CB LEU A 49 28.038 -14.849 17.564 1.00 62.41 C ATOM 783 CG LEU A 49 29.034 -14.986 18.730 1.00 55.31 C ATOM 784 CD1 LEU A 49 30.061 -13.848 18.695 1.00 45.40 C ATOM 785 CD2 LEU A 49 28.290 -14.964 20.063 1.00 21.42 C ATOM 0 H LEU A 49 29.275 -13.142 16.212 1.00 54.44 H new ATOM 0 HA LEU A 49 29.470 -15.966 16.448 1.00 52.43 H new ATOM 0 HB2 LEU A 49 27.631 -13.838 17.534 1.00 62.41 H new ATOM 0 HB3 LEU A 49 27.196 -15.527 17.707 1.00 62.41 H new ATOM 0 HG LEU A 49 29.556 -15.937 18.625 1.00 55.31 H new ATOM 0 HD11 LEU A 49 30.757 -13.960 19.526 1.00 45.40 H new ATOM 0 HD12 LEU A 49 30.610 -13.883 17.754 1.00 45.40 H new ATOM 0 HD13 LEU A 49 29.546 -12.891 18.780 1.00 45.40 H new ATOM 0 HD21 LEU A 49 29.005 -15.062 20.880 1.00 21.42 H new ATOM 0 HD22 LEU A 49 27.751 -14.022 20.163 1.00 21.42 H new ATOM 0 HD23 LEU A 49 27.583 -15.793 20.099 1.00 21.42 H new ATOM 797 N GLN A 50 27.169 -14.735 14.481 1.00 62.55 N ATOM 798 CA GLN A 50 26.180 -15.123 13.488 1.00 24.52 C ATOM 799 C GLN A 50 26.828 -15.858 12.339 1.00 43.40 C ATOM 800 O GLN A 50 27.300 -15.231 11.388 1.00 65.42 O ATOM 801 CB GLN A 50 25.444 -13.911 12.910 1.00 53.50 C ATOM 802 CG GLN A 50 24.535 -13.256 13.943 1.00 42.03 C ATOM 803 CD GLN A 50 23.684 -12.214 13.232 1.00 24.14 C ATOM 804 OE1 GLN A 50 22.978 -12.549 12.273 1.00 22.04 O ATOM 805 NE2 GLN A 50 23.711 -10.979 13.621 1.00 23.53 N ATOM 0 H GLN A 50 27.349 -13.733 14.544 1.00 62.55 H new ATOM 0 HA GLN A 50 25.469 -15.769 14.003 1.00 24.52 H new ATOM 0 HB2 GLN A 50 26.170 -13.182 12.551 1.00 53.50 H new ATOM 0 HB3 GLN A 50 24.852 -14.222 12.049 1.00 53.50 H new ATOM 0 HG2 GLN A 50 23.901 -14.003 14.421 1.00 42.03 H new ATOM 0 HG3 GLN A 50 25.128 -12.790 14.731 1.00 42.03 H new ATOM 0 HE21 GLN A 50 24.294 -10.706 14.412 1.00 23.53 H new ATOM 0 HE22 GLN A 50 23.149 -10.279 13.136 1.00 23.53 H new ATOM 814 N GLN A 51 26.689 -17.165 12.327 1.00 50.00 N ATOM 815 CA GLN A 51 27.104 -17.943 11.186 1.00 5.12 C ATOM 816 C GLN A 51 25.858 -18.399 10.442 1.00 24.14 C ATOM 817 O GLN A 51 25.099 -19.238 10.929 1.00 52.33 O ATOM 818 CB GLN A 51 27.967 -19.131 11.630 1.00 32.34 C ATOM 819 CG GLN A 51 29.455 -18.835 11.323 1.00 40.52 C ATOM 820 CD GLN A 51 29.950 -17.593 12.078 1.00 13.41 C ATOM 821 OE1 GLN A 51 29.323 -17.173 13.131 1.00 2.14 O flip ATOM 822 NE2 GLN A 51 30.942 -16.980 11.680 1.00 64.45 N flip ATOM 0 H GLN A 51 26.292 -17.709 13.094 1.00 50.00 H new ATOM 0 HA GLN A 51 27.719 -17.339 10.518 1.00 5.12 H new ATOM 0 HB2 GLN A 51 27.834 -19.311 12.697 1.00 32.34 H new ATOM 0 HB3 GLN A 51 27.651 -20.037 11.112 1.00 32.34 H new ATOM 0 HG2 GLN A 51 30.063 -19.696 11.600 1.00 40.52 H new ATOM 0 HG3 GLN A 51 29.583 -18.685 10.251 1.00 40.52 H new ATOM 0 HE21 GLN A 51 31.443 -17.303 10.852 1.00 64.45 H new ATOM 0 HE22 GLN A 51 31.263 -16.150 12.179 1.00 64.45 H new ATOM 831 N TRP A 52 25.571 -17.714 9.351 1.00 42.04 N ATOM 832 CA TRP A 52 24.326 -17.905 8.622 1.00 31.04 C ATOM 833 C TRP A 52 24.463 -19.014 7.609 1.00 72.42 C ATOM 834 O TRP A 52 25.388 -18.998 6.797 1.00 1.43 O ATOM 835 CB TRP A 52 23.972 -16.605 7.889 1.00 75.43 C ATOM 836 CG TRP A 52 23.225 -15.688 8.801 1.00 45.20 C ATOM 837 CD1 TRP A 52 23.783 -14.864 9.723 