USER MOD reduce.3.24.130724 H: found=0, std=0, add=881, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 872 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 106 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Set 1.2: A 109 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 1 ASP N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= 0.0719 X(o=0.072,f=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= -0.313 K(o=-0.31,f=-2.3!) USER MOD Single : A 10 LYS NZ :NH3+ -162:sc= -0.05 (180deg=-0.38) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot -58:sc= 1.29 USER MOD Single : A 20 LYS NZ :NH3+ -177:sc= -0.45 (180deg=-0.458) USER MOD Single : A 21 GLN : amide:sc= -0.252 X(o=-0.25,f=0) USER MOD Single : A 27 ASN : amide:sc= -0.189 K(o=-0.19,f=-2.9!) USER MOD Single : A 30 THR OG1 : rot -55:sc= 1.22 USER MOD Single : A 33 MET CE :methyl -138:sc= -2.8! (180deg=-5.01!) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 5:sc= 0.925 USER MOD Single : A 39 ASN : amide:sc= -3.16 K(o=-3.2,f=-4!) USER MOD Single : A 41 GLN : amide:sc= -0.19 X(o=-0.19,f=-0.65) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 HIS : no HD1:sc= -3.9 X(o=-3.9,f=-4.4) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -2.77! C(o=-2.8!,f=-8!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 78:sc= -0.213 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN : amide:sc= -2.51 K(o=-2.5,f=-4.4!) USER MOD Single : A 96 SER OG : rot 180:sc= 0.00853 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 SER OG : rot -62:sc= 0.105 USER MOD Single : A 107 HIS : no HD1:sc=-0.00451 X(o=-0.0045,f=-0.19) USER MOD Single : A 108 HIS : no HD1:sc= 0 X(o=0,f=-0.047) USER MOD Single : A 110 HIS : no HD1:sc= -0.0958 X(o=-0.096,f=0) USER MOD Single : A 111 HIS :FLIP no HD1:sc= -0.119 F(o=-0.7,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 12.305 0.561 -16.614 1.00 14.51 N ATOM 2 CA ASP A 1 13.313 1.187 -17.462 1.00 21.43 C ATOM 3 C ASP A 1 14.118 0.133 -18.216 1.00 22.13 C ATOM 4 O ASP A 1 14.208 0.166 -19.444 1.00 21.02 O ATOM 5 CB ASP A 1 14.249 2.056 -16.621 1.00 1.31 C ATOM 6 CG ASP A 1 14.862 3.189 -17.421 1.00 71.32 C ATOM 7 OD1 ASP A 1 15.847 2.938 -18.147 1.00 22.34 O ATOM 8 OD2 ASP A 1 14.356 4.326 -17.323 1.00 34.12 O ATOM 0 H1 ASP A 1 11.769 1.297 -16.111 1.00 14.51 H new ATOM 0 H2 ASP A 1 11.655 0.001 -17.202 1.00 14.51 H new ATOM 0 H3 ASP A 1 12.771 -0.062 -15.923 1.00 14.51 H new ATOM 0 HA ASP A 1 12.801 1.817 -18.189 1.00 21.43 H new ATOM 0 HB2 ASP A 1 13.696 2.469 -15.777 1.00 1.31 H new ATOM 0 HB3 ASP A 1 15.044 1.435 -16.208 1.00 1.31 H new ATOM 13 N LEU A 2 14.703 -0.801 -17.473 1.00 40.41 N ATOM 14 CA LEU A 2 15.502 -1.864 -18.071 1.00 62.41 C ATOM 15 C LEU A 2 15.139 -3.220 -17.473 1.00 42.12 C ATOM 16 O LEU A 2 14.607 -3.300 -16.365 1.00 61.35 O ATOM 17 CB LEU A 2 16.992 -1.586 -17.866 1.00 64.42 C ATOM 18 CG LEU A 2 17.505 -1.699 -16.430 1.00 12.52 C ATOM 19 CD1 LEU A 2 18.963 -2.131 -16.415 1.00 74.24 C ATOM 20 CD2 LEU A 2 17.332 -0.376 -15.697 1.00 72.02 C ATOM 0 H LEU A 2 14.639 -0.843 -16.456 1.00 40.41 H new ATOM 0 HA LEU A 2 15.287 -1.889 -19.139 1.00 62.41 H new ATOM 0 HB2 LEU A 2 17.559 -2.278 -18.489 1.00 64.42 H new ATOM 0 HB3 LEU A 2 17.207 -0.581 -18.229 1.00 64.42 H new ATOM 0 HG LEU A 2 16.918 -2.458 -15.914 1.00 12.52 H new ATOM 0 HD11 LEU A 2 19.310 -2.206 -15.384 1.00 74.24 H new ATOM 0 HD12 LEU A 2 19.060 -3.101 -16.902 1.00 74.24 H new ATOM 0 HD13 LEU A 2 19.566 -1.396 -16.948 1.00 74.24 H new ATOM 0 HD21 LEU A 2 17.702 -0.474 -14.677 1.00 72.02 H new ATOM 0 HD22 LEU A 2 17.894 0.402 -16.213 1.00 72.02 H new ATOM 0 HD23 LEU A 2 16.276 -0.107 -15.675 1.00 72.02 H new ATOM 32 N THR A 3 15.432 -4.285 -18.213 1.00 23.00 N ATOM 33 CA THR A 3 15.138 -5.637 -17.756 1.00 60.31 C ATOM 34 C THR A 3 13.645 -5.821 -17.507 1.00 5.13 C ATOM 35 O THR A 3 13.241 -6.412 -16.505 1.00 42.51 O ATOM 36 CB THR A 3 15.908 -5.974 -16.465 1.00 71.12 C ATOM 37 OG1 THR A 3 17.210 -5.379 -16.502 1.00 13.44 O ATOM 38 CG2 THR A 3 16.038 -7.480 -16.290 1.00 2.41 C ATOM 0 H THR A 3 15.873 -4.237 -19.132 1.00 23.00 H new ATOM 0 HA THR A 3 15.458 -6.314 -18.548 1.00 60.31 H new ATOM 0 HB THR A 3 15.349 -5.573 -15.619 1.00 71.12 H new ATOM 0 HG1 THR A 3 17.693 -5.596 -15.677 1.00 13.44 H new ATOM 0 HG21 THR A 3 16.585 -7.694 -15.372 1.00 2.41 H new ATOM 0 HG22 THR A 3 15.045 -7.927 -16.233 1.00 2.41 H new ATOM 0 HG23 THR A 3 16.577 -7.900 -17.139 1.00 2.41 H new ATOM 46 N VAL A 4 12.830 -5.312 -18.424 1.00 53.54 N ATOM 47 CA VAL A 4 11.381 -5.421 -18.305 1.00 32.14 C ATOM 48 C VAL A 4 10.827 -6.463 -19.270 1.00 52.20 C ATOM 49 O VAL A 4 9.795 -7.081 -19.007 1.00 25.52 O ATOM 50 CB VAL A 4 10.692 -4.070 -18.573 1.00 74.15 C ATOM 51 CG1 VAL A 4 9.202 -4.163 -18.280 1.00 50.41 C ATOM 52 CG2 VAL A 4 11.339 -2.969 -17.747 1.00 53.34 C ATOM 0 H VAL A 4 13.148 -4.819 -19.259 1.00 53.54 H new ATOM 0 HA VAL A 4 11.170 -5.730 -17.281 1.00 32.14 H new ATOM 0 HB VAL A 4 10.815 -3.822 -19.627 1.00 74.15 H new ATOM 0 HG11 VAL A 4 8.732 -3.199 -18.475 1.00 50.41 H new ATOM 0 HG12 VAL A 4 8.752 -4.922 -18.920 1.00 50.41 H new ATOM 0 HG13 VAL A 4 9.053 -4.434 -17.235 1.00 50.41 H new ATOM 0 HG21 VAL A 4 10.840 -2.021 -17.949 1.00 53.34 H new ATOM 0 HG22 VAL A 4 11.249 -3.208 -16.687 1.00 53.34 H new ATOM 0 HG23 VAL A 4 12.393 -2.887 -18.012 1.00 53.34 H new ATOM 62 N ARG A 5 11.519 -6.652 -20.389 1.00 31.03 N ATOM 63 CA ARG A 5 11.096 -7.619 -21.395 1.00 13.14 C ATOM 64 C ARG A 5 11.160 -9.040 -20.844 1.00 25.35 C ATOM 65 O ARG A 5 12.236 -9.631 -20.752 1.00 31.45 O ATOM 66 CB ARG A 5 11.972 -7.504 -22.643 1.00 71.13 C ATOM 67 CG ARG A 5 11.684 -6.267 -23.478 1.00 1.33 C ATOM 68 CD ARG A 5 12.816 -5.976 -24.451 1.00 55.41 C ATOM 69 NE ARG A 5 12.746 -4.616 -24.981 1.00 33.51 N ATOM 70 CZ ARG A 5 13.753 -4.019 -25.608 1.00 23.35 C ATOM 71 NH1 ARG A 5 14.902 -4.658 -25.782 1.00 72.42 N ATOM 72 NH2 ARG A 5 13.613 -2.780 -26.061 1.00 60.34 N ATOM 0 H ARG A 5 12.375 -6.148 -20.622 1.00 31.03 H new ATOM 0 HA ARG A 5 10.063 -7.398 -21.663 1.00 13.14 H new ATOM 0 HB2 ARG A 5 13.019 -7.493 -22.341 1.00 71.13 H new ATOM 0 HB3 ARG A 5 11.828 -8.390 -23.261 1.00 71.13 H new ATOM 0 HG2 ARG A 5 10.755 -6.408 -24.030 1.00 1.33 H new ATOM 0 HG3 ARG A 5 11.538 -5.409 -22.821 1.00 1.33 H new ATOM 0 HD2 ARG A 5 13.772 -6.120 -23.948 1.00 55.41 H new ATOM 0 HD3 ARG A 5 12.778 -6.689 -25.275 1.00 55.41 H new ATOM 0 HE ARG A 5 11.876 -4.097 -24.863 1.00 33.51 H new ATOM 0 HH11 ARG A 5 15.014 -5.610 -25.434 1.00 72.42 H new ATOM 0 HH12 ARG A 5 15.674 -4.197 -26.264 1.00 72.42 H new ATOM 0 HH21 ARG A 5 12.731 -2.285 -25.928 1.00 60.34 H new ATOM 0 HH22 ARG A 5 14.387 -2.322 -26.542 1.00 60.34 H new ATOM 86 N GLN A 6 10.003 -9.581 -20.479 1.00 34.34 N ATOM 87 CA GLN