USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=17 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 Single : A 11 SER OG : rot 142:sc= 1.37 USER MOD Single : A 16 GLN : amide:sc= -0.0859 X(o=-0.086,f=-0.17) USER MOD Single : A 17 MET CE :methyl 156:sc= -0.0777 (180deg=-0.811) USER MOD Single : A 18 HIS : no HD1:sc= -1.99 K(o=-2,f=-7.3!) USER MOD Single : A 19 THR OG1 : rot -1:sc= 0.611 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 30 MET CE :methyl 148:sc= -2.79! (180deg=-4.25!) USER MOD Single : A 31 THR OG1 : rot -124:sc= 1.12 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 169:sc= 0.498! (180deg=-0.157!) USER MOD Single : A 38 MET CE :methyl -143:sc= -7.82! (180deg=-13.3!) USER MOD Single : A 43 TYR OH : rot 113:sc= 0.135 USER MOD Single : A 50 GLN : amide:sc= -1.27! C(o=-1.3!,f=-5.6!) USER MOD Single : A 51 GLN : amide:sc= -0.191 X(o=-0.19,f=-0.33) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.00487 USER MOD Single : A 66 HIS : no HE2:sc= -0.473 K(o=-0.47,f=-2.1) USER MOD Single : A 67 SER OG : rot 150:sc= 1.1 USER MOD Single : A 68 HIS : no HD1:sc= -2.12 K(o=-2.1,f=-10!) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 ASN : amide:sc= -0.314! C(o=-0.31!,f=-8.5!) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 106:sc= 1.16 USER MOD ----------------------------------------------------------------- ATOM 65 N ASP A 5 8.456 -5.935 1.605 1.00 70.34 N ATOM 66 CA ASP A 5 9.473 -6.906 1.966 1.00 52.01 C ATOM 67 C ASP A 5 8.819 -8.262 2.094 1.00 14.04 C ATOM 68 O ASP A 5 7.594 -8.361 2.047 1.00 34.30 O ATOM 69 CB ASP A 5 10.122 -6.526 3.304 1.00 72.04 C ATOM 70 CG ASP A 5 11.021 -5.324 3.129 1.00 32.43 C ATOM 71 OD1 ASP A 5 10.515 -4.266 2.833 1.00 63.22 O ATOM 72 OD2 ASP A 5 12.207 -5.471 3.271 1.00 71.24 O ATOM 0 HA ASP A 5 10.245 -6.927 1.197 1.00 52.01 H new ATOM 0 HB2 ASP A 5 9.350 -6.307 4.041 1.00 72.04 H new ATOM 0 HB3 ASP A 5 10.699 -7.367 3.688 1.00 72.04 H new ATOM 77 N ILE A 6 9.610 -9.289 2.306 1.00 61.21 N ATOM 78 CA ILE A 6 9.069 -10.619 2.503 1.00 73.32 C ATOM 79 C ILE A 6 9.587 -11.202 3.804 1.00 11.45 C ATOM 80 O ILE A 6 10.599 -10.740 4.345 1.00 13.11 O ATOM 81 CB ILE A 6 9.421 -11.539 1.321 1.00 22.15 C ATOM 82 CG1 ILE A 6 10.942 -11.715 1.206 1.00 42.14 C ATOM 83 CG2 ILE A 6 8.898 -10.916 0.022 1.00 61.31 C ATOM 84 CD1 ILE A 6 11.251 -12.818 0.199 1.00 10.12 C ATOM 0 H ILE A 6 10.628 -9.232 2.347 1.00 61.21 H new ATOM 0 HA ILE A 6 7.983 -10.545 2.556 1.00 73.32 H new ATOM 0 HB ILE A 6 8.961 -12.513 1.490 1.00 22.15 H new ATOM 0 HG12 ILE A 6 11.404 -10.780 0.890 1.00 42.14 H new ATOM 0 HG13 ILE A 6 11.364 -11.967 2.179 1.00 42.14 H new ATOM 0 HG21 ILE A 6 9.145 -11.565 -0.818 1.00 61.31 H new ATOM 0 HG22 ILE A 6 7.816 -10.800 0.084 1.00 61.31 H new ATOM 0 HG23 ILE A 6 9.360 -9.940 -0.125 1.00 61.31 H new ATOM 0 HD11 ILE A 6 12.331 -12.944 0.117 1.00 10.12 H new ATOM 0 HD12 ILE A 6 10.801 -13.753 0.534 1.00 10.12 H new ATOM 0 HD13 ILE A 6 10.842 -12.547 -0.774 1.00 10.12 H new ATOM 96 N ARG A 7 8.867 -12.176 4.332 1.00 43.32 N ATOM 97 CA ARG A 7 9.233 -12.782 5.602 1.00 44.44 C ATOM 98 C ARG A 7 10.176 -13.946 5.377 1.00 14.40 C ATOM 99 O ARG A 7 9.840 -14.894 4.659 1.00 73.14 O ATOM 100 CB ARG A 7 7.986 -13.293 6.316 1.00 13.53 C ATOM 101 CG ARG A 7 7.021 -12.134 6.583 1.00 74.33 C ATOM 102 CD ARG A 7 5.757 -12.698 7.225 1.00 62.21 C ATOM 103 NE ARG A 7 5.064 -13.565 6.271 1.00 62.41 N ATOM 104 CZ ARG A 7 4.042 -14.334 6.630 1.00 20.20 C ATOM 105 NH1 ARG A 7 3.605 -14.293 7.852 1.00 41.23 N ATOM 106 NH2 ARG A 7 3.482 -15.118 5.750 1.00 33.44 N ATOM 0 H ARG A 7 8.027 -12.564 3.903 1.00 43.32 H new ATOM 0 HA ARG A 7 9.726 -12.025 6.212 1.00 44.44 H new ATOM 0 HB2 ARG A 7 7.495 -14.053 5.708 1.00 13.53 H new ATOM 0 HB3 ARG A 7 8.265 -13.768 7.256 1.00 13.53 H new ATOM 0 HG2 ARG A 7 7.484 -11.398 7.240 1.00 74.33 H new ATOM 0 HG3 ARG A 7 6.777 -11.621 5.652 1.00 74.33 H new ATOM 0 HD2 ARG A 7 6.013 -13.261 8.123 1.00 62.21 H new ATOM 0 HD3 ARG A 7 5.101 -11.885 7.535 1.00 62.21 H new ATOM 0 HE ARG A 7 5.376 -13.579 5.300 1.00 62.41 H new ATOM 0 HH11 ARG A 7 4.046 -13.672 8.531 1.00 41.23 H new ATOM 0 HH12 ARG A 7 2.821 -14.881 8.133 1.00 41.23 H new ATOM 0 HH21 ARG A 7 3.829 -15.139 4.791 1.00 33.44 H new ATOM 0 HH22 ARG A 7 2.697 -15.710 6.021 1.00 33.44 H new ATOM 120 N LEU A 8 11.299 -13.909 6.059 1.00 14.31 N ATOM 121 CA LEU A 8 12.278 -14.977 6.030 1.00 32.33 C ATOM 122 C LEU A 8 12.381 -15.603 7.406 1.00 71.45 C ATOM 123 O LEU A 8 12.582 -14.893 8.407 1.00 32.14 O ATOM 124 CB LEU A 8 13.654 -14.420 5.601 1.00 51.41 C ATOM 125 CG LEU A 8 14.772 -15.448 5.877 1.00 41.23 C ATOM 126 CD1 LEU A 8 14.584 -16.690 5.002 1.00 43.15 C ATOM 127 CD2 LEU A 8 16.134 -14.815 5.577 1.00 70.54 C ATOM 0 H LEU A 8 11.563 -13.127 6.658 1.00 14.31 H new ATOM 0 HA LEU A 8 11.965 -15.734 5.311 1.00 32.33 H new ATOM 0 HB2 LEU A 8 13.636 -14.172 4.540 1.00 51.41 H new ATOM 0 HB3 LEU A 8 13.862 -13.496 6.141 1.00 51.41 H new ATOM 0 HG LEU A 8 14.725 -15.745 6.925 1.00 41.23 H new ATOM 0 HD11 LEU A 8 15.380 -17.405 5.209 1.00 43.15 H new ATOM 0 HD12 LEU A 8 13.620 -17.148 5.222 1.00 43.15 H new ATOM 0 HD13 LEU A 8 14.618 -16.403 3.951 1.00 43.15 H new ATOM 0 HD21 LEU A 8 16.923 -15.541 5.772 1.00 70.54 H new ATOM 0 HD22 LEU A 8 16.171 -14.510 4.531 1.00 70.54 H new ATOM 0 HD23 LEU A 8 16.278 -13.942 6.214 1.00 70.54 H new ATOM 139 N TRP A 9 12.312 -16.919 7.461 1.00 31.14 N ATOM 140 CA TRP A 9 12.498 -17.622 8.715 1.00 63.14 C ATOM 141 C TRP A 9 13.928 -18.071 8.810 1.00 61.44 C ATOM 142 O TRP A 9 14.480 -18.594 7.840 1.00 73.50 O ATOM 143 CB TRP A 9 11.603 -18.856 8.793 1.00 41.11 C ATOM 144 CG TRP A 9 10.200 -18.515 8.437 1.00 41.10 C ATOM 145 CD1 TRP A 9 9.567 -17.366 8.750 1.00 3.20 C ATOM 146 CD2 TRP A 9 9.253 -19.317 7.699 1.00 21.14 C ATOM 147 NE1 TRP A 9 8.279 -17.429 8.255 1.00 72.32 N ATOM 148 CE2 TRP A 9 8.040 -18.610 7.597 1.00 32.42 C ATOM 149 CE3 TRP A 9 9.333 -20.586 7.114 1.00 61.33 C ATOM 150 CZ2 TRP A 9 6.938 -19.142 6.939 1.00 2.34 C ATOM 151 CZ3 TRP A 9 8.233 -21.127 6.447 1.00 53.55 C ATOM 152 CH2 TRP A 9 7.035 -20.405 6.358 1.00 21.20 C ATOM 0 H TRP A 9 12.130 -17.520 6.657 1.00 31.14 H new ATOM 0 HA TRP A 9 12.240 -16.946 9.530 1.00 63.14 H new ATOM 0 HB2 TRP A 9 11.977 -19.625 8.118 1.00 41.11 H new ATOM 0 HB3 TRP A 9 11.636 -19.272 9.800 1.00 41.11 H new ATOM 0 HD1 TRP A 9 9.995 -16.537 9.295 1.00 3.20 H new ATOM 0 HE1 TRP A 9 7.588 -16.687 8.365 1.00 72.32 H new ATOM 0 HE3 TRP A 9 10.252 -21.150 7.179 1.00 61.33 H new ATOM 0 HZ2 TRP A 9 6.016 -18.583 6.878 1.00 2.34 H new ATOM 0 HZ3 TRP A 9 8.305 -22.106 5.997 1.00 53.55 H new ATOM 0 HH2 TRP A 9 6.187 -20.827 5.839 1.00 21.20 H new ATOM 163 N VAL A 10 14.517 -17.930 9.965 1.00 73.13 N ATOM 164 CA VAL A 10 15.869 -18.388 10.142 1.00 21.41 C ATOM 165 C VAL A 10 15.928 -19.391 11.271 1.00 54.12 C ATOM 166 O VAL A 10 15.546 -19.085 12.409 1.00 12.11 O ATOM 167 CB VAL A 10 16.798 -17.199 10.425 1.00 41.13 C ATOM 168 CG1 VAL A 10 18.253 -17.675 10.512 1.00 72.42 C ATOM 169 CG2 VAL A 10 16.658 -16.163 9.304 1.00 2.31 C ATOM 0 H VAL A 10 14.090 -17.507 10.789 1.00 73.13 H new ATOM 0 HA VAL A 10 16.204 -18.874 9.226 1.00 21.41 H new ATOM 0 HB VAL A 10 16.518 -16.746 11.376 1.00 41.13 H new ATOM 0 HG11 VAL A 10 18.903 -16.823 10.713 1.00 72.42 H new ATOM 0 HG12 VAL A 10 18.350 -18.403 11.317 1.00 72.42 H new ATOM 0 HG13 VAL A 10 18.542 -18.137 9.568 1.00 72.42 H new ATOM 0 HG21 VAL A 10 17.317 -15.319 9.505 1.00 2.31 H new ATOM 0 HG22 VAL A 10 16.931 -16.618 8.352 1.00 2.31 H new ATOM 0 HG23 VAL A 10 15.626 -15.815 9.257 1.00 2.31 H new ATOM 179 N SER A 11 16.495 -20.547 10.985 1.00 71.44 N ATOM 180 CA SER A 11 16.718 -21.534 12.011 1.00 32.15 C ATOM 181 C SER A 11 17.953 -21.115 12.772 1.00 55.14 C ATOM 182 O SER A 11 19.007 -20.904 12.161 1.00 33.30 O ATOM 183 CB SER A 11 16.946 -22.909 11.377 1.00 73.42 C ATOM 184 OG SER A 11 16.092 -23.059 10.231 1.00 53.13 O ATOM 0 H SER A 11 16.807 -20.821 10.053 1.00 71.44 H new ATOM 0 HA SER A 11 15.854 -21.603 12.673 1.00 32.15 H new ATOM 0 HB2 SER A 11 17.990 -23.016 11.082 1.00 73.42 H new ATOM 0 HB3 SER A 11 16.738 -23.695 12.103 1.00 73.42 H new ATOM 0 HG SER A 11 16.576 -23.531 9.522 1.00 53.13 H new ATOM 190 N VAL A 12 17.828 -20.930 14.069 1.00 44.50 N ATOM 191 CA VAL A 12 18.947 -20.457 14.848 1.00 65.33 C ATOM 192 C VAL A 12 19.353 -21.497 15.874 1.00 31.54 C ATOM 193 O