USER MOD reduce.3.24.130724 H: found=0, std=0, add=872, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 869 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 65 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 164:sc= 1.39 (180deg=0.925) USER MOD Single : A 8 SER OG : rot 178:sc= -0.328 USER MOD Single : A 11 LYS NZ :NH3+ 165:sc= -0.0219 (180deg=-0.25) USER MOD Single : A 14 SER OG : rot 180:sc= 0.0465 USER MOD Single : A 15 SER OG : rot 72:sc= 0.742 USER MOD Single : A 16 MET CE :methyl 147:sc= -0.139 (180deg=-1.27) USER MOD Single : A 18 SER OG : rot -148:sc= 0.352 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 62:sc= -1.11 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc=-0.00196 X(o=-0.002,f=-0.002) USER MOD Single : A 42 ASN : amide:sc= -1.01 X(o=-1,f=-0.87) USER MOD Single : A 43 THR OG1 : rot 52:sc= 0.116 USER MOD Single : A 48 HIS : no HD1:sc= -0.0458 X(o=-0.046,f=-0.14) USER MOD Single : A 50 THR OG1 : rot 180:sc=-0.000142 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 63:sc= 1.27 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 170:sc= -0.523 USER MOD Single : A 70 ASN : amide:sc= -0.142 X(o=-0.14,f=0.13) USER MOD Single : A 74 ASN : amide:sc= 0.324 K(o=0.32,f=-0.71) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.0282 USER MOD Single : A 80 LYS NZ :NH3+ -100:sc= -0.435 (180deg=-1.37!) USER MOD Single : A 85 LYS NZ :NH3+ 162:sc=-0.00925 (180deg=-0.153) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0.0208 USER MOD Single : A 95 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 102 SER OG : rot -77:sc= 0.584 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.702 1.114 11.022 1.00 0.00 N ATOM 2 CA MET A 1 11.761 -0.220 10.431 1.00 0.00 C ATOM 3 C MET A 1 10.371 -0.819 10.517 1.00 0.00 C ATOM 4 O MET A 1 9.871 -1.040 11.618 1.00 0.00 O ATOM 5 CB MET A 1 12.805 -1.117 11.110 1.00 0.00 C ATOM 6 CG MET A 1 14.224 -0.671 10.746 1.00 0.00 C ATOM 7 SD MET A 1 14.779 0.911 11.441 1.00 0.00 S ATOM 8 CE MET A 1 15.186 0.356 13.111 1.00 0.00 C ATOM 0 H1 MET A 1 12.666 1.445 11.228 1.00 0.00 H new ATOM 0 H2 MET A 1 11.246 1.769 10.356 1.00 0.00 H new ATOM 0 H3 MET A 1 11.152 1.079 11.904 1.00 0.00 H new ATOM 0 HA MET A 1 12.080 -0.144 9.391 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.674 -1.081 12.191 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.655 -2.153 10.805 1.00 0.00 H new ATOM 0 HG2 MET A 1 14.919 -1.447 11.067 1.00 0.00 H new ATOM 0 HG3 MET A 1 14.294 -0.610 9.660 1.00 0.00 H new ATOM 0 HE1 MET A 1 15.550 1.200 13.697 1.00 0.00 H new ATOM 0 HE2 MET A 1 14.295 -0.057 13.584 1.00 0.00 H new ATOM 0 HE3 MET A 1 15.959 -0.411 13.061 1.00 0.00 H new ATOM 18 N ALA A 2 9.712 -0.992 9.374 1.00 0.00 N ATOM 19 CA ALA A 2 8.472 -1.722 9.228 1.00 0.00 C ATOM 20 C ALA A 2 8.306 -2.109 7.762 1.00 0.00 C ATOM 21 O ALA A 2 8.738 -1.374 6.866 1.00 0.00 O ATOM 22 CB ALA A 2 7.306 -0.819 9.616 1.00 0.00 C ATOM 0 H ALA A 2 10.049 -0.608 8.491 1.00 0.00 H new ATOM 0 HA ALA A 2 8.489 -2.607 9.864 1.00 0.00 H new ATOM 0 HB1 ALA A 2 6.370 -1.367 9.507 1.00 0.00 H new ATOM 0 HB2 ALA A 2 7.422 -0.501 10.652 1.00 0.00 H new ATOM 0 HB3 ALA A 2 7.292 0.056 8.967 1.00 0.00 H new ATOM 28 N ARG A 3 7.568 -3.185 7.510 1.00 0.00 N ATOM 29 CA ARG A 3 7.337 -3.713 6.175 1.00 0.00 C ATOM 30 C ARG A 3 6.282 -2.869 5.501 1.00 0.00 C ATOM 31 O ARG A 3 5.166 -2.755 6.015 1.00 0.00 O ATOM 32 CB ARG A 3 6.878 -5.172 6.276 1.00 0.00 C ATOM 33 CG ARG A 3 8.108 -6.083 6.228 1.00 0.00 C ATOM 34 CD ARG A 3 7.999 -7.378 7.031 1.00 0.00 C ATOM 35 NE ARG A 3 7.232 -8.449 6.371 1.00 0.00 N ATOM 36 CZ ARG A 3 7.665 -9.706 6.187 1.00 0.00 C ATOM 37 NH1 ARG A 3 8.929 -10.058 6.384 1.00 0.00 N ATOM 38 NH2 ARG A 3 6.787 -10.639 5.856 1.00 0.00 N ATOM 0 H ARG A 3 7.106 -3.723 8.243 1.00 0.00 H new ATOM 0 HA ARG A 3 8.254 -3.681 5.587 1.00 0.00 H new ATOM 0 HB2 ARG A 3 6.327 -5.331 7.203 1.00 0.00 H new ATOM 0 HB3 ARG A 3 6.199 -5.411 5.457 1.00 0.00 H new ATOM 0 HG2 ARG A 3 8.310 -6.337 5.187 1.00 0.00 H new ATOM 0 HG3 ARG A 3 8.969 -5.522 6.592 1.00 0.00 H new ATOM 0 HD2 ARG A 3 9.004 -7.745 7.240 1.00 0.00 H new ATOM 0 HD3 ARG A 3 7.534 -7.156 7.992 1.00 0.00 H new ATOM 0 HE ARG A 3 6.300 -8.217 6.027 1.00 0.00 H new ATOM 0 HH11 ARG A 3 9.611 -9.362 6.686 1.00 0.00 H new ATOM 0 HH12 ARG A 3 9.219 -11.024 6.233 1.00 0.00 H new ATOM 0 HH21 ARG A 3 5.802 -10.397 5.745 1.00 0.00 H new ATOM 0 HH22 ARG A 3 7.095 -11.601 5.711 1.00 0.00 H new ATOM 52 N VAL A 4 6.646 -2.248 4.378 1.00 0.00 N ATOM 53 CA VAL A 4 5.795 -1.271 3.705 1.00 0.00 C ATOM 54 C VAL A 4 5.201 -1.867 2.462 1.00 0.00 C ATOM 55 O VAL A 4 5.935 -2.491 1.694 1.00 0.00 O ATOM 56 CB VAL A 4 6.584 0.041 3.470 1.00 0.00 C ATOM 57 CG1 VAL A 4 7.391 0.179 2.190 1.00 0.00 C ATOM 58 CG2 VAL A 4 5.682 1.265 3.541 1.00 0.00 C ATOM 0 H VAL A 4 7.539 -2.409 3.911 1.00 0.00 H new ATOM 0 HA VAL A 4 4.947 -1.004 4.336 1.00 0.00 H new ATOM 0 HB VAL A 4 7.306 -0.020 4.284 1.00 0.00 H new ATOM 0 HG11 VAL A 4 7.884 1.151 2.174 1.00 0.00 H new ATOM 0 HG12 VAL A 4 8.142 -0.610 2.146 1.00 0.00 H new ATOM 0 HG13 VAL A 4 6.726 0.095 1.330 1.00 0.00 H new ATOM 0 HG21 VAL A 4 6.274 2.164 3.371 1.00 0.00 H new ATOM 0 HG22 VAL A 4 4.907 1.191 2.778 1.00 0.00 H new ATOM 0 HG23 VAL A 4 5.217 1.318 4.526 1.00 0.00 H new ATOM 68 N ALA A 5 3.865 -1.847 2.337 1.00 0.00 N ATOM 69 CA ALA A 5 3.246 -2.519 1.209 1.00 0.00 C ATOM 70 C ALA A 5 3.054 -1.416 0.181 1.00 0.00 C ATOM 71 O ALA A 5 2.261 -0.504 0.438 1.00 0.00 O ATOM 72 CB ALA A 5 1.907 -3.134 1.607 1.00 0.00 C ATOM 0 H ALA A 5 3.222 -1.388 2.982 1.00 0.00 H new ATOM 0 HA ALA A 5 3.851 -3.343 0.830 1.00 0.00 H new ATOM 0 HB1 ALA A 5 1.464 -3.631 0.744 1.00 0.00 H new ATOM 0 HB2 ALA A 5 2.063 -3.861 2.404 1.00 0.00 H new ATOM 0 HB3 ALA A 5 1.236 -2.350 1.957 1.00 0.00 H new ATOM 78 N ILE A 6 3.767 -1.422 -0.937 1.00 0.00 N ATOM 79 CA ILE A 6 3.555 -0.417 -1.975 1.00 0.00 C ATOM 80 C ILE A 6 2.602 -1.038 -3.009 1.00 0.00 C ATOM 81 O ILE A 6 2.852 -2.156 -3.464 1.00 0.00 O ATOM 82 CB ILE A 6 4.863 0.103 -2.584 1.00 0.00 C ATOM 83 CG1 ILE A 6 5.933 0.439 -1.530 1.00 0.00 C ATOM 84 CG2 ILE A 6 4.583 1.320 -3.473 1.00 0.00 C ATOM 85 CD1 ILE A 6 6.887 -0.743 -1.303 1.00 0.00 C ATOM 0 H ILE A 6 4.493 -2.106 -1.150 1.00 0.00 H new ATOM 0 HA ILE A 6 3.105 0.479 -1.548 1.00 0.00 H new ATOM 0 HB ILE A 6 5.272 -0.707 -3.188 1.00 0.00 H new ATOM 0 HG12 ILE A 6 6.502 1.311 -1.852 1.00 0.00 H new ATOM 0 HG13 ILE A 6 5.449 0.704 -0.590 1.00 0.00 H new ATOM 0 HG21 ILE A 6 5.518 1.681 -3.900 1.00 0.00 H new ATOM 0 HG22 ILE A 6 3.903 1.035 -4.276 1.00 0.00 H new ATOM 0 HG23 ILE A 6 4.128 2.110 -2.876 1.00 0.00 H new ATOM 0 HD11 ILE A 6 7.630 -0.472 -0.553 1.00 0.00 H new ATOM 0 HD12 ILE A 6 6.320 -1.607 -0.956 1.00 0.00 H new ATOM 0 HD13 ILE A 6 7.389 -0.990 -2.238 1.00 0.00 H new ATOM 97 N PRO A 7 1.467 -0.384 -3.307 1.00 0.00 N ATOM 98 CA PRO A 7 0.472 -0.823 -4.256 1.00 0.00 C ATOM 99 C PRO A 7 0.979 -0.527 -5.660 1.00 0.00 C ATOM 100 O PRO A 7 1.094 0.634 -6.045 1.00 0.00 O ATOM 101 CB PRO A 7 -0.766 0.009 -3.930 1.00 0.00 C ATOM 102 CG PRO A 7 -0.266 1.295 -3.320 1.00 0.00 C ATOM 103 CD PRO A 7 1.092 0.914 -2.791 1.00 0.00 C ATOM 0 HA PRO A 7 0.256 -1.890 -4.203 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -1.349 0.207 -4.830 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -1.419 -0.521 -3.237 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -0.202 2.094 -4.059 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -0.924 1.648 -2.526 1.00 0.00 H new ATOM 0 HD2 PRO A 7 1.830 1.660 -3.084 1.00 0.00 H new ATOM 0 HD3 PRO A 7 1.076 0.893 -1.701 1.00 0.00 H new ATOM 111 N SER A 8 1.278 -1.564 -6.417 1.00 0.00 N ATOM 112 CA SER A 8 1.747 -1.491 -7.785 1.00 0.00 C ATOM 113 C SER A 8 0.625 -1.979 -8.711 1.00 0.00 C ATOM 114 O SER A 8 -0.415 -2.483 -8.263 1.00 0.00 O ATOM 115 CB SER A 8 2.984 -2.386 -7.845 1.00 0.00 C ATOM 116 OG SER A 8 3.513 -2.552 -9.136 1.00 0.00 O ATOM 0 H SER A 8 1.197 -2.523 -6.079 1.00 0.00 H new ATOM 0 HA SER A 8 2.007 -0.482 -8.104 1.00 0.00 H new ATOM 0 HB2 SER A 8 3.755 -1.965 -7.200 1.00 0.00 H new ATOM 0 HB3 SER A 8 2.730 -3.366 -7.440 1.00 0.00 H new ATOM 0 HG SER A 8 4.319 -3.107 -9.090 1.00 0.00 H new ATOM 122 N VAL A 9 0.850 -1.877 -10.018 1.00 0.00 N ATOM 123 CA VAL A 9 0.040 -2.516 -11.046 1.00 0.00 C ATOM 124 C VAL A 9 0.958 -3.215 -12.070 1.00 0.00 C ATOM 125 O VAL A 9 0.673 -3.282 -13.268 1.00 0.00 O ATOM 126 CB VAL A 9 -0.884 -1.462 -11.700 1.00 0.00 C ATOM 127 CG1 VAL A 9 -1.840 -0.796 -10.693 1.00 0.00 C ATOM 128 CG2 VAL A 9 -0.107 -0.325 -12.381 1.00 0.00 C ATOM 0 H VAL A 9 1.623 -1.332 -10.400 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.598 -3.284 -10.608 1.00 0.00 H new ATOM 0 HB VAL A 9 -1.446 -2.034 -12.438 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -2.463 -0.066 -11.210 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.474 -1.556 -10.236 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.260 -0.294 -9.918 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -0.809 0.383 -12.821 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.510 0.187 -11.643 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.531 -0.737 -13.163 1.00 0.00 H new ATOM 138 N GLY A 10 2.040 -3.824 -11.588 1.00 0.00 N ATOM 139 CA GLY A 10 2.955 -4.640 -12.373 1.00 0.00 C ATOM 140 C GLY A 10 3.885 -5.407 -11.431 1.00 0.00 C ATOM 141 O GLY A 10 3.656 -5.420 -10.223 1.00 0.00 O ATOM 0 H GLY A 10 2.310 -3.759 -10.607 1.00 0.00 H new ATOM 0 HA2 GLY A 10 2.395 -5.337 -12.997 1.00 0.00 H new ATOM 0 HA3 GLY A 10 3.538 -4.009 -13.044 1.00 0.00 H new ATOM 145 N LYS A 11 4.933 -6.065 -11.931 1.00 0.00 N ATOM 146 CA LYS A 11 5.823 -6.923 -11.137 1.00 0.00 C ATOM 147 C LYS A 11 7.283 -6.542 -11.385 1.00 0.00 C ATOM 148 O LYS A 11 8.086 -7.305 -11.920 1.00 0.00 O ATOM 149 CB LYS A 11 5.471 -8.411 -11.311 1.00 0.00 C ATOM 150 CG LYS A 11 5.482 -8.910 -12.756 1.00 0.00 C ATOM 151 CD LYS A 11 4.965 -10.353 -12.844 1.00 0.00 C ATOM 152 CE LYS A 11 5.042 -10.853 -14.287 1.00 0.00 C ATOM 153 NZ LYS A 11 6.439 -10.963 -14.757 1.00 0.00 N ATOM 0 H LYS A 11 5.194 -6.017 -12.916 1.00 0.00 H new ATOM 0 HA LYS A 11 5.666 -6.748 -10.073 1.00 0.00 H new ATOM 0 HB2 LYS A 11 6.176 -9.006 -10.731 1.00 0.00 H new ATOM 0 HB3 LYS A 11 4.482 -8.587 -10.889 1.00 0.00 H new ATOM 0 HG2 LYS A 11 4.863 -8.260 -13.374 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.495 -8.858 -13.155 1.00 0.00 H new ATOM 0 HD2 LYS A 11 5.556 -10.999 -12.195 1.00 0.00 H new ATOM 0 HD3 LYS A 11 3.936 -10.401 -12.489 1.00 0.00 H new ATOM 0 HE2 LYS A 11 4.556 -11.826 -14.361 1.00 0.00 H new ATOM 0 HE3 LYS A 11 4.492 -10.172 -14.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 6.469 -11.534 -15.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 6.815 -10.013 -14.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 7.017 -11.420 -14.023 1.00 0.00 H new ATOM 167 N ASP A 12 7.621 -5.323 -10.979 1.00 0.00 N ATOM 168 CA ASP A 12 8.979 -4.791 -10.891 1.00 0.00 C ATOM 169 C ASP A 12 8.973 -3.656 -9.879 1.00 0.00 C ATOM 170 O ASP A 12 7.992 -2.923 -9.751 1.00 0.00 O ATOM 171 CB ASP A 12 9.453 -4.205 -12.236 1.00 0.00 C ATOM 172 CG ASP A 12 10.522 -5.047 -12.925 1.00 0.00 C ATOM 173 OD1 ASP A 12 11.544 -5.362 -12.278 1.00 0.00 O ATOM 174 OD2 ASP A 12 10.351 -5.380 -14.124 1.00 0.00 O ATOM 0 H ASP A 12 6.919 -4.643 -10.687 1.00 0.00 H new ATOM 0 HA ASP A 12 9.647 -5.604 -10.606 1.00 0.00 H new ATOM 0 HB2 ASP A 12 8.596 -4.105 -12.902 1.00 0.00 H new ATOM 0 HB3 ASP A 12 9.845 -3.202 -12.068 1.00 0.00 H new ATOM 179 N LEU A 13 10.123 -3.408 -9.272 1.00 0.00 N ATOM 180 CA LEU A 13 10.359 -2.290 -8.356 1.00 0.00 C ATOM 181 C LEU A 13 10.264 -0.957 -9.101 1.00 0.00 C ATOM 182 O LEU A 13 10.142 0.108 -8.503 1.00 0.00 O ATOM 183 CB LEU A 13 11.749 -2.501 -7.747 1.00 0.00 C ATOM 184 CG LEU A 13 12.067 -1.941 -6.352 1.00 0.00 C ATOM 185 CD1 LEU A 13 11.974 -0.423 -6.283 1.00 0.00 C ATOM 186 CD2 LEU A 13 11.236 -2.601 -5.248 1.00 0.00 C ATOM 0 H LEU A 13 10.947 -3.994 -9.404 1.00 0.00 H new ATOM 0 HA LEU A 13 9.606 -2.257 -7.569 1.00 0.00 H new ATOM 0 HB2 LEU A 13 11.929 -3.575 -7.714 1.00 0.00 H new ATOM 0 HB3 LEU A 13 12.475 -2.077 -8.440 1.00 0.00 H new ATOM 0 HG LEU A 13 13.110 -2.200 -6.170 1.00 0.00 H new ATOM 0 HD11 LEU A 13 12.210 -0.090 -5.272 1.00 0.00 H new ATOM 0 HD12 LEU A 13 12.682 0.017 -6.985 1.00 0.00 H new ATOM 0 HD13 LEU A 13 10.963 -0.108 -6.542 1.00 0.00 H new ATOM 0 HD21 LEU A 13 11.502 -2.167 -4.284 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.176 -2.434 -5.441 1.00 0.00 H new ATOM 0 HD23 LEU A 13 11.438 -3.672 -5.232 1.00 0.00 H new ATOM 198 N SER A 14 10.242 -0.993 -10.424 1.00 0.00 N ATOM 199 CA SER A 14 10.000 0.168 -11.242 1.00 0.00 C ATOM 200 C SER A 14 8.640 0.085 -11.944 1.00 0.00 C ATOM 201 O SER A 14 