A 6 9.929 -10.933 -19.936 1.00 12.54 C ATOM 88 C GLN A 6 9.701 -11.954 -21.045 1.00 43.54 C ATOM 89 O GLN A 6 8.646 -11.973 -21.679 1.00 40.14 O ATOM 90 CB GLN A 6 8.807 -11.028 -18.900 1.00 73.34 C ATOM 91 CG GLN A 6 8.980 -10.079 -17.725 1.00 62.55 C ATOM 92 CD GLN A 6 8.326 -10.594 -16.458 1.00 64.12 C ATOM 93 OE1 GLN A 6 9.007 -10.999 -15.515 1.00 71.13 O ATOM 94 NE2 GLN A 6 6.999 -10.581 -16.429 1.00 51.13 N ATOM 0 H GLN A 6 9.104 -9.105 -20.549 1.00 34.34 H new ATOM 0 HA GLN A 6 10.880 -11.156 -19.453 1.00 12.54 H new ATOM 0 HB2 GLN A 6 7.855 -10.819 -19.388 1.00 73.34 H new ATOM 0 HB3 GLN A 6 8.755 -12.050 -18.526 1.00 73.34 H new ATOM 0 HG2 GLN A 6 10.043 -9.922 -17.543 1.00 62.55 H new ATOM 0 HG3 GLN A 6 8.554 -9.109 -17.981 1.00 62.55 H new ATOM 0 HE21 GLN A 6 6.475 -10.237 -17.233 1.00 51.13 H new ATOM 0 HE22 GLN A 6 6.504 -10.915 -15.602 1.00 51.13 H new ATOM 103 N LYS A 7 10.698 -12.801 -21.276 1.00 61.21 N ATOM 104 CA LYS A 7 10.608 -13.827 -22.309 1.00 13.52 C ATOM 105 C LYS A 7 10.639 -15.222 -21.694 1.00 70.21 C ATOM 106 O LYS A 7 11.708 -15.786 -21.464 1.00 50.12 O ATOM 107 CB LYS A 7 11.755 -13.673 -23.311 1.00 35.15 C ATOM 108 CG LYS A 7 11.485 -14.337 -24.650 1.00 10.50 C ATOM 109 CD LYS A 7 10.720 -13.415 -25.585 1.00 44.41 C ATOM 110 CE LYS A 7 11.617 -12.322 -26.147 1.00 22.02 C ATOM 111 NZ LYS A 7 11.096 -11.784 -27.434 1.00 23.10 N ATOM 0 H LYS A 7 11.579 -12.797 -20.761 1.00 61.21 H new ATOM 0 HA LYS A 7 9.659 -13.700 -22.830 1.00 13.52 H new ATOM 0 HB2 LYS A 7 11.945 -12.612 -23.473 1.00 35.15 H new ATOM 0 HB3 LYS A 7 12.662 -14.097 -22.881 1.00 35.15 H new ATOM 0 HG2 LYS A 7 12.430 -14.623 -25.112 1.00 10.50 H new ATOM 0 HG3 LYS A 7 10.916 -15.253 -24.495 1.00 10.50 H new ATOM 0 HD2 LYS A 7 10.296 -13.996 -26.404 1.00 44.41 H new ATOM 0 HD3 LYS A 7 9.885 -12.963 -25.049 1.00 44.41 H new ATOM 0 HE2 LYS A 7 11.700 -11.512 -25.422 1.00 22.02 H new ATOM 0 HE3 LYS A 7 12.621 -12.718 -26.299 1.00 22.02 H new ATOM 0 HZ1 LYS A 7 11.735 -11.042 -27.784 1.00 23.10 H new ATOM 0 HZ2 LYS A 7 11.040 -12.551 -28.134 1.00 23.10 H new ATOM 0 HZ3 LYS A 7 10.148 -11.382 -27.284 1.00 23.10 H new ATOM 125 N GLY A 8 9.459 -15.775 -21.431 1.00 75.05 N ATOM 126 CA GLY A 8 9.374 -17.101 -20.847 1.00 52.23 C ATOM 127 C GLY A 8 9.020 -17.063 -19.374 1.00 20.52 C ATOM 128 O GLY A 8 9.816 -17.467 -18.527 1.00 61.12 O ATOM 0 H GLY A 8 8.560 -15.328 -21.612 1.00 75.05 H new ATOM 0 HA2 GLY A 8 8.625 -17.683 -21.383 1.00 52.23 H new ATOM 0 HA3 GLY A 8 10.328 -17.613 -20.975 1.00 52.23 H new ATOM 132 N ASN A 9 7.822 -16.576 -19.067 1.00 4.15 N ATOM 133 CA ASN A 9 7.366 -16.485 -17.684 1.00 73.14 C ATOM 134 C ASN A 9 5.868 -16.757 -17.588 1.00 34.05 C ATOM 135 O ASN A 9 5.185 -16.907 -18.601 1.00 65.35 O ATOM 136 CB ASN A 9 7.683 -15.103 -17.110 1.00 53.35 C ATOM 137 CG ASN A 9 7.971 -15.147 -15.622 1.00 42.13 C ATOM 138 OD1 ASN A 9 8.357 -16.185 -15.084 1.00 41.40 O ATOM 139 ND2 ASN A 9 7.784 -14.017 -14.950 1.00 24.11 N ATOM 0 H ASN A 9 7.150 -16.239 -19.756 1.00 4.15 H new ATOM 0 HA ASN A 9 7.893 -17.241 -17.102 1.00 73.14 H new ATOM 0 HB2 ASN A 9 8.544 -14.685 -17.632 1.00 53.35 H new ATOM 0 HB3 ASN A 9 6.842 -14.434 -17.295 1.00 53.35 H new ATOM 0 HD21 ASN A 9 7.961 -13.985 -13.946 1.00 24.11 H new ATOM 0 HD22 ASN A 9 7.463 -13.181 -15.438 1.00 24.11 H new ATOM 146 N LYS A 10 5.361 -16.819 -16.361 1.00 2.53 N ATOM 147 CA LYS A 10 3.944 -17.070 -16.129 1.00 72.22 C ATOM 148 C LYS A 10 3.081 -16.107 -16.938 1.00 10.33 C ATOM 149 O LYS A 10 3.561 -15.077 -17.413 1.00 33.31 O ATOM 150 CB LYS A 10 3.618 -16.937 -14.640 1.00 14.31 C ATOM 151 CG LYS A 10 4.001 -15.590 -14.052 1.00 13.23 C ATOM 152 CD LYS A 10 4.852 -15.748 -12.803 1.00 33.30 C ATOM 153 CE LYS A 10 4.059 -16.371 -11.664 1.00 24.41 C ATOM 154 NZ LYS A 10 2.875 -15.547 -11.296 1.00 72.24 N ATOM 0 H LYS A 10 5.912 -16.699 -15.511 1.00 2.53 H new ATOM 0 HA LYS A 10 3.723 -18.087 -16.453 1.00 72.22 H new ATOM 0 HB2 LYS A 10 2.550 -17.097 -14.495 1.00 14.31 H new ATOM 0 HB3 LYS A 10 4.136 -17.724 -14.092 1.00 14.31 H new ATOM 0 HG2 LYS A 10 4.548 -15.010 -14.795 1.00 13.23 H new ATOM 0 HG3 LYS A 10 3.099 -15.028 -13.810 1.00 13.23 H new ATOM 0 HD2 LYS A 10 5.718 -16.370 -13.028 1.00 33.30 H new ATOM 0 HD3 LYS A 10 5.231 -14.774 -12.494 1.00 33.30 H new ATOM 0 HE2 LYS A 10 3.731 -17.369 -11.954 1.00 24.41 H new ATOM 0 HE3 LYS A 10 4.705 -16.488 -10.794 1.00 24.41 H new ATOM 0 HZ1 LYS A 10 2.542 -15.821 -10.350 1.00 72.24 H new ATOM 0 HZ2 LYS A 10 3.140 -14.541 -11.292 1.00 72.24 H new ATOM 0 HZ3 LYS A 10 2.115 -15.702 -11.989 1.00 72.24 H new ATOM 168 N VAL A 11 1.805 -16.447 -17.089 1.00 52.40 N ATOM 169 CA VAL A 11 0.874 -15.610 -17.838 1.00 25.22 C ATOM 170 C VAL A 11 -0.437 -15.434 -17.081 1.00 52.21 C ATOM 171 O VAL A 11 -0.839 -16.301 -16.305 1.00 22.05 O ATOM 172 CB VAL A 11 0.577 -16.206 -19.227 1.00 1.03 C ATOM 173 CG1 VAL A 11 1.866 -16.406 -20.009 1.00 50.33 C ATOM 174 CG2 VAL A 11 -0.183 -17.517 -19.092 1.00 51.30 C ATOM 0 H VAL A 11 1.392 -17.296 -16.703 1.00 52.40 H new ATOM 0 HA VAL A 11 1.351 -14.638 -17.963 1.00 25.22 H new ATOM 0 HB VAL A 11 -0.049 -15.504 -19.778 1.00 1.03 H new ATOM 0 HG11 VAL A 11 1.636 -16.828 -20.987 1.00 50.33 H new ATOM 0 HG12 VAL A 11 2.367 -15.446 -20.136 1.00 50.33 H new ATOM 0 HG13 VAL A 11 2.520 -17.087 -19.465 1.00 50.33 H new ATOM 0 HG21 VAL A 11 -0.385 -17.924 -20.083 1.00 51.30 H new ATOM 0 HG22 VAL A 11 0.416 -18.228 -18.522 1.00 51.30 H new ATOM 0 HG23 VAL A 11 -1.125 -17.340 -18.574 1.00 51.30 H new ATOM 184 N ILE A 12 -1.101 -14.306 -17.313 1.00 63.32 N ATOM 185 CA ILE A 12 -2.368 -14.017 -16.654 1.00 74.15 C ATOM 186 C ILE A 12 -3.388 -13.463 -17.644 1.00 11.03 C ATOM 187 O ILE A 12 -3.107 -13.332 -18.835 1.00 63.42 O ATOM 188 CB ILE A 12 -2.188 -13.011 -15.503 1.00 3.51 C ATOM 189 CG1 ILE A 12 -1.392 -11.794 -15.980 1.00 52.21 C ATOM 190 CG2 ILE A 12 -1.493 -13.674 -14.323 1.00 75.51 C ATOM 191 CD1 ILE A 12 -1.493 -10.604 -15.052 1.00 13.31 C ATOM 0 H ILE A 12 -0.782 -13.578 -17.952 1.00 63.32 H new ATOM 0 HA ILE A 12 -2.734 -14.960 -16.247 1.00 74.15 H new ATOM 0 HB ILE A 12 -3.172 -12.674 -15.178 1.00 3.51 H new ATOM 0 HG12 ILE A 12 -0.344 -12.074 -16.085 1.00 52.21 H new ATOM 0 HG13 ILE A 12 -1.746 -11.504 -16.969 1.00 52.21 H new ATOM 0 HG21 ILE A 12 -1.373 -12.950 -13.517 1.00 75.51 H new ATOM 0 HG22 ILE A 12 -2.094 -14.512 -13.971 1.00 75.51 H new ATOM 0 HG23 ILE A 12 -0.513 -14.036 -14.634 1.00 75.51 H new ATOM 0 HD11 ILE A 12 -0.904 -9.779 -15.453 1.00 13.31 H new ATOM 0 HD12 ILE A 12 -2.535 -10.298 -14.965 1.00 13.31 H new ATOM 0 HD13 ILE A 12 -1.112 -10.877 -14.068 1.00 13.31 H new ATOM 203 N LYS A 13 -4.574 -13.136 -17.142 1.00 32.44 N ATOM 204 CA LYS A 13 -5.637 -12.593 -17.979 1.00 43.22 C ATOM 205 