VAL A 12 18.531 -21.958 16.656 1.00 45.10 O ATOM 194 CB VAL A 12 18.582 -19.126 15.542 1.00 22.42 C ATOM 195 CG1 VAL A 12 19.661 -18.740 16.562 1.00 53.10 C ATOM 196 CG2 VAL A 12 18.454 -18.012 14.498 1.00 44.14 C ATOM 0 H VAL A 12 16.973 -21.098 14.599 1.00 44.50 H new ATOM 0 HA VAL A 12 19.792 -20.284 14.182 1.00 65.33 H new ATOM 0 HB VAL A 12 17.631 -19.256 16.059 1.00 22.42 H new ATOM 0 HG11 VAL A 12 19.388 -17.800 17.042 1.00 53.10 H new ATOM 0 HG12 VAL A 12 19.745 -19.522 17.317 1.00 53.10 H new ATOM 0 HG13 VAL A 12 20.618 -18.623 16.053 1.00 53.10 H new ATOM 0 HG21 VAL A 12 18.196 -17.076 14.994 1.00 44.14 H new ATOM 0 HG22 VAL A 12 19.402 -17.895 13.972 1.00 44.14 H new ATOM 0 HG23 VAL A 12 17.673 -18.271 13.784 1.00 44.14 H new ATOM 206 N GLU A 13 20.639 -21.803 15.912 1.00 65.32 N ATOM 207 CA GLU A 13 21.179 -22.690 16.927 1.00 15.40 C ATOM 208 C GLU A 13 22.113 -21.911 17.814 1.00 23.23 C ATOM 209 O GLU A 13 23.160 -21.436 17.355 1.00 42.34 O ATOM 210 CB GLU A 13 21.941 -23.859 16.289 1.00 20.03 C ATOM 211 CG GLU A 13 21.119 -25.156 16.396 1.00 1.01 C ATOM 212 CD GLU A 13 21.418 -25.863 17.718 1.00 64.42 C ATOM 213 OE1 GLU A 13 22.575 -26.091 18.011 1.00 34.31 O ATOM 214 OE2 GLU A 13 20.481 -26.185 18.412 1.00 14.21 O ATOM 0 H GLU A 13 21.329 -21.449 15.250 1.00 65.32 H new ATOM 0 HA GLU A 13 20.352 -23.096 17.510 1.00 15.40 H new ATOM 0 HB2 GLU A 13 22.149 -23.638 15.242 1.00 20.03 H new ATOM 0 HB3 GLU A 13 22.903 -23.988 16.785 1.00 20.03 H new ATOM 0 HG2 GLU A 13 20.055 -24.927 16.330 1.00 1.01 H new ATOM 0 HG3 GLU A 13 21.356 -25.815 15.561 1.00 1.01 H new ATOM 221 N ASP A 14 21.757 -21.789 19.079 1.00 22.33 N ATOM 222 CA ASP A 14 22.609 -21.090 20.017 1.00 31.53 C ATOM 223 C ASP A 14 23.847 -21.915 20.263 1.00 2.03 C ATOM 224 O ASP A 14 23.780 -23.144 20.270 1.00 12.43 O ATOM 225 CB ASP A 14 21.896 -20.829 21.352 1.00 1.42 C ATOM 226 CG ASP A 14 22.678 -19.823 22.203 1.00 22.13 C ATOM 227 OD1 ASP A 14 23.764 -19.445 21.822 1.00 34.20 O ATOM 228 OD2 ASP A 14 22.171 -19.441 23.235 1.00 24.52 O ATOM 0 H ASP A 14 20.894 -22.161 19.476 1.00 22.33 H new ATOM 0 HA ASP A 14 22.870 -20.124 19.585 1.00 31.53 H new ATOM 0 HB2 ASP A 14 20.892 -20.449 21.164 1.00 1.42 H new ATOM 0 HB3 ASP A 14 21.785 -21.765 21.899 1.00 1.42 H new ATOM 233 N ALA A 15 24.934 -21.259 20.587 1.00 64.23 N ATOM 234 CA ALA A 15 26.156 -21.958 20.937 1.00 62.10 C ATOM 235 C ALA A 15 25.872 -22.919 22.065 1.00 0.30 C ATOM 236 O ALA A 15 26.543 -23.936 22.219 1.00 4.10 O ATOM 237 CB ALA A 15 27.233 -20.981 21.360 1.00 72.21 C ATOM 0 H ALA A 15 25.002 -20.242 20.617 1.00 64.23 H new ATOM 0 HA ALA A 15 26.511 -22.503 20.063 1.00 62.10 H new ATOM 0 HB1 ALA A 15 28.140 -21.528 21.618 1.00 72.21 H new ATOM 0 HB2 ALA A 15 27.444 -20.295 20.540 1.00 72.21 H new ATOM 0 HB3 ALA A 15 26.891 -20.416 22.227 1.00 72.21 H new ATOM 243 N GLN A 16 24.810 -22.632 22.791 1.00 3.31 N ATOM 244 CA GLN A 16 24.347 -23.501 23.857 1.00 70.51 C ATOM 245 C GLN A 16 23.820 -24.806 23.252 1.00 44.44 C ATOM 246 O GLN A 16 23.221 -25.629 23.945 1.00 43.52 O ATOM 247 CB GLN A 16 23.215 -22.811 24.635 1.00 25.04 C ATOM 248 CG GLN A 16 23.681 -21.443 25.152 1.00 60.51 C ATOM 249 CD GLN A 16 24.824 -21.607 26.136 1.00 52.33 C ATOM 250 OE1 GLN A 16 24.706 -22.366 27.098 1.00 42.31 O ATOM 251 NE2 GLN A 16 25.920 -20.937 25.965 1.00 32.13 N ATOM 0 H GLN A 16 24.245 -21.793 22.660 1.00 3.31 H new ATOM 0 HA GLN A 16 25.174 -23.714 24.534 1.00 70.51 H new ATOM 0 HB2 GLN A 16 22.345 -22.687 23.990 1.00 25.04 H new ATOM 0 HB3 GLN A 16 22.905 -23.437 25.472 1.00 25.04 H new ATOM 0 HG2 GLN A 16 24.000 -20.821 24.316 1.00 60.51 H new ATOM 0 HG3 GLN A 16 22.850 -20.928 25.634 1.00 60.51 H new ATOM 0 HE21 GLN A 16 26.015 -20.309 25.167 1.00 32.13 H new ATOM 0 HE22 GLN A 16 26.688 -21.038 26.629 1.00 32.13 H new ATOM 260 N MET A 17 23.892 -24.900 21.930 1.00 5.31 N ATOM 261 CA MET A 17 23.313 -26.004 21.192 1.00 12.12 C ATOM 262 C MET A 17 21.819 -26.043 21.419 1.00 54.32 C ATOM 263 O MET A 17 21.237 -27.086 21.749 1.00 30.13 O ATOM 264 CB MET A 17 23.976 -27.336 21.558 1.00 21.12 C ATOM 265 CG MET A 17 25.438 -27.318 21.081 1.00 2.23 C ATOM 266 SD MET A 17 26.250 -28.874 21.536 1.00 25.23 S ATOM 267 CE MET A 17 25.381 -29.948 20.364 1.00 74.04 C ATOM 0 H MET A 17 24.356 -24.208 21.342 1.00 5.31 H new ATOM 0 HA MET A 17 23.497 -25.847 20.129 1.00 12.12 H new ATOM 0 HB2 MET A 17 23.934 -27.493 22.636 1.00 21.12 H new ATOM 0 HB3 MET A 17 23.439 -28.163 21.094 1.00 21.12 H new ATOM 0 HG2 MET A 17 25.476 -27.179 20.001 1.00 2.23 H new ATOM 0 HG3 MET A 17 25.966 -26.477 21.529 1.00 2.23 H new ATOM 0 HE1 MET A 17 25.987 -30.831 20.161 1.00 74.04 H new ATOM 0 HE2 MET A 17 24.425 -30.254 20.790 1.00 74.04 H new ATOM 0 HE3 MET A 17 25.207 -29.406 19.434 1.00 74.04 H new ATOM 277 N HIS A 18 21.209 -24.882 21.265 1.00 43.51 N ATOM 278 CA HIS A 18 19.773 -24.709 21.402 1.00 22.43 C ATOM 279 C HIS A 18 19.218 -24.188 20.086 1.00 34.12 C ATOM 280 O HIS A 18 19.635 -23.126 19.617 1.00 31.44 O ATOM 281 CB HIS A 18 19.465 -23.691 22.512 1.00 70.50 C ATOM 282 CG HIS A 18 19.676 -24.298 23.880 1.00 40.41 C ATOM 283 ND1 HIS A 18 20.721 -25.165 24.174 1.00 0.13 N ATOM 284 CD2 HIS A 18 18.976 -24.153 25.050 1.00 21.11 C ATOM 285 CE1 HIS A 18 20.610 -25.505 25.477 1.00 21.41 C ATOM 286 NE2 HIS A 18 19.562 -24.914 26.057 1.00 74.45 N ATOM 0 H HIS A 18 21.704 -24.020 21.038 1.00 43.51 H new ATOM 0 HA HIS A 18 19.317 -25.665 21.659 1.00 22.43 H new ATOM 0 HB2 HIS A 18 20.105 -22.817 22.396 1.00 70.50 H new ATOM 0 HB3 HIS A 18 18.435 -23.346 22.418 1.00 70.50 H new ATOM 0 HD2 HIS A 18 18.097 -23.537 25.172 1.00 21.11 H new ATOM 0 HE1 HIS A 18 21.287 -26.174 25.988 1.00 21.41 H new ATOM 0 HE2 HIS A 18 19.258 -25.001 27.027 1.00 74.45 H new ATOM 295 N THR A 19 18.289 -24.923 19.487 1.00 71.41 N ATOM 296 CA THR A 19 17.707 -24.516 18.219 1.00 41.11 C ATOM 297 C THR A 19 16.498 -23.617 18.461 1.00 2.13 C ATOM 298 O THR A 19 15.525 -24.033 19.105 1.00 64.45 O ATOM 299 CB THR A 19 17.292 -25.757 17.410 1.00 2.14 C ATOM 300 OG1 THR A 19 18.378 -26.690 17.355 1.00 11.24 O ATOM 301 CG2 THR A 19 16.907 -25.344 15.984 1.00 20.53 C ATOM 0 H THR A 19 17.925 -25.800 19.859 1.00 71.41 H new ATOM 0 HA THR A 19 18.451 -23.957 17.651 1.00 41.11 H new ATOM 0 HB THR A 19 16.437 -26.225 17.897 1.00 2.14 H new ATOM 0 HG1 THR A 19 19.150 -26.322 17.834 1.00 11.24 H new ATOM 0 HG21 THR A 19 16.614 -26.227 15.416 1.00 20.53 H new ATOM 0 HG22 THR A 19 16.073 -24.643 16.021 1.00 20.53 H new ATOM 0 HG23 THR A 19 17.760 -24.868 15.500 1.00 20.53 H new ATOM 309 N VAL A 20 16.538 -22.418 17.915 1.00 62.44 N ATOM 310 CA VAL A 20 15.443 -21.473 18.041 1.00 2.05 C ATOM 311 C VAL A 20 15.091 -20.884 16.677 1.00 1.51 C ATOM 312 O VAL A 20 15.869 -21.003 15.716 1.00 15.42 O ATOM 313 CB VAL A 20 15.797 -20.365 19.049 1.00 22.23 C ATOM 314 CG1 VAL A 20 16.086 -20.995 20.417 1.00 41.33 C ATOM 315 CG2 VAL A 20 17.037 -19.594 18.581 1.00 52.53 C ATOM 0 H VAL A 20 17.328 -22.070 17.372 1.00 62.44 H new ATOM 0 HA VAL A 20 14.568 -22.001 18.419 1.00 2.05 H new ATOM 0 HB VAL A 20 14.955 -19.676 19.124 1.00 22.23 H new ATOM 0 HG11 VAL A 20 16.337 -20.212 21.132 1.00 41.33 H new ATOM 0 HG12 VAL A 20 15.204 -21.534 20.763 1.00 41.33 H new ATOM 0 HG13 VAL A 20 16.923 -21.688 20.329 1.00 41.33 H new ATOM 0 HG21 VAL A 20 17.275 -18.814 19.304 1.00 52.53 H new ATOM 0 HG22 VAL A 20 17.881 -20.279 18.496 1.00 52.53 H new ATOM 0 HG23 VAL A 20 16.838 -19.140 17.610 1.00 52.53 H new ATOM 325 N THR A 21 13.915 -20.303 16.578 1.00 63.53 N ATOM 326 CA THR A 21 13.433 -19.759 15.327 1.00 44.25 C ATOM 327 C THR A 21 13.249 -18.253 15.441 1.00 12.41 C ATOM 328 O THR A 21 12.657 -17.764 16.412 1.00 11.33 O ATOM 329 CB THR A 21 12.092 -20.415 14.962 1.00 65.22 C ATOM 330 OG1 THR A 21 12.228 -21.837 15.006 1.00 25.54 O ATOM 331 CG2 THR A 21 11.667 -19.992 13.551 1.00 10.42 C ATOM 0 H THR A 21 13.268 -20.195 17.359 1.00 63.53 H new ATOM 0 HA THR A 21 14.166 -19.967 14.548 1.00 44.25 H new ATOM 0 HB THR A 21 11.335 -20.094 15.677 1.00 65.22 H new ATOM 0 HG1 THR A 21 11.372 -22.255 14.775 1.00 25.54 H new ATOM 0 HG21 THR A 21 10.716 -20.462 13.301 1.00 10.42 H new ATOM 0 HG22 THR A 21 11.557 -18.908 13.514 1.00 10.42 H new ATOM 0 HG23 THR A 21 12.426 -20.305 12.833 1.00 10.42 H new ATOM 339 N ILE A 22 13.701 -17.526 14.433 1.00 41.12 N ATOM 340 CA ILE A 22 13.483 -16.094 14.373 1.00 63.41 