8.470 0.653 -13.027 1.00 0.00 O ATOM 202 CB SER A 14 11.140 0.161 -12.253 1.00 0.00 C ATOM 203 OG SER A 14 11.422 -1.148 -12.741 1.00 0.00 O ATOM 0 H SER A 14 10.395 -1.847 -10.961 1.00 0.00 H new ATOM 0 HA SER A 14 9.969 1.086 -10.654 1.00 0.00 H new ATOM 0 HB2 SER A 14 10.885 0.811 -13.090 1.00 0.00 H new ATOM 0 HB3 SER A 14 12.036 0.575 -11.790 1.00 0.00 H new ATOM 0 HG SER A 14 12.158 -1.105 -13.387 1.00 0.00 H new ATOM 209 N SER A 15 7.617 -0.467 -11.288 1.00 0.00 N ATOM 210 CA SER A 15 6.261 -0.451 -11.841 1.00 0.00 C ATOM 211 C SER A 15 5.486 0.740 -11.276 1.00 0.00 C ATOM 212 O SER A 15 5.920 1.325 -10.291 1.00 0.00 O ATOM 213 CB SER A 15 5.531 -1.744 -11.490 1.00 0.00 C ATOM 214 OG SER A 15 6.276 -2.865 -11.898 1.00 0.00 O ATOM 0 H SER A 15 7.700 -0.927 -10.381 1.00 0.00 H new ATOM 0 HA SER A 15 6.327 -0.363 -12.925 1.00 0.00 H new ATOM 0 HB2 SER A 15 5.358 -1.789 -10.415 1.00 0.00 H new ATOM 0 HB3 SER A 15 4.553 -1.757 -11.971 1.00 0.00 H new ATOM 0 HG SER A 15 7.057 -2.969 -11.315 1.00 0.00 H new ATOM 220 N MET A 16 4.334 1.113 -11.824 1.00 0.00 N ATOM 221 CA MET A 16 3.622 2.329 -11.432 1.00 0.00 C ATOM 222 C MET A 16 2.873 2.091 -10.117 1.00 0.00 C ATOM 223 O MET A 16 2.237 1.052 -9.930 1.00 0.00 O ATOM 224 CB MET A 16 2.611 2.687 -12.537 1.00 0.00 C ATOM 225 CG MET A 16 3.098 3.805 -13.467 1.00 0.00 C ATOM 226 SD MET A 16 2.223 5.398 -13.356 1.00 0.00 S ATOM 227 CE MET A 16 2.039 5.607 -11.563 1.00 0.00 C ATOM 0 H MET A 16 3.864 0.580 -12.556 1.00 0.00 H new ATOM 0 HA MET A 16 4.333 3.143 -11.295 1.00 0.00 H new ATOM 0 HB2 MET A 16 2.401 1.797 -13.130 1.00 0.00 H new ATOM 0 HB3 MET A 16 1.672 2.991 -12.075 1.00 0.00 H new ATOM 0 HG2 MET A 16 4.154 3.982 -13.263 1.00 0.00 H new ATOM 0 HG3 MET A 16 3.027 3.448 -14.495 1.00 0.00 H new ATOM 0 HE1 MET A 16 2.088 6.667 -11.313 1.00 0.00 H new ATOM 0 HE2 MET A 16 1.077 5.204 -11.247 1.00 0.00 H new ATOM 0 HE3 MET A 16 2.841 5.076 -11.051 1.00 0.00 H new ATOM 237 N VAL A 17 2.973 3.055 -9.198 1.00 0.00 N ATOM 238 CA VAL A 17 2.240 3.035 -7.929 1.00 0.00 C ATOM 239 C VAL A 17 0.791 3.459 -8.185 1.00 0.00 C ATOM 240 O VAL A 17 0.523 4.450 -8.861 1.00 0.00 O ATOM 241 CB VAL A 17 2.954 3.893 -6.860 1.00 0.00 C ATOM 242 CG1 VAL A 17 2.339 3.892 -5.457 1.00 0.00 C ATOM 243 CG2 VAL A 17 4.371 3.379 -6.676 1.00 0.00 C ATOM 0 H VAL A 17 3.568 3.876 -9.314 1.00 0.00 H new ATOM 0 HA VAL A 17 2.221 2.024 -7.521 1.00 0.00 H new ATOM 0 HB VAL A 17 2.875 4.907 -7.252 1.00 0.00 H new ATOM 0 HG11 VAL A 17 2.930 4.530 -4.800 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.318 4.270 -5.507 1.00 0.00 H new ATOM 0 HG13 VAL A 17 2.331 2.875 -5.064 1.00 0.00 H new ATOM 0 HG21 VAL A 17 4.881 3.980 -5.923 1.00 0.00 H new ATOM 0 HG22 VAL A 17 4.341 2.339 -6.351 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.909 3.449 -7.621 1.00 0.00 H new ATOM 253 N SER A 18 -0.142 2.673 -7.661 1.00 0.00 N ATOM 254 CA SER A 18 -1.578 2.821 -7.848 1.00 0.00 C ATOM 255 C SER A 18 -2.114 3.888 -6.900 1.00 0.00 C ATOM 256 O SER A 18 -1.685 3.972 -5.743 1.00 0.00 O ATOM 257 CB SER A 18 -2.211 1.449 -7.577 1.00 0.00 C ATOM 258 OG SER A 18 -3.598 1.421 -7.856 1.00 0.00 O ATOM 0 H SER A 18 0.094 1.878 -7.067 1.00 0.00 H new ATOM 0 HA SER A 18 -1.821 3.144 -8.860 1.00 0.00 H new ATOM 0 HB2 SER A 18 -1.708 0.696 -8.183 1.00 0.00 H new ATOM 0 HB3 SER A 18 -2.049 1.179 -6.533 1.00 0.00 H new ATOM 0 HG SER A 18 -4.042 0.799 -7.243 1.00 0.00 H new ATOM 264 N ASP A 19 -3.108 4.673 -7.343 1.00 0.00 N ATOM 265 CA ASP A 19 -3.624 5.770 -6.520 1.00 0.00 C ATOM 266 C ASP A 19 -4.725 5.264 -5.562 1.00 0.00 C ATOM 267 O ASP A 19 -5.739 5.918 -5.281 1.00 0.00 O ATOM 268 CB ASP A 19 -4.240 6.867 -7.411 1.00 0.00 C ATOM 269 CG ASP A 19 -3.282 7.639 -8.311 1.00 0.00 C ATOM 270 OD1 ASP A 19 -2.350 8.316 -7.813 1.00 0.00 O ATOM 271 OD2 ASP A 19 -3.571 7.675 -9.533 1.00 0.00 O ATOM 0 H ASP A 19 -3.562 4.570 -8.251 1.00 0.00 H new ATOM 0 HA ASP A 19 -2.787 6.171 -5.948 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -5.001 6.406 -8.041 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -4.751 7.582 -6.766 1.00 0.00 H new ATOM 276 N ARG A 20 -4.565 4.050 -5.042 1.00 0.00 N ATOM 277 CA ARG A 20 -5.609 3.306 -4.350 1.00 0.00 C ATOM 278 C ARG A 20 -4.902 2.094 -3.793 1.00 0.00 C ATOM 279 O ARG A 20 -4.310 1.331 -4.543 1.00 0.00 O ATOM 280 CB ARG A 20 -6.788 2.880 -5.270 1.00 0.00 C ATOM 281 CG ARG A 20 -6.584 3.054 -6.786 1.00 0.00 C ATOM 282 CD ARG A 20 -7.755 2.594 -7.662 1.00 0.00 C ATOM 283 NE ARG A 20 -7.805 3.401 -8.889 1.00 0.00 N ATOM 284 CZ ARG A 20 -8.197 4.678 -8.950 1.00 0.00 C ATOM 285 NH1 ARG A 20 -8.939 5.215 -7.982 1.00 0.00 N ATOM 286 NH2 ARG A 20 -7.816 5.446 -9.961 1.00 0.00 N ATOM 0 H ARG A 20 -3.681 3.544 -5.093 1.00 0.00 H new ATOM 0 HA ARG A 20 -6.077 3.926 -3.585 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -7.009 1.830 -5.075 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -7.670 3.451 -4.978 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.390 4.107 -6.991 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -5.692 2.502 -7.082 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -7.641 1.540 -7.914 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -8.692 2.691 -7.113 1.00 0.00 H new ATOM 0 HE ARG A 20 -7.519 2.953 -9.760 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -9.216 4.650 -7.179 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -9.230 6.191 -8.044 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -7.222 5.063 -10.696 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -8.117 6.420 -10.004 1.00 0.00 H new ATOM 300 N PHE A 21 -4.951 1.918 -2.479 1.00 0.00 N ATOM 301 CA PHE A 21 -4.433 0.725 -1.854 1.00 0.00 C ATOM 302 C PHE A 21 -5.298 -0.490 -2.151 1.00 0.00 C ATOM 303 O PHE A 21 -4.806 -1.456 -2.718 1.00 0.00 O ATOM 304 CB PHE A 21 -4.346 1.018 -0.356 1.00 0.00 C ATOM 305 CG PHE A 21 -4.086 -0.193 0.493 1.00 0.00 C ATOM 306 CD1 PHE A 21 -3.035 -1.048 0.137 1.00 0.00 C ATOM 307 CD2 PHE A 21 -4.904 -0.488 1.599 1.00 0.00 C ATOM 308 CE1 PHE A 21 -2.765 -2.191 0.891 1.00 0.00 C ATOM 309 CE2 PHE A 21 -4.605 -1.618 2.378 1.00 0.00 C ATOM 310 CZ PHE A 21 -3.530 -2.461 2.039 1.00 0.00 C ATOM 0 H PHE A 21 -5.348 2.596 -1.828 1.00 0.00 H new ATOM 0 HA PHE A 21 -3.449 0.477 -2.251 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -3.552 1.745 -0.185 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -5.278 1.481 -0.033 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -2.429 -0.821 -0.728 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -5.746 0.142 1.844 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -1.974 -2.864 0.594 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -5.206 -1.842 3.246 1.00 0.00 H new ATOM 0 HZ PHE A 21 -3.294 -3.313 2.659 1.00 0.00 H new ATOM 320 N ALA A 22 -6.571 -0.474 -1.740 1.00 0.00 N ATOM 321 CA ALA A 22 -7.364 -1.701 -1.769 1.00 0.00 C ATOM 322 C ALA A 22 -7.614 -2.184 -3.201 1.00 0.00 C ATOM 323 O ALA A 22 -7.831 -3.377 -3.403 1.00 0.00 O ATOM 324 CB ALA A 22 -8.684 -1.527 -1.008 1.00 0.00 C ATOM 0 H ALA A 22 -7.060 0.351 -1.393 1.00 0.00 H new ATOM 0 HA ALA A 22 -6.783 -2.472 -1.263 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -9.252 -2.457 -1.047 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -8.474 -1.274 0.031 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -9.265 -0.727 -1.466 1.00 0.00 H new ATOM 330 N ARG A 23 -7.545 -1.262 -4.167 1.00 0.00 N ATOM 331 CA ARG A 23 -7.464 -1.481 -5.591 1.00 0.00 C ATOM 332 C ARG A 23 -6.027 -1.197 -6.025 1.00 0.00 C ATOM 333 O ARG A 23 -5.738 -0.145 -6.599 1.00 0.00 O ATOM 334 CB ARG A 23 -8.443 -0.552 -6.284 1.00 0.00 C ATOM 335 CG ARG A 23 -9.840 -1.137 -6.408 1.00 0.00 C ATOM 336 CD ARG A 23 -9.965 -2.444 -7.206 1.00 0.00 C ATOM 337 NE ARG A 23 -9.104 -2.511 -8.406 1.00 0.00 N ATOM 338 CZ ARG A 23 -9.431 -2.271 -9.681 1.00 0.00 C ATOM 339 NH1 ARG A 23 -10.573 -1.674 -9.974 1.00 0.00 N ATOM 340 NH2 ARG A 23 -8.632 -2.657 -10.663 1.00 0.00 N ATOM 0 H ARG A 23 -7.545 -0.267 -3.941 1.00 0.00 H new ATOM 0 HA ARG A 23 -7.722 -2.506 -5.856 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -8.497 0.386 -5.731 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -8.066 -0.315 -7.279 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -10.228 -1.311 -5.404 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -10.483 -0.390 -6.873 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -9.720 -3.280 -6.551 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -11.004 -2.571 -7.511 1.00 0.00 H new ATOM 0 HE ARG A 23 -8.133 -2.775 -8.240 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -11.209 -1.394 -9.227 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -10.819 -1.493 -10.947 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -7.760 -3.141 -10.450 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -8.888 -2.470 -11.632 1.00 0.00 H new ATOM 354 N ALA A 24 -5.121 -2.114 -5.734 1.00 0.00 N ATOM 355 CA ALA A 24 -3.871 -2.228 -6.452 1.00 0.00 C ATOM 356 C ALA A 24 -3.722 -3.706 -6.762 1.00 0.00 C ATOM 357 O ALA A 24 -4.385 -4.527 -6.124 1.00 0.00 O ATOM 358 CB ALA A 24 -2.740 -1.681 -5.598 1.00 0.00 C ATOM 0 H ALA A 24 -5.235 -2.802 -4.989 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.848 -1.650 -7.376 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -1.799 -1.768 -6.141 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.931 -0.633 -5.369 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.677 -2.249 -4.670 1.00 0.00 H new ATOM 364 N GLU A 25 -2.892 -4.050 -7.739 1.00 0.00 N ATOM 365 CA GLU A 25 -2.872 -5.411 -8.269 1.00 0.00 C ATOM 366 C GLU A 25 -1.664 -6.208 -7.827 1.00 0.00 C ATOM 367 O GLU A 25 -1.615 -7.425 -8.007 1.00 0.00 O ATOM 368 CB GLU A 25 -2.952 -5.387 -9.792 1.00 0.00 C ATOM 369 CG GLU A 25 -4.407 -5.203 -10.203 1.00 0.00 C ATOM 370 CD GLU A 25 -4.614 -5.394 -11.702 1.00 0.00 C ATOM 371 OE1 GLU A 25 -3.642 -5.483 -12.486 1.00 0.00 O ATOM 372 OE2 GLU A 25 -5.793 -5.399 -12.125 1.00 0.00 O ATOM 0 H GLU A 25 -2.228 -3.412 -8.179 1.00 0.00 H new ATOM 0 HA GLU A 25 -3.747 -5.914 -7.858 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -2.342 -4.576 -10.189 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -2.557 -6.315 -10.206 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -5.029 -5.914 -9.659 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -4.740 -4.205 -9.917 1.00 0.00 H new ATOM 379 N TYR A 26 -0.675 -5.538 -7.259 1.00 0.00 N ATOM 380 CA TYR A 26 0.519 -6.182 -6.796 1.00 0.00 C ATOM 381 C TYR A 26 0.954 -5.408 -5.568 1.00 0.00 C ATOM 382 O TYR A 26 0.762 -4.189 -5.504 1.00 0.00 O ATOM 383 CB TYR A 26 1.584 -6.141 -7.917 1.00 0.00 C ATOM 384 CG TYR A 26 1.217 -6.818 -9.229 1.00 0.00 C ATOM 385 CD1 TYR A 26 0.446 -6.093 -10.151 1.00 0.00 C ATOM 386 CD2 TYR A 26 1.710 -8.090 -9.586 1.00 0.00 C ATOM 387 CE1 TYR A 26 0.147 -6.617 -11.416 1.00 0.00 C ATOM 388 CE2 TYR A 26 1.403 -8.630 -10.856 1.00 0.00 C ATOM 389 CZ TYR A 26 0.603 -7.904 -11.773 1.00 0.00 C ATOM 390 OH TYR A 26 0.287 -8.410 -12.999 1.00 0.00 O ATOM 0 H TYR A 26 -0.688 -4.529 -7.111 1.00 0.00 H new ATOM 0 HA TYR A 26 0.367 -7.231 -6.544 1.00 0.00 H new ATOM 0 HB2 TYR A 26 1.819 -5.097 -8.126 1.00 0.00 H new ATOM 0 HB3 TYR A 26 2.496 -6.603 -7.538 1.00 0.00 H new ATOM 0 HD1 TYR A 26 0.077 -5.115 -9.881 1.00 0.00 H new ATOM 0 HD2 TYR A 26 2.320 -8.649 -8.892 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -0.433 -6.036 -12.118 1.00 0.00 H new ATOM 0 HE2 TYR A 26 1.781 -9.604 -11.130 1.00 0.00 H new ATOM 0 HH TYR A 26 0.675 -9.305 -13.094 1.00 0.00 H new ATOM 400 N PHE A 27 1.530 -6.101 -4.593 1.00 0.00 N ATOM 401 CA PHE A 27 1.844 -5.514 -3.302 1.00 0.00 C ATOM 402 C PHE A 27 3.273 -5.860 -2.955 1.00 0.00 C ATOM 403 O PHE A 27 3.608 -7.018 -2.725 1.00 0.00 O ATOM 404 CB PHE A 27 0.850 -5.961 -2.237 1.00 0.00 C ATOM 405 CG PHE A 27 -0.525 -5.400 -2.480 1.00 0.00 C ATOM 406 CD1 PHE A 27 -0.759 -4.054 -2.190 1.00 0.00 C ATOM 407 CD2 PHE A 27 -1.532 -6.174 -3.070 1.00 0.00 C ATOM 408 CE1 PHE A 27 -1.996 -3.467 -2.486 1.00 0.00 C ATOM 409 CE2 PHE A 27 -2.766 -5.584 -3.395 1.00 0.00 C ATOM 410 CZ PHE A 27 -2.998 -4.233 -3.104 1.00 0.00 C ATOM 0 H PHE A 27 1.791 -7.083 -4.678 1.00 0.00 H new ATOM 0 HA PHE A 27 1.753 -4.429 -3.349 1.00 0.00 H new ATOM 0 HB2 PHE A 27 0.800 -7.050 -2.222 1.00 0.00 H new ATOM 0 HB3 PHE A 27 1.203 -5.644 -1.256 1.00 0.00 H new ATOM 0 HD1 PHE A 27 0.020 -3.461 -1.734 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -1.361 -7.221 -3.275 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -2.178 -2.431 -2.240 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -3.537 -6.173 -3.870 1.00 0.00 H new ATOM 0 HZ PHE A 27 -3.946 -3.781 -3.355 1.00 0.00 H new ATOM 420 N ILE A 28 4.120 -4.849 -3.023 1.00 0.00 N ATOM 421 CA ILE