C LYS A 13 -6.162 -11.280 -17.408 1.00 3.51 C ATOM 206 O LYS A 13 -6.028 -10.995 -16.218 1.00 22.05 O ATOM 207 CB LYS A 13 -6.781 -13.601 -18.105 1.00 15.44 C ATOM 208 CG LYS A 13 -7.125 -14.297 -16.799 1.00 44.11 C ATOM 209 CD LYS A 13 -8.311 -15.233 -16.961 1.00 41.52 C ATOM 210 CE LYS A 13 -8.016 -16.339 -17.963 1.00 4.35 C ATOM 211 NZ LYS A 13 -9.010 -17.444 -17.878 1.00 11.25 N ATOM 0 H LYS A 13 -4.823 -13.238 -16.158 1.00 32.44 H new ATOM 0 HA LYS A 13 -5.223 -12.398 -18.968 1.00 43.22 H new ATOM 0 HB2 LYS A 13 -7.667 -13.087 -18.478 1.00 15.44 H new ATOM 0 HB3 LYS A 13 -6.512 -14.352 -18.848 1.00 15.44 H new ATOM 0 HG2 LYS A 13 -6.261 -14.861 -16.448 1.00 44.11 H new ATOM 0 HG3 LYS A 13 -7.350 -13.551 -16.037 1.00 44.11 H new ATOM 0 HD2 LYS A 13 -8.563 -15.673 -15.996 1.00 41.52 H new ATOM 0 HD3 LYS A 13 -9.181 -14.665 -17.290 1.00 41.52 H new ATOM 0 HE2 LYS A 13 -8.018 -15.925 -18.971 1.00 4.35 H new ATOM 0 HE3 LYS A 13 -7.017 -16.735 -17.783 1.00 4.35 H new ATOM 0 HZ1 LYS A 13 -8.774 -18.178 -18.576 1.00 11.25 H new ATOM 0 HZ2 LYS A 13 -8.990 -17.856 -16.923 1.00 11.25 H new ATOM 0 HZ3 LYS A 13 -9.961 -17.072 -18.075 1.00 11.25 H new ATOM 225 N PRO A 14 -6.775 -10.460 -18.274 1.00 52.42 N ATOM 226 CA PRO A 14 -7.335 -9.164 -17.877 1.00 45.04 C ATOM 227 C PRO A 14 -8.568 -9.311 -16.993 1.00 24.44 C ATOM 228 O PRO A 14 -9.175 -10.380 -16.932 1.00 35.32 O ATOM 229 CB PRO A 14 -7.709 -8.515 -19.212 1.00 63.34 C ATOM 230 CG PRO A 14 -7.928 -9.659 -20.141 1.00 74.40 C ATOM 231 CD PRO A 14 -6.970 -10.734 -19.708 1.00 34.44 C ATOM 0 HA PRO A 14 -6.630 -8.580 -17.286 1.00 45.04 H new ATOM 0 HB2 PRO A 14 -8.607 -7.904 -19.118 1.00 63.34 H new ATOM 0 HB3 PRO A 14 -6.914 -7.860 -19.570 1.00 63.34 H new ATOM 0 HG2 PRO A 14 -8.958 -10.011 -20.090 1.00 74.40 H new ATOM 0 HG3 PRO A 14 -7.742 -9.364 -21.174 1.00 74.40 H new ATOM 0 HD2 PRO A 14 -7.381 -11.730 -19.875 1.00 34.44 H new ATOM 0 HD3 PRO A 14 -6.031 -10.681 -20.259 1.00 34.44 H new ATOM 239 N ASP A 15 -8.932 -8.232 -16.309 1.00 22.31 N ATOM 240 CA ASP A 15 -10.094 -8.241 -15.428 1.00 71.32 C ATOM 241 C ASP A 15 -10.900 -6.955 -15.579 1.00 11.11 C ATOM 242 O ASP A 15 -10.540 -5.918 -15.023 1.00 54.31 O ATOM 243 CB ASP A 15 -9.657 -8.416 -13.973 1.00 63.21 C ATOM 244 CG ASP A 15 -10.716 -9.096 -13.128 1.00 23.40 C ATOM 245 OD1 ASP A 15 -11.841 -9.295 -13.633 1.00 22.23 O ATOM 246 OD2 ASP A 15 -10.419 -9.431 -11.962 1.00 52.11 O ATOM 0 H ASP A 15 -8.439 -7.340 -16.348 1.00 22.31 H new ATOM 0 HA ASP A 15 -10.728 -9.081 -15.712 1.00 71.32 H new ATOM 0 HB2 ASP A 15 -8.739 -9.002 -13.941 1.00 63.21 H new ATOM 0 HB3 ASP A 15 -9.427 -7.440 -13.546 1.00 63.21 H new ATOM 251 N GLU A 16 -11.991 -7.031 -16.335 1.00 61.00 N ATOM 252 CA GLU A 16 -12.846 -5.872 -16.560 1.00 11.41 C ATOM 253 C GLU A 16 -14.033 -5.877 -15.601 1.00 74.23 C ATOM 254 O GLU A 16 -15.085 -5.308 -15.893 1.00 55.54 O ATOM 255 CB GLU A 16 -13.345 -5.851 -18.006 1.00 44.44 C ATOM 256 CG GLU A 16 -14.146 -7.082 -18.392 1.00 32.51 C ATOM 257 CD GLU A 16 -15.181 -6.794 -19.463 1.00 5.15 C ATOM 258 OE1 GLU A 16 -15.203 -5.656 -19.975 1.00 41.34 O ATOM 259 OE2 GLU A 16 -15.968 -7.708 -19.788 1.00 3.55 O ATOM 0 H GLU A 16 -12.303 -7.883 -16.802 1.00 61.00 H new ATOM 0 HA GLU A 16 -12.255 -4.975 -16.374 1.00 11.41 H new ATOM 0 HB2 GLU A 16 -13.962 -4.965 -18.155 1.00 44.44 H new ATOM 0 HB3 GLU A 16 -12.489 -5.760 -18.675 1.00 44.44 H new ATOM 0 HG2 GLU A 16 -13.466 -7.856 -18.748 1.00 32.51 H new ATOM 0 HG3 GLU A 16 -14.645 -7.478 -17.507 1.00 32.51 H new ATOM 266 N THR A 17 -13.857 -6.526 -14.454 1.00 54.02 N ATOM 267 CA THR A 17 -14.913 -6.608 -13.453 1.00 31.21 C ATOM 268 C THR A 17 -14.497 -5.921 -12.158 1.00 11.44 C ATOM 269 O THR A 17 -15.342 -5.474 -11.382 1.00 32.03 O ATOM 270 CB THR A 17 -15.285 -8.071 -13.147 1.00 70.55 C ATOM 271 OG1 THR A 17 -14.161 -8.754 -12.580 1.00 75.33 O ATOM 272 CG2 THR A 17 -15.737 -8.790 -14.410 1.00 0.20 C ATOM 0 H THR A 17 -12.993 -7.002 -14.196 1.00 54.02 H new ATOM 0 HA THR A 17 -15.782 -6.099 -13.869 1.00 31.21 H new ATOM 0 HB THR A 17 -16.108 -8.072 -12.433 1.00 70.55 H new ATOM 0 HG1 THR A 17 -13.405 -8.712 -13.202 1.00 75.33 H new ATOM 0 HG21 THR A 17 -15.994 -9.821 -14.169 1.00 0.20 H new ATOM 0 HG22 THR A 17 -16.610 -8.285 -14.823 1.00 0.20 H new ATOM 0 HG23 THR A 17 -14.931 -8.779 -15.143 1.00 0.20 H new ATOM 280 N ARG A 18 -13.190 -5.838 -11.930 1.00 73.12 N ATOM 281 CA ARG A 18 -12.663 -5.205 -10.728 1.00 5.32 C ATOM 282 C ARG A 18 -12.997 -3.716 -10.706 1.00 31.11 C ATOM 283 O ARG A 18 -13.144 -3.118 -9.640 1.00 52.41 O ATOM 284 CB ARG A 18 -11.147 -5.399 -10.646 1.00 73.13 C ATOM 285 CG ARG A 18 -10.734 -6.817 -10.288 1.00 4.03 C ATOM 286 CD ARG A 18 -9.228 -7.002 -10.394 1.00 41.41 C ATOM 287 NE ARG A 18 -8.573 -6.918 -9.092 1.00 2.44 N ATOM 288 CZ ARG A 18 -7.255 -6.948 -8.929 1.00 22.45 C ATOM 289 NH1 ARG A 18 -6.456 -7.060 -9.981 1.00 22.34 N ATOM 290 NH2 ARG A 18 -6.734 -6.867 -7.711 1.00 3.30 N ATOM 0 H ARG A 18 -12.477 -6.201 -12.562 1.00 73.12 H new ATOM 0 HA ARG A 18 -13.131 -5.678 -9.864 1.00 5.32 H new ATOM 0 HB2 ARG A 18 -10.702 -5.131 -11.604 1.00 73.13 H new ATOM 0 HB3 ARG A 18 -10.741 -4.713 -9.903 1.00 73.13 H new ATOM 0 HG2 ARG A 18 -11.059 -7.047 -9.273 1.00 4.03 H new ATOM 0 HG3 ARG A 18 -11.236 -7.522 -10.951 1.00 4.03 H new ATOM 0 HD2 ARG A 18 -9.013 -7.970 -10.846 1.00 41.41 H new ATOM 0 HD3 ARG A 18 -8.815 -6.242 -11.057 1.00 41.41 H new ATOM 0 HE ARG A 18 -9.160 -6.832 -8.262 1.00 2.44 H new ATOM 0 HH11 ARG A 18 -6.853 -7.123 -10.918 1.00 22.34 H new ATOM 0 HH12 ARG A 18 -5.444 -7.083 -9.853 1.00 22.34 H new ATOM 0 HH21 ARG A 18 -7.346 -6.782 -6.899 1.00 3.30 H new ATOM 0 HH22 ARG A 18 -5.722 -6.890 -7.587 1.00 3.30 H new ATOM 304 N VAL A 19 -13.115 -3.124 -11.890 1.00 54.11 N ATOM 305 CA VAL A 19 -13.433 -1.706 -12.007 1.00 40.33 C ATOM 306 C VAL A 19 -13.823 -1.346 -13.437 1.00 34.35 C ATOM 307 O VAL A 19 -13.256 -1.867 -14.397 1.00 22.21 O ATOM 308 CB VAL A 19 -12.244 -0.827 -11.575 1.00 13.20 C ATOM 309 CG1 VAL A 19 -10.999 -1.181 -12.374 1.00 35.32 C ATOM 310 CG2 VAL A 19 -12.587 0.647 -11.732 1.00 71.04 C ATOM 0 H VAL A 19 -12.995 -3.604 -12.782 1.00 54.11 H new ATOM 0 HA VAL A 19 -14.277 -1.515 -11.344 1.00 40.33 H new ATOM 0 HB VAL A 19 -12.037 -1.019 -10.522 1.00 13.20 H new ATOM 0 HG11 VAL A 19 -10.170 -0.550 -12.055 1.00 35.32 H new ATOM 0 HG12 VAL A 19 -10.744 -2.227 -12.206 1.00 35.32 H new ATOM 0 HG13 VAL A 19 -11.190 -1.020 -13.435 1.00 35.32 H new ATOM 0 HG21 VAL A 19 -11.736 1.254 -11.422 1.00 71.04 H new ATOM 0 HG22 VAL A 19 -12.822 0.857 -12.776 1.00 71.04 H new ATOM 0 HG23 VAL A 19 -13.450 0.888 -11.111 1.00 71.04 H new ATOM 320 N LYS A 20 -14.796 -0.452 -13.571 1.00 14.41 N ATOM 321 CA LYS A 20 -15.263 -0.019 -14.883 1.00 