C ATOM 341 C ILE A 22 12.866 -15.735 13.031 1.00 15.43 C ATOM 342 O ILE A 22 13.053 -16.457 12.038 1.00 50.41 O ATOM 343 CB ILE A 22 14.796 -15.322 14.595 1.00 35.34 C ATOM 344 CG1 ILE A 22 15.802 -15.669 13.490 1.00 65.05 C ATOM 345 CG2 ILE A 22 15.389 -15.687 15.960 1.00 31.40 C ATOM 346 CD1 ILE A 22 17.041 -14.783 13.625 1.00 75.44 C ATOM 0 H ILE A 22 14.223 -17.907 13.644 1.00 41.12 H new ATOM 0 HA ILE A 22 12.799 -15.808 15.172 1.00 63.41 H new ATOM 0 HB ILE A 22 14.586 -14.253 14.566 1.00 35.34 H new ATOM 0 HG12 ILE A 22 16.085 -16.719 13.559 1.00 65.05 H new ATOM 0 HG13 ILE A 22 15.345 -15.526 12.511 1.00 65.05 H new ATOM 0 HG21 ILE A 22 16.318 -15.138 16.112 1.00 31.40 H new ATOM 0 HG22 ILE A 22 14.681 -15.426 16.746 1.00 31.40 H new ATOM 0 HG23 ILE A 22 15.591 -16.758 15.995 1.00 31.40 H new ATOM 0 HD11 ILE A 22 17.754 -15.032 12.839 1.00 75.44 H new ATOM 0 HD12 ILE A 22 16.751 -13.736 13.534 1.00 75.44 H new ATOM 0 HD13 ILE A 22 17.502 -14.949 14.599 1.00 75.44 H new ATOM 358 N TRP A 23 12.123 -14.648 13.002 1.00 51.20 N ATOM 359 CA TRP A 23 11.460 -14.209 11.789 1.00 45.54 C ATOM 360 C TRP A 23 12.060 -12.906 11.316 1.00 3.15 C ATOM 361 O TRP A 23 12.154 -11.946 12.084 1.00 71.12 O ATOM 362 CB TRP A 23 9.953 -14.038 12.043 1.00 14.21 C ATOM 363 CG TRP A 23 9.349 -15.378 12.336 1.00 32.22 C ATOM 364 CD1 TRP A 23 8.609 -16.103 11.472 1.00 44.21 C ATOM 365 CD2 TRP A 23 9.429 -16.164 13.561 1.00 53.12 C ATOM 366 NE1 TRP A 23 8.241 -17.288 12.083 1.00 24.00 N ATOM 367 CE2 TRP A 23 8.722 -17.371 13.370 1.00 64.15 C ATOM 368 CE3 TRP A 23 10.049 -15.951 14.800 1.00 72.44 C ATOM 369 CZ2 TRP A 23 8.630 -18.332 14.378 1.00 24.32 C ATOM 370 CZ3 TRP A 23 9.955 -16.911 15.817 1.00 74.51 C ATOM 371 CH2 TRP A 23 9.249 -18.101 15.605 1.00 12.23 C ATOM 0 H TRP A 23 11.962 -14.048 13.811 1.00 51.20 H new ATOM 0 HA TRP A 23 11.601 -14.964 11.015 1.00 45.54 H new ATOM 0 HB2 TRP A 23 9.788 -13.360 12.880 1.00 14.21 H new ATOM 0 HB3 TRP A 23 9.473 -13.592 11.172 1.00 14.21 H new ATOM 0 HD1 TRP A 23 8.347 -15.807 10.467 1.00 44.21 H new ATOM 0 HE1 TRP A 23 7.681 -18.013 11.634 1.00 24.00 H new ATOM 0 HE3 TRP A 23 10.603 -15.040 14.972 1.00 72.44 H new ATOM 0 HZ2 TRP A 23 8.083 -19.248 14.208 1.00 24.32 H new ATOM 0 HZ3 TRP A 23 10.430 -16.731 16.770 1.00 74.51 H new ATOM 0 HH2 TRP A 23 9.184 -18.839 16.391 1.00 12.23 H new ATOM 382 N LEU A 24 12.468 -12.868 10.060 1.00 44.10 N ATOM 383 CA LEU A 24 13.052 -11.668 9.486 1.00 40.20 C ATOM 384 C LEU A 24 12.218 -11.226 8.303 1.00 52.40 C ATOM 385 O LEU A 24 11.876 -12.042 7.450 1.00 21.24 O ATOM 386 CB LEU A 24 14.486 -11.956 9.009 1.00 70.54 C ATOM 387 CG LEU A 24 15.331 -12.507 10.174 1.00 40.03 C ATOM 388 CD1 LEU A 24 16.725 -12.869 9.667 1.00 42.21 C ATOM 389 CD2 LEU A 24 15.468 -11.456 11.279 1.00 21.54 C ATOM 0 H LEU A 24 12.406 -13.657 9.416 1.00 44.10 H new ATOM 0 HA LEU A 24 13.075 -10.884 10.243 1.00 40.20 H new ATOM 0 HB2 LEU A 24 14.468 -12.676 8.191 1.00 70.54 H new ATOM 0 HB3 LEU A 24 14.939 -11.044 8.621 1.00 70.54 H new ATOM 0 HG LEU A 24 14.834 -13.390 10.575 1.00 40.03 H new ATOM 0 HD11 LEU A 24 17.322 -13.259 10.491 1.00 42.21 H new ATOM 0 HD12 LEU A 24 16.643 -13.627 8.888 1.00 42.21 H new ATOM 0 HD13 LEU A 24 17.206 -11.980 9.259 1.00 42.21 H new ATOM 0 HD21 LEU A 24 16.068 -11.861 12.094 1.00 21.54 H new ATOM 0 HD22 LEU A 24 15.955 -10.567 10.877 1.00 21.54 H new ATOM 0 HD23 LEU A 24 14.479 -11.190 11.653 1.00 21.54 H new ATOM 401 N THR A 25 11.962 -9.940 8.192 1.00 32.11 N ATOM 402 CA THR A 25 11.268 -9.428 7.028 1.00 20.03 C ATOM 403 C THR A 25 12.229 -8.583 6.200 1.00 15.11 C ATOM 404 O THR A 25 12.788 -7.599 6.695 1.00 30.42 O ATOM 405 CB THR A 25 10.054 -8.588 7.432 1.00 11.33 C ATOM 406 OG1 THR A 25 9.362 -9.225 8.513 1.00 74.12 O ATOM 407 CG2 THR A 25 9.100 -8.466 6.232 1.00 51.01 C ATOM 0 H THR A 25 12.220 -9.236 8.884 1.00 32.11 H new ATOM 0 HA THR A 25 10.912 -10.272 6.438 1.00 20.03 H new ATOM 0 HB THR A 25 10.389 -7.599 7.745 1.00 11.33 H new ATOM 0 HG1 THR A 25 8.587 -8.683 8.770 1.00 74.12 H new ATOM 0 HG21 THR A 25 8.234 -7.868 6.515 1.00 51.01 H new ATOM 0 HG22 THR A 25 9.618 -7.984 5.403 1.00 51.01 H new ATOM 0 HG23 THR A 25 8.771 -9.459 5.926 1.00 51.01 H new ATOM 415 N VAL A 26 12.437 -8.992 4.965 1.00 24.42 N ATOM 416 CA VAL A 26 13.327 -8.308 4.039 1.00 0.53 C ATOM 417 C VAL A 26 12.859 -8.563 2.628 1.00 14.44 C ATOM 418 O VAL A 26 12.036 -9.439 2.407 1.00 61.52 O ATOM 419 CB VAL A 26 14.773 -8.809 4.197 1.00 60.45 C ATOM 420 CG1 VAL A 26 15.327 -8.378 5.550 1.00 14.20 C ATOM 421 CG2 VAL A 26 14.805 -10.339 4.099 1.00 64.00 C ATOM 0 H VAL A 26 11.989 -9.818 4.568 1.00 24.42 H new ATOM 0 HA VAL A 26 13.307 -7.240 4.256 1.00 0.53 H new ATOM 0 HB VAL A 26 15.385 -8.380 3.403 1.00 60.45 H new ATOM 0 HG11 VAL A 26 16.351 -8.736 5.655 1.00 14.20 H new ATOM 0 HG12 VAL A 26 15.314 -7.290 5.619 1.00 14.20 H new ATOM 0 HG13 VAL A 26 14.712 -8.799 6.346 1.00 14.20 H new ATOM 0 HG21 VAL A 26 15.831 -10.689 4.211 1.00 64.00 H new ATOM 0 HG22 VAL A 26 14.187 -10.767 4.888 1.00 64.00 H new ATOM 0 HG23 VAL A 26 14.420 -10.650 3.128 1.00 64.00 H new ATOM 431 N ARG A 27 13.478 -7.918 1.675 1.00 33.21 N ATOM 432 CA ARG A 27 13.224 -8.233 0.285 1.00 4.21 C ATOM 433 C ARG A 27 14.255 -9.254 -0.171 1.00 3.32 C ATOM 434 O ARG A 27 15.382 -9.239 0.310 1.00 72.11 O ATOM 435 CB ARG A 27 13.297 -6.969 -0.594 1.00 30.33 C ATOM 436 CG ARG A 27 14.618 -6.207 -0.361 1.00 13.41 C ATOM 437 CD ARG A 27 14.513 -5.234 0.832 1.00 0.42 C ATOM 438 NE ARG A 27 13.133 -4.814 1.089 1.00 5.44 N ATOM 439 CZ ARG A 27 12.452 -4.011 0.259 1.00 52.45 C ATOM 440 NH1 ARG A 27 13.000 -3.609 -0.855 1.00 55.30 N ATOM 441 NH2 ARG A 27 11.243 -3.629 0.571 1.00 23.52 N ATOM 0 H ARG A 27 14.159 -7.174 1.829 1.00 33.21 H new ATOM 0 HA ARG A 27 12.219 -8.642 0.184 1.00 4.21 H new ATOM 0 HB2 ARG A 27 13.214 -7.247 -1.645 1.00 30.33 H new ATOM 0 HB3 ARG A 27 12.453 -6.317 -0.370 1.00 30.33 H new ATOM 0 HG2 ARG A 27 15.422 -6.920 -0.179 1.00 13.41 H new ATOM 0 HG3 ARG A 27 14.882 -5.652 -1.261 1.00 13.41 H new ATOM 0 HD2 ARG A 27 14.917 -5.712 1.724 1.00 0.42 H new ATOM 0 HD3 ARG A 27 15.127 -4.355 0.636 1.00 0.42 H new ATOM 0 HE ARG A 27 12.671 -5.147 1.935 1.00 5.44 H new ATOM 0 HH11 ARG A 27 13.946 -3.906 -1.094 1.00 55.30 H new ATOM 0 HH12 ARG A 27 12.482 -2.998 -1.487 1.00 55.30 H new ATOM 0 HH21 ARG A 27 10.819 -3.941 1.444 1.00 23.52 H new ATOM 0 HH22 ARG A 27 10.723 -3.018 -0.059 1.00 23.52 H new ATOM 455 N PRO A 28 13.939 -10.095 -1.115 1.00 70.42 N ATOM 456 CA PRO A 28 14.909 -11.119 -1.611 1.00 2.44 C ATOM 457 C PRO A 28 16.111 -10.434 -2.223 1.00 10.52 C ATOM 458 O PRO A 28 17.198 -11.008 -2.316 1.00 73.22 O ATOM 459 CB PRO A 28 14.112 -11.894 -2.660 1.00 63.31 C ATOM 460 CG PRO A 28 13.011 -10.971 -3.068 1.00 53.01 C ATOM 461 CD PRO A 28 12.653 -10.166 -1.821 1.00 50.41 C ATOM 0 HA PRO A 28 15.297 -11.770 -0.827 1.00 2.44 H new ATOM 0 HB2 PRO A 28 14.737 -12.163 -3.511 1.00 63.31 H new ATOM 0 HB3 PRO A 28 13.717 -12.823 -2.249 1.00 63.31 H new ATOM 0 HG2 PRO A 28 13.332 -10.315 -3.877 1.00 53.01 H new ATOM 0 HG3 PRO A 28 12.149 -11.529 -3.433 1.00 53.01 H new ATOM 0 HD2 PRO A 28 12.271 -9.176 -2.072 1.00 50.41 H new ATOM 0 HD3 PRO A 28 11.888 -10.661 -1.223 1.00 50.41 H new ATOM 469 N ASP A 29 15.903 -9.171 -2.554 1.00 21.24 N ATOM 470 CA ASP A 29 16.935 -8.289 -3.068 1.00 42.34 C ATOM 471 C ASP A 29 18.001 -8.055 -2.001 1.00 22.22 C ATOM 472 O ASP A 29 19.113 -7.604 -2.296 1.00 73.13 O ATOM 473 CB ASP A 29 16.295 -6.956 -3.485 1.00 0.01 C ATOM 474 CG ASP A 29 17.228 -6.135 -4.350 1.00 62.22 C ATOM 475 OD1 ASP A 29 17.745 -6.663 -5.301 1.00 21.43 O ATOM 476 OD2 ASP A 29 17.398 -4.977 -4.057 1.00 43.24 O ATOM 0 H ASP A 29 14.991 -8.721 -2.471 1.00 21.24 H new ATOM 0 HA ASP A 29 17.411 -8.747 -3.935 1.00 42.34 H new ATOM 0 HB2 ASP A 29 15.371 -7.150 -4.029 1.00 0.01 H new ATOM 0 HB3 ASP A 29 16.028 -6.386 -2.595 1.00 0.01 H new ATOM 481 N MET A 30 17.635 -8.314 -0.755 1.00 31.25 N ATOM 482 CA MET A 30 18.516 -8.134 0.367 1.00 25.12 C ATOM 483 C MET A 30 19.779 -8.971 0.220 1.00 64.13 C ATOM 484 O MET A 30 19.807 -9.970 -0.501 1.00 62.13 O ATOM 485 CB MET A 30 17.758 -8.511 1.640 1.00 2.42 C ATOM 486 CG MET A 30 18.707 -8.750 2.793 1.00 11.34 C ATOM 487 SD MET A 30 19.557 -7.221 3.200 1.00 52.43 S ATOM 488 CE MET A 30 18.822 -7.031 4.828 1.00 61.23 C ATOM 0 H MET A 30 16.709 -8.657 -0.502 1.00 