A 28 5.555 -4.970 -2.910 1.00 0.00 C ATOM 422 C ILE A 28 5.810 -4.828 -1.420 1.00 0.00 C ATOM 423 O ILE A 28 5.432 -3.809 -0.851 1.00 0.00 O ATOM 424 CB ILE A 28 6.208 -3.892 -3.800 1.00 0.00 C ATOM 425 CG1 ILE A 28 6.037 -4.198 -5.310 1.00 0.00 C ATOM 426 CG2 ILE A 28 7.711 -3.796 -3.532 1.00 0.00 C ATOM 427 CD1 ILE A 28 4.601 -4.348 -5.806 1.00 0.00 C ATOM 0 H ILE A 28 3.812 -3.887 -3.164 1.00 0.00 H new ATOM 0 HA ILE A 28 5.986 -5.908 -3.259 1.00 0.00 H new ATOM 0 HB ILE A 28 5.705 -2.958 -3.551 1.00 0.00 H new ATOM 0 HG12 ILE A 28 6.515 -3.400 -5.878 1.00 0.00 H new ATOM 0 HG13 ILE A 28 6.576 -5.118 -5.537 1.00 0.00 H new ATOM 0 HG21 ILE A 28 8.146 -3.029 -4.172 1.00 0.00 H new ATOM 0 HG22 ILE A 28 7.878 -3.534 -2.487 1.00 0.00 H new ATOM 0 HG23 ILE A 28 8.181 -4.756 -3.745 1.00 0.00 H new ATOM 0 HD11 ILE A 28 4.606 -4.560 -6.875 1.00 0.00 H new ATOM 0 HD12 ILE A 28 4.117 -5.168 -5.275 1.00 0.00 H new ATOM 0 HD13 ILE A 28 4.054 -3.423 -5.622 1.00 0.00 H new ATOM 439 N ILE A 29 6.355 -5.855 -0.774 1.00 0.00 N ATOM 440 CA ILE A 29 6.574 -5.896 0.668 1.00 0.00 C ATOM 441 C ILE A 29 8.054 -5.695 0.877 1.00 0.00 C ATOM 442 O ILE A 29 8.839 -6.622 0.700 1.00 0.00 O ATOM 443 CB ILE A 29 5.999 -7.183 1.300 1.00 0.00 C ATOM 444 CG1 ILE A 29 4.493 -7.166 0.993 1.00 0.00 C ATOM 445 CG2 ILE A 29 6.345 -7.411 2.790 1.00 0.00 C ATOM 446 CD1 ILE A 29 3.729 -8.311 1.627 1.00 0.00 C ATOM 0 H ILE A 29 6.664 -6.702 -1.251 1.00 0.00 H new ATOM 0 HA ILE A 29 6.033 -5.105 1.187 1.00 0.00 H new ATOM 0 HB ILE A 29 6.479 -8.055 0.856 1.00 0.00 H new ATOM 0 HG12 ILE A 29 4.071 -6.223 1.340 1.00 0.00 H new ATOM 0 HG13 ILE A 29 4.351 -7.200 -0.087 1.00 0.00 H new ATOM 0 HG21 ILE A 29 5.891 -8.342 3.131 1.00 0.00 H new ATOM 0 HG22 ILE A 29 7.427 -7.471 2.907 1.00 0.00 H new ATOM 0 HG23 ILE A 29 5.961 -6.582 3.384 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.674 -8.233 1.366 1.00 0.00 H new ATOM 0 HD12 ILE A 29 4.124 -9.259 1.261 1.00 0.00 H new ATOM 0 HD13 ILE A 29 3.839 -8.266 2.710 1.00 0.00 H new ATOM 458 N TYR A 30 8.425 -4.455 1.165 1.00 0.00 N ATOM 459 CA TYR A 30 9.796 -4.034 1.377 1.00 0.00 C ATOM 460 C TYR A 30 10.091 -4.161 2.867 1.00 0.00 C ATOM 461 O TYR A 30 9.538 -3.412 3.674 1.00 0.00 O ATOM 462 CB TYR A 30 9.901 -2.578 0.903 1.00 0.00 C ATOM 463 CG TYR A 30 11.304 -2.008 0.925 1.00 0.00 C ATOM 464 CD1 TYR A 30 12.208 -2.277 -0.124 1.00 0.00 C ATOM 465 CD2 TYR A 30 11.730 -1.261 2.036 1.00 0.00 C ATOM 466 CE1 TYR A 30 13.545 -1.833 -0.045 1.00 0.00 C ATOM 467 CE2 TYR A 30 13.046 -0.780 2.099 1.00 0.00 C ATOM 468 CZ TYR A 30 13.961 -1.061 1.062 1.00 0.00 C ATOM 469 OH TYR A 30 15.237 -0.606 1.168 1.00 0.00 O ATOM 0 H TYR A 30 7.755 -3.692 1.260 1.00 0.00 H new ATOM 0 HA TYR A 30 10.516 -4.640 0.827 1.00 0.00 H new ATOM 0 HB2 TYR A 30 9.512 -2.511 -0.113 1.00 0.00 H new ATOM 0 HB3 TYR A 30 9.261 -1.958 1.531 1.00 0.00 H new ATOM 0 HD1 TYR A 30 11.875 -2.826 -0.992 1.00 0.00 H new ATOM 0 HD2 TYR A 30 11.043 -1.057 2.843 1.00 0.00 H new ATOM 0 HE1 TYR A 30 14.247 -2.082 -0.827 1.00 0.00 H new ATOM 0 HE2 TYR A 30 13.361 -0.190 2.947 1.00 0.00 H new ATOM 0 HH TYR A 30 15.333 -0.093 1.997 1.00 0.00 H new ATOM 479 N ASP A 31 10.916 -5.137 3.229 1.00 0.00 N ATOM 480 CA ASP A 31 11.403 -5.373 4.579 1.00 0.00 C ATOM 481 C ASP A 31 12.544 -4.408 4.869 1.00 0.00 C ATOM 482 O ASP A 31 13.637 -4.549 4.313 1.00 0.00 O ATOM 483 CB ASP A 31 11.978 -6.795 4.686 1.00 0.00 C ATOM 484 CG ASP A 31 10.952 -7.813 5.147 1.00 0.00 C ATOM 485 OD1 ASP A 31 9.967 -8.071 4.429 1.00 0.00 O ATOM 486 OD2 ASP A 31 11.145 -8.390 6.235 1.00 0.00 O ATOM 0 H ASP A 31 11.278 -5.814 2.558 1.00 0.00 H new ATOM 0 HA ASP A 31 10.578 -5.238 5.278 1.00 0.00 H new ATOM 0 HB2 ASP A 31 12.371 -7.097 3.715 1.00 0.00 H new ATOM 0 HB3 ASP A 31 12.817 -6.791 5.382 1.00 0.00 H new ATOM 491 N THR A 32 12.331 -3.433 5.749 1.00 0.00 N ATOM 492 CA THR A 32 13.389 -2.539 6.211 1.00 0.00 C ATOM 493 C THR A 32 14.260 -3.252 7.262 1.00 0.00 C ATOM 494 O THR A 32 14.342 -2.791 8.396 1.00 0.00 O ATOM 495 CB THR A 32 12.748 -1.267 6.786 1.00 0.00 C ATOM 496 OG1 THR A 32 11.874 -1.680 7.809 1.00 0.00 O ATOM 497 CG2 THR A 32 11.953 -0.444 5.777 1.00 0.00 C ATOM 0 H THR A 32 11.419 -3.240 6.162 1.00 0.00 H new ATOM 0 HA THR A 32 14.036 -2.261 5.379 1.00 0.00 H new ATOM 0 HB THR A 32 13.555 -0.619 7.130 1.00 0.00 H new ATOM 0 HG1 THR A 32 12.384 -2.134 8.512 1.00 0.00 H new ATOM 0 HG21 THR A 32 11.537 0.434 6.271 1.00 0.00 H new ATOM 0 HG22 THR A 32 12.610 -0.128 4.967 1.00 0.00 H new ATOM 0 HG23 THR A 32 11.143 -1.050 5.371 1.00 0.00 H new ATOM 505 N GLU A 33 14.818 -4.413 6.952 1.00 0.00 N ATOM 506 CA GLU A 33 15.808 -5.101 7.764 1.00 0.00 C ATOM 507 C GLU A 33 16.938 -5.592 6.938 1.00 0.00 C ATOM 508 O GLU A 33 18.078 -5.479 7.391 1.00 0.00 O ATOM 509 CB GLU A 33 15.189 -6.285 8.511 1.00 0.00 C ATOM 510 CG GLU A 33 14.586 -5.882 9.858 1.00 0.00 C ATOM 511 CD GLU A 33 15.634 -5.777 10.979 1.00 0.00 C ATOM 512 OE1 GLU A 33 16.735 -5.207 10.795 1.00 0.00 O ATOM 513 OE2 GLU A 33 15.387 -6.279 12.100 1.00 0.00 O ATOM 0 H GLU A 33 14.585 -4.919 6.098 1.00 0.00 H new ATOM 0 HA GLU A 33 16.181 -4.375 8.486 1.00 0.00 H new ATOM 0 HB2 GLU A 33 14.414 -6.736 7.891 1.00 0.00 H new ATOM 0 HB3 GLU A 33 15.952 -7.047 8.672 1.00 0.00 H new ATOM 0 HG2 GLU A 33 14.080 -4.923 9.751 1.00 0.00 H new ATOM 0 HG3 GLU A 33 13.829 -6.612 10.144 1.00 0.00 H new ATOM 520 N SER A 34 16.651 -6.105 5.748 1.00 0.00 N ATOM 521 CA SER A 34 17.734 -6.466 4.884 1.00 0.00 C ATOM 522 C SER A 34 17.396 -6.196 3.411 1.00 0.00 C ATOM 523 O SER A 34 17.851 -6.934 2.534 1.00 0.00 O ATOM 524 CB SER A 34 18.011 -7.959 5.156 1.00 0.00 C ATOM 525 OG SER A 34 18.501 -8.227 6.464 1.00 0.00 O ATOM 0 H SER A 34 15.713 -6.270 5.382 1.00 0.00 H new ATOM 0 HA SER A 34 18.621 -5.865 5.084 1.00 0.00 H new ATOM 0 HB2 SER A 34 17.091 -8.523 5.001 1.00 0.00 H new ATOM 0 HB3 SER A 34 18.735 -8.323 4.426 1.00 0.00 H new ATOM 0 HG SER A 34 18.652 -9.190 6.566 1.00 0.00 H new ATOM 531 N GLY A 35 16.678 -5.099 3.132 1.00 0.00 N ATOM 532 CA GLY A 35 16.317 -4.634 1.790 1.00 0.00 C ATOM 533 C GLY A 35 15.662 -5.686 0.886 1.00 0.00 C ATOM 534 O GLY A 35 15.634 -5.485 -0.329 1.00 0.00 O ATOM 0 H GLY A 35 16.320 -4.488 3.866 1.00 0.00 H new ATOM 0 HA2 GLY A 35 15.637 -3.788 1.887 1.00 0.00 H new ATOM 0 HA3 GLY A 35 17.216 -4.265 1.297 1.00 0.00 H new ATOM 538 N ASN A 36 15.172 -6.797 1.455 1.00 0.00 N ATOM 539 CA ASN A 36 14.529 -7.864 0.706 1.00 0.00 C ATOM 540 C ASN A 36 13.082 -7.484 0.456 1.00 0.00 C ATOM 541 O ASN A 36 12.336 -7.137 1.371 1.00 0.00 O ATOM 542 CB ASN A 36 14.526 -9.181 1.478 1.00 0.00 C ATOM 543 CG ASN A 36 13.806 -10.275 0.696 1.00 0.00 C ATOM 544 OD1 ASN A 36 14.293 -10.701 -0.344 1.00 0.00 O ATOM 545 ND2 ASN A 36 12.636 -10.727 1.121 1.00 0.00 N ATOM 0 H ASN A 36 15.216 -6.973 2.459 1.00 0.00 H new ATOM 0 HA ASN A 36 15.086 -7.996 -0.222 1.00 0.00 H new ATOM 0 HB2 ASN A 36 15.552 -9.490 1.681 1.00 0.00 H new ATOM 0 HB3 ASN A 36 14.039 -9.039 2.443 1.00 0.00 H new ATOM 0 HD21 ASN A 36 12.136 -11.433 0.582 1.00 0.00 H new ATOM 0 HD22 ASN A 36 12.235 -10.369 1.988 1.00 0.00 H new ATOM 552 N VAL A 37 12.655 -7.676 -0.770 1.00 0.00 N ATOM 553 CA VAL A 37 11.349 -7.309 -1.265 1.00 0.00 C ATOM 554 C VAL A 37 10.601 -8.583 -1.680 1.00 0.00 C ATOM 555 O VAL A 37 11.208 -9.628 -1.937 1.00 0.00 O ATOM 556 CB VAL A 37 11.476 -6.255 -2.383 1.00 0.00 C ATOM 557 CG1 VAL A 37 10.241 -5.354 -2.344 1.00 0.00 C ATOM 558 CG2 VAL A 37 12.703 -5.332 -2.257 1.00 0.00 C ATOM 0 H VAL A 37 13.237 -8.114 -1.484 1.00 0.00 H new ATOM 0 HA VAL A 37 10.754 -6.831 -0.487 1.00 0.00 H new ATOM 0 HB VAL A 37 11.580 -6.817 -3.311 1.00 0.00 H new ATOM 0 HG11 VAL A 37 10.315 -4.602 -3.129 1.00 0.00 H new ATOM 0 HG12 VAL A 37 9.346 -5.956 -2.501 1.00 0.00 H new ATOM 0 HG13 VAL A 37 10.181 -4.861 -1.374 1.00 0.00 H new ATOM 0 HG21 VAL A 37 12.712 -4.623 -3.085 1.00 0.00 H new ATOM 0 HG22 VAL A 37 12.654 -4.788 -1.314 1.00 0.00 H new ATOM 0 HG23 VAL A 37 13.613 -5.931 -2.283 1.00 0.00 H new ATOM 568 N GLU A 38 9.280 -8.518 -1.784 1.00 0.00 N ATOM 569 CA GLU A 38 8.440 -9.579 -2.315 1.00 0.00 C ATOM 570 C GLU A 38 7.348 -8.909 -3.136 1.00 0.00 C ATOM 571 O GLU A 38 6.738 -7.968 -2.635 1.00 0.00 O ATOM 572 CB GLU A 38 7.840 -10.390 -1.152 1.00 0.00 C ATOM 573 CG GLU A 38 6.784 -11.411 -1.601 1.00 0.00 C ATOM 574 CD GLU A 38 7.380 -12.520 -2.471 1.00 0.00 C ATOM 575 OE1 GLU A 38 7.750 -12.268 -3.639 1.00 0.00 O ATOM 576 OE2 GLU A 38 7.541 -13.659 -1.976 1.00 0.00 O ATOM 0 H GLU A 38 8.748 -7.698 -1.491 1.00 0.00 H new ATOM 0 HA GLU A 38 9.008 -10.269 -2.939 1.00 0.00 H new ATOM 0 HB2 GLU A 38 8.642 -10.913 -0.632 1.00 0.00 H new ATOM 0 HB3 GLU A 38 7.389 -9.704 -0.435 1.00 0.00 H new ATOM 0 HG2 GLU A 38 6.314 -11.854 -0.723 1.00 0.00 H new ATOM 0 HG3 GLU A 38 6.000 -10.898 -2.157 1.00 0.00 H new ATOM 583 N VAL A 39 7.081 -9.387 -4.351 1.00 0.00 N ATOM 584 CA VAL A 39 5.912 -9.015 -5.133 1.00 0.00 C ATOM 585 C VAL A 39 4.794 -10.011 -4.801 1.00 0.00 C ATOM 586 O VAL A 39 4.862 -11.175 -5.196 1.00 0.00 O ATOM 587 CB VAL A 39 6.233 -9.012 -6.648 1.00 0.00 C ATOM 588 CG1 VAL A 39 5.023 -8.517 -7.457 1.00 0.00 C ATOM 589 CG2 VAL A 39 7.434 -8.127 -7.020 1.00 0.00 C ATOM 0 H VAL A 39 7.686 -10.057 -4.825 1.00 0.00 H new ATOM 0 HA VAL A 39 5.596 -8.003 -4.882 1.00 0.00 H new ATOM 0 HB VAL A 39 6.479 -10.046 -6.891 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.269 -8.522 -8.519 1.00 0.00 H new ATOM 0 HG12 VAL A 39 4.172 -9.174 -7.278 1.00 0.00 H new ATOM 0 HG13 VAL A 39 4.769 -7.503 -7.148 1.00 0.00 H new ATOM 0 HG21 VAL A 39 7.601 -8.173 -8.096 1.00 0.00 H new ATOM 0 HG22 VAL A 39 7.231 -7.097 -6.728 1.00 0.00 H new ATOM 0 HG23 VAL A 39 8.323 -8.483 -6.500 1.00 0.00 H new ATOM 599 N VAL A 40 3.749 -9.564 -4.109 1.00 0.00 N ATOM 600 CA VAL A 40 2.465 -10.259 -4.095 1.00 0.00 C ATOM 601 C VAL A 40 1.740 -9.902 -5.401 1.00 0.00 C ATOM 602 O VAL A 40 1.923 -8.810 -5.939 1.00 0.00 O ATOM 603 CB VAL A 40 1.682 -9.812 -2.841 1.00 0.00 C ATOM 604 CG1 VAL A 40 0.169 -10.070 -2.891 1.00 0.00 C ATOM 605 CG2 VAL A 40 2.275 -10.452 -1.579 1.00 0.00 C ATOM 0 H VAL A 40 3.768 -8.714 -3.545 1.00 0.00 H new ATOM 0 HA VAL A 40 2.573 -11.342 -4.043 1.00 0.00 H new ATOM 0 HB VAL A 40 1.796 -8.728 -2.814 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.290 -9.722 -1.966 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.264 -9.533 -3.735 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.014 -11.138 -3.007 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.710 -10.125 -0.706 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.220 -11.537 -1.661 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.316 -10.148 -1.472 1.00 0.00 H new ATOM 615 N GLU A 41 0.879 -10.806 -5.868 1.00 0.00 N ATOM 616 CA GLU A 41 0.101 -10.751 -7.100 1.00 0.00 C ATOM 617 C GLU A 41 -1.360 -10.923 -6.682 1.00 0.00 C ATOM 618 O GLU A 41 -1.811 -12.042 -6.409 1.00 0.00 O ATOM 619 CB GLU A 41 0.583 -11.891 -8.008 1.00 0.00 C ATOM 620 CG GLU A 41 -0.036 -11.904 -9.403 1.00 0.00 C ATOM 621 CD GLU A 41 0.451 -13.144 -10.145 1.00 0.00 C ATOM 622 OE1 GLU A 41 -0.130 -14.230 -9.917 1.00 0.00 O ATOM 623 OE2 GLU A 41 1.490 -13.069 -10.847 1.00 0.00 O ATOM 0 H GLU A 41 0.695 -11.665 -5.350 1.00 0.00 H new ATOM 0 HA GLU A 41 0.214 -9.817 -7.651 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.666 -11.824 -8.107 1.00 0.00 H new ATOM 0 HB3 GLU A 41 0.366 -12.841 -7.521 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.124 -11.909 -9.333 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.244 -11.003 -9.949 1.00 0.00 H new ATOM 630 N ASN A 42 -2.071 -9.813 -6.520 1.00 0.00 N ATOM 631 CA ASN A 42 -3.408 -9.733 -5.954 1.00 0.00 C ATOM 632 C ASN A 42 -4.318 -9.269 -7.076 1.00 0.00 C ATOM 633 O ASN A 42 -4.266 -8.111 -7.467 1.00 0.00 O ATOM 634 CB ASN A 42 -3.424 -8.740 -4.774 1.00 0.00 C ATOM 635 CG ASN A 42 -3.657 -9.388 -3.404 1.00 0.00 C ATOM 636 OD1 ASN A 42 -2.998 -9.045 -2.431 1.00 0.00 O ATOM 637 ND2 ASN A 42 -4.590 -10.316 -3.254 1.00 0.00 N ATOM 0 H ASN A 42 -1.710 -8.899 -6.795 1.00 0.00 H new ATOM 0 HA ASN A 42 -3.741 -10.695 -5.563 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -2.475 -8.205 -4.752 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -4.204 -7.999 -4.949 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -4.751 -10.734 -2.338 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -5.148 -10.613 -4.055 1.00 0.00 H new ATOM 644 N THR A 43 -5.145 -10.143 -7.626 1.00 0.00 N ATOM 645 CA THR A 43 -5.841 -9.849 -8.869 1.00 0.00 C ATOM 646 C THR A 43 -7.130 -9.045 -8.594 1.00 0.00 C ATOM 647 O THR A 43 -8.238 -9.553 -8.801 1.00 0.00 O ATOM 648 CB THR A 43 -6.027 -11.184 -9.612 1.00 0.00 C ATOM 649 OG1 THR A 43 -6.765 -12.078 -8.800 1.00 0.00 O ATOM 650 CG2 THR A 43 -4.685 -11.872 -9.942 1.00 0.00 C ATOM 0 H THR A 43 -5.351 -11.061 -7.232 1.00 0.00 H new ATOM 0 HA THR A 43 -5.270 -9.193 -9.526 1.00 0.00 H new ATOM 0 HB THR A 43 -6.545 -10.952 -10.543 1.00 0.00 H new ATOM 0 HG1 THR A 43 -7.586 -11.640 -8.494 1.00 0.00 H new ATOM 0 HG21 THR A 43 -4.875 -12.809 -10.466 1.00 0.00 H new ATOM 0 HG22 THR A 43 -4.087 -11.217 -10.576 1.00 0.00 H new ATOM 0 HG23 THR A 43 -4.144 -12.076 -9.018 1.00 0.00 H new ATOM 658 N ILE A 44 -7.015 -7.833 -8.028 1.00 0.00 N ATOM 659 CA ILE A 44 -8.148 -7.111 -7.476 1.00 0.00 C ATOM 660 C ILE A 44 -8.887 -6.389 -8.611 1.00 0.00 C ATOM 661 O ILE A 44 -8.311 -6.101 -9.661 1.00 0.00 O ATOM 662 CB ILE A 44 -7.682 -6.170 -6.333 1.00 0.00 C ATOM 663 CG1 ILE A 44 -6.514 -6.690 -5.470 1.00 0.00 C ATOM 664 CG2 ILE A 44 -8.807 -5.945 -5.323 1.00 0.00 C ATOM 665 CD1 ILE A 44 -6.751 -8.071 -4.844 1.00 0.00 C ATOM 0 H ILE A 44 -6.129 -7.335 -7.945 1.00 0.00 H new ATOM 0 HA ILE A 44 -8.860 -7.800 -7.021 1.00 0.00 H new ATOM 0 HB ILE A 44 -7.369 -5.278 -6.875 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -5.615 -6.733 -6.085 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -6.320 -5.972 -4.673 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -8.458 -5.283 -4.531 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -9.661 -5.491 -5.825 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -9.105 -6.901 -4.892 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -5.880 -8.358 -4.255 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -7.629 -8.032 -4.199 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -6.913 -8.805 -5.633 1.00 0.00 H new ATOM 677 N ALA A 45 -10.169 -6.100 -8.389 1.00 0.00 N ATOM 678 CA ALA A 45 -11.096 -5.498 -9.346 1.00 0.00 C ATOM 679 C ALA A 45 -12.222 -4.771 -8.601 1.00 0.00 C ATOM 680 O ALA A 45 -12.280 -4.804 -7.373 1.00 0.00 O ATOM 681 CB ALA A 45 -11.681 -6.585 -10.247 1.00 0.00 C ATOM 0 H ALA A 45 -10.612 -6.290 -7.490 1.00 0.00 H new ATOM 0 HA ALA A 45 -10.558 -4.775 -9.959 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -12.372 -6.134 -10.960 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -10.875 -7.082 -10.787 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -12.214 -7.315 -9.638 1.00 0.00 H new ATOM 687 N ASP A 46 -13.140 -4.141 -9.339 1.00 0.00 N ATOM 688 CA ASP A 46 -13.992 -3.015 -8.926 1.00 0.00 C ATOM 689 C ASP A 46 -15.207 -3.410 -8.067 1.00 0.00 C ATOM 690 O ASP A 46 -16.282 -2.819 -8.204 1.00 0.00 O ATOM 691 CB ASP A 46 -14.477 -2.274 -10.190 1.00 0.00 C ATOM 692 CG ASP A 46 -13.359 -1.542 -10.902 1.00 0.00 C ATOM 693 OD1 ASP A 46 -12.671 -2.161 -11.733 1.00 0.00 O ATOM 694 OD2 ASP A 46 -13.103 -0.367 -10.542 1.00 0.00 O ATOM 0 H ASP A 46 -13.322 -4.419 -10.303 1.00 0.00 H new ATOM 0 HA ASP A 46 -13.376 -2.379 -8.290 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -14.931 -2.990 -10.875 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -15.254 -1.561 -9.913 1.00 0.00 H new ATOM 699 N ALA A 47 -15.063 -4.344 -7.129 1.00 0.00 N ATOM 700 CA ALA A 47 -16.116 -4.751 -6.200 1.00 0.00 C ATOM 701 C ALA A 47 -15.605 -4.687 -4.764 1.00 0.00 C ATOM 702 O ALA A 47 -14.453 -4.319 -4.527 1.00 0.00 O ATOM 703 CB ALA A 47 -16.591 -6.158 -6.566 1.00 0.00 C ATOM 0 H ALA A 47 -14.189 -4.852 -6.990 1.00 0.00 H new ATOM 0 HA ALA A 47 -16.963 -4.069 -6.276 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -17.377 -6.468 -5.877 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -16.981 -6.157 -7.584 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -15.754 -6.853 -6.499 1.00 0.00 H new ATOM 709 N HIS A 48 -16.469 -5.049 -3.817 1.00 0.00 N ATOM 710 CA HIS A 48 -16.121 -5.432 -2.457 1.00 0.00 C ATOM 711 C HIS A 48 -17.166 -6.428 -1.935 1.00 0.00 C ATOM 712 O HIS A 48 -18.023 -6.891 -2.703 1.00 0.00 O ATOM 713 CB HIS A 48 -15.932 -4.198 -1.557 1.00 0.00 C ATOM 714 CG HIS A 48 -17.157 -3.372 -1.248 1.00 0.00 C ATOM 715 ND1 HIS A 48 -18.293 -3.242 -2.012 1.00 0.00 N ATOM 716 CD2 HIS A 48 -17.314 -2.565 -0.154 1.00 0.00 C ATOM 717 CE1 HIS A 48 -19.119 -2.388 -1.390 1.00 0.00 C ATOM 718 NE2 HIS A 48 -18.553 -1.930 -0.261 1.00 0.00 N ATOM 0 H HIS A 48 -17.474 -5.084 -3.988 1.00 0.00 H new ATOM 0 HA HIS A 48 -15.155 -5.936 -2.445 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -15.503 -4.532 -0.612 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -15.196 -3.547 -2.028 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -16.604 -2.441 0.651 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -20.100 -2.108 -1.746 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -18.950 -1.252 0.390 1.00 0.00 H new ATOM 726 N GLY A 49 -17.061 -6.815 -0.663 1.00 0.00 N ATOM 727 CA GLY A 49 -17.885 -7.854 -0.059 1.00 0.00 C ATOM 728 C GLY A 49 -17.216 -8.423 1.188 1.00 0.00 C ATOM 729 O GLY A 49 -16.952 -9.628 1.259 1.00 0.00 O ATOM 0 H GLY A 49 -16.388 -6.406 -0.015 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -18.861 -7.444 0.202 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -18.057 -8.653 -0.781 1.00 0.00 H new ATOM 733 N THR A 50 -16.901 -7.539 2.140 1.00 0.00 N ATOM 734 CA THR A 50 -16.401 -7.834 3.485 1.00 0.00 C ATOM 735 C THR A 50 -15.207 -8.797 3.556 1.00 0.00 C ATOM 736 O THR A 50 -14.996 -9.477 4.563 1.00 0.00 O ATOM 737 CB THR A 50 -17.570 -8.180 4.425 1.00 0.00 C ATOM 738 OG1 THR A 50 -18.409 -9.204 3.929 1.00 0.00 O ATOM 739 CG2 THR A 50 -18.447 -6.952 4.633 1.00 0.00 C ATOM 0 H THR A 50 -16.995 -6.536 1.981 1.00 0.00 H new ATOM 0 HA THR A 50 -15.945 -6.915 3.854 1.00 0.00 H new ATOM 0 HB THR A 50 -17.110 -8.524 5.351 1.00 0.00 H new ATOM 0 HG1 THR A 50 -19.129 -9.377 4.571 1.00 0.00 H new ATOM 0 HG21 THR A 50 -19.273 -7.203 5.299 1.00 0.00 H new ATOM 0 HG22 THR A 50 -17.854 -6.152 5.076 1.00 0.00 H new ATOM 0 HG23 THR A 50 -18.843 -6.621 3.673 1.00 0.00 H new ATOM 747 N GLY A 51 -14.369 -8.810 2.523 1.00 0.00 N ATOM 748 CA GLY A 51 -13.024 -9.345 2.593 1.00 0.00 C ATOM 749 C GLY A 51 -12.086 -8.215 2.189 1.00 0.00 C ATOM 750 O GLY A 51 -12.323 -7.623 1.135 1.00 0.00 O ATOM 0 H GLY A 51 -14.614 -8.443 1.604 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -12.798 -9.695 3.600 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -12.911 -10.200 1.926 1.00 0.00 H new ATOM 754 N PRO A 52 -11.034 -7.882 2.951 1.00 0.00 N ATOM 755 CA PRO A 52 -9.987 -6.997 2.457 1.00 0.00 C ATOM 756 C PRO A 52 -9.207 -7.621 1.305 1.00 0.00 C ATOM 757 O PRO A 52 -8.723 -6.885 0.443 1.00 0.00 O ATOM 758 CB PRO A 52 -9.075 -6.759 3.651 1.00 0.00 C ATOM 759 CG PRO A 52 -9.305 -7.947 4.575 1.00 0.00 C ATOM 760 CD PRO A 52 -10.760 -8.318 4.314 1.00 0.00 C ATOM 0 HA PRO A 52 -10.409 -6.073 2.061 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -8.031 -6.697 3.343 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -9.317 -5.820 4.150 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -8.632 -8.773 4.344 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -9.138 -7.683 5.619 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -10.917 -9.391 4.422 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -11.424 -7.826 5.025 1.00 0.00 H new ATOM 768 N LYS A 53 -9.079 -8.951 1.279 1.00 0.00 N ATOM 769 CA LYS A 53 -8.163 -9.740 0.461 1.00 0.00 C ATOM 770 C LYS A 53 -6.717 -9.310 0.695 1.00 0.00 C ATOM 771 O LYS A 53 -6.008 -9.949 1.465 1.00 0.00 O ATOM 772 CB LYS A 53 -8.583 -9.760 -1.021 1.00 0.00 C ATOM 773 CG LYS A 53 -10.056 -10.166 -1.249 1.00 0.00 C ATOM 774 CD LYS A 53 -11.001 -9.003 -1.585 1.00 0.00 C ATOM 775 CE LYS A 53 -10.604 -8.312 -2.890 1.00 0.00 C ATOM 776 NZ LYS A 53 -11.762 -7.848 -3.689 1.00 0.00 N ATOM 0 H LYS A 53 -9.657 -9.545 1.874 1.00 0.00 H new ATOM 0 HA LYS A 53 -8.223 -10.780 0.780 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -8.419 -8.771 -1.448 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -7.938 -10.452 -1.562 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -10.096 -10.894 -2.059 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -10.423 -10.666 -0.353 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -12.022 -9.375 -1.666 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -10.990 -8.278 -0.771 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -9.966 -7.459 -2.660 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -10.011 -9.001 -3.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -11.422 -7.390 -4.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -12.361 -8.661 -3.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -12.317 -7.167 -3.133 1.00 0.00 H new ATOM 790 N VAL A 54 -6.318 -8.187 0.106 1.00 0.00 N ATOM 791 CA VAL A 54 -5.008 -7.572 0.225 1.00 0.00 C ATOM 792 C VAL A 54 -4.631 -7.467 1.701 1.00 0.00 C ATOM 793 O VAL A 54 -3.648 -8.061 2.118 1.00 0.00 O ATOM 794 CB VAL A 54 -4.963 -6.240 -0.568 1.00 0.00 C ATOM 795 CG1 VAL A 54 -6.268 -5.435 -0.648 1.00 0.00 C ATOM 796 CG2 VAL A 54 -3.852 -5.308 -0.098 1.00 0.00 C ATOM 0 H VAL A 54 -6.940 -7.654 -0.502 1.00 0.00 H new ATOM 0 HA VAL A 54 -4.238 -8.192 -0.234 1.00 0.00 H new ATOM 0 HB VAL A 54 -4.766 -6.604 -1.576 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -6.101 -4.528 -1.229 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -7.038 -6.038 -1.129 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -6.593 -5.167 0.358 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -3.870 -4.393 -0.690 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -4.003 -5.063 0.953 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -2.887 -5.800 -0.221 1.00 0.00 H new ATOM 806 N VAL A 55 -5.415 -6.747 2.500 1.00 0.00 N ATOM 807 CA VAL A 55 -5.102 -6.451 3.897 1.00 0.00 C ATOM 808 C VAL A 55 -4.973 -7.749 4.680 1.00 0.00 C ATOM 809 O VAL A 55 -3.895 -7.939 5.216 1.00 0.00 O ATOM 810 CB VAL A 55 -6.074 -5.388 4.464 1.00 0.00 C ATOM 811 CG1 VAL A 55 -5.435 -4.546 5.560 1.00 0.00 C ATOM 812 CG2 VAL A 55 -6.557 -4.410 3.364 1.00 0.00 C ATOM 0 H VAL A 55 -6.300 -6.346 2.190 1.00 0.00 H new ATOM 0 HA VAL A 55 -4.126 -5.975 3.993 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.912 -5.955 4.870 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.157 -3.815 5.925 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.126 -5.192 6.382 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -4.564 -4.027 5.159 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -7.237 -3.679 3.800 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -5.699 -3.895 2.933 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -7.075 -4.967 2.584 1.00 0.00 H new ATOM 822 N GLN A 56 -5.933 -8.685 4.626 1.00 0.00 N ATOM 823 CA GLN A 56 -5.815 -10.005 5.262 1.00 0.00 C ATOM 824 C GLN A 56 -4.434 -10.623 4.993 1.00 0.00 C ATOM 825 O GLN A 56 -3.734 -11.053 5.916 1.00 0.00 O ATOM 826 CB GLN A 56 -6.906 -10.972 4.752 1.00 0.00 C ATOM 827 CG GLN A 56 -8.181 -11.015 5.609 1.00 0.00 C ATOM 828 CD GLN A 56 -8.401 -12.379 6.258 1.00 0.00 C ATOM 829 OE1 GLN A 56 -9.016 -13.273 5.675 1.00 0.00 O ATOM 830 NE2 GLN A 56 -7.867 -12.595 7.446 1.00 0.00 N ATOM 0 H GLN A 56 -6.817 -8.546 4.137 1.00 0.00 H new ATOM 0 HA GLN A 56 -5.943 -9.856 6.334 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -7.178 -10.687 3.736 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -6.486 -11.976 4.700 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -8.120 -10.252 6.385 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -9.042 -10.769 4.987 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -7.360 -11.848 7.921 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -7.962 -13.509 7.889 1.00 0.00 H new ATOM 839 N SER A 57 -4.040 -10.660 3.718 1.00 0.00 N ATOM 840 CA SER A 57 -2.759 -11.182 3.292 1.00 0.00 C ATOM 841 C SER A 57 -1.576 -10.405 3.852 1.00 0.00 C ATOM 842 O SER A 57 -0.679 -11.001 4.441 1.00 0.00 O ATOM 843 CB SER A 57 -2.691 -11.153 1.763 1.00 0.00 C ATOM 844 OG SER A 57 -3.148 -12.373 1.215 1.00 0.00 O ATOM 0 H SER A 57 -4.617 -10.321 2.949 1.00 0.00 H new ATOM 0 HA SER A 57 -2.687 -12.199 3.677 1.00 0.00 H new ATOM 0 HB2 SER A 57 -3.296 -10.330 1.384 1.00 0.00 H new ATOM 0 HB3 SER A 57 -1.665 -10.968 1.444 1.00 0.00 H new ATOM 0 HG SER A 57 -3.097 -12.332 0.237 1.00 0.00 H new ATOM 850 N LEU A 58 -1.520 -9.099 3.621 1.00 0.00 N ATOM 851 CA LEU A 58 -0.372 -8.277 3.963 1.00 0.00 C ATOM 852 C LEU A 58 -0.149 -8.283 5.470 1.00 0.00 C ATOM 853 O LEU A 58 0.974 -8.427 5.938 1.00 0.00 O ATOM 854 CB LEU A 58 -0.610 -6.851 3.466 1.00 0.00 C ATOM 855 CG LEU A 58 -0.674 -6.662 1.944 1.00 0.00 C ATOM 856 CD1 LEU A 58 -0.980 -5.193 1.651 1.00 0.00 C ATOM 857 CD2 LEU A 58 0.616 -7.090 1.265 1.00 0.00 C ATOM 0 H LEU A 58 -2.281 -8.577 3.186 1.00 0.00 H new ATOM 0 HA LEU A 58 0.520 -8.682 3.485 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.545 -6.491 3.895 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.185 -6.216 3.856 