33.41 C ATOM 322 C LYS A 20 -15.175 1.497 -15.019 1.00 42.34 C ATOM 323 O LYS A 20 -16.067 2.222 -14.579 1.00 23.53 O ATOM 324 CB LYS A 20 -16.705 -0.479 -15.111 1.00 61.40 C ATOM 325 CG LYS A 20 -16.953 -1.924 -14.712 1.00 1.31 C ATOM 326 CD LYS A 20 -17.384 -2.035 -13.259 1.00 51.41 C ATOM 327 CE LYS A 20 -18.311 -3.221 -13.042 1.00 14.51 C ATOM 328 NZ LYS A 20 -17.668 -4.506 -13.431 1.00 31.15 N ATOM 0 H LYS A 20 -15.277 -0.012 -12.786 1.00 14.41 H new ATOM 0 HA LYS A 20 -14.620 -0.472 -15.637 1.00 33.41 H new ATOM 0 HB2 LYS A 20 -17.377 0.166 -14.545 1.00 61.40 H new ATOM 0 HB3 LYS A 20 -16.955 -0.354 -16.164 1.00 61.40 H new ATOM 0 HG2 LYS A 20 -17.722 -2.353 -15.354 1.00 1.31 H new ATOM 0 HG3 LYS A 20 -16.045 -2.507 -14.869 1.00 1.31 H new ATOM 0 HD2 LYS A 20 -16.504 -2.139 -12.624 1.00 51.41 H new ATOM 0 HD3 LYS A 20 -17.889 -1.117 -12.957 1.00 51.41 H new ATOM 0 HE2 LYS A 20 -18.605 -3.265 -11.993 1.00 14.51 H new ATOM 0 HE3 LYS A 20 -19.222 -3.081 -13.623 1.00 14.51 H new ATOM 0 HZ1 LYS A 20 -18.349 -5.284 -13.316 1.00 31.15 H new ATOM 0 HZ2 LYS A 20 -17.364 -4.455 -14.424 1.00 31.15 H new ATOM 0 HZ3 LYS A 20 -16.841 -4.678 -12.824 1.00 31.15 H new ATOM 342 N GLN A 21 -14.095 1.970 -15.633 1.00 62.45 N ATOM 343 CA GLN A 21 -13.892 3.400 -15.828 1.00 43.31 C ATOM 344 C GLN A 21 -14.216 3.806 -17.262 1.00 62.01 C ATOM 345 O GLN A 21 -14.546 2.963 -18.097 1.00 43.41 O ATOM 346 CB GLN A 21 -12.450 3.783 -15.491 1.00 25.31 C ATOM 347 CG GLN A 21 -12.248 4.173 -14.036 1.00 0.04 C ATOM 348 CD GLN A 21 -10.787 4.363 -13.679 1.00 42.24 C ATOM 349 OE1 GLN A 21 -10.095 5.194 -14.269 1.00 12.22 O ATOM 350 NE2 GLN A 21 -10.308 3.592 -12.710 1.00 13.21 N ATOM 0 H GLN A 21 -13.347 1.383 -16.004 1.00 62.45 H new ATOM 0 HA GLN A 21 -14.568 3.931 -15.158 1.00 43.31 H new ATOM 0 HB2 GLN A 21 -11.795 2.944 -15.728 1.00 25.31 H new ATOM 0 HB3 GLN A 21 -12.146 4.614 -16.127 1.00 25.31 H new ATOM 0 HG2 GLN A 21 -12.791 5.096 -13.833 1.00 0.04 H new ATOM 0 HG3 GLN A 21 -12.677 3.403 -13.395 1.00 0.04 H new ATOM 0 HE21 GLN A 21 -10.917 2.917 -12.248 1.00 13.21 H new ATOM 0 HE22 GLN A 21 -9.331 3.675 -12.428 1.00 13.21 H new ATOM 359 N PHE A 22 -14.120 5.102 -17.541 1.00 72.32 N ATOM 360 CA PHE A 22 -14.405 5.620 -18.874 1.00 64.44 C ATOM 361 C PHE A 22 -13.196 5.455 -19.791 1.00 71.53 C ATOM 362 O PHE A 22 -13.336 5.119 -20.968 1.00 73.31 O ATOM 363 CB PHE A 22 -14.803 7.095 -18.797 1.00 44.03 C ATOM 364 CG PHE A 22 -14.855 7.773 -20.137 1.00 25.32 C ATOM 365 CD1 PHE A 22 -15.638 7.260 -21.158 1.00 32.43 C ATOM 366 CD2 PHE A 22 -14.119 8.923 -20.375 1.00 71.40 C ATOM 367 CE1 PHE A 22 -15.689 7.881 -22.391 1.00 65.03 C ATOM 368 CE2 PHE A 22 -14.166 9.548 -21.606 1.00 43.44 C ATOM 369 CZ PHE A 22 -14.950 9.026 -22.616 1.00 54.41 C ATOM 0 H PHE A 22 -13.847 5.812 -16.862 1.00 72.32 H new ATOM 0 HA PHE A 22 -15.235 5.048 -19.289 1.00 64.44 H new ATOM 0 HB2 PHE A 22 -15.780 7.175 -18.320 1.00 44.03 H new ATOM 0 HB3 PHE A 22 -14.093 7.622 -18.159 1.00 44.03 H new ATOM 0 HD1 PHE A 22 -16.216 6.363 -20.988 1.00 32.43 H new ATOM 0 HD2 PHE A 22 -13.502 9.335 -19.590 1.00 71.40 H new ATOM 0 HE1 PHE A 22 -16.306 7.472 -23.178 1.00 65.03 H new ATOM 0 HE2 PHE A 22 -13.590 10.445 -21.779 1.00 43.44 H new ATOM 0 HZ PHE A 22 -14.985 9.512 -23.580 1.00 54.41 H new ATOM 379 N LEU A 23 -12.009 5.693 -19.244 1.00 53.43 N ATOM 380 CA LEU A 23 -10.775 5.572 -20.012 1.00 3.11 C ATOM 381 C LEU A 23 -10.323 4.117 -20.090 1.00 4.42 C ATOM 382 O LEU A 23 -9.435 3.775 -20.870 1.00 60.20 O ATOM 383 CB LEU A 23 -9.674 6.427 -19.383 1.00 4.34 C ATOM 384 CG LEU A 23 -9.998 7.910 -19.199 1.00 2.20 C ATOM 385 CD1 LEU A 23 -10.783 8.436 -20.390 1.00 54.31 C ATOM 386 CD2 LEU A 23 -10.772 8.131 -17.908 1.00 31.14 C ATOM 0 H LEU A 23 -11.875 5.971 -18.272 1.00 53.43 H new ATOM 0 HA LEU A 23 -10.969 5.928 -21.024 1.00 3.11 H new ATOM 0 HB2 LEU A 23 -9.427 6.006 -18.408 1.00 4.34 H new ATOM 0 HB3 LEU A 23 -8.780 6.345 -20.001 1.00 4.34 H new ATOM 0 HG LEU A 23 -9.060 8.462 -19.135 1.00 2.20 H new ATOM 0 HD11 LEU A 23 -11.005 9.493 -20.242 1.00 54.31 H new ATOM 0 HD12 LEU A 23 -10.193 8.313 -21.298 1.00 54.31 H new ATOM 0 HD13 LEU A 23 -11.715 7.880 -20.486 1.00 54.31 H new ATOM 0 HD21 LEU A 23 -10.994 9.192 -17.794 1.00 31.14 H new ATOM 0 HD22 LEU A 23 -11.704 7.567 -17.942 1.00 31.14 H new ATOM 0 HD23 LEU A 23 -10.173 7.792 -17.062 1.00 31.14 H new ATOM 398 N GLU A 24 -10.941 3.266 -19.277 1.00 52.41 N ATOM 399 CA GLU A 24 -10.602 1.848 -19.256 1.00 15.22 C ATOM 400 C GLU A 24 -11.406 1.081 -20.302 1.00 13.22 C ATOM 401 O GLU A 24 -11.378 -0.148 -20.343 1.00 71.05 O ATOM 402 CB GLU A 24 -10.860 1.260 -17.867 1.00 11.42 C ATOM 403 CG GLU A 24 -9.651 1.318 -16.948 1.00 35.12 C ATOM 404 CD GLU A 24 -10.014 1.095 -15.492 1.00 51.14 C ATOM 405 OE1 GLU A 24 -10.960 0.324 -15.227 1.00 42.13 O ATOM 406 OE2 GLU A 24 -9.351 1.692 -14.618 1.00 52.23 O ATOM 0 H GLU A 24 -11.678 3.534 -18.625 1.00 52.41 H new ATOM 0 HA GLU A 24 -9.543 1.750 -19.493 1.00 15.22 H new ATOM 0 HB2 GLU A 24 -11.686 1.798 -17.402 1.00 11.42 H new ATOM 0 HB3 GLU A 24 -11.175 0.222 -17.974 1.00 11.42 H new ATOM 0 HG2 GLU A 24 -8.927 0.564 -17.258 1.00 35.12 H new ATOM 0 HG3 GLU A 24 -9.165 2.288 -17.053 1.00 35.12 H new ATOM 413 N GLY A 25 -12.123 1.817 -21.146 1.00 15.25 N ATOM 414 CA GLY A 25 -12.926 1.190 -22.180 1.00 3.24 C ATOM 415 C GLY A 25 -12.364 1.421 -23.569 1.00 33.34 C ATOM 416 O GLY A 25 -12.960 1.007 -24.563 1.00 61.25 O ATOM 0 H GLY A 25 -12.162 2.836 -21.132 1.00 15.25 H new ATOM 0 HA2 GLY A 25 -12.987 0.119 -21.989 1.00 3.24 H new ATOM 0 HA3 GLY A 25 -13.943 1.580 -22.133 1.00 3.24 H new ATOM 420 N PHE A 26 -11.215 2.085 -23.638 1.00 32.40 N ATOM 421 CA PHE A 26 -10.574 2.372 -24.916 1.00 13.11 C ATOM 422 C PHE A 26 -9.159 1.803 -24.955 1.00 1.33 C ATOM 423 O PHE A 26 -8.515 1.643 -23.919 1.00 64.12 O ATOM 424 CB PHE A 26 -10.536 3.882 -25.163 1.00 74.43 C ATOM 425 CG PHE A 26 -11.862 4.556 -24.958 1.00 14.35 C ATOM 426 CD1 PHE A 26 -12.918 4.316 -25.822 1.00 35.14 C ATOM 427 CD2 PHE A 26 -12.053 5.431 -23.900 1.00 44.42 C ATOM 428 CE1 PHE A 26 -14.140 4.935 -25.635 1.00 32.12 C ATOM 429 CE2 PHE A 26 -13.272 6.053 -23.708 1.00 70.22 C ATOM 430 CZ PHE A 26 -14.317 5.805 -24.577 1.00 43.32 C ATOM 0 H PHE A 26 -10.709 2.434 -22.824 1.00 32.40 H new ATOM 0 HA PHE A 26 -11.159 1.896 -25.703 1.00 13.11 H new ATOM 0 HB2 PHE A 26 -9.801 4.333 -24.496 1.00 74.43 H new ATOM 0 HB3 PHE A 26 -10.197 4.067 -26.182 1.00 74.43 H new ATOM 0 HD1 PHE A 26 -12.785 3.637 -26.652 1.00 35.14 H new ATOM 0 HD2 PHE A 26 -11.240 5.629 -23.218 1.00 44.42 H new ATOM 0 HE1 PHE A 26 -14.955 4.738 -26.315 1.00 32.12 H new ATOM 0 HE2 PHE A 26 -13.408 6.732 -22.879 1.00 70.22 H new ATOM 0 HZ PHE A 26 -15.270 6.290 -24.429 1.00 