1.00 33.04 C ATOM 838 CD2 TRP A 52 21.795 -15.486 8.882 1.00 51.21 C ATOM 839 NE1 TRP A 52 22.768 -14.173 10.370 1.00 11.32 N ATOM 840 CE2 TRP A 52 21.524 -14.523 9.881 1.00 62.02 C ATOM 841 CE3 TRP A 52 20.709 -16.045 8.188 1.00 64.11 C ATOM 842 CZ2 TRP A 52 20.225 -14.129 10.179 1.00 55.12 C ATOM 843 CZ3 TRP A 52 19.397 -15.650 8.485 1.00 45.22 C ATOM 844 CH2 TRP A 52 19.161 -14.691 9.478 1.00 64.43 C ATOM 0 H TRP A 52 26.189 -17.012 8.945 1.00 42.04 H new ATOM 0 HA TRP A 52 23.543 -18.171 9.332 1.00 31.04 H new ATOM 0 HB2 TRP A 52 24.881 -16.118 7.536 1.00 75.43 H new ATOM 0 HB3 TRP A 52 23.368 -16.827 7.010 1.00 75.43 H new ATOM 0 HD1 TRP A 52 24.840 -14.763 9.920 1.00 33.04 H new ATOM 0 HE1 TRP A 52 22.921 -13.492 11.114 1.00 11.32 H new ATOM 0 HE3 TRP A 52 20.886 -16.784 7.421 1.00 64.11 H new ATOM 0 HZ2 TRP A 52 20.042 -13.393 10.948 1.00 55.12 H new ATOM 0 HZ3 TRP A 52 18.568 -16.086 7.948 1.00 45.22 H new ATOM 0 HH2 TRP A 52 18.149 -14.386 9.701 1.00 64.43 H new ATOM 855 N VAL A 53 23.498 -19.920 7.580 1.00 64.50 N ATOM 856 CA VAL A 53 23.508 -20.978 6.599 1.00 13.22 C ATOM 857 C VAL A 53 22.238 -20.945 5.764 1.00 24.40 C ATOM 858 O VAL A 53 21.124 -21.077 6.280 1.00 52.11 O ATOM 859 CB VAL A 53 23.658 -22.340 7.287 1.00 15.40 C ATOM 860 CG1 VAL A 53 23.814 -23.450 6.243 1.00 70.32 C ATOM 861 CG2 VAL A 53 24.877 -22.326 8.223 1.00 70.32 C ATOM 0 H VAL A 53 22.706 -19.939 8.222 1.00 64.50 H new ATOM 0 HA VAL A 53 24.360 -20.825 5.936 1.00 13.22 H new ATOM 0 HB VAL A 53 22.760 -22.535 7.874 1.00 15.40 H new ATOM 0 HG11 VAL A 53 23.919 -24.411 6.747 1.00 70.32 H new ATOM 0 HG12 VAL A 53 22.934 -23.472 5.601 1.00 70.32 H new ATOM 0 HG13 VAL A 53 24.700 -23.258 5.638 1.00 70.32 H new ATOM 0 HG21 VAL A 53 24.975 -23.298 8.707 1.00 70.32 H new ATOM 0 HG22 VAL A 53 25.777 -22.116 7.645 1.00 70.32 H new ATOM 0 HG23 VAL A 53 24.744 -21.555 8.982 1.00 70.32 H new ATOM 871 N ILE A 54 22.433 -20.882 4.471 1.00 31.32 N ATOM 872 CA ILE A 54 21.374 -20.987 3.500 1.00 2.42 C ATOM 873 C ILE A 54 21.763 -22.065 2.507 1.00 55.44 C ATOM 874 O ILE A 54 22.933 -22.144 2.118 1.00 64.42 O ATOM 875 CB ILE A 54 21.140 -19.624 2.805 1.00 61.22 C ATOM 876 CG1 ILE A 54 20.655 -18.599 3.843 1.00 70.55 C ATOM 877 CG2 ILE A 54 20.094 -19.760 1.707 1.00 73.52 C ATOM 878 CD1 ILE A 54 20.614 -17.200 3.213 1.00 33.44 C ATOM 0 H ILE A 54 23.355 -20.753 4.055 1.00 31.32 H new ATOM 0 HA ILE A 54 20.434 -21.258 3.981 1.00 2.42 H new ATOM 0 HB ILE A 54 22.078 -19.290 2.361 1.00 61.22 H new ATOM 0 HG12 ILE A 54 19.664 -18.874 4.204 1.00 70.55 H new ATOM 0 HG13 ILE A 54 21.320 -18.600 4.706 1.00 70.55 H new ATOM 0 HG21 ILE A 54 19.941 -18.793 1.228 1.00 73.52 H new ATOM 0 HG22 ILE A 54 20.437 -20.482 0.966 1.00 73.52 H new ATOM 0 HG23 ILE A 54 19.154 -20.103 2.140 1.00 73.52 H new ATOM 0 HD11 ILE A 54 20.270 -16.478 3.953 1.00 33.44 H new ATOM 0 HD12 ILE A 54 21.613 -16.924 2.874 1.00 33.44 H new ATOM 0 HD13 ILE A 54 19.931 -17.203 2.364 1.00 33.44 H new ATOM 991 N ASP A 61 29.112 -12.949 2.740 1.00 5.24 N ATOM 992 CA ASP A 61 28.045 -12.217 3.437 1.00 62.30 C ATOM 993 C ASP A 61 27.253 -11.407 2.438 1.00 23.25 C ATOM 994 O ASP A 61 26.062 -11.140 2.634 1.00 41.02 