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.463 -7.297 1.541 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.029 -5.040 0.573 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.936 -4.924 2.100 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.193 -4.567 2.071 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.528 -6.940 0.189 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.444 -6.494 1.648 1.00 0.00 H new ATOM 0 HD23 LEU A 58 0.803 -8.144 1.470 1.00 0.00 H new ATOM 869 N VAL A 59 -1.234 -8.188 6.224 1.00 0.00 N ATOM 870 CA VAL A 59 -1.277 -8.328 7.666 1.00 0.00 C ATOM 871 C VAL A 59 -0.714 -9.697 8.067 1.00 0.00 C ATOM 872 O VAL A 59 0.172 -9.753 8.918 1.00 0.00 O ATOM 873 CB VAL A 59 -2.738 -8.063 8.071 1.00 0.00 C ATOM 874 CG1 VAL A 59 -3.108 -8.510 9.486 1.00 0.00 C ATOM 875 CG2 VAL A 59 -3.001 -6.550 7.981 1.00 0.00 C ATOM 0 H VAL A 59 -2.153 -8.002 5.823 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.648 -7.617 8.202 1.00 0.00 H new ATOM 0 HB VAL A 59 -3.347 -8.652 7.386 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -4.156 -8.281 9.677 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.948 -9.584 9.582 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -2.484 -7.984 10.209 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -4.033 -6.343 8.265 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -2.326 -6.023 8.655 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -2.831 -6.211 6.959 1.00 0.00 H new ATOM 885 N SER A 60 -1.123 -10.789 7.408 1.00 0.00 N ATOM 886 CA SER A 60 -0.510 -12.100 7.637 1.00 0.00 C ATOM 887 C SER A 60 1.002 -12.097 7.358 1.00 0.00 C ATOM 888 O SER A 60 1.737 -12.873 7.965 1.00 0.00 O ATOM 889 CB SER A 60 -1.188 -13.185 6.792 1.00 0.00 C ATOM 890 OG SER A 60 -2.591 -13.230 7.005 1.00 0.00 O ATOM 0 H SER A 60 -1.872 -10.789 6.716 1.00 0.00 H new ATOM 0 HA SER A 60 -0.656 -12.325 8.694 1.00 0.00 H new ATOM 0 HB2 SER A 60 -0.988 -13.000 5.737 1.00 0.00 H new ATOM 0 HB3 SER A 60 -0.754 -14.155 7.033 1.00 0.00 H new ATOM 0 HG SER A 60 -2.992 -12.381 6.725 1.00 0.00 H new ATOM 896 N LYS A 61 1.481 -11.221 6.468 1.00 0.00 N ATOM 897 CA LYS A 61 2.888 -11.088 6.110 1.00 0.00 C ATOM 898 C LYS A 61 3.500 -9.898 6.869 1.00 0.00 C ATOM 899 O LYS A 61 4.411 -9.252 6.347 1.00 0.00 O ATOM 900 CB LYS A 61 2.981 -10.914 4.580 1.00 0.00 C ATOM 901 CG LYS A 61 2.418 -12.121 3.798 1.00 0.00 C ATOM 902 CD LYS A 61 2.174 -11.794 2.324 1.00 0.00 C ATOM 903 CE LYS A 61 3.431 -11.867 1.442 1.00 0.00 C ATOM 904 NZ LYS A 61 3.854 -13.256 1.163 1.00 0.00 N ATOM 0 H LYS A 61 0.879 -10.569 5.965 1.00 0.00 H new ATOM 0 HA LYS A 61 3.454 -11.976 6.392 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.438 -10.015 4.289 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.023 -10.762 4.300 1.00 0.00 H new ATOM 0 HG2 LYS A 61 3.114 -12.956 3.872 1.00 0.00 H new ATOM 0 HG3 LYS A 61 1.483 -12.444 4.256 1.00 0.00 H new ATOM 0 HD2 LYS A 61 1.428 -12.484 1.930 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.752 -10.792 2.252 1.00 0.00 H new ATOM 0 HE2 LYS A 61 3.239 -11.354 0.500 1.00 0.00 H new ATOM 0 HE3 LYS A 61 4.246 -11.335 1.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 4.705 -13.246 0.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 4.065 -13.741 2.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 3.090 -13.759 0.669 1.00 0.00 H new ATOM 918 N GLY A 62 3.105 -9.677 8.127 1.00 0.00 N ATOM 919 CA GLY A 62 3.683 -8.734 9.085 1.00 0.00 C ATOM 920 C GLY A 62 3.865 -7.293 8.606 1.00 0.00 C ATOM 921 O GLY A 62 4.717 -6.579 9.138 1.00 0.00 O ATOM 0 H GLY A 62 2.319 -10.188 8.528 1.00 0.00 H new ATOM 0 HA2 GLY A 62 3.051 -8.720 9.973 1.00 0.00 H new ATOM 0 HA3 GLY A 62 4.656 -9.116 9.393 1.00 0.00 H new ATOM 925 N VAL A 63 3.105 -6.855 7.606 1.00 0.00 N ATOM 926 CA VAL A 63 3.065 -5.472 7.154 1.00 0.00 C ATOM 927 C VAL A 63 2.451 -4.625 8.272 1.00 0.00 C ATOM 928 O VAL A 63 1.321 -4.888 8.694 1.00 0.00 O ATOM 929 CB VAL A 63 2.269 -5.443 5.839 1.00 0.00 C ATOM 930 CG1 VAL A 63 2.012 -4.029 5.330 1.00 0.00 C ATOM 931 CG2 VAL A 63 3.059 -6.207 4.763 1.00 0.00 C ATOM 0 H VAL A 63 2.486 -7.469 7.076 1.00 0.00 H new ATOM 0 HA VAL A 63 4.051 -5.054 6.949 1.00 0.00 H new ATOM 0 HB VAL A 63 1.302 -5.905 6.039 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.446 -4.074 4.399 1.00 0.00 H new ATOM 0 HG12 VAL A 63 1.442 -3.472 6.074 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.963 -3.528 5.152 1.00 0.00 H new ATOM 0 HG21 VAL A 63 2.504 -6.193 3.825 1.00 0.00 H new ATOM 0 HG22 VAL A 63 4.029 -5.731 4.617 1.00 0.00 H new ATOM 0 HG23 VAL A 63 3.205 -7.239 5.083 1.00 0.00 H new ATOM 941 N GLU A 64 3.152 -3.570 8.710 1.00 0.00 N ATOM 942 CA GLU A 64 2.524 -2.521 9.517 1.00 0.00 C ATOM 943 C GLU A 64 2.705 -1.158 8.840 1.00 0.00 C ATOM 944 O GLU A 64 2.786 -0.139 9.528 1.00 0.00 O ATOM 945 CB GLU A 64 3.171 -2.424 10.914 1.00 0.00 C ATOM 946 CG GLU A 64 3.231 -3.685 11.776 1.00 0.00 C ATOM 947 CD GLU A 64 3.418 -3.243 13.230 1.00 0.00 C ATOM 948 OE1 GLU A 64 4.552 -2.924 13.654 1.00 0.00 O ATOM 949 OE2 GLU A 64 2.402 -3.059 13.937 1.00 0.00 O ATOM 0 H GLU A 64 4.143 -3.423 8.520 1.00 0.00 H new ATOM 0 HA GLU A 64 1.469 -2.779 9.612 1.00 0.00 H new ATOM 0 HB2 GLU A 64 4.191 -2.062 10.783 1.00 0.00 H new ATOM 0 HB3 GLU A 64 2.632 -1.662 11.477 1.00 0.00 H new ATOM 0 HG2 GLU A 64 2.316 -4.267 11.667 1.00 0.00 H new ATOM 0 HG3 GLU A 64 4.055 -4.325 11.461 1.00 0.00 H new ATOM 956 N TYR A 65 2.654 -1.074 7.509 1.00 0.00 N ATOM 957 CA TYR A 65 3.047 0.121 6.792 1.00 0.00 C ATOM 958 C TYR A 65 2.545 0.028 5.351 1.00 0.00 C ATOM 959 O TYR A 65 2.298 -1.059 4.817 1.00 0.00 O ATOM 960 CB TYR A 65 4.576 0.266 6.885 1.00 0.00 C ATOM 961 CG TYR A 65 5.063 1.552 7.509 1.00 0.00 C ATOM 962 CD1 TYR A 65 5.328 2.685 6.726 1.00 0.00 C ATOM 963 CD2 TYR A 65 5.290 1.604 8.894 1.00 0.00 C ATOM 964 CE1 TYR A 65 5.847 3.840 7.316 1.00 0.00 C ATOM 965 CE2 TYR A 65 5.873 2.732 9.484 1.00 0.00 C ATOM 966 CZ TYR A 65 6.169 3.860 8.688 1.00 0.00 C ATOM 967 OH TYR A 65 6.783 4.951 9.212 1.00 0.00 O ATOM 0 H TYR A 65 2.339 -1.835 6.908 1.00 0.00 H new ATOM 0 HA TYR A 65 2.602 1.015 7.229 1.00 0.00 H new ATOM 0 HB2 TYR A 65 4.970 -0.571 7.462 1.00 0.00 H new ATOM 0 HB3 TYR A 65 4.994 0.187 5.882 1.00 0.00 H new ATOM 0 HD1 TYR A 65 5.130 2.664 5.664 1.00 0.00 H new ATOM 0 HD2 TYR A 65 5.011 0.763 9.512 1.00 0.00 H new ATOM 0 HE1 TYR A 65 6.003 4.724 6.716 1.00 0.00 H new ATOM 0 HE2 TYR A 65 6.095 2.739 10.541 1.00 0.00 H new ATOM 0 HH TYR A 65 6.937 4.811 10.170 1.00 0.00 H new ATOM 977 N LEU A 66 2.395 1.166 4.683 1.00 0.00 N ATOM 978 CA LEU A 66 1.810 1.264 3.355 1.00 0.00 C ATOM 979 C LEU A 66 2.177 2.631 2.790 1.00 0.00 C ATOM 980 O LEU A 66 2.252 3.601 3.542 1.00 0.00 O ATOM 981 CB LEU A 66 0.286 1.079 3.505 1.00 0.00 C ATOM 982 CG LEU A 66 -0.574 1.635 2.372 1.00 0.00 C ATOM 983 CD1 LEU A 66 -0.433 0.929 1.035 1.00 0.00 C ATOM 984 CD2 LEU A 66 -2.056 1.568 2.747 1.00 0.00 C ATOM 0 H LEU A 66 2.685 2.068 5.061 1.00 0.00 H new ATOM 0 HA LEU A 66 2.180 0.502 2.669 1.00 0.00 H new ATOM 0 HB2 LEU A 66 0.078 0.013 3.602 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -0.027 1.551 4.436 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.209 2.654 2.248 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.086 1.403 0.303 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.601 0.995 0.696 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.712 -0.119 1.146 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.657 1.968 1.930 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.338 0.531 2.931 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.230 2.157 3.647 1.00 0.00 H new ATOM 996 N ILE A 67 2.337 2.711 1.470 1.00 0.00 N ATOM 997 CA ILE A 67 2.561 3.936 0.711 1.00 0.00 C ATOM 998 C ILE A 67 1.464 3.988 -0.355 1.00 0.00 C ATOM 999 O ILE A 67 1.533 3.167 -1.257 1.00 0.00 O ATOM 1000 CB ILE A 67 3.993 3.867 0.108 1.00 0.00 C ATOM 1001 CG1 ILE A 67 5.045 4.069 1.231 1.00 0.00 C ATOM 1002 CG2 ILE A 67 4.303 4.956 -0.930 1.00 0.00 C ATOM 1003 CD1 ILE A 67 6.399 3.427 0.920 1.00 0.00 C ATOM 0 H ILE A 67 2.312 1.883 0.874 1.00 0.00 H new ATOM 0 HA ILE A 67 2.507 4.843 1.313 1.00 0.00 H new ATOM 0 HB ILE A 67 4.038 2.890 -0.374 1.00 0.00 H new ATOM 0 HG12 ILE A 67 5.187 5.137 1.397 1.00 0.00 H new ATOM 0 HG13 ILE A 67 4.658 3.651 2.160 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.322 4.830 -1.296 1.00 0.00 H new ATOM 0 HG22 ILE A 67 3.605 4.873 -1.763 1.00 0.00 H new ATOM 0 HG23 ILE A 67 4.202 5.938 -0.468 1.00 0.00 H new ATOM 0 HD11 ILE A 67 7.086 3.607 1.747 1.00 0.00 H new ATOM 0 HD12 ILE A 67 6.270 2.353 0.783 1.00 0.00 H new ATOM 0 HD13 ILE A 67 6.807 3.863 0.008 1.00 0.00 H new ATOM 1015 N ALA A 68 0.433 4.840 -0.272 1.00 0.00 N ATOM 1016 CA ALA A 68 -0.640 4.875 -1.275 1.00 0.00 C ATOM 1017 C ALA A 68 -1.339 6.230 -1.287 1.00 0.00 C ATOM 1018 O ALA A 68 -1.752 6.707 -0.237 1.00 0.00 O ATOM 1019 CB ALA A 68 -1.699 3.825 -0.938 1.00 0.00 C ATOM 0 H ALA A 68 0.319 5.517 0.483 1.00 0.00 H new ATOM 0 HA ALA A 68 -0.184 4.682 -2.246 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.492 3.855 -1.685 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -1.242 2.835 -0.934 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -2.119 4.034 0.046 1.00 0.00 H new ATOM 1025 N SER A 69 -1.593 6.827 -2.448 1.00 0.00 N ATOM 1026 CA SER A 69 -2.147 8.195 -2.479 1.00 0.00 C ATOM 1027 C SER A 69 -3.547 8.305 -1.866 1.00 0.00 C ATOM 1028 O SER A 69 -4.009 9.394 -1.511 1.00 0.00 O ATOM 1029 CB SER A 69 -2.189 8.755 -3.897 1.00 0.00 C ATOM 1030 OG SER A 69 -3.163 8.090 -4.662 1.00 0.00 O ATOM 0 H SER A 69 -1.432 6.406 -3.363 1.00 0.00 H new ATOM 0 HA SER A 69 -1.464 8.783 -1.866 1.00 0.00 H new ATOM 0 HB2 SER A 69 -2.409 9.822 -3.866 1.00 0.00 H new ATOM 0 HB3 SER A 69 -1.212 8.644 -4.367 1.00 0.00 H new ATOM 0 HG SER A 69 -3.291 8.562 -5.511 1.00 0.00 H new ATOM 1036 N ASN A 70 -4.252 7.178 -1.794 1.00 0.00 N ATOM 1037 CA ASN A 70 -5.579 7.040 -1.246 1.00 0.00 C ATOM 1038 C ASN A 70 -5.789 5.554 -0.996 1.00 0.00 C ATOM 1039 O ASN A 70 -5.001 4.698 -1.421 1.00 0.00 O ATOM 1040 CB ASN A 70 -6.621 7.502 -2.275 1.00 0.00 C ATOM 1041 CG ASN A 70 -7.898 7.983 -1.609 1.00 0.00 C ATOM 1042 OD1 ASN A 70 -8.866 7.238 -1.503 1.00 0.00 O ATOM 1043 ND2 ASN A 70 -7.945 9.225 -1.172 1.00 0.00 N ATOM 0 H ASN A 70 -3.882 6.292 -2.139 1.00 0.00 H new ATOM 0 HA ASN A 70 -5.685 7.634 -0.339 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -6.202 8.306 -2.880 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -6.852 6.680 -2.952 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -8.796 9.581 -0.737 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -7.130 9.831 -1.268 1.00 0.00 H new ATOM 1050 N VAL A 71 -6.936 5.208 -0.440 1.00 0.00 N ATOM 1051 CA VAL A 71 -7.347 3.843 -0.230 1.00 0.00 C ATOM 1052 C VAL A 71 -8.461 3.508 -1.233 1.00 0.00 C ATOM 1053 O VAL A 71 -9.092 4.390 -1.801 1.00 0.00 O ATOM 1054 CB VAL A 71 -7.635 3.713 1.279 1.00 0.00 C ATOM 1055 CG1 VAL A 71 -9.033 4.085 1.738 1.00 0.00 C ATOM 1056 CG2 VAL A 71 -7.348 2.304 1.763 1.00 0.00 C ATOM 0 H VAL A 71 -7.621 5.891 -0.116 1.00 0.00 H new ATOM 0 HA VAL A 71 -6.602 3.077 -0.444 1.00 0.00 H new ATOM 0 HB VAL A 71 -6.964 4.451 1.719 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -9.109 3.951 2.817 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -9.234 5.126 1.486 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -9.762 3.445 1.241 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -7.558 2.236 2.830 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -7.979 1.598 1.223 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -6.300 2.064 1.584 1.00 0.00 H new ATOM 1066 N GLY A 72 -8.710 2.223 -1.473 1.00 0.00 N ATOM 1067 CA GLY A 72 -9.848 1.724 -2.258 1.00 0.00 C ATOM 1068 C GLY A 72 -11.138 1.690 -1.426 1.00 0.00 C ATOM 1069 O GLY A 72 -12.022 0.876 -1.688 1.00 0.00 O ATOM 0 H GLY A 72 -8.113 1.476 -1.119 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -9.995 2.359 -3.131 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -9.625 0.722 -2.626 1.00 0.00 H new ATOM 1073 N ARG A 73 -11.217 2.526 -0.387 1.00 0.00 N ATOM 1074 CA ARG A 73 -12.227 2.615 0.663 1.00 0.00 C ATOM 1075 C ARG A 73 -12.224 1.415 1.605 1.00 0.00 C ATOM 1076 O ARG A 73 -11.766 1.571 2.733 1.00 0.00 O ATOM 1077 CB ARG A 73 -13.591 3.010 0.079 1.00 0.00 C ATOM 1078 CG ARG A 73 -14.531 3.578 1.157 1.00 0.00 C ATOM 1079 CD ARG A 73 -15.111 4.944 0.763 1.00 0.00 C ATOM 1080 NE ARG A 73 -15.645 5.677 1.926 1.00 0.00 N ATOM 1081 CZ ARG A 73 -16.841 5.517 2.508 1.00 0.00 C ATOM 1082 NH1 ARG A 73 -17.713 4.633 2.043 1.00 0.00 N ATOM 1083 NH2 ARG A 73 -17.159 6.233 3.577 1.00 0.00 N ATOM 0 H ARG A 73 -10.494 3.232 -0.249 1.00 0.00 H new ATOM 0 HA ARG A 73 -11.958 3.433 1.331 