43.32 H new ATOM 440 N ASN A 27 -8.682 1.500 -26.158 1.00 35.32 N ATOM 441 CA ASN A 27 -7.344 0.947 -26.333 1.00 10.43 C ATOM 442 C ASN A 27 -6.280 1.958 -25.916 1.00 42.35 C ATOM 443 O ASN A 27 -6.416 3.156 -26.165 1.00 55.54 O ATOM 444 CB ASN A 27 -7.127 0.532 -27.789 1.00 53.53 C ATOM 445 CG ASN A 27 -7.434 -0.934 -28.025 1.00 12.15 C ATOM 446 OD1 ASN A 27 -8.234 -1.281 -28.894 1.00 13.54 O ATOM 447 ND2 ASN A 27 -6.798 -1.803 -27.248 1.00 65.34 N ATOM 0 H ASN A 27 -9.202 1.628 -27.026 1.00 35.32 H new ATOM 0 HA ASN A 27 -7.255 0.068 -25.695 1.00 10.43 H new ATOM 0 HB2 ASN A 27 -7.759 1.141 -28.435 1.00 53.53 H new ATOM 0 HB3 ASN A 27 -6.094 0.734 -28.071 1.00 53.53 H new ATOM 0 HD21 ASN A 27 -6.964 -2.803 -27.359 1.00 65.34 H new ATOM 0 HD22 ASN A 27 -6.143 -1.470 -26.540 1.00 65.34 H new ATOM 454 N ILE A 28 -5.221 1.467 -25.282 1.00 64.35 N ATOM 455 CA ILE A 28 -4.133 2.327 -24.834 1.00 24.45 C ATOM 456 C ILE A 28 -3.546 3.122 -25.995 1.00 24.23 C ATOM 457 O ILE A 28 -2.963 4.187 -25.797 1.00 43.45 O ATOM 458 CB ILE A 28 -3.010 1.511 -24.165 1.00 11.42 C ATOM 459 CG1 ILE A 28 -1.957 2.447 -23.567 1.00 71.13 C ATOM 460 CG2 ILE A 28 -2.374 0.562 -25.170 1.00 12.25 C ATOM 461 CD1 ILE A 28 -2.509 3.386 -22.518 1.00 52.52 C ATOM 0 H ILE A 28 -5.093 0.478 -25.067 1.00 64.35 H new ATOM 0 HA ILE A 28 -4.556 3.016 -24.103 1.00 24.45 H new ATOM 0 HB ILE A 28 -3.442 0.918 -23.359 1.00 11.42 H new ATOM 0 HG12 ILE A 28 -1.160 1.849 -23.124 1.00 71.13 H new ATOM 0 HG13 ILE A 28 -1.508 3.034 -24.368 1.00 71.13 H new ATOM 0 HG21 ILE A 28 -1.583 -0.007 -24.682 1.00 12.25 H new ATOM 0 HG22 ILE A 28 -3.131 -0.123 -25.553 1.00 12.25 H new ATOM 0 HG23 ILE A 28 -1.953 1.135 -25.996 1.00 12.25 H new ATOM 0 HD11 ILE A 28 -1.707 4.019 -22.138 1.00 52.52 H new ATOM 0 HD12 ILE A 28 -3.285 4.010 -22.961 1.00 52.52 H new ATOM 0 HD13 ILE A 28 -2.933 2.807 -21.698 1.00 52.52 H new ATOM 473 N GLU A 29 -3.705 2.597 -27.205 1.00 75.44 N ATOM 474 CA GLU A 29 -3.192 3.259 -28.399 1.00 23.14 C ATOM 475 C GLU A 29 -4.034 4.483 -28.747 1.00 20.22 C ATOM 476 O GLU A 29 -3.552 5.424 -29.379 1.00 33.31 O ATOM 477 CB GLU A 29 -3.172 2.287 -29.580 1.00 71.21 C ATOM 478 CG GLU A 29 -4.529 1.676 -29.888 1.00 63.21 C ATOM 479 CD GLU A 29 -4.819 1.620 -31.375 1.00 72.33 C ATOM 480 OE1 GLU A 29 -4.298 0.706 -32.048 1.00 40.22 O ATOM 481 OE2 GLU A 29 -5.569 2.490 -31.866 1.00 4.11 O ATOM 0 H GLU A 29 -4.185 1.715 -27.385 1.00 75.44 H new ATOM 0 HA GLU A 29 -2.174 3.587 -28.191 1.00 23.14 H new ATOM 0 HB2 GLU A 29 -2.809 2.811 -30.465 1.00 71.21 H new ATOM 0 HB3 GLU A 29 -2.462 1.487 -29.370 1.00 71.21 H new ATOM 0 HG2 GLU A 29 -4.572 0.668 -29.475 1.00 63.21 H new ATOM 0 HG3 GLU A 29 -5.306 2.257 -29.392 1.00 63.21 H new ATOM 488 N THR A 30 -5.296 4.463 -28.330 1.00 54.32 N ATOM 489 CA THR A 30 -6.207 5.569 -28.599 1.00 10.03 C ATOM 490 C THR A 30 -5.792 6.821 -27.835 1.00 44.20 C ATOM 491 O THR A 30 -6.212 7.930 -28.166 1.00 1.23 O ATOM 492 CB THR A 30 -7.656 5.208 -28.221 1.00 20.04 C ATOM 493 OG1 THR A 30 -7.815 5.245 -26.798 1.00 41.50 O ATOM 494 CG2 THR A 30 -8.023 3.826 -28.741 1.00 4.23 C ATOM 0 H THR A 30 -5.711 3.693 -27.805 1.00 54.32 H new ATOM 0 HA THR A 30 -6.157 5.766 -29.670 1.00 10.03 H new ATOM 0 HB THR A 30 -8.321 5.940 -28.680 1.00 20.04 H new ATOM 0 HG1 THR A 30 -7.152 4.657 -26.379 1.00 41.50 H new ATOM 0 HG21 THR A 30 -9.051 3.593 -28.462 1.00 4.23 H new ATOM 0 HG22 THR A 30 -7.929 3.809 -29.827 1.00 4.23 H new ATOM 0 HG23 THR A 30 -7.352 3.084 -28.307 1.00 4.23 H new ATOM 502 N PHE A 31 -4.963 6.637 -26.812 1.00 54.42 N ATOM 503 CA PHE A 31 -4.491 7.753 -26.001 1.00 0.22 C ATOM 504 C PHE A 31 -3.129 8.240 -26.486 1.00 42.22 C ATOM 505 O PHE A 31 -2.335 7.465 -27.018 1.00 21.01 O ATOM 506 CB PHE A 31 -4.403 7.341 -24.530 1.00 73.30 C ATOM 507 CG PHE A 31 -5.664 6.713 -24.007 1.00 63.13 C ATOM 508 CD1 PHE A 31 -6.904 7.154 -24.439 1.00 40.23 C ATOM 509 CD2 PHE A 31 -5.608 5.682 -23.083 1.00 71.24 C ATOM 510 CE1 PHE A 31 -8.066 6.578 -23.961 1.00 2.44 C ATOM 511 CE2 PHE A 31 -6.766 5.102 -22.602 1.00 34.14 C ATOM 512 CZ PHE A 31 -7.997 5.552 -23.040 1.00 22.43 C ATOM 0 H PHE A 31 -4.605 5.726 -26.525 1.00 54.42 H new ATOM 0 HA PHE A 31 -5.206 8.570 -26.101 1.00 0.22 H new ATOM 0 HB2 PHE A 31 -3.578 6.639 -24.406 1.00 73.30 H new ATOM 0 HB3 PHE A 31 -4.167 8.219 -23.928 1.00 73.30 H new ATOM 0 HD1 PHE A 31 -6.964 7.958 -25.158 1.00 40.23 H new ATOM 0 HD2 PHE A 31 -4.649 5.328 -22.735 1.00 71.24 H new ATOM 0 HE1 PHE A 31 -9.026 6.930 -24.308 1.00 2.44 H new ATOM 0 HE2 PHE A 31 -6.709 4.297 -21.884 1.00 34.14 H new ATOM 0 HZ PHE A 31 -8.903 5.102 -22.663 1.00 22.43 H new ATOM 522 N GLU A 32 -2.867 9.530 -26.299 1.00 51.23 N ATOM 523 CA GLU A 32 -1.602 10.121 -26.719 1.00 61.14 C ATOM 524 C GLU A 32 -1.076 11.088 -25.663 1.00 4.02 C ATOM 525 O GLU A 32 -1.785 11.994 -25.228 1.00 11.53 O ATOM 526 CB GLU A 32 -1.772 10.850 -28.054 1.00 60.40 C ATOM 527 CG GLU A 32 -2.210 9.942 -29.191 1.00 53.43 C ATOM 528 CD GLU A 32 -2.410 10.694 -30.493 1.00 73.21 C ATOM 529 OE1 GLU A 32 -3.249 11.618 -30.522 1.00 41.44 O ATOM 530 OE2 GLU A 32 -1.727 10.357 -31.483 1.00 32.31 O ATOM 0 H GLU A 32 -3.514 10.185 -25.860 1.00 51.23 H new ATOM 0 HA GLU A 32 -0.878 9.316 -26.842 1.00 61.14 H new ATOM 0 HB2 GLU A 32 -2.506 11.646 -27.933 1.00 60.40 H new ATOM 0 HB3 GLU A 32 -0.828 11.325 -28.322 1.00 60.40 H new ATOM 0 HG2 GLU A 32 -1.463 9.162 -29.337 1.00 53.43 H new ATOM 0 HG3 GLU A 32 -3.140 9.445 -28.916 1.00 53.43 H new ATOM 537 N MET A 33 0.173 10.887 -25.255 1.00 22.03 N ATOM 538 CA MET A 33 0.795 11.741 -24.250 1.00 2.33 C ATOM 539 C MET A 33 0.660 13.213 -24.628 1.00 61.20 C ATOM 540 O MET A 33 1.079 13.627 -25.709 1.00 52.11 O ATOM 541 CB MET A 33 2.272 11.379 -24.085 1.00 23.44 C ATOM 542 CG MET A 33 2.892 11.922 -22.807 1.00 63.44 C ATOM 543 SD MET A 33 3.589 13.571 -23.020 1.00 52.02 S ATOM 544 CE MET A 33 4.642 13.683 -21.575 1.00 74.15 C ATOM 0 H MET A 33 0.774 10.141 -25.605 1.00 22.03 H new ATOM 0 HA MET A 33 0.280 11.578 -23.303 1.00 2.33 H new ATOM 0 HB2 MET A 33 2.375 10.294 -24.097 1.00 23.44 H new ATOM 0 HB3 MET A 33 2.829 11.761 -24.940 1.00 23.44 H new ATOM 0 HG2 MET A 33 2.135 11.950 -22.024 1.00 63.44 H new ATOM 0 HG3 MET A 33 3.674 11.242 -22.470 1.00 63.44 H new ATOM 0 HE1 MET A 33 4.548 14.675 -21.132 1.00 74.15 H new ATOM 0 HE2 MET A 33 4.341 12.930 -20.846 1.00 74.15 H new ATOM 0 HE3 MET A 33 5.678 13.512 -21.866 1.00 74.15 H new ATOM 554 N VAL A 34 0.073 13.998 -23.731 1.00 55.41 N ATOM 555 CA VAL A 34 -0.117 15.424 -23.971 1.00 1.12 C ATOM 556 C VAL A 34 0.860 16.255 -23.146 1.00 62.43 C ATOM 557 O VAL A 34 1.182 17.387 -23.502 1.00 1.52 O ATOM 558 CB VAL A 34 -1.555 15.863 -23.638 1.00 12.04 C ATOM 559 CG1 VAL A 34 -1.867 15.603 -22.172 