31.25 H new ATOM 0 HA MET A 30 18.831 -7.092 0.417 1.00 25.12 H new ATOM 0 HB2 MET A 30 17.060 -7.715 1.900 1.00 2.42 H new ATOM 0 HB3 MET A 30 17.166 -9.409 1.461 1.00 2.42 H new ATOM 0 HG2 MET A 30 18.157 -9.114 3.661 1.00 11.34 H new ATOM 0 HG3 MET A 30 19.431 -9.521 2.528 1.00 11.34 H new ATOM 0 HE1 MET A 30 19.533 -6.542 5.493 1.00 61.23 H new ATOM 0 HE2 MET A 30 17.920 -6.424 4.751 1.00 61.23 H new ATOM 0 HE3 MET A 30 18.566 -8.012 5.228 1.00 61.23 H new ATOM 498 N THR A 31 20.790 -8.569 0.951 1.00 12.23 N ATOM 499 CA THR A 31 22.062 -9.239 1.000 1.00 31.41 C ATOM 500 C THR A 31 22.260 -9.895 2.371 1.00 44.04 C ATOM 501 O THR A 31 21.816 -9.360 3.397 1.00 12.01 O ATOM 502 CB THR A 31 23.173 -8.225 0.698 1.00 25.42 C ATOM 503 OG1 THR A 31 23.345 -8.103 -0.713 1.00 20.13 O ATOM 504 CG2 THR A 31 24.472 -8.657 1.340 1.00 40.23 C ATOM 0 H THR A 31 20.747 -7.741 1.545 1.00 12.23 H new ATOM 0 HA THR A 31 22.097 -10.029 0.250 1.00 31.41 H new ATOM 0 HB THR A 31 22.886 -7.258 1.111 1.00 25.42 H new ATOM 0 HG1 THR A 31 24.277 -8.296 -0.947 1.00 20.13 H new ATOM 0 HG21 THR A 31 25.249 -7.927 1.116 1.00 40.23 H new ATOM 0 HG22 THR A 31 24.339 -8.726 2.420 1.00 40.23 H new ATOM 0 HG23 THR A 31 24.765 -9.631 0.948 1.00 40.23 H new ATOM 512 N VAL A 32 22.919 -11.053 2.389 1.00 60.15 N ATOM 513 CA VAL A 32 23.128 -11.775 3.637 1.00 10.31 C ATOM 514 C VAL A 32 23.917 -10.926 4.633 1.00 54.12 C ATOM 515 O VAL A 32 23.528 -10.809 5.796 1.00 54.33 O ATOM 516 CB VAL A 32 23.857 -13.105 3.375 1.00 44.23 C ATOM 517 CG1 VAL A 32 24.303 -13.730 4.709 1.00 71.12 C ATOM 518 CG2 VAL A 32 22.908 -14.069 2.650 1.00 24.05 C ATOM 0 H VAL A 32 23.312 -11.504 1.563 1.00 60.15 H new ATOM 0 HA VAL A 32 22.151 -11.991 4.070 1.00 10.31 H new ATOM 0 HB VAL A 32 24.735 -12.919 2.757 1.00 44.23 H new ATOM 0 HG11 VAL A 32 24.818 -14.671 4.516 1.00 71.12 H new ATOM 0 HG12 VAL A 32 24.978 -13.046 5.224 1.00 71.12 H new ATOM 0 HG13 VAL A 32 23.429 -13.916 5.334 1.00 71.12 H new ATOM 0 HG21 VAL A 32 23.421 -15.012 2.463 1.00 24.05 H new ATOM 0 HG22 VAL A 32 22.030 -14.250 3.270 1.00 24.05 H new ATOM 0 HG23 VAL A 32 22.598 -13.630 1.702 1.00 24.05 H new ATOM 528 N ALA A 33 24.991 -10.296 4.177 1.00 53.45 N ATOM 529 CA ALA A 33 25.777 -9.452 5.064 1.00 55.04 C ATOM 530 C ALA A 33 24.874 -8.420 5.731 1.00 52.23 C ATOM 531 O ALA A 33 24.896 -8.266 6.955 1.00 54.14 O ATOM 532 CB ALA A 33 26.910 -8.757 4.302 1.00 50.32 C ATOM 0 H ALA A 33 25.333 -10.351 3.217 1.00 53.45 H new ATOM 0 HA ALA A 33 26.227 -10.082 5.831 1.00 55.04 H new ATOM 0 HB1 ALA A 33 27.481 -8.133 4.989 1.00 50.32 H new ATOM 0 HB2 ALA A 33 27.567 -9.508 3.862 1.00 50.32 H new ATOM 0 HB3 ALA A 33 26.489 -8.135 3.512 1.00 50.32 H new ATOM 538 N SER A 34 24.041 -7.773 4.934 1.00 20.42 N ATOM 539 CA SER A 34 23.056 -6.829 5.448 1.00 42.23 C ATOM 540 C SER A 34 22.045 -7.541 6.358 1.00 51.41 C ATOM 541 O SER A 34 21.681 -7.035 7.423 1.00 74.05 O ATOM 542 CB SER A 34 22.334 -6.149 4.287 1.00 22.13 C ATOM 543 OG SER A 34 23.293 -5.609 3.387 1.00 22.31 O ATOM 0 H SER A 34 24.026 -7.884 3.920 1.00 20.42 H new ATOM 0 HA SER A 34 23.573 -6.073 6.039 1.00 42.23 H new ATOM 0 HB2 SER A 34 21.697 -6.867 3.770 1.00 22.13 H new ATOM 0 HB3 SER A 34 21.684 -5.358 4.661 1.00 22.13 H new ATOM 0 HG SER A 34 22.832 -5.174 2.640 1.00 22.31 H new ATOM 549 N LEU A 35 21.616 -8.720 5.929 1.00 42.51 N ATOM 550 CA LEU A 35 20.652 -9.534 6.677 1.00 60.21 C ATOM 551 C LEU A 35 21.227 -9.914 8.030 1.00 12.50 C ATOM 552 O LEU A 35 20.562 -9.784 9.063 1.00 51.11 O ATOM 553 CB LEU A 35 20.315 -10.794 5.862 1.00 20.44 C ATOM 554 CG LEU A 35 19.348 -11.709 6.628 1.00 63.51 C ATOM 555 CD1 LEU A 35 18.075 -10.953 6.995 1.00 4.13 C ATOM 556 CD2 LEU A 35 18.981 -12.897 5.743 1.00 72.44 C ATOM 0 H LEU A 35 21.923 -9.144 5.054 1.00 42.51 H new ATOM 0 HA LEU A 35 19.741 -8.960 6.843 1.00 60.21 H new ATOM 0 HB2 LEU A 35 19.870 -10.506 4.910 1.00 20.44 H new ATOM 0 HB3 LEU A 35 21.231 -11.339 5.634 1.00 20.44 H new ATOM 0 HG LEU A 35 19.834 -12.050 7.542 1.00 63.51 H new ATOM 0 HD11 LEU A 35 17.401 -11.617 7.537 1.00 4.13 H new ATOM 0 HD12 LEU A 35 18.327 -10.099 7.624 1.00 4.13 H new ATOM 0 HD13 LEU A 35 17.585 -10.602 6.086 1.00 4.13 H new ATOM 0 HD21 LEU A 35 18.294 -13.552 6.279 1.00 72.44 H new ATOM 0 HD22 LEU A 35 18.503 -12.538 4.832 1.00 72.44 H new ATOM 0 HD23 LEU A 35 19.884 -13.451 5.485 1.00 72.44 H new ATOM 568 N LYS A 36 22.482 -10.294 8.023 1.00 34.21 N ATOM 569 CA LYS A 36 23.195 -10.634 9.234 1.00 44.21 C ATOM 570 C LYS A 36 23.141 -9.469 10.216 1.00 31.00 C ATOM 571 O LYS A 36 22.907 -9.654 11.414 1.00 33.33 O ATOM 572 CB LYS A 36 24.652 -10.925 8.856 1.00 43.15 C ATOM 573 CG LYS A 36 25.556 -10.907 10.095 1.00 4.03 C ATOM 574 CD LYS A 36 26.361 -9.593 10.120 1.00 65.42 C ATOM 575 CE LYS A 36 27.232 -9.471 8.854 1.00 65.21 C ATOM 576 NZ LYS A 36 26.970 -8.162 8.187 1.00 35.45 N ATOM 0 H LYS A 36 23.041 -10.377 7.174 1.00 34.21 H new ATOM 0 HA LYS A 36 22.741 -11.505 9.707 1.00 44.21 H new ATOM 0 HB2 LYS A 36 24.717 -11.897 8.368 1.00 43.15 H new ATOM 0 HB3 LYS A 36 25.000 -10.183 8.137 1.00 43.15 H new ATOM 0 HG2 LYS A 36 24.954 -10.995 11.000 1.00 4.03 H new ATOM 0 HG3 LYS A 36 26.233 -11.761 10.078 1.00 4.03 H new ATOM 0 HD2 LYS A 36 25.681 -8.744 10.184 1.00 65.42 H new ATOM 0 HD3 LYS A 36 26.993 -9.563 11.008 1.00 65.42 H new ATOM 0 HE2 LYS A 36 28.287 -9.551 9.117 1.00 65.21 H new ATOM 0 HE3 LYS A 36 27.011 -10.290 8.169 1.00 65.21 H new ATOM 0 HZ1 LYS A 36 27.683 -8.000 7.448 1.00 35.45 H new ATOM 0 HZ2 LYS A 36 26.023 -8.175 7.758 1.00 35.45 H new ATOM 0 HZ3 LYS A 36 27.021 -7.398 8.890 1.00 35.45 H new ATOM 590 N ASP A 37 23.378 -8.271 9.708 1.00 21.40 N ATOM 591 CA ASP A 37 23.396 -7.082 10.547 1.00 31.33 C ATOM 592 C ASP A 37 22.067 -6.794 11.205 1.00 3.04 C ATOM 593 O ASP A 37 22.021 -6.465 12.391 1.00 73.14 O ATOM 594 CB ASP A 37 23.894 -5.864 9.767 1.00 1.34 C ATOM 595 CG ASP A 37 25.404 -5.812 9.804 1.00 74.31 C ATOM 596 OD1 ASP A 37 25.939 -5.619 10.872 1.00 52.50 O ATOM 597 OD2 ASP A 37 26.011 -5.943 8.770 1.00 11.04 O ATOM 0 H ASP A 37 23.561 -8.095 8.720 1.00 21.40 H new ATOM 0 HA ASP A 37 24.098 -7.293 11.354 1.00 31.33 H new ATOM 0 HB2 ASP A 37 23.548 -5.916 8.735 1.00 1.34 H new ATOM 0 HB3 ASP A 37 23.479 -4.952 10.196 1.00 1.34 H new ATOM 602 N MET A 38 20.975 -6.958 10.477 1.00 34.44 N ATOM 603 CA MET A 38 19.675 -6.660 11.061 1.00 41.13 C ATOM 604 C MET A 38 19.475 -7.531 12.268 1.00 34.34 C ATOM 605 O MET A 38 18.925 -7.102 13.272 1.00 71.22 O ATOM 606 CB MET A 38 18.520 -6.910 10.104 1.00 41.21 C ATOM 607 CG MET A 38 18.965 -6.839 8.650 1.00 23.15 C ATOM 608 SD MET A 38 17.495 -6.981 7.597 1.00 32.15 S ATOM 609 CE MET A 38 16.810 -8.482 8.365 1.00 74.35 C ATOM 0 H MET A 38 20.958 -7.285 9.511 1.00 34.44 H new ATOM 0 HA MET A 38 19.675 -5.600 11.314 1.00 41.13 H new ATOM 0 HB2 MET A 38 18.088 -7.890 10.304 1.00 41.21 H new ATOM 0 HB3 MET A 38 17.736 -6.174 10.280 1.00 41.21 H new ATOM 0 HG2 MET A 38 19.481 -5.899 8.456 1.00 23.15 H new ATOM 0 HG3 MET A 38 19.669 -7.641 8.429 1.00 23.15 H new ATOM 0 HE1 MET A 38 16.361 -9.111 7.597 1.00 74.35 H new ATOM 0 HE2 MET A 38 17.608 -9.032 8.864 1.00 74.35 H new ATOM 0 HE3 MET A 38 16.050 -8.203 9.095 1.00 74.35 H new ATOM 619 N VAL A 39 19.929 -8.759 12.161 1.00 14.41 N ATOM 620 CA VAL A 39 19.810 -9.702 13.243 1.00 25.32 C ATOM 621 C VAL A 39 20.525 -9.151 14.466 1.00 51.44 C ATOM 622 O VAL A 39 19.968 -9.144 15.563 1.00 21.33 O ATOM 623 CB VAL A 39 20.355 -11.079 12.828 1.00 31.13 C ATOM 624 CG1 VAL A 39 20.356 -12.049 14.022 1.00 41.14 C ATOM 625 CG2 VAL A 39 19.460 -11.649 11.721 1.00 65.31 C ATOM 0 H VAL A 39 20.387 -9.128 11.328 1.00 14.41 H new ATOM 0 HA VAL A 39 18.759 -9.843 13.494 1.00 25.32 H new ATOM 0 HB VAL A 39 21.379 -10.962 12.474 1.00 31.13 H new ATOM 0 HG11 VAL A 39 20.745 -13.016 13.705 1.00 41.14 H new ATOM 0 HG12 VAL A 39 20.985 -11.647 14.816 1.00 41.14 H new ATOM 0 HG13 VAL A 39 19.338 -12.171 14.392 1.00 41.14 H new ATOM 0 HG21 VAL A 39 19.835 -12.626 11.417 1.00 65.31 H new ATOM 0 HG22 VAL A 39 18.441 -11.752 12.094 1.00 65.31 H new ATOM 0 HG23 VAL A 39 19.467 -10.975 10.864 1.00 65.31 H new ATOM 635 N PHE A 40 21.695 -8.571 14.258 1.00 3.12 N ATOM 636 CA PHE A 40 22.360 -7.887 15.345 1.00 33.42 C ATOM 637 C PHE A 40 21.488 -6.759 15.850 1.00 2.10 C ATOM 638 O PHE A 40 21.296 -6.604 17.049 1.00 42.22 O ATOM 639 CB PHE A 40 23.725 -7.332 14.917 1.00 31.43 C ATOM 640 CG PHE A 40 24.253 -6.422 16.012 1.00 13.33 C ATOM 641 CD1 PHE A 40 24.654 -6.954 17.242 1.00 13.01 C ATOM 642 CD2 PHE A 40 24.319 -5.040 15.798 1.00 43.21 C ATOM 643 CE1 PHE A 40 25.125 -6.108 18.254 1.00 61.34 C ATOM 644 CE2 PHE A 40 24.784 -4.191 16.813 1.00 33.14 C ATOM 645 CZ PHE A 40 25.191 -4.725 18.040 1.00 34.32 C ATOM 0 H PHE A 40 22.192 -8.561 13.367 1.00 3.12 H new ATOM 0 HA PHE A 40 22.528 -8.612 16.141 1.00 33.42 H new ATOM 0 HB2 PHE A 40 24.424 -8.149 14.736 1.00 31.43 H new ATOM 0 HB3 PHE A 40 23.631 -6.780 13.982 1.00 31.43 H new ATOM 0 HD1 PHE A 40 24.600 -8.019 17.412 1.00 13.01 H new ATOM 0 HD2 PHE A 40 24.011 -4.627 14.849 1.00 43.21 H new ATOM 0 HE1 PHE A 40 25.438 -6.522 19.201 1.00 61.34 H new ATOM 0 HE2 PHE A 40 24.828 -3.125 16.647 1.00 33.14 H new ATOM 0 HZ PHE A 40 25.555 -4.073 18.820 1.00 34.32 H new ATOM 655 N LEU A 41 20.953 -5.973 14.930 1.00 22.50 N ATOM 656 CA LEU A 41 20.136 -4.838 15.320 1.00 60.20 C ATOM 657 C LEU A 41 18.930 -5.356 16.067 1.00 62.30 C ATOM 658 O LEU A 41 18.490 -4.781 17.072 1.00 2.04 O ATOM 659 CB LEU A 41 19.609 -4.141 14.062 1.00 64.43 C ATOM 660 CG LEU A 41 20.762 -3.666 13.186 1.00 14.35 C ATOM 661 CD1 LEU A 41 20.219 -3.007 11.917 1.00 15.13 C ATOM 662 CD2 LEU A 41 21.642 -2.692 13.944 1.00 2.24 C ATOM 0 H LEU A 41 21.067 -6.097 13.924 1.00 22.50 H new ATOM 0 HA LEU A 41 20.728 -4.154 15.928 1.00 60.20 H new ATOM 0 HB2 LEU A 41 18.976 -4.827 13.498 1.00 64.43 H new ATOM 0 HB3 LEU A 41 18.987 -3.292 14.344 1.00 64.43 H new ATOM 0 HG LEU A 41 21.365 -4.531 12.908 1.00 14.35 H new ATOM 0 HD11 LEU A 41 21.050 -2.671 11.297 1.00 15.13 H new ATOM 0 HD12 LEU A 41 19.620 -3.728 11.361 1.00 15.13 H new ATOM 0 HD13 LEU A 41 19.599 -2.152 12.188 1.00 15.13 H new ATOM 0 HD21 LEU A 41 22.459 -2.364 13.302 1.00 2.24 H new ATOM 0 HD22 LEU A 41 21.051 -1.828 14.248 1.00 2.24 H new ATOM 0 HD23 LEU A 41 22.049 -3.182 14.828 1.00 2.24 H new ATOM 674 N ASP A 42 18.363 -6.405 15.508 1.00 3.40 N ATOM 675 CA ASP A 42 17.124 -6.997 15.994 1.00 20.53 C ATOM 676 C ASP A 42 17.323 -7.814 17.268 1.00 55.41 C ATOM 677 O ASP A 42 16.511 -7.737 18.190 1.00 3.34 O ATOM 678 CB ASP A 42 16.504 -7.871 14.879 1.00 22.22 C ATOM 679 CG ASP A 42 15.044 -8.217 15.157 1.00 70.13 C ATOM 680 OD1 ASP A 42 14.429 -7.559 15.966 1.00 75.41 O ATOM 681 OD2 ASP A 42 14.548 -9.133 14.537 1.00 72.43 O ATOM 0 H ASP A 42 18.751 -6.880 14.693 1.00 3.40 H new ATOM 0 HA ASP A 42 16.445 -6.184 16.252 1.00 20.53 H new ATOM 0 HB2 ASP A 42 16.575 -7.345 13.927 1.00 22.22 H new ATOM 0 HB3 ASP A 42 17.080 -8.791 14.779 1.00 22.22 H new ATOM 686 N TYR A 43 18.343 -8.670 17.283 1.00 32.23 N ATOM 687 CA TYR A 43 18.543 -9.588 18.413 1.00 3.43 C ATOM 688 C TYR A 43 19.800 -9.281 19.220 1.00 54.44 C ATOM 689 O TYR A 43 20.083 -9.959 20.208 1.00 52.22 O ATOM 690 CB TYR A 43 18.582 -11.033 17.908 1.00 12.45 C ATOM 691 CG TYR A 43 17.327 -11.296 17.125 1.00 32.24 C ATOM 692 CD1 TYR A 43 16.129 -11.591 17.787 1.00 32.13 C ATOM 693 CD2 TYR A 43 17.357 -11.217 15.733 1.00 13.44 C ATOM 694 CE1 TYR A 43 14.966 -11.809 17.047 1.00 60.33 C ATOM 695 CE2 TYR A 43 16.197 -11.426 15.001 1.00 50.22 C ATOM 696 CZ TYR A 43 15.002 -11.722 15.653 1.00 33.42 C ATOM 697 OH TYR A 43 13.857 -11.905 14.919 1.00 11.32 O ATOM 0 H TYR A 43 19.037 -8.751 16.540 1.00 32.23 H new ATOM 0 HA TYR A 43 17.698 -9.449 19.087 1.00 3.43 H new ATOM 0 HB2 TYR A 43 19.460 -11.192 17.282 1.00 12.45 H new ATOM 0 HB3 TYR A 43 18.658 -11.726 18.746 1.00 12.45 H new ATOM 0 HD1 TYR A 43 16.105 -11.650 18.865 1.00 32.13 H new ATOM 0 HD2 TYR A 43 18.283 -10.993 15.225 1.00 13.44 H new ATOM 0 HE1 TYR A 43 14.040 -12.044 17.551 1.00 60.33 H new ATOM 0 HE2 TYR A 43 16.221 -11.359 13.923 1.00 50.22 H new ATOM 0 HH TYR A 43 13.607 -11.062 14.487 1.00 11.32 H new ATOM 707 N GLY A 44 20.580 -8.306 18.788 1.00 13.32 N ATOM 708 CA GLY A 44 21.812 -7.964 19.496 1.00 51.52 C ATOM 709 C GLY A 44 22.824 -9.091 19.382 1.00 41.34 C ATOM 710 O GLY A 44 23.719 -9.228 20.224 1.00 41.15 O ATOM 0 H GLY A 44 20.390 -7.740 17.961 1.00 13.32 H new ATOM 0 HA2 GLY A 44 22.233 -7.047 19.083 1.00 51.52 H new ATOM 0 HA3 GLY A 44 21.593 -7.770 20.546 1.00 51.52 H new ATOM 714 N PHE A 45 22.659 -9.922 18.365 1.00 73.22 N ATOM 715 CA PHE A 45 23.554 -11.061 18.151 1.00 0.40 C ATOM 716 C PHE A 45 24.892 -10.582 17.604 1.00 12.32 C ATOM 717 O PHE A 45 24.953 -10.080 16.480 1.00 44.25 O ATOM 718 CB PHE A 45 22.938 -12.053 17.140 1.00 13.01 C ATOM 719 CG PHE A 45 21.799 -12.858 17.756 1.00 55.55 C ATOM 720 CD1 PHE A 45 21.279 -12.529 19.022 1.00 31.22 C ATOM 721 CD2 PHE A 45 21.261 -13.942 17.046 1.00 43.54 C ATOM 722 CE1 PHE A 45 20.232 -13.282 19.567 1.00 2.11 C ATOM 723 CE2 PHE A 45 20.211 -14.692 17.593 1.00 74.25 C ATOM 724 CZ PHE A 45 19.697 -14.362 18.851 1.00 11.12 C ATOM 0 H PHE A 45 21.916 -9.834 17.672 1.00 73.22 H new ATOM 0 HA PHE A 45 23.699 -11.559 19.110 1.00 0.40 H new ATOM 0 HB2 PHE A 45 22.568 -11.505 16.273 1.00 13.01 H new ATOM 0 HB3 PHE A 45 23.711 -12.733 16.782 1.00 13.01 H new ATOM 0 HD1 PHE A 45 21.688 -11.695 19.573 1.00 31.22 H new ATOM 0 HD2 PHE A 45 21.657 -14.199 16.075 1.00 43.54 H new ATOM 0 HE1 PHE A 45 19.836 -13.031 20.540 1.00 2.11 H new ATOM 0 HE2 PHE A 45 19.799 -15.525 17.043 1.00 74.25 H new ATOM 0 HZ PHE A 45 18.887 -14.940 19.271 1.00 11.12 H new ATOM 734 N PRO A 46 25.969 -10.758 18.337 1.00 33.44 N ATOM 735 CA PRO A 46 27.318 -10.373 17.839 1.00 1.25 C ATOM 736 C PRO A 46 27.649 -11.165 16.567 1.00 72.23 C ATOM 737 O PRO A 46 27.449 -12.385 16.518 1.00 63.41 O ATOM 738 CB PRO A 46 28.264 -10.748 18.994 1.00 45.41 C ATOM 739 CG PRO A 46 27.493 -11.713 19.841 1.00 3.22 C ATOM 740 CD PRO A 46 26.023 -11.324 19.700 1.00 61.54 C ATOM 0 HA PRO A 46 27.397 -9.319 17.574 1.00 1.25 H new ATOM 0 HB2 PRO A 46 29.182 -11.201 18.619 1.00 45.41 H new ATOM 0 HB3 PRO A 46 28.554 -9.867 19.567 1.00 45.41 H new ATOM 0 HG2 PRO A 46 27.658 -12.739 19.511 1.00 3.22 H new ATOM 0 HG3 PRO A 46 27.812 -11.658 20.882 1.00 3.22 H new ATOM 0 HD2 PRO A 46 25.364 -12.185 19.808 1.00 61.54 H new ATOM 0 HD3 PRO A 46 25.722 -10.596 20.453 1.00 61.54 H new ATOM 748 N PRO A 47 28.077 -10.500 15.525 1.00 24.43 N ATOM 749 CA PRO A 47 28.303 -11.150 14.201 1.00 3.35 C ATOM 750 C PRO A 47 29.302 -12.283 14.283 1.00 32.23 C ATOM 751 O PRO A 47 29.189 -13.279 13.567 1.00 60.40 O ATOM 752 CB PRO A 47 28.833 -10.009 13.319 1.00 22.12 C ATOM 753 CG PRO A 47 29.335 -8.982 14.282 1.00 61.03 C ATOM 754 CD PRO A 47 28.405 -9.068 15.488 1.00 72.21 C ATOM 0 HA PRO A 47 27.394 -11.607 13.810 1.00 3.35 H new ATOM 0 HB2 PRO A 47 29.629 -10.356 12.660 1.00 22.12 H new ATOM 0 HB3 PRO A 47 28.047 -9.603 12.683 1.00 22.12 H new ATOM 0 HG2 PRO A 47 30.368 -9.183 14.567 1.00 61.03 H new ATOM 0 HG3 PRO A 47 29.314 -7.986 13.840 1.00 61.03 H new ATOM 0 HD2 PRO A 47 28.895 -8.739 16.404 1.00 72.21 H new ATOM 0 HD3 PRO A 47 27.516 -8.450 15.362 1.00 72.21 H new ATOM 762 N VAL A 48 30.237 -12.160 15.191 1.00 2.22 N ATOM 763 CA VAL A 48 31.216 -13.201 15.398 1.00 3.34 C ATOM 764 C VAL A 48 30.551 -14.499 15.858 1.00 13.44 C ATOM 765 O VAL A 48 30.913 -15.585 15.402 1.00 24.32 O ATOM 766 CB VAL A 48 32.288 -12.736 16.407 1.00 51.11 C ATOM 767 CG1 VAL A 48 31.623 -12.094 17.632 1.00 44.54 C ATOM 768 CG2 VAL A 48 33.132 -13.934 16.866 1.00 41.53 C ATOM 0 H VAL A 48 30.342 -11.349 15.800 1.00 2.22 H new ATOM 0 HA VAL A 48 31.707 -13.404 14.446 1.00 3.34 H new ATOM 0 HB VAL A 48 32.928 -12.002 15.916 1.00 51.11 H new ATOM 0 HG11 VAL A 48 32.391 -11.771 18.335 1.00 44.54 H new ATOM 0 HG12 VAL A 48 31.034 -11.233 17.317 1.00 44.54 H new ATOM 0 HG13 VAL A 48 30.971 -12.822 18.116 1.00 44.54 H new ATOM 0 HG21 VAL A 48 33.886 -13.597 17.578 1.00 41.53 H new ATOM 0 HG22 VAL A 48 32.487 -14.672 17.343 1.00 41.53 H new ATOM 0 HG23 VAL A 48 33.623 -14.385 16.004 1.00 41.53 H new ATOM 778 N LEU A 49 29.623 -14.390 16.800 1.00 54.44 N ATOM 779 CA LEU A 49 28.985 -15.574 17.364 1.00 52.43 C ATOM 780 C LEU A 49 28.050 -16.228 16.380 1.00 2.01 C ATOM 781 O LEU A 49 27.951 -17.449 16.337 1.00 62.52 O ATOM 782 CB LEU A 49 28.213 -15.233 18.638 1.00 62.41 C ATOM 783 CG LEU A 49 29.177 -15.157 19.828 1.00 55.31 C ATOM 784 CD1 LEU A 49 30.091 -13.936 19.699 1.00 45.40 C ATOM 785 CD2 LEU A 49 28.393 -15.073 21.136 1.00 21.42 C ATOM 0 H LEU A 49 29.297 -13.504 17.187 1.00 54.44 H new ATOM 0 HA LEU A 49 29.786 -16.273 