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -13.449 3.752 -0.707 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -14.054 2.139 -0.385 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -15.346 2.876 1.331 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -13.987 3.674 2.097 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -14.336 5.542 0.283 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -15.904 4.802 0.029 1.00 0.00 H new ATOM 0 HE ARG A 73 -15.035 6.386 2.333 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -17.477 4.063 1.231 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -18.620 4.523 2.497 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -16.493 6.906 3.957 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -18.070 6.111 4.020 1.00 0.00 H new ATOM 1097 N ASN A 74 -12.664 0.237 1.152 1.00 0.00 N ATOM 1098 CA ASN A 74 -12.834 -1.013 1.919 1.00 0.00 C ATOM 1099 C ASN A 74 -11.512 -1.619 2.421 1.00 0.00 C ATOM 1100 O ASN A 74 -11.184 -2.771 2.121 1.00 0.00 O ATOM 1101 CB ASN A 74 -13.628 -2.035 1.077 1.00 0.00 C ATOM 1102 CG ASN A 74 -13.091 -2.222 -0.338 1.00 0.00 C ATOM 1103 OD1 ASN A 74 -13.689 -1.723 -1.281 1.00 0.00 O ATOM 1104 ND2 ASN A 74 -11.952 -2.854 -0.528 1.00 0.00 N ATOM 0 H ASN A 74 -12.930 0.117 0.175 1.00 0.00 H new ATOM 0 HA ASN A 74 -13.394 -0.758 2.818 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -13.619 -2.997 1.589 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -14.668 -1.714 1.021 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -11.562 -2.930 -1.467 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -11.460 -3.267 0.264 1.00 0.00 H new ATOM 1111 N ALA A 75 -10.721 -0.860 3.176 1.00 0.00 N ATOM 1112 CA ALA A 75 -9.442 -1.297 3.711 1.00 0.00 C ATOM 1113 C ALA A 75 -8.937 -0.452 4.877 1.00 0.00 C ATOM 1114 O ALA A 75 -8.153 -0.969 5.659 1.00 0.00 O ATOM 1115 CB ALA A 75 -8.395 -1.232 2.600 1.00 0.00 C ATOM 0 H ALA A 75 -10.961 0.097 3.436 1.00 0.00 H new ATOM 0 HA ALA A 75 -9.596 -2.309 4.085 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -7.430 -1.558 2.989 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -8.694 -1.884 1.780 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -8.313 -0.207 2.237 1.00 0.00 H new ATOM 1121 N PHE A 76 -9.271 0.841 4.985 1.00 0.00 N ATOM 1122 CA PHE A 76 -8.588 1.690 5.972 1.00 0.00 C ATOM 1123 C PHE A 76 -8.963 1.320 7.397 1.00 0.00 C ATOM 1124 O PHE A 76 -8.115 1.382 8.279 1.00 0.00 O ATOM 1125 CB PHE A 76 -8.860 3.159 5.686 1.00 0.00 C ATOM 1126 CG PHE A 76 -8.482 4.174 6.750 1.00 0.00 C ATOM 1127 CD1 PHE A 76 -7.146 4.603 6.885 1.00 0.00 C ATOM 1128 CD2 PHE A 76 -9.495 4.804 7.499 1.00 0.00 C ATOM 1129 CE1 PHE A 76 -6.841 5.720 7.686 1.00 0.00 C ATOM 1130 CE2 PHE A 76 -9.186 5.900 8.324 1.00 0.00 C ATOM 1131 CZ PHE A 76 -7.865 6.375 8.398 1.00 0.00 C ATOM 0 H PHE A 76 -9.983 1.309 4.424 1.00 0.00 H new ATOM 0 HA PHE A 76 -7.516 1.516 5.877 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -8.333 3.424 4.769 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -9.926 3.268 5.484 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -6.355 4.074 6.373 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -10.512 4.444 7.439 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -5.823 6.074 7.755 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -9.964 6.377 8.901 1.00 0.00 H new ATOM 0 HZ PHE A 76 -7.635 7.242 9.000 1.00 0.00 H new ATOM 1141 N GLU A 77 -10.191 0.867 7.611 1.00 0.00 N ATOM 1142 CA GLU A 77 -10.638 0.331 8.884 1.00 0.00 C ATOM 1143 C GLU A 77 -9.810 -0.900 9.255 1.00 0.00 C ATOM 1144 O GLU A 77 -9.467 -1.099 10.422 1.00 0.00 O ATOM 1145 CB GLU A 77 -12.107 -0.089 8.770 1.00 0.00 C ATOM 1146 CG GLU A 77 -13.040 1.037 8.306 1.00 0.00 C ATOM 1147 CD GLU A 77 -13.865 0.637 7.083 1.00 0.00 C ATOM 1148 OE1 GLU A 77 -14.934 0.003 7.254 1.00 0.00 O ATOM 1149 OE2 GLU A 77 -13.455 0.985 5.948 1.00 0.00 O ATOM 0 H GLU A 77 -10.914 0.863 6.892 1.00 0.00 H new ATOM 0 HA GLU A 77 -10.520 1.098 9.650 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -12.184 -0.922 8.072 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -12.447 -0.453 9.739 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -13.711 1.310 9.121 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -12.449 1.922 8.070 1.00 0.00 H new ATOM 1156 N THR A 78 -9.492 -1.699 8.238 1.00 0.00 N ATOM 1157 CA THR A 78 -8.819 -2.981 8.264 1.00 0.00 C ATOM 1158 C THR A 78 -7.305 -2.759 8.408 1.00 0.00 C ATOM 1159 O THR A 78 -6.582 -3.688 8.759 1.00 0.00 O ATOM 1160 CB THR A 78 -9.203 -3.752 6.961 1.00 0.00 C ATOM 1161 OG1 THR A 78 -10.327 -3.167 6.302 1.00 0.00 O ATOM 1162 CG2 THR A 78 -9.574 -5.197 7.266 1.00 0.00 C ATOM 0 H THR A 78 -9.726 -1.430 7.282 1.00 0.00 H new ATOM 0 HA THR A 78 -9.128 -3.584 9.118 1.00 0.00 H new ATOM 0 HB THR A 78 -8.324 -3.701 6.319 1.00 0.00 H new ATOM 0 HG1 THR A 78 -10.533 -3.678 5.491 1.00 0.00 H new ATOM 0 HG21 THR A 78 -9.837 -5.708 6.340 1.00 0.00 H new ATOM 0 HG22 THR A 78 -8.726 -5.700 7.731 1.00 0.00 H new ATOM 0 HG23 THR A 78 -10.425 -5.218 7.946 1.00 0.00 H new ATOM 1170 N LEU A 79 -6.828 -1.524 8.180 1.00 0.00 N ATOM 1171 CA LEU A 79 -5.434 -1.134 8.333 1.00 0.00 C ATOM 1172 C LEU A 79 -5.172 -0.874 9.809 1.00 0.00 C ATOM 1173 O LEU A 79 -4.337 -1.531 10.416 1.00 0.00 O ATOM 1174 CB LEU A 79 -5.097 0.086 7.442 1.00 0.00 C ATOM 1175 CG LEU A 79 -4.959 -0.268 5.944 1.00 0.00 C ATOM 1176 CD1 LEU A 79 -5.094 0.936 4.983 1.00 0.00 C ATOM 1177 CD2 LEU A 79 -3.617 -0.957 5.718 1.00 0.00 C ATOM 0 H LEU A 79 -7.425 -0.755 7.876 1.00 0.00 H new ATOM 0 HA LEU A 79 -4.776 -1.935 7.997 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -5.876 0.839 7.560 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.166 0.534 7.789 1.00 0.00 H new ATOM 0 HG LEU A 79 -5.794 -0.928 5.707 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -4.984 0.594 3.954 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -6.075 1.395 5.110 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.319 1.669 5.207 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -3.511 -1.210 4.663 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -2.810 -0.287 6.013 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.570 -1.867 6.316 1.00 0.00 H new ATOM 1189 N LYS A 80 -5.903 0.046 10.427 1.00 0.00 N ATOM 1190 CA LYS A 80 -5.778 0.360 11.841 1.00 0.00 C ATOM 1191 C LYS A 80 -6.117 -0.805 12.745 1.00 0.00 C ATOM 1192 O LYS A 80 -5.537 -0.879 13.826 1.00 0.00 O ATOM 1193 CB LYS A 80 -6.615 1.583 12.197 1.00 0.00 C ATOM 1194 CG LYS A 80 -7.988 1.727 11.517 1.00 0.00 C ATOM 1195 CD LYS A 80 -8.317 3.174 11.118 1.00 0.00 C ATOM 1196 CE LYS A 80 -7.238 3.785 10.215 1.00 0.00 C ATOM 1197 NZ LYS A 80 -6.284 4.683 10.916 1.00 0.00 N ATOM 0 H LYS A 80 -6.611 0.603 9.949 1.00 0.00 H new ATOM 0 HA LYS A 80 -4.726 0.585 12.014 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -6.773 1.580 13.276 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -6.029 2.472 11.963 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -8.014 1.097 10.628 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -8.761 1.358 12.191 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -9.277 3.198 10.602 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -8.423 3.782 12.017 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -6.678 2.978 9.743 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -7.725 4.345 9.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -6.556 5.673 10.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -6.303 4.482 11.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -5.324 4.523 10.550 1.00 0.00 H new ATOM 1211 N ALA A 81 -6.989 -1.712 12.302 1.00 0.00 N ATOM 1212 CA ALA A 81 -7.234 -2.968 12.991 1.00 0.00 C ATOM 1213 C ALA A 81 -5.943 -3.779 13.179 1.00 0.00 C ATOM 1214 O ALA A 81 -5.863 -4.560 14.126 1.00 0.00 O ATOM 1215 CB ALA A 81 -8.275 -3.791 12.225 1.00 0.00 C ATOM 0 H ALA A 81 -7.543 -1.591 11.454 1.00 0.00 H new ATOM 0 HA ALA A 81 -7.618 -2.734 13.984 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -8.453 -4.731 12.748 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -9.207 -3.230 12.161 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -7.907 -3.999 11.220 1.00 0.00 H new ATOM 1221 N ALA A 82 -4.931 -3.621 12.317 1.00 0.00 N ATOM 1222 CA ALA A 82 -3.625 -4.256 12.473 1.00 0.00 C ATOM 1223 C ALA A 82 -2.515 -3.197 12.601 1.00 0.00 C ATOM 1224 O ALA A 82 -1.396 -3.397 12.132 1.00 0.00 O ATOM 1225 CB ALA A 82 -3.414 -5.154 11.244 1.00 0.00 C ATOM 0 H ALA A 82 -5.001 -3.040 11.482 1.00 0.00 H new ATOM 0 HA ALA A 82 -3.585 -4.852 13.385 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -2.447 -5.651 11.318 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -4.204 -5.903 11.201 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -3.441 -4.546 10.340 1.00 0.00 H new ATOM 1231 N GLY A 83 -2.808 -2.091 13.289 1.00 0.00 N ATOM 1232 CA GLY A 83 -1.943 -0.934 13.488 1.00 0.00 C ATOM 1233 C GLY A 83 -1.113 -0.471 12.288 1.00 0.00 C ATOM 1234 O GLY A 83 -0.023 0.076 12.480 1.00 0.00 O ATOM 0 H GLY A 83 -3.711 -1.976 13.749 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -2.564 -0.099 13.813 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -1.259 -1.159 14.306 1.00 0.00 H new ATOM 1238 N VAL A 84 -1.597 -0.658 11.060 1.00 0.00 N ATOM 1239 CA VAL A 84 -0.818 -0.477 9.843 1.00 0.00 C ATOM 1240 C VAL A 84 -0.744 1.011 9.516 1.00 0.00 C ATOM 1241 O VAL A 84 -1.777 1.677 9.388 1.00 0.00 O ATOM 1242 CB VAL A 84 -1.443 -1.313 8.703 1.00 0.00 C ATOM 1243 CG1 VAL A 84 -0.582 -1.356 7.437 1.00 0.00 C ATOM 1244 CG2 VAL A 84 -1.669 -2.770 9.111 1.00 0.00 C ATOM 0 H VAL A 84 -2.560 -0.945 10.884 1.00 0.00 H new ATOM 0 HA VAL A 84 0.204 -0.833 9.976 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.386 -0.807 8.498 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -1.080 -1.959 6.678 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.439 -0.343 7.059 1.00 0.00 H new ATOM 0 HG13 VAL A 84 0.387 -1.796 7.671 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -2.110 -3.317 8.278 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -0.716 -3.225 9.380 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -2.343 -2.808 9.967 1.00 0.00 H new ATOM 1254 N LYS A 85 0.481 1.527 9.363 1.00 0.00 N ATOM 1255 CA LYS A 85 0.717 2.929 9.046 1.00 0.00 C ATOM 1256 C LYS A 85 0.480 3.136 7.563 1.00 0.00 C ATOM 1257 O LYS A 85 0.585 2.189 6.786 1.00 0.00 O ATOM 1258 CB LYS A 85 2.152 3.339 9.431 1.00 0.00 C ATOM 1259 CG LYS A 85 2.183 4.736 10.068 1.00 0.00 C ATOM 1260 CD LYS A 85 3.553 5.038 10.701 1.00 0.00 C ATOM 1261 CE LYS A 85 3.424 5.948 11.925 1.00 0.00 C ATOM 1262 NZ LYS A 85 2.811 5.246 13.070 1.00 0.00 N ATOM 0 H LYS A 85 1.335 0.977 9.457 1.00 0.00 H new ATOM 0 HA LYS A 85 0.032 3.555 9.617 1.00 0.00 H new ATOM 0 HB2 LYS A 85 2.566 2.610 10.128 1.00 0.00 H new ATOM 0 HB3 LYS A 85 2.786 3.327 8.544 1.00 0.00 H new ATOM 0 HG2 LYS A 85 1.957 5.487 9.311 1.00 0.00 H new ATOM 0 HG3 LYS A 85 1.406 4.807 10.829 1.00 0.00 H new ATOM 0 HD2 LYS A 85 4.033 4.104 10.991 1.00 0.00 H new ATOM 0 HD3 LYS A 85 4.199 5.512 9.962 1.00 0.00 H new ATOM 0 HE2 LYS A 85 4.410 6.315 12.210 1.00 0.00 H new ATOM 0 HE3 LYS A 85 2.821 6.819 11.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 3.012 5.769 13.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 1.782 5.187 12.