1.00 2.34 C ATOM 560 CG2 VAL A 34 -1.757 17.331 -23.982 1.00 71.22 C ATOM 0 H VAL A 34 -0.279 13.671 -22.831 1.00 55.41 H new ATOM 0 HA VAL A 34 0.070 15.594 -25.031 1.00 1.12 H new ATOM 0 HB VAL A 34 -2.245 15.274 -24.242 1.00 12.04 H new ATOM 0 HG11 VAL A 34 -2.887 15.920 -21.955 1.00 2.34 H new ATOM 0 HG12 VAL A 34 -1.765 14.538 -21.962 1.00 2.34 H new ATOM 0 HG13 VAL A 34 -1.173 16.165 -21.547 1.00 2.34 H new ATOM 0 HG21 VAL A 34 -2.779 17.624 -23.740 1.00 71.22 H new ATOM 0 HG22 VAL A 34 -1.059 17.939 -23.406 1.00 71.22 H new ATOM 0 HG23 VAL A 34 -1.578 17.483 -25.046 1.00 71.22 H new ATOM 570 N GLY A 35 1.330 15.682 -22.042 1.00 12.22 N ATOM 571 CA GLY A 35 2.266 16.384 -21.183 1.00 63.24 C ATOM 572 C GLY A 35 2.444 15.703 -19.841 1.00 0.12 C ATOM 573 O GLY A 35 1.958 14.591 -19.630 1.00 3.20 O ATOM 0 H GLY A 35 1.079 14.745 -21.727 1.00 12.22 H new ATOM 0 HA2 GLY A 35 3.232 16.453 -21.683 1.00 63.24 H new ATOM 0 HA3 GLY A 35 1.915 17.404 -21.026 1.00 63.24 H new ATOM 577 N THR A 36 3.144 16.370 -18.929 1.00 1.44 N ATOM 578 CA THR A 36 3.388 15.822 -17.600 1.00 54.14 C ATOM 579 C THR A 36 3.409 16.923 -16.546 1.00 41.35 C ATOM 580 O THR A 36 3.574 18.101 -16.868 1.00 14.05 O ATOM 581 CB THR A 36 4.719 15.050 -17.547 1.00 23.12 C ATOM 582 OG1 THR A 36 5.730 15.765 -18.267 1.00 75.10 O ATOM 583 CG2 THR A 36 4.561 13.656 -18.135 1.00 35.00 C ATOM 0 H THR A 36 3.552 17.291 -19.086 1.00 1.44 H new ATOM 0 HA THR A 36 2.569 15.135 -17.386 1.00 54.14 H new ATOM 0 HB THR A 36 5.016 14.955 -16.503 1.00 23.12 H new ATOM 0 HG1 THR A 36 6.574 15.268 -18.227 1.00 75.10 H new ATOM 0 HG21 THR A 36 5.515 13.130 -18.086 1.00 35.00 H new ATOM 0 HG22 THR A 36 3.813 13.104 -17.566 1.00 35.00 H new ATOM 0 HG23 THR A 36 4.242 13.734 -19.174 1.00 35.00 H new ATOM 591 N LEU A 37 3.243 16.534 -15.287 1.00 74.14 N ATOM 592 CA LEU A 37 3.244 17.489 -14.185 1.00 32.14 C ATOM 593 C LEU A 37 4.304 17.125 -13.150 1.00 33.30 C ATOM 594 O LEU A 37 4.511 15.950 -12.846 1.00 43.03 O ATOM 595 CB LEU A 37 1.865 17.537 -13.524 1.00 30.31 C ATOM 596 CG LEU A 37 1.637 18.674 -12.528 1.00 1.12 C ATOM 597 CD1 LEU A 37 2.308 18.362 -11.199 1.00 12.41 C ATOM 598 CD2 LEU A 37 2.154 19.989 -13.093 1.00 11.34 C ATOM 0 H LEU A 37 3.106 15.564 -15.004 1.00 74.14 H new ATOM 0 HA LEU A 37 3.480 18.473 -14.590 1.00 32.14 H new ATOM 0 HB2 LEU A 37 1.111 17.611 -14.308 1.00 30.31 H new ATOM 0 HB3 LEU A 37 1.698 16.591 -13.009 1.00 30.31 H new ATOM 0 HG LEU A 37 0.565 18.772 -12.356 1.00 1.12 H new ATOM 0 HD11 LEU A 37 2.135 19.182 -10.503 1.00 12.41 H new ATOM 0 HD12 LEU A 37 1.891 17.443 -10.788 1.00 12.41 H new ATOM 0 HD13 LEU A 37 3.380 18.237 -11.353 1.00 12.41 H new ATOM 0 HD21 LEU A 37 1.983 20.787 -12.371 1.00 11.34 H new ATOM 0 HD22 LEU A 37 3.222 19.904 -13.294 1.00 11.34 H new ATOM 0 HD23 LEU A 37 1.627 20.219 -14.019 1.00 11.34 H new ATOM 610 N SER A 38 4.970 18.140 -12.610 1.00 43.35 N ATOM 611 CA SER A 38 6.010 17.927 -11.611 1.00 1.14 C ATOM 612 C SER A 38 5.990 19.034 -10.561 1.00 51.53 C ATOM 613 O SER A 38 6.258 20.196 -10.864 1.00 52.31 O ATOM 614 CB SER A 38 7.385 17.867 -12.279 1.00 1.13 C ATOM 615 OG SER A 38 7.811 19.156 -12.686 1.00 20.04 O ATOM 0 H SER A 38 4.808 19.119 -12.848 1.00 43.35 H new ATOM 0 HA SER A 38 5.813 16.976 -11.115 1.00 1.14 H new ATOM 0 HB2 SER A 38 8.111 17.443 -11.586 1.00 1.13 H new ATOM 0 HB3 SER A 38 7.344 17.204 -13.143 1.00 1.13 H new ATOM 0 HG SER A 38 7.168 19.827 -12.375 1.00 20.04 H new ATOM 621 N ASN A 39 5.670 18.664 -9.326 1.00 12.34 N ATOM 622 CA ASN A 39 5.614 19.625 -8.230 1.00 54.41 C ATOM 623 C ASN A 39 5.832 18.934 -6.888 1.00 24.11 C ATOM 624 O ASN A 39 6.196 17.759 -6.835 1.00 52.43 O ATOM 625 CB ASN A 39 4.266 20.351 -8.229 1.00 64.21 C ATOM 626 CG ASN A 39 3.147 19.490 -7.676 1.00 52.22 C ATOM 627 OD1 ASN A 39 2.428 19.898 -6.764 1.00 1.23 O ATOM 628 ND2 ASN A 39 2.994 18.292 -8.228 1.00 22.01 N ATOM 0 H ASN A 39 5.445 17.706 -9.058 1.00 12.34 H new ATOM 0 HA ASN A 39 6.412 20.353 -8.378 1.00 54.41 H new ATOM 0 HB2 ASN A 39 4.347 21.262 -7.636 1.00 64.21 H new ATOM 0 HB3 ASN A 39 4.019 20.654 -9.246 1.00 64.21 H new ATOM 0 HD21 ASN A 39 2.257 17.669 -7.898 1.00 22.01 H new ATOM 0 HD22 ASN A 39 3.613 17.995 -8.982 1.00 22.01 H new ATOM 635 N ALA A 40 5.608 19.671 -5.805 1.00 51.11 N ATOM 636 CA ALA A 40 5.778 19.129 -4.463 1.00 32.41 C ATOM 637 C ALA A 40 5.009 17.822 -4.298 1.00 23.13 C ATOM 638 O ALA A 40 5.474 16.899 -3.629 1.00 51.11 O ATOM 639 CB ALA A 40 5.327 20.143 -3.423 1.00 2.34 C ATOM 0 H ALA A 40 5.308 20.646 -5.831 1.00 51.11 H new ATOM 0 HA ALA A 40 6.837 18.919 -4.314 1.00 32.41 H new ATOM 0 HB1 ALA A 40 5.460 19.724 -2.425 1.00 2.34 H new ATOM 0 HB2 ALA A 40 5.923 21.051 -3.518 1.00 2.34 H new ATOM 0 HB3 ALA A 40 4.275 20.381 -3.579 1.00 2.34 H new ATOM 645 N GLN A 41 3.832 17.752 -4.910 1.00 71.43 N ATOM 646 CA GLN A 41 2.999 16.558 -4.829 1.00 21.50 C ATOM 647 C GLN A 41 3.701 15.360 -5.461 1.00 1.12 C ATOM 648 O GLN A 41 3.524 14.223 -5.025 1.00 41.23 O ATOM 649 CB GLN A 41 1.656 16.799 -5.520 1.00 13.03 C ATOM 650 CG GLN A 41 0.472 16.800 -4.565 1.00 64.44 C ATOM 651 CD GLN A 41 0.377 15.523 -3.753 1.00 4.43 C ATOM 652 OE1 GLN A 41 0.672 14.435 -4.248 1.00 14.11 O ATOM 653 NE2 GLN A 41 -0.035 15.650 -2.497 1.00 11.21 N ATOM 0 H GLN A 41 3.433 18.508 -5.467 1.00 71.43 H new ATOM 0 HA GLN A 41 2.824 16.339 -3.776 1.00 21.50 H new ATOM 0 HB2 GLN A 41 1.692 17.755 -6.042 1.00 13.03 H new ATOM 0 HB3 GLN A 41 1.502 16.029 -6.276 1.00 13.03 H new ATOM 0 HG2 GLN A 41 0.556 17.651 -3.889 1.00 64.44 H new ATOM 0 HG3 GLN A 41 -0.448 16.934 -5.133 1.00 64.44 H new ATOM 0 HE21 GLN A 41 -0.269 16.572 -2.128 1.00 11.21 H new ATOM 0 HE22 GLN A 41 -0.117 14.826 -1.901 1.00 11.21 H new ATOM 662 N GLY A 42 4.499 15.624 -6.491 1.00 71.24 N ATOM 663 CA GLY A 42 5.215 14.558 -7.167 1.00 22.32 C ATOM 664 C GLY A 42 5.183 14.703 -8.675 1.00 61.34 C ATOM 665 O GLY A 42 4.946 15.793 -9.198 1.00 23.54 O ATOM 0 H GLY A 42 4.662 16.557 -6.869 1.00 71.24 H new ATOM 0 HA2 GLY A 42 6.251 14.549 -6.828 1.00 22.32 H new ATOM 0 HA3 GLY A 42 4.780 13.598 -6.888 1.00 22.32 H new ATOM 669 N THR A 43 5.424 13.601 -9.380 1.00 12.04 N ATOM 670 CA THR A 43 5.424 13.610 -10.837 1.00 3.40 C ATOM 671 C THR A 43 4.225 12.850 -11.392 1.00 43.32 C ATOM 672 O THR A 43 4.087 11.646 -11.176 1.00 53.21 O ATOM 673 CB THR A 43 6.717 12.992 -11.402 1.00 73.43 C ATOM 674 OG1 THR A 43 7.805 13.222 -10.501 1.00 2.11 O ATOM 675 CG2 THR A 43 7.047 13.580 -12.766 1.00 2.14 C ATOM 0 H THR A 43 5.622 12.691 -8.964 1.00 12.04 H new ATOM 0 HA THR A 43 5.363 14.653 -11.147 1.00 3.40 H new ATOM 0 HB THR A 43 6.561 11.919 -11.515 1.00 73.43 H new ATOM 0 HG1 THR A 43 8.623 12.824 -10.867 1.00 2.11 H new ATOM 0 HG21 THR A 43 7.964 13.128 -13.145 1.00 