O ATOM 995 CB ASP A 61 28.644 -11.253 4.477 1.00 4.03 C ATOM 996 CG ASP A 61 28.929 -11.943 5.803 1.00 13.24 C ATOM 997 OD1 ASP A 61 28.298 -12.923 6.101 1.00 33.05 O ATOM 998 OD2 ASP A 61 29.769 -11.453 6.524 1.00 24.14 O ATOM 0 HA ASP A 61 27.402 -12.940 3.938 1.00 62.30 H new ATOM 0 HB2 ASP A 61 29.568 -10.827 4.085 1.00 4.03 H new ATOM 0 HB3 ASP A 61 27.955 -10.424 4.641 1.00 4.03 H new ATOM 1003 N GLN A 62 27.956 -10.918 1.437 1.00 12.52 N ATOM 1004 CA GLN A 62 27.389 -10.034 0.437 1.00 34.33 C ATOM 1005 C GLN A 62 26.481 -10.781 -0.542 1.00 44.45 C ATOM 1006 O GLN A 62 26.085 -10.224 -1.572 1.00 1.43 O ATOM 1007 CB GLN A 62 28.508 -9.316 -0.316 1.00 0.02 C ATOM 1008 CG GLN A 62 29.348 -8.501 0.678 1.00 25.23 C ATOM 1009 CD GLN A 62 28.520 -7.386 1.297 1.00 11.12 C ATOM 1010 OE1 GLN A 62 27.893 -6.606 0.579 1.00 1.45 O ATOM 1011 NE2 GLN A 62 28.488 -7.249 2.584 1.00 15.21 N ATOM 0 H GLN A 62 28.945 -11.124 1.293 1.00 12.52 H new ATOM 0 HA GLN A 62 26.770 -9.301 0.954 1.00 34.33 H new ATOM 0 HB2 GLN A 62 29.137 -10.041 -0.833 1.00 0.02 H new ATOM 0 HB3 GLN A 62 28.087 -8.660 -1.077 1.00 0.02 H new ATOM 0 HG2 GLN A 62 29.729 -9.156 1.462 1.00 25.23 H new ATOM 0 HG3 GLN A 62 30.213 -8.078 0.168 1.00 25.23 H new ATOM 0 HE21 GLN A 62 29.007 -7.895 3.179 1.00 15.21 H new ATOM 0 HE22 GLN A 62 27.944 -6.495 3.003 1.00 15.21 H new ATOM 1020 N GLU A 63 26.129 -12.021 -0.219 1.00 4.31 N ATOM 1021 CA GLU A 63 25.197 -12.772 -1.049 1.00 63.23 C ATOM 1022 C GLU A 63 23.824 -12.137 -0.953 1.00 22.23 C ATOM 1023 O GLU A 63 23.323 -11.934 0.157 1.00 10.12 O ATOM 1024 CB GLU A 63 25.085 -14.208 -0.524 1.00 4.24 C ATOM 1025 CG GLU A 63 26.318 -15.009 -0.910 1.00 13.54 C ATOM 1026 CD GLU A 63 26.244 -15.358 -2.371 1.00 55.25 C ATOM 1027 OE1 GLU A 63 25.325 -16.053 -2.742 1.00 51.42 O ATOM 1028 OE2 GLU A 63 27.095 -14.936 -3.096 1.00 33.23 O ATOM 0 H GLU A 63 26.471 -12.522 0.601 1.00 4.31 H new ATOM 0 HA GLU A 63 25.555 -12.770 -2.079 1.00 63.23 H new ATOM 0 HB2 GLU A 63 24.974 -14.198 0.560 1.00 4.24 H new ATOM 0 HB3 GLU A 63 24.192 -14.683 -0.931 1.00 4.24 H new ATOM 0 HG2 GLU A 63 27.220 -14.431 -0.707 1.00 13.54 H new ATOM 0 HG3 GLU A 63 26.379 -15.917 -0.310 1.00 13.54 H new ATOM 1035 N THR A 64 23.167 -11.930 -2.079 1.00 35.12 N ATOM 1036 CA THR A 64 21.801 -11.438 -2.048 1.00 71.14 C ATOM 1037 C THR A 64 20.882 -12.581 -1.675 1.00 54.02 C ATOM 1038 O THR A 64 21.146 -13.731 -2.052 1.00 2.04 O ATOM 1039 CB THR A 64 21.396 -10.847 -3.411 1.00 71.33 C ATOM 1040 OG1 THR A 64 22.457 -11.032 -4.343 1.00 5.15 O ATOM 1041 CG2 THR A 64 21.080 -9.352 -3.271 1.00 70.13 C ATOM 0 H THR A 64 23.548 -12.091 -3.011 1.00 35.12 H new ATOM 0 HA THR A 64 21.722 -10.642 -1.308 1.00 71.14 H new ATOM 0 HB THR A 64 20.503 -11.360 -3.769 1.00 71.33 H new ATOM 0 HG1 THR A 64 22.757 -11.965 -4.316 1.00 5.15 H new ATOM 0 HG21 THR A 64 20.795 -8.948 -4.242 1.00 70.13 H new ATOM 0 HG22 THR A 64 20.258 -9.218 -2.567 1.00 70.13 H new ATOM 0 HG23 THR A 64 21.962 -8.827 -2.904 1.00 70.13 H new ATOM 1049 N LEU A 65 19.802 -12.283 -0.988 1.00 11.25 N ATOM 1050 CA LEU A 65 18.862 -13.318 -0.591 1.00 22.02 C ATOM 1051 C LEU A 65 18.297 -13.960 -1.853 1.00 11.33 C ATOM 1052 O LEU