17.604 1.00 52.43 H new ATOM 0 HB2 LEU A 49 27.696 -14.281 18.516 1.00 62.41 H new ATOM 0 HB3 LEU A 49 27.450 -15.989 18.825 1.00 62.41 H new ATOM 0 HG LEU A 49 29.789 -16.059 19.832 1.00 55.31 H new ATOM 0 HD11 LEU A 49 30.769 -13.897 20.552 1.00 45.40 H new ATOM 0 HD12 LEU A 49 30.670 -14.010 18.778 1.00 45.40 H new ATOM 0 HD13 LEU A 49 29.486 -13.030 19.675 1.00 45.40 H new ATOM 0 HD21 LEU A 49 29.088 -15.020 21.974 1.00 21.42 H new ATOM 0 HD22 LEU A 49 27.766 -14.182 21.128 1.00 21.42 H new ATOM 0 HD23 LEU A 49 27.765 -15.958 21.241 1.00 21.42 H new ATOM 797 N GLN A 50 27.323 -15.416 15.625 1.00 62.55 N ATOM 798 CA GLN A 50 26.323 -15.949 14.709 1.00 24.52 C ATOM 799 C GLN A 50 26.932 -16.348 13.380 1.00 43.40 C ATOM 800 O GLN A 50 27.555 -15.531 12.696 1.00 65.42 O ATOM 801 CB GLN A 50 25.157 -14.957 14.500 1.00 53.50 C ATOM 802 CG GLN A 50 25.680 -13.579 14.058 1.00 42.03 C ATOM 803 CD GLN A 50 25.439 -13.375 12.562 1.00 24.14 C ATOM 804 OE1 GLN A 50 24.333 -13.016 12.148 1.00 22.04 O ATOM 805 NE2 GLN A 50 26.398 -13.598 11.726 1.00 23.53 N ATOM 0 H GLN A 50 27.404 -14.399 15.627 1.00 62.55 H new ATOM 0 HA GLN A 50 25.920 -16.849 15.173 1.00 24.52 H new ATOM 0 HB2 GLN A 50 24.472 -15.348 13.748 1.00 53.50 H new ATOM 0 HB3 GLN A 50 24.590 -14.855 15.426 1.00 53.50 H new ATOM 0 HG2 GLN A 50 25.179 -12.794 14.624 1.00 42.03 H new ATOM 0 HG3 GLN A 50 26.745 -13.500 14.276 1.00 42.03 H new ATOM 0 HE21 GLN A 50 27.313 -13.895 12.066 1.00 23.53 H new ATOM 0 HE22 GLN A 50 26.241 -13.477 10.725 1.00 23.53 H new ATOM 814 N GLN A 51 26.710 -17.588 12.997 1.00 50.00 N ATOM 815 CA GLN A 51 27.149 -18.085 11.715 1.00 5.12 C ATOM 816 C GLN A 51 25.936 -18.414 10.870 1.00 24.14 C ATOM 817 O GLN A 51 25.077 -19.195 11.287 1.00 52.33 O ATOM 818 CB GLN A 51 28.015 -19.341 11.887 1.00 32.34 C ATOM 819 CG GLN A 51 29.259 -19.011 12.727 1.00 40.52 C ATOM 820 CD GLN A 51 30.109 -17.967 12.020 1.00 13.41 C ATOM 821 OE1 GLN A 51 30.454 -18.134 10.851 1.00 2.14 O ATOM 822 NE2 GLN A 51 30.463 -16.892 12.651 1.00 64.45 N ATOM 0 H GLN A 51 26.220 -18.277 13.567 1.00 50.00 H new ATOM 0 HA GLN A 51 27.749 -17.319 11.224 1.00 5.12 H new ATOM 0 HB2 GLN A 51 27.437 -20.128 12.372 1.00 32.34 H new ATOM 0 HB3 GLN A 51 28.316 -19.722 10.911 1.00 32.34 H new ATOM 0 HG2 GLN A 51 28.957 -18.642 13.707 1.00 40.52 H new ATOM 0 HG3 GLN A 51 29.845 -19.915 12.893 1.00 40.52 H new ATOM 0 HE21 GLN A 51 30.178 -16.752 13.620 1.00 64.45 H new ATOM 0 HE22 GLN A 51 31.027 -16.186 12.178 1.00 64.45 H new ATOM 831 N TRP A 52 25.881 -17.849 9.689 1.00 42.04 N ATOM 832 CA TRP A 52 24.790 -18.109 8.767 1.00 31.04 C ATOM 833 C TRP A 52 25.137 -19.293 7.904 1.00 72.42 C ATOM 834 O TRP A 52 26.232 -19.338 7.323 1.00 1.43 O ATOM 835 CB TRP A 52 24.561 -16.891 7.871 1.00 75.43 C ATOM 836 CG TRP A 52 23.881 -15.808 8.639 1.00 45.20 C ATOM 837 CD1 TRP A 52 24.489 -14.960 9.499 1.00 33.04 C ATOM 838 CD2 TRP A 52 22.480 -15.433 8.610 1.00 51.21 C ATOM 839 NE1 TRP A 52 23.539 -14.096 10.015 1.00 11.32 N ATOM 840 CE2 TRP A 52 22.284 -14.347 9.490 1.00 62.02 C ATOM 841 CE3 TRP A 52 21.366 -15.932 7.912 1.00 64.11 C ATOM 842 CZ2 TRP A 52 21.029 -13.774 9.667 1.00 55.12 C ATOM 843 CZ3 TRP A 52 20.100 -15.357 8.092 1.00 45.22 C ATOM 844 CH2 TRP A 52 19.934 -14.279 8.967 1.00 64.43 C ATOM 0 H TRP A 52 26.584 -17.199 9.336 1.00 42.04 H new ATOM 0 HA TRP A 52 23.884 -18.315 9.337 1.00 31.04 H new ATOM 0 HB2 TRP A 52 25.514 -16.530 7.485 1.00 75.43 H new ATOM 0 HB3 TRP A 52 23.955 -17.172 7.010 1.00 75.43 H new ATOM 0 HD1 TRP A 52 25.541 -14.957 9.743 1.00 33.04 H new ATOM 0 HE1 TRP A 52 23.739 -13.365 10.698 1.00 11.32 H new ATOM 0 HE3 TRP A 52 21.486 -16.763 7.233 1.00 64.11 H new ATOM 0 HZ2 TRP A 52 20.903 -12.942 10.344 1.00 55.12 H new ATOM 0 HZ3 TRP A 52 19.250 -15.748 7.553 1.00 45.22 H new ATOM 0 HH2 TRP A 52 18.957 -13.837 9.101 1.00 64.43 H new ATOM 855 N VAL A 53 24.207 -20.219 7.766 1.00 64.50 N ATOM 856 CA VAL A 53 24.436 -21.368 6.922 1.00 13.22 C ATOM 857 C VAL A 53 23.392 -21.428 5.822 1.00 24.40 C ATOM 858 O VAL A 53 22.200 -21.597 6.087 1.00 52.11 O ATOM 859 CB VAL A 53 24.373 -22.653 7.769 1.00 15.40 C ATOM 860 CG1 VAL A 53 24.678 -23.879 6.899 1.00 70.32 C ATOM 861 CG2 VAL A 53 25.392 -22.572 8.914 1.00 70.32 C ATOM 0 H VAL A 53 23.296 -20.196 8.224 1.00 64.50 H new ATOM 0 HA VAL A 53 25.423 -21.281 6.467 1.00 13.22 H new ATOM 0 HB VAL A 53 23.369 -22.751 8.181 1.00 15.40 H new ATOM 0 HG11 VAL A 53 24.630 -24.780 7.510 1.00 70.32 H new ATOM 0 HG12 VAL A 53 23.945 -23.946 6.095 1.00 70.32 H new ATOM 0 HG13 VAL A 53 25.676 -23.783 6.472 1.00 70.32 H new ATOM 0 HG21 VAL A 53 25.343 -23.483 9.510 1.00 70.32 H new ATOM 0 HG22 VAL A 53 26.395 -22.462 8.501 1.00 70.32 H new ATOM 0 HG23 VAL A 53 25.163 -21.713 9.545 1.00 70.32 H new ATOM 871 N ILE A 54 23.861 -21.431 4.595 1.00 31.32 N ATOM 872 CA ILE A 54 23.017 -21.652 3.447 1.00 2.42 C ATOM 873 C ILE A 54 23.806 -22.462 2.435 1.00 55.44 C ATOM 874 O ILE A 54 24.894 -22.056 2.032 1.00 64.42 O ATOM 875 CB ILE A 54 22.558 -20.312 2.838 1.00 61.22 C ATOM 876 CG1 ILE A 54 21.745 -19.520 3.875 1.00 70.55 C ATOM 877 CG2 ILE A 54 21.674 -20.573 1.615 1.00 73.52 C ATOM 878 CD1 ILE A 54 21.443 -18.119 3.333 1.00 33.44 C ATOM 0 H ILE A 54 24.843 -21.279 4.366 1.00 31.32 H new ATOM 0 HA ILE A 54 22.119 -22.195 3.742 1.00 2.42 H new ATOM 0 HB ILE A 54 23.438 -19.741 2.543 1.00 61.22 H new ATOM 0 HG12 ILE A 54 20.815 -20.042 4.098 1.00 70.55 H new ATOM 0 HG13 ILE A 54 22.302 -19.447 4.809 1.00 70.55 H new ATOM 0 HG21 ILE A 54 21.353 -19.623 1.189 1.00 73.52 H new ATOM 0 HG22 ILE A 54 22.240 -21.132 0.870 1.00 73.52 H new ATOM 0 HG23 ILE A 54 20.799 -21.150 1.915 1.00 73.52 H new ATOM 0 HD11 ILE A 54 20.867 -17.560 4.070 1.00 33.44 H new ATOM 0 HD12 ILE A 54 22.379 -17.597 3.132 1.00 33.44 H new ATOM 0 HD13 ILE A 54 20.869 -18.202 2.410 1.00 33.44 H new ATOM 991 N ASP A 61 29.218 -12.870 1.570 1.00 5.24 N ATOM 992 CA ASP A 61 28.089 -12.365 2.355 1.00 62.30 C ATOM 993 C ASP A 61 27.302 -11.323 1.596 1.00 23.25 C ATOM 994 O ASP A 61 26.155 -11.023 1.945 1.00 41.02 O ATOM 995 CB ASP A 61 28.570 -11.790 3.688 1.00 4.03 C ATOM 996 CG ASP A 61 29.094 -12.890 4.597 1.00 13.24 C ATOM 997 OD1 ASP A 61 28.874 -14.056 4.301 1.00 33.05 O ATOM 998 OD2 ASP A 61 29.731 -12.557 5.571 1.00 24.14 O ATOM 0 HA ASP A 61 27.428 -13.210 2.550 1.00 62.30 H new ATOM 0 HB2 ASP A 61 29.355 -11.056 3.509 1.00 4.03 H new ATOM 0 HB3 ASP A 61 27.750 -11.267 4.180 1.00 4.03 H new ATOM 1003 N GLN A 62 27.954 -10.694 0.632 1.00 12.52 N ATOM 1004 CA GLN A 62 27.340 -9.614 -0.124 1.00 34.33 C ATOM 1005 C GLN A 62 26.220 -10.107 -1.037 1.00 44.45 C ATOM 1006 O GLN A 62 25.365 -9.313 -1.457 1.00 1.43 O ATOM 1007 CB GLN A 62 28.385 -8.829 -0.930 1.00 0.02 C ATOM 1008 CG GLN A 62 29.301 -8.068 0.035 1.00 25.23 C ATOM 1009 CD GLN A 62 30.365 -7.295 -0.735 1.00 11.12 C ATOM 1010 OE1 GLN A 62 30.876 -7.780 -1.753 1.00 1.45 O ATOM 1011 NE2 GLN A 62 30.730 -6.123 -0.318 1.00 15.21 N ATOM 0 H GLN A 62 28.911 -10.913 0.354 1.00 12.52 H new ATOM 0 HA GLN A 62 26.892 -8.942 0.608 1.00 34.33 H new ATOM 0 HB2 GLN A 62 28.972 -9.510 -1.547 1.00 0.02 H new ATOM 0 HB3 GLN A 62 27.891 -8.132 -1.607 1.00 0.02 H new ATOM 0 HG2 GLN A 62 28.710 -7.380 0.640 1.00 25.23 H new ATOM 0 HG3 GLN A 62 29.777 -8.768 0.722 1.00 25.23 H new ATOM 0 HE21 GLN A 62 30.307 -5.726 0.521 1.00 15.21 H new ATOM 0 HE22 GLN A 62 31.440 -5.598 -0.829 1.00 15.21 H new ATOM 1020 N GLU A 63 26.271 -11.373 -1.433 1.00 4.31 N ATOM 1021 CA GLU A 63 25.289 -11.887 -2.386 1.00 63.23 C ATOM 1022 C GLU A 63 23.848 -11.656 -1.922 1.00 22.23 C ATOM 1023 O GLU A 63 23.578 -11.474 -0.723 1.00 10.12 O ATOM 1024 CB GLU A 63 25.537 -13.361 -2.758 1.00 4.24 C ATOM 1025 CG GLU A 63 25.230 -14.291 -1.586 1.00 13.54 C ATOM 1026 CD GLU A 63 25.430 -15.728 -2.036 1.00 55.25 C ATOM 1027 OE1 GLU A 63 24.665 -16.178 -2.867 1.00 33.23 O ATOM 1028 OE2 GLU A 63 26.347 -16.352 -1.566 1.00 51.42 O ATOM 0 H GLU A 63 26.965 -12.052 -1.119 1.00 4.31 H new ATOM 0 HA GLU A 63 25.427 -11.306 -3.298 1.00 63.23 H new ATOM 0 HB2 GLU A 63 24.916 -13.632 -3.612 1.00 4.24 H new ATOM 0 HB3 GLU A 63 26.575 -13.491 -3.065 1.00 4.24 H new ATOM 0 HG2 GLU A 63 25.884 -14.065 -0.744 1.00 13.54 H new ATOM 0 HG3 GLU A 63 24.206 -14.142 -1.244 1.00 13.54 H new ATOM 1035 N THR A 64 22.950 -11.590 -2.889 1.00 35.12 N ATOM 1036 CA THR A 64 21.548 -11.337 -2.638 1.00 71.14 C