2.14 H new ATOM 0 HG22 THR A 43 6.230 13.376 -13.458 1.00 2.14 H new ATOM 0 HG23 THR A 43 7.184 14.657 -12.674 1.00 2.14 H new ATOM 683 N PHE A 44 3.361 13.560 -12.109 1.00 52.53 N ATOM 684 CA PHE A 44 2.172 12.952 -12.696 1.00 4.12 C ATOM 685 C PHE A 44 2.273 12.919 -14.218 1.00 64.30 C ATOM 686 O PHE A 44 3.109 13.601 -14.810 1.00 54.24 O ATOM 687 CB PHE A 44 0.919 13.721 -12.273 1.00 74.34 C ATOM 688 CG PHE A 44 0.789 13.885 -10.786 1.00 43.50 C ATOM 689 CD1 PHE A 44 1.487 14.882 -10.123 1.00 23.11 C ATOM 690 CD2 PHE A 44 -0.031 13.044 -10.051 1.00 43.42 C ATOM 691 CE1 PHE A 44 1.371 15.035 -8.754 1.00 74.03 C ATOM 692 CE2 PHE A 44 -0.152 13.193 -8.682 1.00 43.04 C ATOM 693 CZ PHE A 44 0.549 14.190 -8.033 1.00 42.43 C ATOM 0 H PHE A 44 3.461 14.557 -12.298 1.00 52.53 H new ATOM 0 HA PHE A 44 2.101 11.927 -12.332 1.00 4.12 H new ATOM 0 HB2 PHE A 44 0.933 14.706 -12.739 1.00 74.34 H new ATOM 0 HB3 PHE A 44 0.039 13.201 -12.651 1.00 74.34 H new ATOM 0 HD1 PHE A 44 2.129 15.547 -10.682 1.00 23.11 H new ATOM 0 HD2 PHE A 44 -0.582 12.263 -10.554 1.00 43.42 H new ATOM 0 HE1 PHE A 44 1.922 15.814 -8.249 1.00 74.03 H new ATOM 0 HE2 PHE A 44 -0.794 12.530 -8.121 1.00 43.04 H new ATOM 0 HZ PHE A 44 0.455 14.309 -6.964 1.00 42.43 H new ATOM 703 N ALA A 45 1.416 12.119 -14.844 1.00 44.15 N ATOM 704 CA ALA A 45 1.407 11.997 -16.297 1.00 4.00 C ATOM 705 C ALA A 45 0.103 12.526 -16.884 1.00 62.32 C ATOM 706 O ALA A 45 -0.983 12.203 -16.401 1.00 50.03 O ATOM 707 CB ALA A 45 1.623 10.548 -16.706 1.00 64.41 C ATOM 0 H ALA A 45 0.719 11.546 -14.368 1.00 44.15 H new ATOM 0 HA ALA A 45 2.224 12.600 -16.693 1.00 4.00 H new ATOM 0 HB1 ALA A 45 1.614 10.472 -17.793 1.00 64.41 H new ATOM 0 HB2 ALA A 45 2.584 10.202 -16.326 1.00 64.41 H new ATOM 0 HB3 ALA A 45 0.826 9.930 -16.292 1.00 64.41 H new ATOM 713 N LEU A 46 0.217 13.340 -17.928 1.00 30.13 N ATOM 714 CA LEU A 46 -0.954 13.914 -18.581 1.00 40.51 C ATOM 715 C LEU A 46 -1.122 13.353 -19.989 1.00 73.22 C ATOM 716 O LEU A 46 -0.277 13.564 -20.859 1.00 3.44 O ATOM 717 CB LEU A 46 -0.834 15.438 -18.638 1.00 40.45 C ATOM 718 CG LEU A 46 -0.320 16.119 -17.370 1.00 12.55 C ATOM 719 CD1 LEU A 46 -0.356 17.632 -17.524 1.00 2.03 C ATOM 720 CD2 LEU A 46 -1.139 15.685 -16.162 1.00 44.24 C ATOM 0 H LEU A 46 1.108 13.617 -18.340 1.00 30.13 H new ATOM 0 HA LEU A 46 -1.834 13.646 -17.996 1.00 40.51 H new ATOM 0 HB2 LEU A 46 -0.169 15.699 -19.461 1.00 40.45 H new ATOM 0 HB3 LEU A 46 -1.814 15.851 -18.876 1.00 40.45 H new ATOM 0 HG LEU A 46 0.715 15.815 -17.212 1.00 12.55 H new ATOM 0 HD11 LEU A 46 0.014 18.100 -16.611 1.00 2.03 H new ATOM 0 HD12 LEU A 46 0.273 17.927 -18.364 1.00 2.03 H new ATOM 0 HD13 LEU A 46 -1.381 17.955 -17.708 1.00 2.03 H new ATOM 0 HD21 LEU A 46 -0.759 16.180 -15.268 1.00 44.24 H new ATOM 0 HD22 LEU A 46 -2.183 15.960 -16.313 1.00 44.24 H new ATOM 0 HD23 LEU A 46 -1.062 14.605 -16.039 1.00 44.24 H new ATOM 732 N VAL A 47 -2.221 12.637 -20.208 1.00 50.40 N ATOM 733 CA VAL A 47 -2.503 12.048 -21.512 1.00 25.04 C ATOM 734 C VAL A 47 -3.805 12.589 -22.090 1.00 13.14 C ATOM 735 O VAL A 47 -4.664 13.083 -21.359 1.00 34.23 O ATOM 736 CB VAL A 47 -2.590 10.513 -21.426 1.00 73.41 C ATOM 737 CG1 VAL A 47 -3.862 10.089 -20.707 1.00 10.40 C ATOM 738 CG2 VAL A 47 -2.524 9.897 -22.816 1.00 1.51 C ATOM 0 H VAL A 47 -2.930 12.451 -19.499 1.00 50.40 H new ATOM 0 HA VAL A 47 -1.677 12.322 -22.169 1.00 25.04 H new ATOM 0 HB VAL A 47 -1.738 10.150 -20.851 1.00 73.41 H new ATOM 0 HG11 VAL A 47 -3.906 9.001 -20.656 1.00 10.40 H new ATOM 0 HG12 VAL A 47 -3.863 10.500 -19.697 1.00 10.40 H new ATOM 0 HG13 VAL A 47 -4.729 10.462 -21.252 1.00 10.40 H new ATOM 0 HG21 VAL A 47 -2.587 8.812 -22.736 1.00 1.51 H new ATOM 0 HG22 VAL A 47 -3.355 10.265 -23.417 1.00 1.51 H new ATOM 0 HG23 VAL A 47 -1.583 10.172 -23.292 1.00 1.51 H new ATOM 748 N LYS A 48 -3.947 12.493 -23.407 1.00 65.23 N ATOM 749 CA LYS A 48 -5.145 12.971 -24.086 1.00 34.33 C ATOM 750 C LYS A 48 -5.721 11.892 -24.998 1.00 21.02 C ATOM 751 O LYS A 48 -4.981 11.166 -25.661 1.00 0.25 O ATOM 752 CB LYS A 48 -4.829 14.227 -24.900 1.00 61.25 C ATOM 753 CG LYS A 48 -6.063 14.934 -25.432 1.00 15.32 C ATOM 754 CD LYS A 48 -5.697 16.031 -26.418 1.00 22.22 C ATOM 755 CE LYS A 48 -6.928 16.786 -26.895 1.00 1.04 C ATOM 756 NZ LYS A 48 -6.580 18.131 -27.431 1.00 73.02 N ATOM 0 H LYS A 48 -3.246 12.088 -24.027 1.00 65.23 H new ATOM 0 HA LYS A 48 -5.889 13.216 -23.327 1.00 34.33 H new ATOM 0 HB2 LYS A 48 -4.264 14.920 -24.277 1.00 61.25 H new ATOM 0 HB3 LYS A 48 -4.187 13.955 -25.738 1.00 61.25 H new ATOM 0 HG2 LYS A 48 -6.717 14.210 -25.918 1.00 15.32 H new ATOM 0 HG3 LYS A 48 -6.624 15.363 -24.602 1.00 15.32 H new ATOM 0 HD2 LYS A 48 -5.002 16.727 -25.948 1.00 22.22 H new ATOM 0 HD3 LYS A 48 -5.182 15.595 -27.274 1.00 22.22 H new ATOM 0 HE2 LYS A 48 -7.433 16.206 -27.668 1.00 1.04 H new ATOM 0 HE3 LYS A 48 -7.630 16.895 -26.069 1.00 1.04 H new ATOM 0 HZ1 LYS A 48 -7.446 18.614 -27.746 1.00 73.02 H new ATOM 0 HZ2 LYS A 48 -6.121 18.693 -26.686 1.00 73.02 H new ATOM 0 HZ3 LYS A 48 -5.930 18.026 -28.236 1.00 73.02 H new ATOM 770 N GLY A 49 -7.047 11.794 -25.028 1.00 24.45 N ATOM 771 CA GLY A 49 -7.698 10.802 -25.863 1.00 33.22 C ATOM 772 C GLY A 49 -9.166 10.633 -25.524 1.00 72.05 C ATOM 773 O GLY A 49 -9.703 11.353 -24.683 1.00 23.32 O ATOM 0 H GLY A 49 -7.681 12.384 -24.489 1.00 24.45 H new ATOM 0 HA2 GLY A 49 -7.601 11.092 -26.909 1.00 33.22 H new ATOM 0 HA3 GLY A 49 -7.189 9.845 -25.749 1.00 33.22 H new ATOM 777 N ALA A 50 -9.818 9.680 -26.183 1.00 42.21 N ATOM 778 CA ALA A 50 -11.232 9.419 -25.947 1.00 53.12 C ATOM 779 C ALA A 50 -12.047 10.706 -26.016 1.00 51.22 C ATOM 780 O ALA A 50 -13.080 10.835 -25.360 1.00 61.51 O ATOM 781 CB ALA A 50 -11.426 8.741 -24.599 1.00 32.00 C ATOM 0 H ALA A 50 -9.389 9.076 -26.884 1.00 42.21 H new ATOM 0 HA ALA A 50 -11.588 8.752 -26.732 1.00 53.12 H new ATOM 0 HB1 ALA A 50 -12.487 8.552 -24.436 1.00 32.00 H new ATOM 0 HB2 ALA A 50 -10.883 7.796 -24.586 1.00 32.00 H new ATOM 0 HB3 ALA A 50 -11.047 9.388 -23.808 1.00 32.00 H new ATOM 787 N GLY A 51 -11.575 11.658 -26.815 1.00 42.32 N ATOM 788 CA GLY A 51 -12.272 12.924 -26.954 1.00 62.40 C ATOM 789 C GLY A 51 -12.177 13.778 -25.706 1.00 23.04 C ATOM 790 O GLY A 51 -13.125 14.475 -25.348 1.00 74.11 O ATOM 0 H GLY A 51 -10.722 11.575 -27.369 1.00 42.32 H new ATOM 0 HA2 GLY A 51 -11.856 13.473 -27.799 1.00 62.40 H new ATOM 0 HA3 GLY A 51 -13.321 12.735 -27.182 1.00 62.40 H new ATOM 794 N GLY A 52 -11.028 13.723 -25.039 1.00 3.23 N ATOM 795 CA GLY A 52 -10.834 14.501 -23.829 1.00 52.31 C ATOM 796 C GLY A 52 -9.436 14.355 -23.263 1.00 44.11 C ATOM 797 O GLY A 52 -8.547 13.810 -23.918 1.00 20.44 O ATOM 0 H GLY A 52 -10.228 13.154 -25.315 1.00 3.23 H new ATOM 0 HA2 GLY A 52 -11.028 