A 65 18.223 -15.187 -1.976 1.00 62.22 O ATOM 1053 CB LEU A 65 17.724 -12.707 0.242 1.00 34.52 C ATOM 1054 CG LEU A 65 18.270 -12.117 1.553 1.00 14.33 C ATOM 1055 CD1 LEU A 65 17.130 -11.485 2.344 1.00 43.21 C ATOM 1056 CD2 LEU A 65 18.938 -13.199 2.407 1.00 30.03 C ATOM 0 H LEU A 65 19.550 -11.340 -0.692 1.00 11.25 H new ATOM 0 HA LEU A 65 19.368 -14.068 0.018 1.00 22.02 H new ATOM 0 HB2 LEU A 65 17.223 -11.928 -0.333 1.00 34.52 H new ATOM 0 HB3 LEU A 65 16.978 -13.470 0.463 1.00 34.52 H new ATOM 0 HG LEU A 65 19.015 -11.362 1.303 1.00 14.33 H new ATOM 0 HD11 LEU A 65 17.519 -11.068 3.273 1.00 43.21 H new ATOM 0 HD12 LEU A 65 16.673 -10.691 1.753 1.00 43.21 H new ATOM 0 HD13 LEU A 65 16.382 -12.244 2.573 1.00 43.21 H new ATOM 0 HD21 LEU A 65 19.315 -12.754 3.328 1.00 30.03 H new ATOM 0 HD22 LEU A 65 18.209 -13.973 2.649 1.00 30.03 H new ATOM 0 HD23 LEU A 65 19.766 -13.641 1.852 1.00 30.03 H new ATOM 1068 N HIS A 66 18.037 -13.118 -2.839 1.00 73.23 N ATOM 1069 CA HIS A 66 17.569 -13.556 -4.145 1.00 34.14 C ATOM 1070 C HIS A 66 18.531 -14.590 -4.719 1.00 10.32 C ATOM 1071 O HIS A 66 18.119 -15.554 -5.372 1.00 1.13 O ATOM 1072 CB HIS A 66 17.502 -12.348 -5.088 1.00 25.42 C ATOM 1073 CG HIS A 66 16.733 -12.689 -6.330 1.00 52.33 C ATOM 1074 ND1 HIS A 66 15.493 -12.305 -6.768 1.00 11.11 N flip ATOM 1075 CD2 HIS A 66 17.251 -13.510 -7.320 1.00 15.50 C flip ATOM 1076 CE1 HIS A 66 15.235 -12.873 -8.011 1.00 44.55 C flip ATOM 1077 NE2 HIS A 66 16.326 -13.592 -8.299 1.00 53.54 N flip ATOM 0 H HIS A 66 18.145 -12.107 -2.757 1.00 73.23 H new ATOM 0 HA HIS A 66 16.580 -14.002 -4.043 1.00 34.14 H new ATOM 0 HB2 HIS A 66 17.028 -11.509 -4.579 1.00 25.42 H new ATOM 0 HB3 HIS A 66 18.510 -12.031 -5.354 1.00 25.42 H new ATOM 0 HD2 HIS A 66 18.216 -13.994 -7.310 1.00 15.50 H new ATOM 0 HE1 HIS A 66 14.346 -12.758 -8.614 1.00 44.55 H new ATOM 0 HE2 HIS A 66 16.444 -14.136 -9.154 1.00 53.54 H new ATOM 1086 N SER A 67 19.816 -14.366 -4.509 1.00 14.51 N ATOM 1087 CA SER A 67 20.842 -15.231 -5.072 1.00 21.22 C ATOM 1088 C SER A 67 20.631 -16.657 -4.584 1.00 5.04 C ATOM 1089 O SER A 67 20.835 -17.626 -5.324 1.00 31.30 O ATOM 1090 CB SER A 67 22.222 -14.756 -4.606 1.00 53.23 C ATOM 1091 OG SER A 67 22.167 -13.355 -4.331 1.00 52.30 O ATOM 0 H SER A 67 20.176 -13.591 -3.952 1.00 14.51 H new ATOM 0 HA SER A 67 20.781 -15.196 -6.160 1.00 21.22 H new ATOM 0 HB2 SER A 67 22.526 -15.303 -3.713 1.00 53.23 H new ATOM 0 HB3 SER A 67 22.969 -14.959 -5.374 1.00 53.23 H new ATOM 0 HG SER A 67 21.717 -12.894 -5.069 1.00 52.30 H new ATOM 1097 N HIS A 68 20.210 -16.778 -3.335 1.00 71.23 N ATOM 1098 CA HIS A 68 19.981 -18.082 -2.725 1.00 44.15 C ATOM 1099 C HIS A 68 18.599 -18.584 -3.063 1.00 51.40 C ATOM 1100 O HIS A 68 18.114 -19.559 -2.477 1.00 71.43 O ATOM 1101 CB HIS A 68 20.169 -17.996 -1.206 1.00 24.14 C ATOM 1102 CG HIS A 68 21.575 -17.561 -0.922 1.00 33.13 C ATOM 1103 ND1 HIS A 68 22.039 -17.296 0.358 1.00 40.22 N ATOM 1104 CD2 HIS A 68 22.618 -17.303 -1.761 1.00 74.41 C ATOM 1105 CE1 HIS A 68 23.321 -16.889 0.239 1.00 31.20 C ATOM 1106 NE2 HIS A 68 23.719 -16.877 -1.042 1.00 62.11 N ATOM 0 H HIS A 68 20.019 -15.987 -2.720 1.00 71.23 H new ATOM 0 HA HIS A 68 20.709 -18.789 -3.123 1.00 44.15 H new ATOM 0 HB2 HIS A 68 19.460 -17.288 -0.777 1.00 24.14 H new ATOM 0 HB3 HIS A 68 19.972 -18.964 -0.745 1.00 24.14 H new ATOM 0 HD2 HIS A 68 22.588 -17.415 -2.835 1.00 74.41 H new ATOM 0 HE1 HIS A 68 23.948 -16.608 1.072 1.00 31.20 H new ATOM 0 HE2 HIS A 68 24.634 -16.612 -1.406 1.00 62.11 H new ATOM 1115 N GLY A 69 17.949 -17.899 -3.984 1.00 24.31 N ATOM 1116 CA GLY A 69 16.617 -18.266 -4.400 1.00 1.43 C ATOM 1117 C GLY A 69 15.599 -17.816 -3.379 1.00 24.22 C ATOM 1118 O GLY A 69 14.403 -18.087 -3.522 1.00 54.34 O ATOM 0 H GLY A 69 18.329 -17.080 -4.459 1.00 24.31 H new ATOM 0 HA2 GLY A 69 16.395 -17.814 -5.367 1.00 1.43 H new ATOM 0 HA3 GLY A 69 16.556 -19.346 -4.531 1.00 1.43 H new ATOM 1122 N VAL A 70 16.041 -17.021 -2.407 1.00 14.11 N ATOM 1123 CA VAL A 70 15.109 -16.439 -1.471 1.00 2.23 C ATOM 1124 C VAL A 70 14.421 -15.304 -2.198 1.00 63.41 C ATOM 1125 O VAL A 70 14.927 -14.184 -2.240 1.00 21.42 O ATOM 1126 CB VAL A 70 15.861 -15.904 -0.244 1.00 22.03 C ATOM 1127 CG1 VAL A 70 14.870 -15.604 0.884 1.00 73.22 C ATOM 1128 CG2 VAL A 70 16.894 -16.937 0.234 1.00 4.51 C ATOM 0 H VAL A 70 17.019 -16.775 -2.256 1.00 14.11 H new ATOM 0 HA VAL A 70 14.387 -17.177 -1.121 1.00 2.23 H new ATOM 0 HB VAL A 70 16.379 -14.986 -0.521 1.00 22.03 H new ATOM 0 HG11 VAL A 70 15.410 -15.225 1.752 1.00 73.22 H new ATOM 0 HG12 VAL A 70 14.152 -14.856 0.548 1.00 73.22 H new ATOM 0 HG13 VAL A 70 14.341 -16.518 1.157 1.00 73.22 H new ATOM 0 HG21 VAL A 70 17.422 -16.548 1.105 1.00 4.51 H new ATOM 0 HG22 VAL A 70 16.385 -17.863 0.502 1.00 4.51 H new ATOM 0 HG23 VAL A 70 17.608 -17.134 -0.565 1.00 4.51 H new ATOM 1138 N ARG A 71 13.388 -15.662 -2.931 1.00 60.24 N ATOM 1139 CA ARG A 71 12.746 -14.744 -3.851 1.00 5.14 C ATOM 1140 C ARG A 71 11.305 -14.486 -3.474 1.00 73.44 C ATOM 1141 O ARG A 71 10.606 -13.719 -4.134 1.00 42.30 O ATOM 1142 CB ARG A 71 12.861 -15.314 -5.258 1.00 72.31 C ATOM 1143 CG ARG A 71 14.345 -15.343 -5.632 1.00 42.42 C ATOM 1144 CD ARG A 71 14.556 -16.012 -6.986 1.00 13.23 C ATOM 1145 NE ARG A 71 14.261 -17.440 -6.894 1.00 43.00 N ATOM 1146 CZ ARG A 71 14.419 -18.251 -7.938 1.00 42.14 C ATOM 1147 NH1 ARG A 71 14.837 -17.769 -9.071 1.00 15.55 N ATOM 1148 NH2 ARG A 71 14.161 -19.520 -7.821 1.00 31.11 N ATOM 0 H ARG A 71 12.971 -16.592 -2.907 1.00 60.24 H new ATOM 0 HA ARG A 71 13.248 -13.778 -3.805 1.00 5.14 H new ATOM 0 HB2 ARG A 71 12.437 -16.317 -5.299 1.00 72.31 H new ATOM 0 HB3 ARG A 71 12.301 -14.702 -5.965 1.00 72.31 H new ATOM 0 HG2 ARG A 71 14.736 -14.326 -5.660 1.00 42.42 H new ATOM 0 HG3 ARG A 71 14.906 -15.879 -4.866 1.00 42.42 H new ATOM 0 HD2 ARG A 71 13.913 -15.548 -7.734 1.00 13.23 H new ATOM 0 HD3 ARG A 71 15.585 -15.866 -7.316 1.00 13.23 H new ATOM 0 HE ARG A 71 13.927 -17.824 -6.010 1.00 43.00 H new ATOM 0 HH11 ARG A 71 15.042 -16.774 -9.157 1.00 15.55 H new ATOM 0 HH12 ARG A 71 14.960 -18.386 -9.874 1.00 15.55 H new ATOM 0 HH21 ARG A 71 13.837 -19.895 -6.929 1.00 31.11 H new ATOM 0 HH22 ARG A 71 14.282 -20.141 -8.621 1.00 31.11 H new ATOM 1162 N GLN A 72 10.859 -15.123 -2.420 1.00 22.33 N ATOM 1163 CA GLN A 72 9.499 -14.943 -1.947 1.00 11.22 C ATOM 1164 C GLN A 72 9.416 -15.247 -0.470 1.00 