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 3.206 4.287 13.141 1.00 0.00 H new ATOM 1276 N VAL A 86 0.163 4.361 7.154 1.00 0.00 N ATOM 1277 CA VAL A 86 -0.260 4.627 5.789 1.00 0.00 C ATOM 1278 C VAL A 86 0.272 5.996 5.433 1.00 0.00 C ATOM 1279 O VAL A 86 0.049 6.952 6.175 1.00 0.00 O ATOM 1280 CB VAL A 86 -1.798 4.572 5.654 1.00 0.00 C ATOM 1281 CG1 VAL A 86 -2.171 4.759 4.181 1.00 0.00 C ATOM 1282 CG2 VAL A 86 -2.375 3.254 6.215 1.00 0.00 C ATOM 0 H VAL A 86 0.192 5.186 7.753 1.00 0.00 H new ATOM 0 HA VAL A 86 0.129 3.869 5.109 1.00 0.00 H new ATOM 0 HB VAL A 86 -2.235 5.376 6.245 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -3.255 4.722 4.073 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -1.804 5.724 3.833 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -1.720 3.964 3.588 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -3.459 3.254 6.102 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -1.953 2.410 5.669 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -2.121 3.166 7.271 1.00 0.00 H new ATOM 1292 N TYR A 87 0.942 6.083 4.294 1.00 0.00 N ATOM 1293 CA TYR A 87 1.363 7.329 3.696 1.00 0.00 C ATOM 1294 C TYR A 87 0.506 7.659 2.485 1.00 0.00 C ATOM 1295 O TYR A 87 -0.259 6.804 2.035 1.00 0.00 O ATOM 1296 CB TYR A 87 2.847 7.226 3.333 1.00 0.00 C ATOM 1297 CG TYR A 87 3.738 7.537 4.520 1.00 0.00 C ATOM 1298 CD1 TYR A 87 3.859 6.642 5.601 1.00 0.00 C ATOM 1299 CD2 TYR A 87 4.388 8.774 4.578 1.00 0.00 C ATOM 1300 CE1 TYR A 87 4.619 7.003 6.730 1.00 0.00 C ATOM 1301 CE2 TYR A 87 5.188 9.125 5.671 1.00 0.00 C ATOM 1302 CZ TYR A 87 5.313 8.234 6.760 1.00 0.00 C ATOM 1303 OH TYR A 87 6.114 8.516 7.825 1.00 0.00 O ATOM 0 H TYR A 87 1.212 5.264 3.750 1.00 0.00 H new ATOM 0 HA TYR A 87 1.233 8.145 4.406 1.00 0.00 H new ATOM 0 HB2 TYR A 87 3.064 6.222 2.969 1.00 0.00 H new ATOM 0 HB3 TYR A 87 3.071 7.916 2.519 1.00 0.00 H new ATOM 0 HD1 TYR A 87 3.369 5.680 5.564 1.00 0.00 H new ATOM 0 HD2 TYR A 87 4.270 9.472 3.763 1.00 0.00 H new ATOM 0 HE1 TYR A 87 4.672 6.336 7.578 1.00 0.00 H new ATOM 0 HE2 TYR A 87 5.707 10.072 5.682 1.00 0.00 H new ATOM 0 HH TYR A 87 6.524 9.397 7.701 1.00 0.00 H new ATOM 1313 N ARG A 88 0.677 8.882 1.970 1.00 0.00 N ATOM 1314 CA ARG A 88 0.276 9.338 0.642 1.00 0.00 C ATOM 1315 C ARG A 88 1.507 9.511 -0.230 1.00 0.00 C ATOM 1316 O ARG A 88 2.603 9.662 0.304 1.00 0.00 O ATOM 1317 CB ARG A 88 -0.502 10.644 0.789 1.00 0.00 C ATOM 1318 CG ARG A 88 -0.829 11.402 -0.515 1.00 0.00 C ATOM 1319 CD ARG A 88 -2.240 12.000 -0.495 1.00 0.00 C ATOM 1320 NE ARG A 88 -2.279 13.313 0.181 1.00 0.00 N ATOM 1321 CZ ARG A 88 -2.231 14.512 -0.411 1.00 0.00 C ATOM 1322 NH1 ARG A 88 -2.060 14.612 -1.726 1.00 0.00 N ATOM 1323 NH2 ARG A 88 -2.328 15.605 0.329 1.00 0.00 N ATOM 0 H ARG A 88 1.128 9.623 2.506 1.00 0.00 H new ATOM 0 HA ARG A 88 -0.368 8.603 0.159 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -1.439 10.427 1.301 1.00 0.00 H new ATOM 0 HB3 ARG A 88 0.068 11.310 1.437 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -0.100 12.199 -0.663 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -0.736 10.723 -1.362 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -2.601 12.109 -1.518 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -2.917 11.312 0.011 1.00 0.00 H new ATOM 0 HE ARG A 88 -2.349 13.305 1.199 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -1.964 13.770 -2.293 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -2.025 15.531 -2.167 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -2.438 15.528 1.340 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -2.293 16.524 -0.112 1.00 0.00 H new ATOM 1337 N PHE A 89 1.333 9.354 -1.538 1.00 0.00 N ATOM 1338 CA PHE A 89 2.326 9.526 -2.582 1.00 0.00 C ATOM 1339 C PHE A 89 1.616 10.241 -3.744 1.00 0.00 C ATOM 1340 O PHE A 89 0.379 10.262 -3.793 1.00 0.00 O ATOM 1341 CB PHE A 89 2.913 8.138 -2.957 1.00 0.00 C ATOM 1342 CG PHE A 89 2.589 7.669 -4.373 1.00 0.00 C ATOM 1343 CD1 PHE A 89 1.245 7.368 -4.668 1.00 0.00 C ATOM 1344 CD2 PHE A 89 3.541 7.620 -5.415 1.00 0.00 C ATOM 1345 CE1 PHE A 89 0.815 7.119 -5.980 1.00 0.00 C ATOM 1346 CE2 PHE A 89 3.110 7.338 -6.716 1.00 0.00 C ATOM 1347 CZ PHE A 89 1.755 7.121 -7.017 1.00 0.00 C ATOM 0 H PHE A 89 0.427 9.083 -1.920 1.00 0.00 H new ATOM 0 HA PHE A 89 3.177 10.133 -2.274 1.00 0.00 H new ATOM 0 HB2 PHE A 89 3.996 8.173 -2.840 1.00 0.00 H new ATOM 0 HB3 PHE A 89 2.540 7.398 -2.249 1.00 0.00 H new ATOM 0 HD1 PHE A 89 0.526 7.328 -3.863 1.00 0.00 H new ATOM 0 HD2 PHE A 89 4.587 7.798 -5.211 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -0.228 6.928 -6.187 1.00 0.00 H new ATOM 0 HE2 PHE A 89 3.839 7.286 -7.511 1.00 0.00 H new ATOM 0 HZ PHE A 89 1.442 6.957 -8.038 1.00 0.00 H new ATOM 1357 N GLU A 90 2.369 10.732 -4.723 1.00 0.00 N ATOM 1358 CA GLU A 90 1.859 11.205 -6.000 1.00 0.00 C ATOM 1359 C GLU A 90 2.854 10.852 -7.110 1.00 0.00 C ATOM 1360 O GLU A 90 4.033 11.171 -6.992 1.00 0.00 O ATOM 1361 CB GLU A 90 1.600 12.719 -5.919 1.00 0.00 C ATOM 1362 CG GLU A 90 0.966 13.231 -7.216 1.00 0.00 C ATOM 1363 CD GLU A 90 0.542 14.692 -7.107 1.00 0.00 C ATOM 1364 OE1 GLU A 90 1.417 15.593 -7.049 1.00 0.00 O ATOM 1365 OE2 GLU A 90 -0.684 14.950 -7.098 1.00 0.00 O ATOM 0 H GLU A 90 3.383 10.813 -4.644 1.00 0.00 H new ATOM 0 HA GLU A 90 0.913 10.717 -6.235 1.00 0.00 H new ATOM 0 HB2 GLU A 90 0.943 12.936 -5.077 1.00 0.00 H new ATOM 0 HB3 GLU A 90 2.537 13.244 -5.735 1.00 0.00 H new ATOM 0 HG2 GLU A 90 1.676 13.120 -8.035 1.00 0.00 H new ATOM 0 HG3 GLU A 90 0.098 12.619 -7.461 1.00 0.00 H new ATOM 1372 N GLY A 91 2.363 10.226 -8.183 1.00 0.00 N ATOM 1373 CA GLY A 91 2.995 10.044 -9.485 1.00 0.00 C ATOM 1374 C GLY A 91 4.456 9.610 -9.458 1.00 0.00 C ATOM 1375 O GLY A 91 5.366 10.437 -9.475 1.00 0.00 O ATOM 0 H GLY A 91 1.437 9.800 -8.157 1.00 0.00 H new ATOM 0 HA2 GLY A 91 2.425 9.302 -10.044 1.00 0.00 H new ATOM 0 HA3 GLY A 91 2.924 10.981 -10.037 1.00 0.00 H new ATOM 1379 N GLY A 92 4.675 8.300 -9.463 1.00 0.00 N ATOM 1380 CA GLY A 92 5.966 7.663 -9.285 1.00 0.00 C ATOM 1381 C GLY A 92 5.810 6.162 -9.455 1.00 0.00 C ATOM 1382 O GLY A 92 4.691 5.640 -9.454 1.00 0.00 O ATOM 0 H GLY A 92 3.921 7.627 -9.598 1.00 0.00 H new ATOM 0 HA2 GLY A 92 6.680 8.051 -10.012 1.00 0.00 H new ATOM 0 HA3 GLY A 92 6.363 7.890 -8.296 1.00 0.00 H new ATOM 1386 N THR A 93 6.912 5.457 -9.654 1.00 0.00 N ATOM 1387 CA THR A 93 6.935 4.009 -9.641 1.00 0.00 C ATOM 1388 C THR A 93 7.206 3.505 -8.221 1.00 0.00 C ATOM 1389 O THR A 93 7.423 4.312 -7.316 1.00 0.00 O ATOM 1390 CB THR A 93 7.972 3.512 -10.652 1.00 0.00 C ATOM 1391 OG1 THR A 93 9.208 4.181 -10.496 1.00 0.00 O ATOM 1392 CG2 THR A 93 7.488 3.711 -12.086 1.00 0.00 C ATOM 0 H THR A 93 7.823 5.881 -9.831 1.00 0.00 H new ATOM 0 HA THR A 93 5.966 3.609 -9.940 1.00 0.00 H new ATOM 0 HB THR A 93 8.110 2.448 -10.459 1.00 0.00 H new ATOM 0 HG1 THR A 93 9.849 3.841 -11.154 1.00 0.00 H new ATOM 0 HG21 THR A 93 8.247 3.348 -12.780 1.00 0.00 H new ATOM 0 HG22 THR A 93 6.562 3.156 -12.238 1.00 0.00 H new ATOM 0 HG23 THR A 93 7.309 4.771 -12.266 1.00 0.00 H new ATOM 1400 N VAL A 94 7.139 2.188 -7.989 1.00 0.00 N ATOM 1401 CA VAL A 94 7.373 1.574 -6.691 1.00 0.00 C ATOM 1402 C VAL A 94 8.614 2.180 -6.030 1.00 0.00 C ATOM 1403 O VAL A 94 8.522 2.533 -4.861 1.00 0.00 O ATOM 1404 CB VAL A 94 7.381 0.037 -6.831 1.00 0.00 C ATOM 1405 CG1 VAL A 94 7.852 -0.668 -5.563 1.00 0.00 C ATOM 1406 CG2 VAL A 94 5.981 -0.486 -7.185 1.00 0.00 C ATOM 0 H VAL A 94 6.915 1.512 -8.719 1.00 0.00 H new ATOM 0 HA VAL A 94 6.557 1.796 -6.004 1.00 0.00 H new ATOM 0 HB VAL A 94 8.085 -0.187 -7.632 1.00 0.00 H new ATOM 0 HG11 VAL A 94 7.837 -1.747 -5.719 1.00 0.00 H new ATOM 0 HG12 VAL A 94 8.867 -0.350 -5.325 1.00 0.00 H new ATOM 0 HG13 VAL A 94 7.189 -0.412 -4.737 1.00 0.00 H new ATOM 0 HG21 VAL A 94 6.011 -1.572 -7.279 1.00 0.00 H new ATOM 0 HG22 VAL A 94 5.279 -0.209 -6.398 1.00 0.00 H new ATOM 0 HG23 VAL A 94 5.658 -0.049 -8.130 1.00 0.00 H new ATOM 1416 N GLN A 95 9.710 2.399 -6.762 1.00 0.00 N ATOM 1417 CA GLN A 95 10.905 3.016 -6.206 1.00 0.00 C ATOM 1418 C GLN A 95 10.726 4.433 -5.678 1.00 0.00 C ATOM 1419 O GLN A 95 11.312 4.755 -4.656 1.00 0.00 O ATOM 1420 CB GLN A 95 12.062 2.970 -7.209 1.00 0.00 C ATOM 1421 CG GLN A 95 13.404 2.881 -6.472 1.00 0.00 C ATOM 1422 CD GLN A 95 14.550 2.620 -7.439 1.00 0.00 C ATOM 1423 OE1 GLN A 95 14.559 1.621 -8.157 1.00 0.00 O ATOM 1424 NE2 GLN A 95 15.535 3.492 -7.470 1.00 0.00 N ATOM 0 H GLN A 95 9.788 2.154 -7.749 1.00 0.00 H new ATOM 0 HA GLN A 95 11.138 2.411 -5.330 1.00 0.00 H new ATOM 0 HB2 GLN A 95 11.945 2.111 -7.870 1.00 0.00 H new ATOM 0 HB3 GLN A 95 12.043 3.861 -7.837 1.00 0.00 H new ATOM 0 HG2 GLN A 95 13.586 3.809 -5.931 1.00 0.00 H new ATOM 0 HG3 GLN A 95 13.362 2.083 -5.731 1.00 0.00 H new ATOM 0 HE21 GLN A 95 15.508 4.314 -6.866 1.00 0.00 H new ATOM 0 HE22 GLN A 95 16.326 3.346 -8.098 1.00 0.00 H new ATOM 1433 N GLU A 96 9.916 5.259 -6.323 1.00 0.00 N ATOM 1434 CA GLU A 96 9.634 6.625 -5.926 1.00 0.00 C ATOM 1435 C GLU A 96 8.796 6.611 -4.673 1.00 0.00 C ATOM 1436 O GLU A 96 9.044 7.406 -3.782 1.00 0.00 O ATOM 1437 CB GLU A 96 8.806 7.310 -7.008 1.00 0.00 C ATOM 1438 CG GLU A 96 9.534 7.594 -8.319 1.00 0.00 C ATOM 1439 CD GLU A 96 10.959 8.113 -8.106 1.00 0.00 C ATOM 1440 OE1 GLU A 96 11.135 9.194 -7.499 1.00 0.00 O ATOM 1441 OE2 GLU A 96 11.908 7.413 -8.528 1.00 0.00 O ATOM 0 H GLU A 96 9.419 4.983 -7.170 1.00 0.00 H new ATOM 0 HA GLU A 96 10.577 7.148 -5.767 1.00 0.00 H new ATOM 0 HB2 GLU A 96 7.938 6.688 -7.224 1.00 0.00 H new ATOM 0 HB3 GLU A 96 8.431 8.253 -6.610 1.00 0.00 H new ATOM 0 HG2 GLU A 96 9.570 6.682 -8.915 1.00 0.00 H new ATOM 0 HG3 GLU A 96 8.967 8.327 -8.893 1.00 0.00 H new ATOM 1448 N ALA A 97 7.822 5.704 -4.580 1.00 0.00 N ATOM 1449 CA ALA A 97 7.096 5.480 -3.354 1.00 0.00 C ATOM 1450 C ALA A 97 8.049 5.314 -2.158 1.00 0.00 C ATOM 1451 O ALA A 97 7.764 5.848 -1.090 1.00 0.00 O ATOM 1452 CB ALA A 97 6.186 4.271 -3.581 1.00 0.00 C ATOM 0 H ALA A 97 7.524 5.112 -5.356 1.00 0.00 H new ATOM 0 HA ALA A 97 6.482 6.343 -3.097 1.00 0.00 H new ATOM 0 HB1 ALA A 97 5.618 4.068 -2.673 1.00 0.00 H new ATOM 0 HB2 ALA A 97 5.499 4.482 -4.400 1.00 0.00 H new ATOM 0 HB3 ALA A 97 6.793 3.401 -3.831 1.00 0.00 H new ATOM 1458 N ILE A 98 9.174 4.617 -2.334 1.00 0.00 N ATOM 1459 CA ILE A 98 10.168 4.387 -1.289 1.00 0.00 C ATOM 1460 C ILE A 98 10.994 5.642 -1.167 1.00 0.00 C ATOM 1461 O ILE A 98 10.994 6.220 -0.104 1.00 0.00 O ATOM 1462 CB ILE A 98 11.138 3.222 -1.590 1.00 0.00 C ATOM 1463 CG1 ILE A 98 10.485 2.094 -2.353 1.00 0.00 C ATOM 1464 CG2 ILE A 98 11.849 2.724 -0.322 1.00 0.00 C ATOM 1465 CD1 ILE A 98 9.262 1.468 -1.697 1.00 0.00 C ATOM 0 H ILE A 98 9.422 4.189 -3.226 1.00 0.00 H new ATOM 0 HA ILE A 98 9.625 4.128 -0.380 1.00 0.00 H new ATOM 0 HB ILE A 98 11.904 3.629 -2.250 1.00 0.00 H new ATOM 0 HG12 ILE A 98 10.196 2.466 -3.336 1.00 0.00 H new ATOM 0 HG13 ILE A 98 11.227 1.312 -2.514 1.00 0.00 H new ATOM 0 HG21 ILE A 98 12.521 1.905 -0.579 1.00 0.00 H new ATOM 0 HG22 ILE A 98 12.423 3.540 0.118 1.00 0.00 H new ATOM 0 HG23 ILE A 98 11.108 2.373 0.397 1.00 0.00 H new ATOM 0 HD11 ILE A 98 8.877 0.670 -2.332 1.00 0.00 H new ATOM 0 HD12 ILE A 98 9.540 1.057 -0.727 1.00 0.00 H new ATOM 0 HD13 ILE A 98 8.493 2.228 -1.562 1.00 0.00 H new ATOM 1477 N ASP A 99 11.675 6.050 -2.235 1.00 0.00 N ATOM 1478 CA ASP A 99 12.656 7.126 -2.316 1.00 0.00 C ATOM 1479 C ASP A 99 12.052 8.443 -1.874 1.00 0.00 C ATOM 1480 O ASP A 99 12.766 9.375 -1.507 1.00 0.00 O ATOM 1481 CB ASP A 99 13.175 7.255 -3.765 1.00 0.00 C ATOM 1482 CG ASP A 99 14.323 6.308 -4.106 1.00 0.00 C ATOM 1483 OD1 ASP A 99 14.877 5.641 -3.199 1.00 0.00 O ATOM 1484 OD2 ASP A 99 14.699 6.215 -5.295 1.00 0.00 O ATOM 0 H ASP A 99 11.543 5.598 -3.140 1.00 0.00 H new ATOM 0 HA ASP A 99 13.484 6.884 -1.650 1.00 0.00 H new ATOM 0 HB2 ASP A 99 12.350 7.069 -4.452 1.00 0.00 H new ATOM 0 HB3 ASP A 99 13.504 8.281 -3.931 1.00 0.00 H new ATOM 1489 N ALA A 100 10.727 8.535 -1.919 1.00 0.00 N ATOM 1490 CA ALA A 100 10.010 9.671 -1.376 1.00 0.00 C ATOM 1491 C ALA A 100 9.816 9.475 0.128 1.00 0.00 C ATOM 1492 O ALA A 100 10.168 10.350 0.915 1.00 0.00 O ATOM 1493 CB ALA A 100 8.704 9.859 -2.151 1.00 0.00 C ATOM 0 H ALA A 100 10.126 7.823 -2.333 1.00 0.00 H new ATOM 0 HA ALA A 100 10.578 10.594 -1.496 1.00 0.00 H new ATOM 0 HB1 ALA A 100 8.160 10.713 -1.746 1.00 0.00 H new ATOM 0 HB2 ALA A 100 8.927 10.037 -3.203 1.00 0.00 H new ATOM 0 HB3 ALA A 100 8.092 8.962 -2.057 1.00 0.00 H new ATOM 1499 N PHE A 101 9.266 8.333 0.539 1.00 0.00 N ATOM 1500 CA PHE A 101 9.008 8.018 1.937 1.00 0.00 C ATOM 1501 C PHE A 101 10.279 8.025 2.789 1.00 0.00 C ATOM 1502 O PHE A 101 10.297 8.589 3.889 1.00 0.00 O ATOM 1503 CB PHE A 101 8.319 6.650 2.014 1.00 0.00 C ATOM 1504 CG PHE A 101 8.411 5.989 3.373 1.00 0.00 C ATOM 1505 CD1 PHE A 101 7.713 6.545 4.458 1.00 0.00 C ATOM 1506 CD2 PHE A 101 9.282 4.900 3.582 1.00 0.00 C ATOM 1507 CE1 PHE A 101 7.912 6.042 5.751 1.00 0.00 C ATOM 1508 CE2 PHE A 101 9.436 4.369 4.874 1.00 0.00 C ATOM 1509 CZ PHE A 101 8.747 4.934 5.958 1.00 0.00 C ATOM 0 H PHE A 101 8.984 7.592 -0.102 1.00 0.00 H new ATOM 0 HA PHE A 101 8.362 8.795 2.346 1.00 0.00 H new ATOM 0 HB2 PHE A 101 7.268 6.769 1.750 1.00 0.00 H new ATOM 0 HB3 PHE A 101 8.762 5.989 1.269 1.00 0.00 H new ATOM 0 HD1 PHE A 101 7.023 7.360 4.296 1.00 0.00 H new ATOM 0 HD2 PHE A 101 9.828 4.476 2.753 1.00 0.00 H new ATOM 0 HE1 PHE A 101 7.420 6.509 6.591 1.00 0.00 H new ATOM 0 HE2 PHE A 101 10.087 3.522 5.033 1.00 0.00 H new ATOM 0 HZ PHE A 101 8.859 4.517 6.948 1.00 0.00 H new ATOM 1519 N SER A 102 11.308 7.325 2.334 1.00 0.00 N ATOM 1520 CA SER A 102 12.500 7.004 3.091 1.00 0.00 C ATOM 1521 C SER A 102 13.240 8.290 3.435 1.00 0.00 C ATOM 1522 O SER A 102 13.616 8.483 4.593 1.00 0.00 O ATOM 1523 CB SER A 102 13.331 6.000 2.288 1.00 0.00 C ATOM 1524 OG SER A 102 13.648 6.504 1.002 1.00 0.00 O ATOM 0 H SER A 102 11.332 6.951 1.385 1.00 0.00 H new ATOM 0 HA SER A 102 12.262 6.529 4.043 1.00 0.00 H new ATOM 0 HB2 SER A 102 14.250 5.772 2.828 1.00 0.00 H new ATOM 0 HB3 SER A 102 12.779 5.065 2.188 1.00 0.00 H new ATOM 0 HG SER A 102 12.863 6.433 0.420 1.00 0.00 H new ATOM 1530 N GLU A 103 13.326 