ATOM 1037 C THR A 64 20.901 -12.573 -2.017 1.00 54.02 C ATOM 1038 O THR A 64 21.317 -13.689 -2.294 1.00 2.04 O ATOM 1039 CB THR A 64 20.874 -10.989 -3.969 1.00 71.33 C ATOM 1040 OG1 THR A 64 21.717 -10.090 -4.697 1.00 5.15 O ATOM 1041 CG2 THR A 64 19.517 -10.325 -3.733 1.00 70.13 C ATOM 0 H THR A 64 23.178 -11.712 -3.876 1.00 35.12 H new ATOM 0 HA THR A 64 21.432 -10.507 -1.941 1.00 71.14 H new ATOM 0 HB THR A 64 20.718 -11.908 -4.535 1.00 71.33 H new ATOM 0 HG1 THR A 64 21.293 -9.864 -5.551 1.00 5.15 H new ATOM 0 HG21 THR A 64 19.057 -10.087 -4.692 1.00 70.13 H new ATOM 0 HG22 THR A 64 18.870 -11.006 -3.179 1.00 70.13 H new ATOM 0 HG23 THR A 64 19.655 -9.409 -3.159 1.00 70.13 H new ATOM 1049 N LEU A 65 19.852 -12.374 -1.222 1.00 11.25 N ATOM 1050 CA LEU A 65 19.175 -13.508 -0.587 1.00 22.02 C ATOM 1051 C LEU A 65 18.628 -14.411 -1.669 1.00 11.33 C ATOM 1052 O LEU A 65 18.595 -15.639 -1.525 1.00 62.22 O ATOM 1053 CB LEU A 65 17.997 -13.045 0.285 1.00 34.52 C ATOM 1054 CG LEU A 65 18.477 -12.183 1.457 1.00 14.33 C ATOM 1055 CD1 LEU A 65 17.270 -11.747 2.284 1.00 43.21 C ATOM 1056 CD2 LEU A 65 19.453 -12.957 2.341 1.00 30.03 C ATOM 0 H LEU A 65 19.457 -11.459 -1.004 1.00 11.25 H new ATOM 0 HA LEU A 65 19.897 -14.026 0.044 1.00 22.02 H new ATOM 0 HB2 LEU A 65 17.293 -12.477 -0.323 1.00 34.52 H new ATOM 0 HB3 LEU A 65 17.460 -13.914 0.666 1.00 34.52 H new ATOM 0 HG LEU A 65 18.995 -11.310 1.061 1.00 14.33 H new ATOM 0 HD11 LEU A 65 17.604 -11.133 3.120 1.00 43.21 H new ATOM 0 HD12 LEU A 65 16.590 -11.169 1.658 1.00 43.21 H new ATOM 0 HD13 LEU A 65 16.753 -12.628 2.665 1.00 43.21 H new ATOM 0 HD21 LEU A 65 19.779 -12.323 3.165 1.00 30.03 H new ATOM 0 HD22 LEU A 65 18.959 -13.844 2.738 1.00 30.03 H new ATOM 0 HD23 LEU A 65 20.319 -13.258 1.751 1.00 30.03 H new ATOM 1068 N HIS A 66 18.130 -13.790 -2.722 1.00 73.23 N ATOM 1069 CA HIS A 66 17.525 -14.508 -3.829 1.00 34.14 C ATOM 1070 C HIS A 66 18.367 -15.721 -4.251 1.00 10.32 C ATOM 1071 O HIS A 66 17.826 -16.699 -4.758 1.00 1.13 O ATOM 1072 CB HIS A 66 17.295 -13.575 -5.022 1.00 25.42 C ATOM 1073 CG HIS A 66 16.233 -14.152 -5.921 1.00 52.33 C ATOM 1074 ND1 HIS A 66 16.463 -15.265 -6.712 1.00 11.11 N ATOM 1075 CD2 HIS A 66 14.942 -13.766 -6.184 1.00 15.50 C ATOM 1076 CE1 HIS A 66 15.339 -15.503 -7.412 1.00 44.55 C ATOM 1077 NE2 HIS A 66 14.381 -14.618 -7.127 1.00 53.54 N ATOM 0 H HIS A 66 18.133 -12.776 -2.834 1.00 73.23 H new ATOM 0 HA HIS A 66 16.560 -14.880 -3.484 1.00 34.14 H new ATOM 0 HB2 HIS A 66 16.991 -12.589 -4.671 1.00 25.42 H new ATOM 0 HB3 HIS A 66 18.224 -13.444 -5.578 1.00 25.42 H new ATOM 0 HD1 HIS A 66 17.327 -15.806 -6.756 1.00 11.11 H new ATOM 0 HD2 HIS A 66 14.439 -12.927 -5.727 1.00 15.50 H new ATOM 0 HE1 HIS A 66 15.226 -16.312 -8.119 1.00 44.55 H new ATOM 1086 N SER A 67 19.681 -15.674 -4.018 1.00 14.51 N ATOM 1087 CA SER A 67 20.539 -16.807 -4.368 1.00 21.22 C ATOM 1088 C SER A 67 20.093 -18.048 -3.605 1.00 5.04 C ATOM 1089 O SER A 67 20.048 -19.152 -4.155 1.00 31.30 O ATOM 1090 CB SER A 67 22.003 -16.500 -4.052 1.00 53.23 C ATOM 1091 OG SER A 67 22.146 -16.207 -2.670 1.00 52.30 O ATOM 0 H SER A 67 20.166 -14.881 -3.597 1.00 14.51 H new ATOM 0 HA SER A 67 20.450 -16.988 -5.439 1.00 21.22 H new ATOM 0 HB2 SER A 67 22.628 -17.352 -4.319 1.00 53.23 H new ATOM 0 HB3 SER A 67 22.344 -15.654 -4.649 1.00 53.23 H new ATOM 0 HG SER A 67 23.040 -16.474 -2.370 1.00 52.30 H new ATOM 1097 N HIS A 68 19.647 -17.834 -2.379 1.00 71.23 N ATOM 1098 CA HIS A 68 19.080 -18.895 -1.559 1.00 44.15 C ATOM 1099 C HIS A 68 17.733 -19.317 -2.145 1.00 51.40 C ATOM 1100 O HIS A 68 17.086 -20.252 -1.662 1.00 71.43 O ATOM 1101 CB HIS A 68 18.933 -18.411 -0.102 1.00 24.14 C ATOM 1102 CG HIS A 68 18.227 -19.439 0.749 1.00 33.13 C ATOM 1103 ND1 HIS A 68 18.654 -20.756 0.839 1.00 40.22 N ATOM 1104 CD2 HIS A 68 17.142 -19.341 1.581 1.00 74.41 C ATOM 1105 CE1 HIS A 68 17.831 -21.386 1.705 1.00 31.20 C ATOM 1106 NE2 HIS A 68 16.895 -20.566 2.184 1.00 62.11 N ATOM 0 H HIS A 68 19.667 -16.922 -1.923 1.00 71.23 H new ATOM 0 HA HIS A 68 19.743 -19.760 -1.557 1.00 44.15 H new ATOM 0 HB2 HIS A 68 19.918 -18.204 0.316 1.00 24.14 H new ATOM 0 HB3 HIS A 68 18.376 -17.475 -0.082 1.00 24.14 H new ATOM 0 HD2 HIS A 68 16.565 -18.443 1.743 1.00 74.41 H new ATOM 0 HE1 HIS A 68 17.920 -22.427 1.977 1.00 31.20 H new ATOM 0 HE2 HIS A 68 16.156 -20.791 2.850 1.00 62.11 H new ATOM 1115 N GLY A 69 17.310 -18.610 -3.179 1.00 24.31 N ATOM 1116 CA GLY A 69 16.048 -18.886 -3.837 1.00 1.43 C ATOM 1117 C GLY A 69 14.939 -18.068 -3.213 1.00 24.22 C ATOM 1118 O GLY A 69 13.767 -18.207 -3.577 1.00 54.34 O ATOM 0 H GLY A 69 17.831 -17.832 -3.583 1.00 24.31 H new ATOM 0 HA2 GLY A 69 16.126 -18.654 -4.899 1.00 1.43 H new ATOM 0 HA3 GLY A 69 15.814 -19.948 -3.759 1.00 1.43 H new ATOM 1122 N VAL A 70 15.306 -17.212 -2.277 1.00 14.11 N ATOM 1123 CA VAL A 70 14.339 -16.380 -1.595 1.00 2.23 C ATOM 1124 C VAL A 70 13.724 -15.395 -2.576 1.00 63.41 C ATOM 1125 O VAL A 70 14.435 -14.698 -3.295 1.00 21.42 O ATOM 1126 CB VAL A 70 15.024 -15.618 -0.448 1.00 22.03 C ATOM 1127 CG1 VAL A 70 14.019 -14.705 0.258 1.00 73.22 C ATOM 1128 CG2 VAL A 70 15.604 -16.612 0.558 1.00 4.51 C ATOM 0 H VAL A 70 16.270 -17.077 -1.973 1.00 14.11 H new ATOM 0 HA VAL A 70 13.551 -17.011 -1.183 1.00 2.23 H new ATOM 0 HB VAL A 70 15.826 -15.008 -0.863 1.00 22.03 H new ATOM 0 HG11 VAL A 70 14.518 -14.172 1.067 1.00 73.22 H new ATOM 0 HG12 VAL A 70 13.616 -13.986 -0.456 1.00 73.22 H new ATOM 0 HG13 VAL A 70 13.206 -15.306 0.666 1.00 73.22 H new ATOM 0 HG21 VAL A 70 16.088 -16.068 1.369 1.00 4.51 H new ATOM 0 HG22 VAL A 70 14.802 -17.229 0.963 1.00 4.51 H new ATOM 0 HG23 VAL A 70 16.336 -17.248 0.060 1.00 4.51 H new ATOM 1138 N ARG A 71 12.411 -15.307 -2.567 1.00 60.24 N ATOM 1139 CA ARG A 71 11.701 -14.359 -3.411 1.00 5.14 C ATOM 1140 C ARG A 71 10.373 -13.977 -2.794 1.00 73.44 C ATOM 1141 O ARG A 71 9.950 -12.823 -2.871 1.00 42.30 O ATOM 1142 CB ARG A 71 11.510 -14.895 -4.836 1.00 72.31 C ATOM 1143 CG ARG A 71 11.188 -16.395 -4.824 1.00 42.42 C ATOM 1144 CD ARG A 71 11.729 -17.028 -6.108 1.00 13.23 C ATOM 1145 NE ARG A 71 11.291 -16.276 -7.282 1.00 43.00 N ATOM 1146 CZ ARG A 71 11.803 -16.506 -8.491 1.00 42.14 C ATOM 1147 NH1 ARG A 71 12.702 -17.448 -8.651 1.00 15.55 N ATOM 1148 NH2 ARG A 71 11.411 -15.796 -9.506 1.00 31.11 N ATOM 0 H ARG A 71 11.807 -15.883 -1.981 1.00 60.24 H new ATOM 0 HA ARG A 71 12.316 -13.462 -3.482 1.00 5.14 H new ATOM 0 HB2 ARG A 71 10.703 -14.351 -5.327 1.00 72.31 H new ATOM 0 HB3 ARG A 71 12.414 -14.719 -5.418 1.00 72.31 H new ATOM 0 HG2 ARG A 71 11.637 -16.870 -3.951 1.00 42.42 H new ATOM 0 HG3 ARG A 71 10.111 -16.549 -4.752 1.00 42.42 H new ATOM 0 HD2 ARG A 71 12.818 -17.056 -6.074 1.00 13.23 H new ATOM 0 HD3 ARG A 71 11.386 -18.060 -6.183 1.00 13.23 H new ATOM 0 HE ARG A 71 10.576 -15.557 -7.174 1.00 43.00 H new ATOM 0 HH11 ARG A 71 13.008 -18.002 -7.851 1.00 15.55 H new ATOM 0 HH12 ARG A 71 13.095 -17.626 -9.575 1.00 15.55 H new ATOM 0 HH21 ARG A 71 10.713 -15.064 -9.377 1.00 31.11 H new ATOM 0 HH22 ARG A 71 11.802 -15.971 -10.432 1.00 31.11 H new ATOM 1162 N GLN A 72 9.748 -14.932 -2.133 1.00 22.33 N ATOM 1163 CA GLN A 72 8.496 -14.695 -1.441 1.00 11.22 C ATOM 1164 C GLN A 72 8.640 -14.986 0.029 1.00 63.41 C ATOM 1165 O GLN A 72 9.500 -15.771 0.441 1.00 54.20 O ATOM 1166 CB GLN A 72 7.375 -15.552 -2.029 1.00 72.22 C ATOM 1167 CG GLN A 72 7.034 -15.049 -3.425 1.00 11.44 C ATOM 1168 CD GLN A 72 5.970 -15.939 -4.041 1.00 64.24 C ATOM 1169 OE1 GLN A 72 4.778 -15.686 -3.874 1.00 55.53 O ATOM 1170 NE2 GLN A 72 6.321 -16.980 -4.724 1.00 55.43 N ATOM 0 H GLN A 72 10.092 -15.890 -2.061 1.00 22.33 H new ATOM 0 HA GLN A 72 8.237 -13.644 -1.572 1.00 11.22 H new ATOM 0 HB2 GLN A 72 7.685 -16.596 -2.072 1.00 72.22 H new ATOM 0 HB3 GLN A 72 6.494 -15.507 -1.389 1.00 72.22 H new ATOM 0 HG2 GLN A 72 6.677 -14.020 -3.375 1.00 11.44 H new ATOM 0 HG3 GLN A 72 7.927 -15.047 -4.050 1.00 11.44 H new ATOM 0 HE21 GLN A 72 7.310 -17.190 -4.862 1.00 55.43 H new ATOM 0 HE22 GLN A 72 5.609 -17.591 -5.124 1.00 55.43 H new ATOM 1179 N ASN A 73 7.774 -14.387 0.808 1.00 71.53 N ATOM 1180 CA ASN A 73 7.754 -14.599 2.248 1.00 20.42 C ATOM 1181 C ASN A 73 7.543 -16.066 2.550 1.00 52.02 C ATOM 1182 O ASN A 73 6.984 -16.798 1.736 1.00 44.32 O ATOM 1183 CB ASN A 73 6.633 -13.771 2.899 1.00 43.42 C ATOM 1184 CG ASN A 73 5.295 -14.494 2.780 1.00 52.31 C ATOM 1185 OD1 ASN