63.41 C ATOM 1165 O GLN A 72 10.342 -15.807 0.115 1.00 54.20 O ATOM 1166 CB GLN A 72 8.513 -15.826 -2.725 1.00 72.22 C ATOM 1167 CG GLN A 72 9.041 -17.259 -2.793 1.00 11.44 C ATOM 1168 CD GLN A 72 9.891 -17.476 -4.047 1.00 64.24 C ATOM 1169 OE1 GLN A 72 10.053 -16.512 -4.908 1.00 55.53 O flip ATOM 1170 NE2 GLN A 72 10.427 -18.563 -4.248 1.00 55.43 N flip ATOM 0 H GLN A 72 11.417 -15.775 -1.868 1.00 22.33 H new ATOM 0 HA GLN A 72 9.222 -13.902 -2.115 1.00 11.22 H new ATOM 0 HB2 GLN A 72 7.537 -15.811 -2.240 1.00 72.22 H new ATOM 0 HB3 GLN A 72 8.374 -15.432 -3.732 1.00 72.22 H new ATOM 0 HG2 GLN A 72 9.636 -17.473 -1.905 1.00 11.44 H new ATOM 0 HG3 GLN A 72 8.205 -17.958 -2.792 1.00 11.44 H new ATOM 0 HE21 GLN A 72 10.305 -19.323 -3.579 1.00 55.43 H new ATOM 0 HE22 GLN A 72 10.994 -18.705 -5.084 1.00 55.43 H new ATOM 1179 N ASN A 73 8.311 -14.880 0.123 1.00 71.53 N ATOM 1180 CA ASN A 73 8.091 -15.113 1.541 1.00 20.42 C ATOM 1181 C ASN A 73 7.827 -16.582 1.791 1.00 52.02 C ATOM 1182 O ASN A 73 7.312 -17.280 0.917 1.00 44.32 O ATOM 1183 CB ASN A 73 6.906 -14.273 2.039 1.00 43.42 C ATOM 1184 CG ASN A 73 5.582 -14.958 1.714 1.00 52.31 C ATOM 1185 OD1 ASN A 73 5.321 -15.308 0.494 1.00 70.33 O flip ATOM 1186 ND2 ASN A 73 4.763 -15.177 2.608 1.00 55.51 N flip ATOM 0 H ASN A 73 7.538 -14.414 -0.352 1.00 71.53 H new ATOM 0 HA ASN A 73 8.986 -14.816 2.088 1.00 20.42 H new ATOM 0 HB2 ASN A 73 6.988 -14.122 3.115 1.00 43.42 H new ATOM 0 HB3 ASN A 73 6.934 -13.287 1.576 1.00 43.42 H new ATOM 0 HD21 ASN A 73 4.970 -14.901 3.568 1.00 55.51 H new ATOM 0 HD22 ASN A 73 3.878 -15.634 2.388 1.00 55.51 H new ATOM 1193 N GLY A 74 8.145 -17.043 2.982 1.00 42.33 N ATOM 1194 CA GLY A 74 7.920 -18.433 3.348 1.00 72.21 C ATOM 1195 C GLY A 74 9.213 -19.224 3.317 1.00 53.51 C ATOM 1196 O GLY A 74 9.256 -20.374 3.762 1.00 53.41 O ATOM 0 H GLY A 74 8.562 -16.475 3.720 1.00 42.33 H new ATOM 0 HA2 GLY A 74 7.484 -18.483 4.346 1.00 72.21 H new ATOM 0 HA3 GLY A 74 7.200 -18.880 2.663 1.00 72.21 H new ATOM 1200 N ASP A 75 10.284 -18.599 2.838 1.00 74.32 N ATOM 1201 CA ASP A 75 11.580 -19.253 2.826 1.00 40.23 C ATOM 1202 C ASP A 75 12.109 -19.333 4.246 1.00 33.23 C ATOM 1203 O ASP A 75 11.709 -18.545 5.112 1.00 22.31 O ATOM 1204 CB ASP A 75 12.570 -18.518 1.916 1.00 54.44 C ATOM 1205 CG ASP A 75 13.653 -19.472 1.443 1.00 32.10 C ATOM 1206 OD1 ASP A 75 14.595 -19.692 2.175 1.00 41.44 O ATOM 1207 OD2 ASP A 75 13.522 -19.987 0.349 1.00 43.04 O ATOM 0 H ASP A 75 10.278 -17.652 2.458 1.00 74.32 H new ATOM 0 HA ASP A 75 11.463 -20.259 2.424 1.00 40.23 H new ATOM 0 HB2 ASP A 75 12.045 -18.098 1.058 1.00 54.44 H new ATOM 0 HB3 ASP A 75 13.020 -17.683 2.454 1.00 54.44 H new ATOM 1212 N SER A 76 12.940 -20.312 4.501 1.00 54.11 N ATOM 1213 CA SER A 76 13.465 -20.530 5.840 1.00 54.23 C ATOM 1214 C SER A 76 14.987 -20.652 5.792 1.00 1.51 C ATOM 1215 O SER A 76 15.540 -21.163 4.812 1.00 74.44 O ATOM 1216 CB SER A 76 12.839 -21.805 6.424 1.00 52.41 C ATOM 1217 OG SER A 76 11.521 -21.986 5.871 1.00 21.32 O ATOM 0 H SER A 76 13.273 -20.976 3.802 1.00 54.11 H new ATOM 0 HA SER A 76 13.211 -19.683 6.477 1.00 54.23 H new ATOM 0 HB2 SER A 76 13.464 -22.668 6.195 1.00 52.41 H new ATOM 0 HB3 