9.215 2.475 1.00 0.00 N ATOM 1531 CA GLU A 103 13.934 10.525 2.651 1.00 0.00 C ATOM 1532 C GLU A 103 12.846 11.542 3.037 1.00 0.00 C ATOM 1533 O GLU A 103 12.938 12.729 2.742 1.00 0.00 O ATOM 1534 CB GLU A 103 14.630 10.883 1.321 1.00 0.00 C ATOM 1535 CG GLU A 103 15.685 9.855 0.845 1.00 0.00 C ATOM 1536 CD GLU A 103 17.094 10.121 1.386 1.00 0.00 C ATOM 1537 OE1 GLU A 103 17.698 11.173 1.083 1.00 0.00 O ATOM 1538 OE2 GLU A 103 17.647 9.291 2.148 1.00 0.00 O ATOM 0 H GLU A 103 12.964 9.064 1.533 1.00 0.00 H new ATOM 0 HA GLU A 103 14.672 10.533 3.453 1.00 0.00 H new ATOM 0 HB2 GLU A 103 13.871 10.989 0.546 1.00 0.00 H new ATOM 0 HB3 GLU A 103 15.112 11.854 1.429 1.00 0.00 H new ATOM 0 HG2 GLU A 103 15.371 8.857 1.151 1.00 0.00 H new ATOM 0 HG3 GLU A 103 15.717 9.859 -0.245 1.00 0.00 H new ATOM 1545 N GLY A 104 11.885 11.082 3.843 1.00 0.00 N ATOM 1546 CA GLY A 104 10.873 11.832 4.568 1.00 0.00 C ATOM 1547 C GLY A 104 10.030 12.819 3.769 1.00 0.00 C ATOM 1548 O GLY A 104 9.429 13.710 4.368 1.00 0.00 O ATOM 0 H GLY A 104 11.793 10.081 4.016 1.00 0.00 H new ATOM 0 HA2 GLY A 104 10.199 11.118 5.042 1.00 0.00 H new ATOM 0 HA3 GLY A 104 11.369 12.382 5.368 1.00 0.00 H new ATOM 1552 N ARG A 105 9.939 12.685 2.445 1.00 0.00 N ATOM 1553 CA ARG A 105 9.160 13.587 1.598 1.00 0.00 C ATOM 1554 C ARG A 105 7.784 13.013 1.297 1.00 0.00 C ATOM 1555 O ARG A 105 7.247 13.284 0.221 1.00 0.00 O ATOM 1556 CB ARG A 105 9.917 13.726 0.270 1.00 0.00 C ATOM 1557 CG ARG A 105 11.192 14.546 0.389 1.00 0.00 C ATOM 1558 CD ARG A 105 12.132 14.161 -0.752 1.00 0.00 C ATOM 1559 NE ARG A 105 12.971 15.301 -1.100 1.00 0.00 N ATOM 1560 CZ ARG A 105 12.819 16.130 -2.132 1.00 0.00 C ATOM 1561 NH1 ARG A 105 11.956 15.874 -3.109 1.00 0.00 N ATOM 1562 NH2 ARG A 105 13.554 17.229 -2.164 1.00 0.00 N ATOM 0 H ARG A 105 10.408 11.942 1.927 1.00 0.00 H new ATOM 0 HA ARG A 105 9.032 14.541 2.109 1.00 0.00 H new ATOM 0 HB2 ARG A 105 10.165 12.733 -0.105 1.00 0.00 H new ATOM 0 HB3 ARG A 105 9.262 14.190 -0.467 1.00 0.00 H new ATOM 0 HG2 ARG A 105 10.962 15.611 0.346 1.00 0.00 H new ATOM 0 HG3 ARG A 105 11.671 14.362 1.351 1.00 0.00 H new ATOM 0 HD2 ARG A 105 12.754 13.316 -0.455 1.00 0.00 H new ATOM 0 HD3 ARG A 105 11.555 13.843 -1.620 1.00 0.00 H new ATOM 0 HE ARG A 105 13.763 15.485 -0.484 1.00 0.00 H new ATOM 0 HH11 ARG A 105 11.390 15.026 -3.080 1.00 0.00 H new ATOM 0 HH12 ARG A 105 11.859 16.526 -3.888 1.00 0.00 H new ATOM 0 HH21 ARG A 105 14.215 17.423 -1.412 1.00 0.00 H new ATOM 0 HH22 ARG A 105 13.460 17.883 -2.941 1.00 0.00 H new ATOM 1576 N LEU A 106 7.135 12.338 2.239 1.00 0.00 N ATOM 1577 CA LEU A 106 5.757 11.922 2.057 1.00 0.00 C ATOM 1578 C LEU A 106 4.974 12.228 3.325 1.00 0.00 C ATOM 1579 O LEU A 106 5.534 12.543 4.379 1.00 0.00 O ATOM 1580 CB LEU A 106 5.647 10.429 1.721 1.00 0.00 C ATOM 1581 CG LEU A 106 6.129 9.951 0.340 1.00 0.00 C ATOM 1582 CD1 LEU A 106 5.718 8.480 0.174 1.00 0.00 C ATOM 1583 CD2 LEU A 106 5.553 10.689 -0.883 1.00 0.00 C ATOM 0 H LEU A 106 7.544 12.069 3.134 1.00 0.00 H new ATOM 0 HA LEU A 106 5.343 12.475 1.214 1.00 0.00 H new ATOM 0 HB2 LEU A 106 6.206 9.877 2.477 1.00 0.00 H new ATOM 0 HB3 LEU A 106 4.601 10.142 1.825 1.00 0.00 H new ATOM 0 HG LEU A 106 7.203 10.140 0.345 1.00 0.00 H new ATOM 0 HD11 LEU A 106 6.049 8.117 -0.799 1.00 0.00 H new ATOM 0 HD12 LEU A 106 6.179 7.882 0.960 1.00 0.00 H new ATOM 0 HD13 LEU A 106 4.633 8.395 0.243 1.00 0.00 H new ATOM 0 HD21 LEU A 106 5.968 10.261 -1.795 1.00 0.00 H new ATOM 0 HD22 LEU A 106 4.468 10.583 -0.894 1.00 0.00 H new ATOM 0 HD23 LEU A 106 5.814 11.746 -0.827 1.00 0.00 H new ATOM 1595 N GLU A 107 3.659 12.092 3.209 1.00 0.00 N ATOM 1596 CA GLU A 107 2.682 12.511 4.195 1.00 0.00 C ATOM 1597 C GLU A 107 2.101 11.273 4.837 1.00 0.00 C ATOM 1598 O GLU A 107 1.792 10.318 4.124 1.00 0.00 O ATOM 1599 CB GLU A 107 1.541 13.244 3.487 1.00 0.00 C ATOM 1600 CG GLU A 107 2.025 14.478 2.732 1.00 0.00 C ATOM 1601 CD GLU A 107 2.297 15.680 3.642 1.00 0.00 C ATOM 1602 OE1 GLU A 107 1.711 15.772 4.751 1.00 0.00 O ATOM 1603 OE2 GLU A 107 2.996 16.604 3.184 1.00 0.00 O ATOM 0 H GLU A 107 3.230 11.667 2.387 1.00 0.00 H new ATOM 0 HA GLU A 107 3.152 13.159 4.934 1.00 0.00 H new ATOM 0 HB2 GLU A 107 1.052 12.563 2.790 1.00 0.00 H new ATOM 0 HB3 GLU A 107 0.792 13.541 4.221 1.00 0.00 H new ATOM 0 HG2 GLU A 107 2.937 14.229 2.190 1.00 0.00 H new ATOM 0 HG3 GLU A 107 1.278 14.756 1.989 1.00 0.00 H new ATOM 1610 N GLU A 108 1.902 11.290 6.148 1.00 0.00 N ATOM 1611 CA GLU A 108 1.215 10.219 6.853 1.00 0.00 C ATOM 1612 C GLU A 108 -0.281 10.452 6.634 1.00 0.00 C ATOM 1613 O GLU A 108 -0.861 11.425 7.126 1.00 0.00 O ATOM 1614 CB GLU A 108 1.611 10.214 8.339 1.00 0.00 C ATOM 1615 CG GLU A 108 2.042 8.829 8.847 1.00 0.00 C ATOM 1616 CD GLU A 108 2.207 8.855 10.366 1.00 0.00 C ATOM 1617 OE1 GLU A 108 1.187 8.946 11.085 1.00 0.00 O ATOM 1618 OE2 GLU A 108 3.357 8.841 10.855 1.00 0.00 O ATOM 0 H GLU A 108 2.214 12.050 6.753 1.00 0.00 H new ATOM 0 HA GLU A 108 1.491 9.234 6.476 1.00 0.00 H new ATOM 0 HB2 GLU A 108 2.427 10.920 8.493 1.00 0.00 H new ATOM 0 HB3 GLU A 108 0.768 10.566 8.934 1.00 0.00 H new ATOM 0 HG2 GLU A 108 1.299 8.083 8.567 1.00 0.00 H new ATOM 0 HG3 GLU A 108 2.981 8.536 8.376 1.00 0.00 H new ATOM 1625 N LEU A 109 -0.911 9.609 5.823 1.00 0.00 N ATOM 1626 CA LEU A 109 -2.320 9.719 5.479 1.00 0.00 C ATOM 1627 C LEU A 109 -3.148 8.818 6.396 1.00 0.00 C ATOM 1628 O LEU A 109 -3.952 7.994 5.940 1.00 0.00 O ATOM 1629 CB LEU A 109 -2.518 9.397 3.997 1.00 0.00 C ATOM 1630 CG LEU A 109 -3.878 9.928 3.499 1.00 0.00 C ATOM 1631 CD1 LEU A 109 -3.842 11.432 3.215 1.00 0.00 C ATOM 1632 CD2 LEU A 109 -4.289 9.181 2.238 1.00 0.00 C ATOM 0 H LEU A 109 -0.446 8.817 5.379 1.00 0.00 H new ATOM 0 HA LEU A 109 -2.667 10.740 5.634 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -1.713 9.842 3.413 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -2.465 8.319 3.844 1.00 0.00 H new ATOM 0 HG LEU A 109 -4.607 9.759 4.292 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -4.821 11.760 2.867 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -3.583 11.969 4.128 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -3.096 11.640 2.448 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -5.250 9.558 1.889 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -3.537 9.332 1.464 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -4.375 8.117 2.457 1.00 0.00 H new ATOM 1644 N THR A 110 -2.947 8.918 7.708 1.00 0.00 N ATOM 1645 CA THR A 110 -3.563 7.998 8.660 1.00 0.00 C ATOM 1646 C THR A 110 -4.963 8.494 9.048 1.00 0.00 C ATOM 1647 O THR A 110 -5.440 8.284 10.161 1.00 0.00 O ATOM 1648 CB THR A 110 -2.603 7.849 9.855 1.00 0.00 C ATOM 1649 OG1 THR A 110 -2.313 9.093 10.466 1.00 0.00 O ATOM 1650 CG2 THR A 110 -1.271 7.268 9.364 1.00 0.00 C ATOM 0 H THR A 110 -2.358 9.632 8.138 1.00 0.00 H new ATOM 0 HA THR A 110 -3.717 7.010 8.225 1.00 0.00 H new ATOM 0 HB THR A 110 -3.093 7.199 10.579 1.00 0.00 H new ATOM 0 HG1 THR A 110 -1.703 8.953 11.220 1.00 0.00 H new ATOM 0 HG21 THR A 110 -0.588 7.161 10.207 1.00 0.00 H new ATOM 0 HG22 THR A 110 -1.445 6.292 8.911 1.00 0.00 H new ATOM 0 HG23 THR A 110 -0.832 7.938 8.625 1.00 0.00 H new ATOM 1658 N THR A 111 -5.683 9.058 8.084 1.00 0.00 N ATOM 1659 CA THR A 111 -6.841 9.925 8.205 1.00 0.00 C ATOM 1660 C THR A 111 -6.899 10.641 6.859 1.00 0.00 C ATOM 1661 O THR A 111 -5.887 11.137 6.362 1.00 0.00 O ATOM 1662 CB THR A 111 -6.798 10.885 9.427 1.00 0.00 C ATOM 1663 OG1 THR A 111 -7.784 11.887 9.256 1.00 0.00 O ATOM 1664 CG2 THR A 111 -5.453 11.584 9.690 1.00 0.00 C ATOM 0 H THR A 111 -5.444 8.902 7.105 1.00 0.00 H new ATOM 0 HA THR A 111 -7.750 9.360 8.412 1.00 0.00 H new ATOM 0 HB THR A 111 -6.975 10.245 10.292 1.00 0.00 H new ATOM 0 HG1 THR A 111 -7.767 12.497 10.023 1.00 0.00 H new ATOM 0 HG21 THR A 111 -5.542 12.227 10.565 1.00 0.00 H new ATOM 0 HG22 THR A 111 -4.682 10.834 9.868 1.00 0.00 H new ATOM 0 HG23 THR A 111 -5.180 12.186 8.823 1.00 0.00 H new ATOM 1672 N PHE A 112 -8.077 10.653 6.253 1.00 0.00 N ATOM 1673 CA PHE A 112 -8.416 11.361 5.031 1.00 0.00 C ATOM 1674 C PHE A 112 -9.893 11.703 5.139 1.00 0.00 C ATOM 1675 O PHE A 112 -10.631 11.039 5.878 1.00 0.00 O ATOM 1676 CB PHE A 112 -8.158 10.490 3.790 1.00 0.00 C ATOM 1677 CG PHE A 112 -8.743 9.103 3.925 1.00 0.00 C ATOM 1678 CD1 PHE A 112 -10.115 8.870 3.719 1.00 0.00 C ATOM 1679 CD2 PHE A 112 -7.923 8.068 4.393 1.00 0.00 C ATOM 1680 CE1 PHE A 112 -10.676 7.624 4.039 1.00 0.00 C ATOM 1681 CE2 PHE A 112 -8.472 6.805 4.637 1.00 0.00 C ATOM 1682 CZ PHE A 112 -9.852 6.579 4.487 1.00 0.00 C ATOM 0 H PHE A 112 -8.872 10.134 6.627 1.00 0.00 H new ATOM 0 HA PHE A 112 -7.801 12.254 4.917 1.00 0.00 H new ATOM 0 HB2 PHE A 112 -8.585 10.977 2.913 1.00 0.00 H new ATOM 0 HB3 PHE A 112 -7.084 10.413 3.621 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -10.739 9.653 3.313 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -6.871 8.245 4.565 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -11.740 7.469 3.941 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -7.829 5.994 4.944 1.00 0.00 H new ATOM 0 HZ PHE A 112 -10.274 5.611 4.714 1.00 0.00 H new ATOM 1692 N THR A 113 -10.347 12.656 4.338 1.00 0.00 N ATOM 1693 CA THR A 113 -11.778 12.860 4.181 1.00 0.00 C ATOM 1694 C THR A 113 -12.290 11.879 3.123 1.00 0.00 C ATOM 1695 O THR A 113 -11.685 11.782 2.051 1.00 0.00 O ATOM 1696 CB THR A 113 -12.079 14.305 3.765 1.00 0.00 C ATOM 1697 OG1 THR A 113 -11.306 15.250 4.468 1.00 0.00 O ATOM 1698 CG2 THR A 113 -13.537 14.590 4.086 1.00 0.00 C ATOM 0 H THR A 113 -9.758 13.289 3.797 1.00 0.00 H new ATOM 0 HA THR A 113 -12.282 12.681 5.131 1.00 0.00 H new ATOM 0 HB THR A 113 -11.847 14.396 2.704 1.00 0.00 H new ATOM 0 HG1 THR A 113 -11.536 16.153 4.163 1.00 0.00 H new ATOM 0 HG21 THR A 113 -13.779 15.613 3.800 1.00 0.00 H new ATOM 0 HG22 THR A 113 -14.173 13.898 3.534 1.00 0.00 H new ATOM 0 HG23 THR A 113 -13.706 14.463 5.155 1.00 0.00 H new ATOM 1706 N ARG A 114 -13.395 11.166 3.366 1.00 0.00 N ATOM 1707 CA ARG A 114 -14.171 10.546 2.293 1.00 0.00 C ATOM 1708 C ARG A 114 -15.606 10.361 2.733 1.00 0.00 C ATOM 1709 O ARG A 114 -15.917 9.409 3.456 1.00 0.00 O ATOM 1710 CB ARG A 114 -13.545 9.217 1.815 1.00 0.00 C ATOM 1711 CG ARG A 114 -14.235 8.633 0.566 1.00 0.00 C ATOM 1712 CD ARG A 114 -14.331 9.670 -0.558 1.00 0.00 C ATOM 1713 NE ARG A 114 -14.536 9.076 -1.883 1.00 0.00 N ATOM 1714 CZ ARG A 114 -14.812 9.780 -2.985 1.00 0.00 C ATOM 1715 NH1 ARG A 114 -14.976 11.100 -2.919 1.00 0.00 N ATOM 1716 NH2 ARG A 114 -14.919 9.162 -4.153 1.00 0.00 N ATOM 0 H ARG A 114 -13.771 11.005 4.300 1.00 0.00 H new ATOM 0 HA ARG A 114 -14.155 11.217 1.434 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -12.489 9.378 1.596 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -13.595 8.488 2.624 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -13.679 7.764 0.214 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -15.234 8.287 0.829 1.00 0.00 H new ATOM 0 HD2 ARG A 114 -15.153 10.353 -0.343 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -13.418 10.265 -0.572 1.00 0.00 H new ATOM 0 HE ARG A 114 -14.463 8.062 -1.969 1.00 0.00 H new ATOM 0 HH11 ARG A 114 -14.891 11.580 -2.023 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -15.186 11.631 -3.764 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -14.791 8.152 -4.209 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -15.130 9.697 -4.996 1.00 0.00 H new ATOM 1730 N GLU A 115 -16.474 11.236 2.247 1.00 0.00 N ATOM 1731 CA GLU A 115 -17.898 11.041 2.378 1.00 0.00 C ATOM 1732 C GLU A 115 -18.259 10.016 1.311 1.00 0.00 C ATOM 1733 O GLU A 115 -18.227 10.279 0.102 1.00 0.00 O ATOM 1734 CB GLU A 115 -18.629 12.366 2.176 1.00 0.00 C ATOM 1735 CG GLU A 115 -20.159 12.200 2.218 1.00 0.00 C ATOM 1736 CD GLU A 115 -20.907 13.528 2.066 1.00 0.00 C ATOM 1737 OE1 GLU A 115 -20.304 14.530 1.612 1.00 0.00 O ATOM 1738 OE2 GLU A 115 -22.127 13.565 2.338 1.00 0.00 O ATOM 0 H GLU A 115 -16.208 12.090 1.757 1.00 0.00 H new ATOM 0 HA GLU A 115 -18.188 10.688 3.367 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -18.321 13.070 2.949 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -18.338 12.797 1.218 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -20.468 11.522 1.423 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -20.443 11.735 3.162 1.00 0.00 H new ATOM 1745 N GLY A 116 -18.500 8.808 1.785 1.00 0.00 N ATOM 1746 CA GLY A 116 -19.440 7.878 1.205 1.00 0.00 C ATOM 1747 C GLY A 116 -20.534 7.627 2.222 1.00 0.00 C ATOM 1748 O GLY A 116 -21.249 6.615 2.067 1.00 0.00 O ATOM 0 H GLY A 116 -18.030 8.439 2.611 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -19.860 8.284 0.285 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -18.941 6.945 0.943 1.00 0.00 H new TER 1752 GLY A 116