A 73 4.795 -15.041 3.765 1.00 70.33 O ATOM 1186 ND2 ASN A 73 4.688 -14.527 1.637 1.00 55.51 N ATOM 0 H ASN A 73 7.062 -13.739 0.471 1.00 71.53 H new ATOM 0 HA ASN A 73 8.712 -14.279 2.659 1.00 20.42 H new ATOM 0 HB2 ASN A 73 6.866 -13.596 3.949 1.00 43.42 H new ATOM 0 HB3 ASN A 73 6.569 -12.794 2.419 1.00 43.42 H new ATOM 0 HD21 ASN A 73 3.792 -15.007 1.549 1.00 55.51 H new ATOM 0 HD22 ASN A 73 5.105 -14.073 0.825 1.00 55.51 H new ATOM 1193 N GLY A 74 8.000 -16.497 3.703 1.00 42.33 N ATOM 1194 CA GLY A 74 7.860 -17.883 4.096 1.00 72.21 C ATOM 1195 C GLY A 74 9.102 -18.679 3.758 1.00 53.51 C ATOM 1196 O GLY A 74 9.119 -19.908 3.901 1.00 53.41 O ATOM 0 H GLY A 74 8.473 -15.907 4.388 1.00 42.33 H new ATOM 0 HA2 GLY A 74 7.668 -17.942 5.167 1.00 72.21 H new ATOM 0 HA3 GLY A 74 6.997 -18.320 3.593 1.00 72.21 H new ATOM 1200 N ASP A 75 10.156 -17.986 3.340 1.00 74.32 N ATOM 1201 CA ASP A 75 11.409 -18.657 3.056 1.00 40.23 C ATOM 1202 C ASP A 75 12.142 -18.961 4.341 1.00 33.23 C ATOM 1203 O ASP A 75 11.868 -18.349 5.379 1.00 22.31 O ATOM 1204 CB ASP A 75 12.298 -17.867 2.097 1.00 54.44 C ATOM 1205 CG ASP A 75 13.123 -18.844 1.285 1.00 32.10 C ATOM 1206 OD1 ASP A 75 14.080 -19.361 1.806 1.00 43.04 O ATOM 1207 OD2 ASP A 75 12.761 -19.091 0.151 1.00 41.44 O ATOM 0 H ASP A 75 10.165 -16.977 3.194 1.00 74.32 H new ATOM 0 HA ASP A 75 11.165 -19.593 2.553 1.00 40.23 H new ATOM 0 HB2 ASP A 75 11.688 -17.249 1.438 1.00 54.44 H new ATOM 0 HB3 ASP A 75 12.949 -17.193 2.654 1.00 54.44 H new ATOM 1212 N SER A 76 13.015 -19.944 4.295 1.00 54.11 N ATOM 1213 CA SER A 76 13.708 -20.390 5.488 1.00 54.23 C ATOM 1214 C SER A 76 15.228 -20.358 5.320 1.00 1.51 C ATOM 1215 O SER A 76 15.754 -20.743 4.268 1.00 74.44 O ATOM 1216 CB SER A 76 13.242 -21.805 5.858 1.00 52.41 C ATOM 1217 OG SER A 76 12.746 -22.480 4.690 1.00 21.32 O ATOM 0 H SER A 76 13.263 -20.451 3.445 1.00 54.11 H new ATOM 0 HA SER A 76 13.461 -19.699 6.294 1.00 54.23 H new ATOM 0 HB2 SER A 76 14.069 -22.368 6.290 1.00 52.41 H new ATOM 0 HB3 SER A 76 12.461 -21.753 6.617 1.00 52.41 H new ATOM 0 HG SER A 76 12.452 -23.383 4.934 1.00 21.32 H new ATOM 1223 N ALA A 77 15.922 -19.938 6.378 1.00 33.13 N ATOM 1224 CA ALA A 77 17.391 -19.878 6.400 1.00 74.42 C ATOM 1225 C ALA A 77 17.928 -20.512 7.683 1.00 71.15 C ATOM 1226 O ALA A 77 17.150 -20.906 8.565 1.00 14.41 O ATOM 1227 CB ALA A 77 17.879 -18.428 6.287 1.00 5.24 C ATOM 0 H ALA A 77 15.485 -19.629 7.246 1.00 33.13 H new ATOM 0 HA ALA A 77 17.767 -20.437 5.543 1.00 74.42 H new ATOM 0 HB1 ALA A 77 18.969 -18.408 6.305 1.00 5.24 H new ATOM 0 HB2 ALA A 77 17.524 -17.997 5.351 1.00 5.24 H new ATOM 0 HB3 ALA A 77 17.491 -17.847 7.124 1.00 5.24 H new ATOM 1233 N TYR A 78 19.245 -20.686 7.762 1.00 12.02 N ATOM 1234 CA TYR A 78 19.848 -21.358 8.912 1.00 11.21 C ATOM 1235 C TYR A 78 20.987 -20.527 9.503 1.00 11.53 C ATOM 1236 O TYR A 78 21.859 -20.028 8.773 1.00 70.42 O ATOM 1237 CB TYR A 78 20.353 -22.739 8.481 1.00 33.45 C ATOM 1238 CG TYR A 78 19.280 -23.388 7.635 1.00 43.33 C ATOM 1239 CD1 TYR A 78 18.211 -24.048 8.241 1.00 61.00 C ATOM 1240 CD2 TYR A 78 19.344 -23.297 6.237 1.00 21.22 C ATOM 1241 CE1 TYR A 78 17.207 -24.622 7.456 1.00 1.34 C ATOM 1242 CE2 TYR A 78 18.336 -23.870 5.452 1.00 41.13 C ATOM 1243 CZ TYR A 78 17.267 -24.531 6.065 1.00 43.02 C ATOM 1244 OH TYR A 78 16.278 -25.095 5.298 1.00 40.42 O ATOM 0 H TYR A 78 19.909 -20.375 7.053 1.00 12.02 H new ATOM 0 HA TYR A 78 19.093 -21.474 9.689 1.00 11.21 H new ATOM 0 HB2 TYR A 78 21.280 -22.646 7.915 1.00 33.45 H new ATOM 0 HB3 TYR A 78 20.573 -23.353 9.354 1.00 33.45 H new ATOM 0 HD1 TYR A 78 18.159 -24.116 9.318 1.00 61.00 H new ATOM 0 HD2 TYR A 78 20.170 -22.785 5.766 1.00 21.22 H new ATOM 0 HE1 TYR A 78 16.383 -25.137 7.927 1.00 1.34 H new ATOM 0 HE2 TYR A 78 18.384 -23.802 4.375 1.00 41.13 H new ATOM 0 HH TYR A 78 16.471 -24.940 4.350 1.00 40.42 H new ATOM 1254 N LEU A 79 20.970 -20.384 10.820 1.00 25.24 N ATOM 1255 CA LEU A 79 21.968 -19.611 11.546 1.00 53.21 C ATOM 1256 C LEU A 79 22.455 -20.405 12.762 1.00 53.55 C ATOM 1257 O LEU A 79 21.645 -20.989 13.492 1.00 62.25 O ATOM 1258 CB LEU A 79 21.346 -18.276 11.995 1.00 53.33 C ATOM 1259 CG LEU A 79 22.426 -17.312 12.509 1.00 44.43 C ATOM 1260 CD1 LEU A 79 21.902 -15.872 12.434 1.00 75.51 C ATOM 1261 CD2 LEU A 79 22.786 -17.647 13.961 1.00 71.21 C ATOM 0 H LEU A 79 20.259 -20.804 11.419 1.00 25.24 H new ATOM 0 HA LEU A 79 22.821 -19.410 10.897 1.00 53.21 H new ATOM 0 HB2 LEU A 79 20.813 -17.820 11.161 1.00 53.33 H new ATOM 0 HB3 LEU A 79 20.612 -18.458 12.780 1.00 53.33 H new ATOM 0 HG LEU A 79 23.317 -17.414 11.889 1.00 44.43 H new ATOM 0 HD11 LEU A 79 22.667 -15.187 12.798 1.00 75.51 H new ATOM 0 HD12 LEU A 79 21.658 -15.627 11.400 1.00 75.51 H new ATOM 0 HD13 LEU A 79 21.008 -15.778 13.050 1.00 75.51 H new ATOM 0 HD21 LEU A 79 23.552 -16.957 14.314 1.00 71.21 H new ATOM 0 HD22 LEU A 79 21.898 -17.554 14.587 1.00 71.21 H new ATOM 0 HD23 LEU A 79 23.164 -18.668 14.016 1.00 71.21 H new ATOM 1273 N TYR A 80 23.763 -20.453 12.968 1.00 5.12 N ATOM 1274 CA TYR A 80 24.336 -21.183 14.102 1.00 41.02 C ATOM 1275 C TYR A 80 25.217 -20.256 14.931 1.00 42.44 C ATOM 1276 O TYR A 80 25.944 -19.435 14.375 1.00 55.24 O ATOM 1277 CB TYR A 80 25.161 -22.389 13.619 1.00 20.13 C ATOM 1278 CG TYR A 80 25.153 -23.451 14.695 1.00 72.33 C ATOM 1279 CD1 TYR A 80 25.923 -23.286 15.853 1.00 32.42 C ATOM 1280 CD2 TYR A 80 24.358 -24.593 14.543 1.00 60.13 C ATOM 1281 CE1 TYR A 80 25.894 -24.257 16.855 1.00 4.45 C ATOM 1282 CE2 TYR A 80 24.325 -25.559 15.547 1.00 34.21 C ATOM 1283 CZ TYR A 80 25.096 -25.394 16.701 1.00 1.20 C ATOM 1284 OH TYR A 80 25.048 -26.345 17.691 1.00 2.11 O ATOM 0 H TYR A 80 24.451 -19.998 12.369 1.00 5.12 H new ATOM 0 HA TYR A 80 23.515 -21.549 14.719 1.00 41.02 H new ATOM 0 HB2 TYR A 80 24.742 -22.786 12.694 1.00 20.13 H new ATOM 0 HB3 TYR A 80 26.184 -22.082 13.400 1.00 20.13 H new ATOM 0 HD1 TYR A 80 26.539 -22.407 15.971 1.00 32.42 H new ATOM 0 HD2 TYR A 80 23.770 -24.726 13.647 1.00 60.13 H new ATOM 0 HE1 TYR A 80 26.487 -24.130 17.748 1.00 4.45 H new ATOM 0 HE2 TYR A 80 23.704 -26.435 15.433 1.00 34.21 H new ATOM 0 HH TYR A 80 24.196 -26.276 18.170 1.00 2.11 H new ATOM 1294 N LEU A 81 25.134 -20.363 16.249 1.00 0.03 N ATOM 1295 CA LEU A 81 25.940 -19.515 17.134 1.00 31.14 C ATOM 1296 C LEU A 81 27.157 -20.264 17.660 1.00 52.43 C ATOM 1297 O LEU A 81 27.045 -21.401 18.119 1.00 25.33 O ATOM 1298 CB LEU A 81 25.117 -18.998 18.322 1.00 11.44 C ATOM 1299 CG LEU A 81 24.254 -17.802 17.895 1.00 63.32 C ATOM 1300 CD1 LEU A 81 23.076 -18.284 17.059 1.00 74.33 C ATOM 1301 CD2 LEU A 81 23.731 -17.079 19.140 1.00 62.13 C ATOM 0 H LEU A 81 24.523 -21.022 16.733 1.00 0.03 H new ATOM 0 HA LEU A 81 26.272 -18.666 16.536 1.00 31.14 H new ATOM 0 HB2 LEU A 81 24.481 -19.795 18.706 1.00 11.44 H new ATOM 0 HB3 LEU A 81 25.783 -18.703 19.133 1.00 11.44 H new ATOM 0 HG LEU A 81 24.860 -17.118 17.301 1.00 63.32 H new ATOM 0 HD11 LEU A 81 22.468 -17.430 16.760 1.00 74.33 H new ATOM 0 HD12 LEU A 81 23.446 -18.795 16.170 1.00 74.33 H new ATOM 0 HD13 LEU A 81 22.469 -18.972 17.648 1.00 74.33 H new ATOM 0 HD21 LEU A 81 23.118 -16.230 18.837 1.00 62.13 H new ATOM 0 HD22 LEU A 81 23.130 -17.767 19.734 1.00 62.13 H new ATOM 0 HD23 LEU A 81 24.572 -16.725 19.736 1.00 62.13 H new ATOM 1313 N LEU A 82 28.304 -19.605 17.631 1.00 41.20 N ATOM 1314 CA LEU A 82 29.537 -20.172 18.173 1.00 33.24 C ATOM 1315 C LEU A 82 29.660 -19.838 19.650 1.00 52.35 C ATOM 1316 O LEU A 82 29.219 -18.774 20.087 1.00 61.23 O ATOM 1317 CB LEU A 82 30.765 -19.652 17.412 1.00 34.41 C ATOM 1318 CG LEU A 82 31.004 -20.487 16.129 1.00 5.31 C ATOM 1319 CD1 LEU A 82 31.709 -21.795 16.484 1.00 4.22 C ATOM 1320 CD2 LEU A 82 29.672 -20.803 15.437 1.00 74.54 C ATOM 0 H LEU A 82 28.411 -18.671 17.236 1.00 41.20 H new ATOM 0 HA LEU A 82 29.495 -21.254 18.052 1.00 33.24 H new ATOM 0 HB2 LEU A 82 30.620 -18.604 17.149 1.00 34.41 H new ATOM 0 HB3 LEU A 82 31.645 -19.701 18.054 1.00 34.41 H new ATOM 0 HG LEU A 82 31.628 -19.905 15.451 1.00 5.31 H new ATOM 0 HD11 LEU A 82 31.874 -22.377 15.577 1.00 4.22 H new ATOM 0 HD12 LEU A 82 32.668 -21.576 16.954 1.00 4.22 H new ATOM 0 HD13 LEU A 82 31.089 -22.367 17.175 1.00 4.22 H new ATOM 0 HD21 LEU A 82 29.859 -21.390 14.538 1.00 74.54 H new ATOM 0 HD22 LEU A 82 29.035 -21.371 16.115 1.00 74.54 H new ATOM 0 HD23 LEU A 82 29.173 -19.873 15.165 1.00 74.54 H new