SER A 76 12.783 -21.732 7.510 1.00 52.41 H new ATOM 0 HG SER A 76 10.933 -21.268 6.186 1.00 21.32 H new ATOM 1223 N ALA A 77 15.664 -20.186 6.838 1.00 33.13 N ATOM 1224 CA ALA A 77 17.124 -20.225 6.876 1.00 74.42 C ATOM 1225 C ALA A 77 17.635 -20.779 8.196 1.00 71.15 C ATOM 1226 O ALA A 77 16.886 -20.895 9.173 1.00 14.41 O ATOM 1227 CB ALA A 77 17.702 -18.825 6.639 1.00 5.24 C ATOM 0 H ALA A 77 15.229 -19.779 7.666 1.00 33.13 H new ATOM 0 HA ALA A 77 17.455 -20.891 6.080 1.00 74.42 H new ATOM 0 HB1 ALA A 77 18.791 -18.871 6.670 1.00 5.24 H new ATOM 0 HB2 ALA A 77 17.382 -18.460 5.663 1.00 5.24 H new ATOM 0 HB3 ALA A 77 17.345 -18.148 7.415 1.00 5.24 H new ATOM 1233 N TYR A 78 18.916 -21.103 8.220 1.00 12.02 N ATOM 1234 CA TYR A 78 19.559 -21.663 9.394 1.00 11.21 C ATOM 1235 C TYR A 78 20.676 -20.744 9.875 1.00 11.53 C ATOM 1236 O TYR A 78 21.587 -20.408 9.110 1.00 70.42 O ATOM 1237 CB TYR A 78 20.125 -23.045 9.040 1.00 33.45 C ATOM 1238 CG TYR A 78 20.814 -23.670 10.233 1.00 43.33 C ATOM 1239 CD1 TYR A 78 22.176 -23.448 10.447 1.00 61.00 C ATOM 1240 CD2 TYR A 78 20.095 -24.479 11.111 1.00 21.22 C ATOM 1241 CE1 TYR A 78 22.814 -24.034 11.532 1.00 1.34 C ATOM 1242 CE2 TYR A 78 20.736 -25.066 12.197 1.00 41.13 C ATOM 1243 CZ TYR A 78 22.098 -24.845 12.408 1.00 43.02 C ATOM 1244 OH TYR A 78 22.744 -25.434 13.477 1.00 40.42 O ATOM 0 H TYR A 78 19.541 -20.984 7.423 1.00 12.02 H new ATOM 0 HA TYR A 78 18.829 -21.761 10.197 1.00 11.21 H new ATOM 0 HB2 TYR A 78 19.320 -23.695 8.699 1.00 33.45 H new ATOM 0 HB3 TYR A 78 20.831 -22.952 8.215 1.00 33.45 H new ATOM 0 HD1 TYR A 78 22.734 -22.820 9.768 1.00 61.00 H new ATOM 0 HD2 TYR A 78 19.041 -24.650 10.948 1.00 21.22 H new ATOM 0 HE1 TYR A 78 23.867 -23.860 11.697 1.00 1.34 H new ATOM 0 HE2 TYR A 78 20.179 -25.693 12.878 1.00 41.13 H new ATOM 0 HH TYR A 78 22.260 -26.243 13.746 1.00 40.42 H new ATOM 1254 N LEU A 79 20.621 -20.365 11.139 1.00 25.24 N ATOM 1255 CA LEU A 79 21.640 -19.520 11.727 1.00 53.21 C ATOM 1256 C LEU A 79 22.394 -20.272 12.802 1.00 53.55 C ATOM 1257 O LEU A 79 21.796 -20.822 13.733 1.00 62.25 O ATOM 1258 CB LEU A 79 21.012 -18.238 12.300 1.00 53.33 C ATOM 1259 CG LEU A 79 22.070 -17.409 13.057 1.00 44.43 C ATOM 1260 CD1 LEU A 79 23.171 -16.960 12.098 1.00 75.51 C ATOM 1261 CD2 LEU A 79 21.405 -16.170 13.665 1.00 71.21 C ATOM 0 H LEU A 79 19.875 -20.632 11.781 1.00 25.24 H new ATOM 0 HA LEU A 79 22.347 -19.236 10.947 1.00 53.21 H new ATOM 0 HB2 LEU A 79 20.585 -17.643 11.493 1.00 53.33 H new ATOM 0 HB3 LEU A 79 20.194 -18.496 12.973 1.00 53.33 H new ATOM 0 HG LEU A 79 22.505 -18.025 13.844 1.00 44.43 H new ATOM 0 HD11 LEU A 79 23.912 -16.376 12.643 1.00 75.51 H new ATOM 0 HD12 LEU A 79 23.650 -17.835 11.659 1.00 75.51 H new ATOM 0 HD13 LEU A 79 22.737 -16.348 11.307 1.00 75.51 H new ATOM 0 HD21 LEU A 79 22.151 -15.583 14.201 1.00 71.21 H new ATOM 0 HD22 LEU A 79 20.968 -15.565 12.871 1.00 71.21 H new ATOM 0 HD23 LEU A 79 20.622 -16.480 14.357 1.00 71.21 H new ATOM 1273 N TYR A 80 23.699 -20.264 12.692 1.00 5.12 N ATOM 1274 CA TYR A 80 24.553 -20.896 13.665 1.00 41.02 C ATOM 1275 C TYR A 80 25.178 -19.834 14.537 1.00 42.44 C ATOM 1276 O TYR A 80 25.832 -18.916 14.023 1.00 55.24 O ATOM 1277 CB TYR A 80 25.649 -21.710 12.941 1.00 20.13 C ATOM 1278 CG TYR A 80 26.652 -22.285 13.925 1.00 72.33 C ATOM 1279 CD1 TYR A 80 26.233 -22.787 15.157 1.00 32.42 C ATOM 1280 CD2 TYR A 80 28.009 -22.316 13.590 1.00 60.13 C ATOM 1281 CE1 TYR A 80 27.163 -23.314 16.049 1.00 4.45 C ATOM 1282 CE2 TYR A 80 28.939 -22.851 14.485 1.00 34.21 C ATOM 1283 CZ TYR A 80 28.516 -23.350 15.714 1.00 1.20 C ATOM 1284 OH TYR A 80 29.432 -23.888 16.601 1.00 2.11 O ATOM 0 H TYR A 80 24.200 -19.818 11.923 1.00 5.12 H new ATOM 0 HA TYR A 80 23.969 -21.573 14.288 1.00 41.02 H new ATOM 0 HB2 TYR A 80 25.189 -22.519 12.374 1.00 20.13 H new ATOM 0 HB3 TYR A 80 26.165 -21.071 12.224 1.00 20.13 H new ATOM 0 HD1 TYR A 80 25.186 -22.767 15.419 1.00 32.42 H new ATOM 0 HD2 TYR A 80 28.339 -21.926 12.638 1.00 60.13 H new ATOM 0 HE1 TYR A 80 26.835 -23.696 17.004 1.00 4.45 H new ATOM 0 HE2 TYR A 80 29.986 -22.877 14.223 1.00 34.21 H new ATOM 0 HH TYR A 80 30.331 -23.837 16.214 1.00 2.11 H new ATOM 1294 N LEU A 81 25.010 -19.962 15.844 1.00 0.03 N ATOM 1295 CA LEU A 81 25.628 -19.026 16.768 1.00 31.14 C ATOM 1296 C LEU A 81 26.818 -19.665 17.432 1.00 52.43 C ATOM 1297 O LEU A 81 26.722 -20.749 18.016 1.00 25.33 O ATOM 1298 CB LEU A 81 24.632 -18.508 17.817 1.00 11.44 C ATOM 1299 CG LEU A 81 23.550 -17.662 17.131 1.00 63.32 C ATOM 1300 CD1 LEU A 81 22.505 -17.229 18.161 1.00 74.33 C ATOM 1301 CD2 LEU A 81 24.186 -16.410 16.516 1.00 62.13 C ATOM 0 H LEU A 81 24.457 -20.697 16.285 1.00 0.03 H new ATOM 0 HA LEU A 81 25.962 -18.163 16.192 1.00 31.14 H new ATOM 0 HB2 LEU A 81 24.173 -19.346 18.342 1.00 11.44 H new ATOM 0 HB3 LEU A 81 25.154 -17.911 18.565 1.00 11.44 H new ATOM 0 HG LEU A 81 23.076 -18.258 16.351 1.00 63.32 H new ATOM 0 HD11 LEU A 81 21.738 -16.629 17.671 1.00 74.33 H new ATOM 0 HD12 LEU A 81 22.045 -18.111 18.606 1.00 74.33 H new ATOM 0 HD13 LEU A 81 22.986 -16.638 18.941 1.00 74.33 H new ATOM 0 HD21 LEU A 81 23.415 -15.812 16.030 1.00 62.13 H new ATOM 0 HD22 LEU A 81 24.662 -15.821 17.300 1.00 62.13 H new ATOM 0 HD23 LEU A 81 24.934 -16.706 15.780 1.00 62.13 H new ATOM 1313 N LEU A 82 27.945 -19.015 17.285 1.00 41.20 N ATOM 1314 CA LEU A 82 29.203 -19.522 17.792 1.00 33.24 C ATOM 1315 C LEU A 82 29.322 -19.319 19.275 1.00 52.35 C ATOM 1316 O LEU A 82 28.631 -18.487 19.857 1.00 61.23 O ATOM 1317 CB LEU A 82 30.389 -18.883 17.064 1.00 34.41 C ATOM 1318 CG LEU A 82 30.678 -19.670 15.778 1.00 5.31 C ATOM 1319 CD1 LEU A 82 29.407 -19.755 14.930 1.00 4.22 C ATOM 1320 CD2 LEU A 82 31.767 -18.955 14.984 1.00 74.54 C ATOM 0 H LEU A 82 28.020 -18.116 16.809 1.00 41.20 H new ATOM 0 HA LEU A 82 29.221 -20.595 17.599 1.00 33.24 H new ATOM 0 HB2 LEU A 82 30.167 -17.843 16.825 1.00 34.41 H new ATOM 0 HB3 LEU A 82 31.268 -18.881 17.708 1.00 34.41 H new ATOM 0 HG LEU A 82 31.009 -20.676 16.035 1.00 5.31 H new ATOM 0 HD11 LEU A 82 29.615 -20.314 14.018 1.00 4.22 H new ATOM 0 HD12 LEU A 82 28.625 -20.262 15.496 1.00 4.22 H new ATOM 0 HD13 LEU A 82 29.074 -18.750 14.671 1.00 4.22 H new ATOM 0 HD21 LEU A 82 31.975 -19.511 14.070 1.00 74.54 H new ATOM 0 HD22 LEU A 82 31.431 -17.950 14.729 1.00 74.54 H new ATOM 0 HD23 LEU A 82 32.674 -18.893 15.585 1.00 74.54 H new