15.552 -24.042 1.00 52.31 H new ATOM 0 HA3 GLY A 52 -11.561 14.188 -23.079 1.00 52.31 H new ATOM 801 N VAL A 53 -9.238 14.845 -22.043 1.00 52.13 N ATOM 802 CA VAL A 53 -7.937 14.767 -21.389 1.00 54.03 C ATOM 803 C VAL A 53 -8.008 13.918 -20.125 1.00 70.01 C ATOM 804 O VAL A 53 -8.964 14.011 -19.354 1.00 4.51 O ATOM 805 CB VAL A 53 -7.407 16.167 -21.026 1.00 31.44 C ATOM 806 CG1 VAL A 53 -6.848 16.863 -22.257 1.00 75.22 C ATOM 807 CG2 VAL A 53 -8.505 17.001 -20.383 1.00 44.30 C ATOM 0 H VAL A 53 -9.962 15.300 -21.488 1.00 52.13 H new ATOM 0 HA VAL A 53 -7.253 14.301 -22.098 1.00 54.03 H new ATOM 0 HB VAL A 53 -6.598 16.055 -20.304 1.00 31.44 H new ATOM 0 HG11 VAL A 53 -6.479 17.850 -21.980 1.00 75.22 H new ATOM 0 HG12 VAL A 53 -6.030 16.272 -22.669 1.00 75.22 H new ATOM 0 HG13 VAL A 53 -7.634 16.966 -23.005 1.00 75.22 H new ATOM 0 HG21 VAL A 53 -8.114 17.987 -20.133 1.00 44.30 H new ATOM 0 HG22 VAL A 53 -9.337 17.107 -21.080 1.00 44.30 H new ATOM 0 HG23 VAL A 53 -8.852 16.508 -19.475 1.00 44.30 H new ATOM 817 N HIS A 54 -6.990 13.089 -19.918 1.00 4.23 N ATOM 818 CA HIS A 54 -6.935 12.223 -18.745 1.00 52.23 C ATOM 819 C HIS A 54 -5.648 12.454 -17.959 1.00 72.50 C ATOM 820 O HIS A 54 -4.624 12.836 -18.525 1.00 1.12 O ATOM 821 CB HIS A 54 -7.035 10.756 -19.164 1.00 13.02 C ATOM 822 CG HIS A 54 -7.822 10.544 -20.420 1.00 74.12 C ATOM 823 ND1 HIS A 54 -7.423 9.686 -21.423 1.00 23.42 N ATOM 824 CD2 HIS A 54 -8.993 11.083 -20.833 1.00 51.33 C ATOM 825 CE1 HIS A 54 -8.313 9.708 -22.399 1.00 24.41 C ATOM 826 NE2 HIS A 54 -9.276 10.548 -22.066 1.00 21.43 N ATOM 0 H HIS A 54 -6.192 12.998 -20.547 1.00 4.23 H new ATOM 0 HA HIS A 54 -7.781 12.468 -18.102 1.00 52.23 H new ATOM 0 HB2 HIS A 54 -6.030 10.357 -19.303 1.00 13.02 H new ATOM 0 HB3 HIS A 54 -7.495 10.187 -18.356 1.00 13.02 H new ATOM 0 HD2 HIS A 54 -9.593 11.800 -20.293 1.00 51.33 H new ATOM 0 HE1 HIS A 54 -8.262 9.136 -23.314 1.00 24.41 H new ATOM 0 HE2 HIS A 54 -10.096 10.764 -22.632 1.00 21.43 H new ATOM 834 N ARG A 55 -5.709 12.219 -16.652 1.00 63.23 N ATOM 835 CA ARG A 55 -4.549 12.403 -15.788 1.00 63.35 C ATOM 836 C ARG A 55 -4.331 11.179 -14.903 1.00 44.13 C ATOM 837 O ARG A 55 -5.269 10.666 -14.293 1.00 5.33 O ATOM 838 CB ARG A 55 -4.726 13.649 -14.919 1.00 41.14 C ATOM 839 CG ARG A 55 -5.907 13.564 -13.967 1.00 11.35 C ATOM 840 CD ARG A 55 -6.047 14.832 -13.139 1.00 12.22 C ATOM 841 NE ARG A 55 -6.344 14.542 -11.739 1.00 32.24 N ATOM 842 CZ ARG A 55 -6.812 15.445 -10.884 1.00 24.21 C ATOM 843 NH1 ARG A 55 -7.035 16.689 -11.285 1.00 25.23 N ATOM 844 NH2 ARG A 55 -7.058 15.104 -9.625 1.00 64.03 N ATOM 0 H ARG A 55 -6.549 11.901 -16.169 1.00 63.23 H new ATOM 0 HA ARG A 55 -3.672 12.533 -16.422 1.00 63.35 H new ATOM 0 HB2 ARG A 55 -3.816 13.811 -14.342 1.00 41.14 H new ATOM 0 HB3 ARG A 55 -4.853 14.517 -15.565 1.00 41.14 H new ATOM 0 HG2 ARG A 55 -6.822 13.396 -14.535 1.00 11.35 H new ATOM 0 HG3 ARG A 55 -5.781 12.708 -13.305 1.00 11.35 H new ATOM 0 HD2 ARG A 55 -5.125 15.409 -13.202 1.00 12.22 H new ATOM 0 HD3 ARG A 55 -6.840 15.452 -13.557 1.00 12.22 H new ATOM 0 HE ARG A 55 -6.183 13.594 -11.399 1.00 32.24 H new ATOM 0 HH11 ARG A 55 -6.847 16.955 -12.252 1.00 25.23 H new ATOM 0 HH12 ARG A 55 -7.394 17.380 -10.627 1.00 25.23 H new ATOM 0 HH21 ARG A 55 -6.888 14.148 -9.313 1.00 64.03 H new ATOM 0 HH22 ARG A 55 -7.417 15.798 -8.970 1.00 64.03 H new ATOM 858 N VAL A 56 -3.086 10.716 -14.839 1.00 74.43 N ATOM 859 CA VAL A 56 -2.744 9.553 -14.029 1.00 35.22 C ATOM 860 C VAL A 56 -1.374 9.718 -13.381 1.00 72.04 C ATOM 861 O VAL A 56 -0.500 10.397 -13.920 1.00 3.13 O ATOM 862 CB VAL A 56 -2.751 8.262 -14.869 1.00 30.33 C ATOM 863 CG1 VAL A 56 -4.154 7.960 -15.374 1.00 2.23 C ATOM 864 CG2 VAL A 56 -1.771 8.375 -16.027 1.00 13.11 C ATOM 0 H VAL A 56 -2.298 11.129 -15.338 1.00 74.43 H new ATOM 0 HA VAL A 56 -3.503 9.475 -13.251 1.00 35.22 H new ATOM 0 HB VAL A 56 -2.434 7.435 -14.234 1.00 30.33 H new ATOM 0 HG11 VAL A 56 -4.139 7.044 -15.965 1.00 2.23 H new ATOM 0 HG12 VAL A 56 -4.827 7.833 -14.526 1.00 2.23 H new ATOM 0 HG13 VAL A 56 -4.503 8.786 -15.993 1.00 2.23 H new ATOM 0 HG21 VAL A 56 -1.789 7.454 -16.610 1.00 13.11 H new ATOM 0 HG22 VAL A 56 -2.055 9.213 -16.664 1.00 13.11 H new ATOM 0 HG23 VAL A 56 -0.766 8.539 -15.638 1.00 13.11 H new ATOM 874 N ARG A 57 -1.194 9.092 -12.223 1.00 22.00 N ATOM 875 CA ARG A 57 0.070 9.170 -11.501 1.00 64.01 C ATOM 876 C ARG A 57 0.815 7.840 -11.564 1.00 21.34 C ATOM 877 O ARG A 57 0.291 6.846 -12.067 1.00 63.12 O ATOM 878 CB ARG A 57 -0.174 9.562 -10.043 1.00 20.24 C ATOM 879 CG ARG A 57 -0.712 8.425 -9.189 1.00 12.53 C ATOM 880 CD ARG A 57 -0.954 8.872 -7.755 1.00 53.14 C ATOM 881 NE ARG A 57 0.223 8.673 -6.914 1.00 33.01 N ATOM 882 CZ ARG A 57 0.222 8.845 -5.597 1.00 11.03 C ATOM 883 NH1 ARG A 57 -0.888 9.217 -4.974 1.00 41.00 N ATOM 884 NH2 ARG A 57 1.333 8.644 -4.900 1.00 11.35 N ATOM 0 H ARG A 57 -1.907 8.525 -11.765 1.00 22.00 H new ATOM 0 HA ARG A 57 0.685 9.934 -11.977 1.00 64.01 H new ATOM 0 HB2 ARG A 57 0.760 9.920 -9.610 1.00 20.24 H new ATOM 0 HB3 ARG A 57 -0.878 10.393 -10.012 1.00 20.24 H new ATOM 0 HG2 ARG A 57 -1.643 8.055 -9.618 1.00 12.53 H new ATOM 0 HG3 ARG A 57 -0.005 7.595 -9.198 1.00 12.53 H new ATOM 0 HD2 ARG A 57 -1.232 9.926 -7.746 1.00 53.14 H new ATOM 0 HD3 ARG A 57 -1.795 8.317 -7.339 1.00 53.14 H new ATOM 0 HE ARG A 57 1.093 8.386 -7.362 1.00 33.01 H new ATOM 0 HH11 ARG A 57 -1.744 9.372 -5.506 1.00 41.00 H new ATOM 0 HH12 ARG A 57 -0.886 9.348 -3.962 1.00 41.00 H new ATOM 0 HH21 ARG A 57 2.189 8.357 -5.376 1.00 11.35 H new ATOM 0 HH22 ARG A 57 1.332 8.776 -3.889 1.00 11.35 H new ATOM 898 N VAL A 58 2.041 7.829 -11.049 1.00 33.40 N ATOM 899 CA VAL A 58 2.858 6.621 -11.046 1.00 33.04 C ATOM 900 C VAL A 58 2.134 5.470 -10.357 1.00 33.34 C ATOM 901 O VAL A 58 1.819 5.542 -9.169 1.00 42.04 O ATOM 902 CB VAL A 58 4.207 6.858 -10.343 1.00 4.45 C ATOM 903 CG1 VAL A 58 5.083 5.618 -10.435 1.00 0.04 C ATOM 904 CG2 VAL A 58 4.914 8.065 -10.940 1.00 40.55 C ATOM 0 H VAL A 58 2.490 8.643 -10.629 1.00 33.40 H new ATOM 0 HA VAL A 58 3.041 6.360 -12.088 1.00 33.04 H new ATOM 0 HB VAL A 58 4.016 7.061 -9.289 1.00 4.45 H new ATOM 0 HG11 VAL A 58 6.032 5.805 -9.933 1.00 0.04 H new ATOM 0 HG12 VAL A 58 4.578 4.779 -9.956 1.00 0.04 H new ATOM 0 HG13 VAL A 58 5.268 5.380 -11.483 1.00 0.04 H new ATOM 0 HG21 VAL A 58 5.866 8.218 -10.431 1.00 40.55 H new ATOM 0 HG22 VAL A 58 5.093 7.893 -12.001 1.00 40.55 H new ATOM 0 HG23 VAL A 58 4.290 8.950 -10.816 1.00 40.55 H new ATOM 914 N GLY A 59 1.872 4.406 -11.111 1.00 3.24 N ATOM 915 CA GLY A 59 1.187 3.254 -10.555 1.00 63.54 C ATOM 916 C GLY A 59 -0.234 3.123 -11.065 1.00 72.20 C ATOM 917 O GLY A 59 -0.786 2.023 -11.111 1.00 64.02 O ATOM 0 H GLY A 59 2.122 4.322 -12.096 1.00 3.24 H new ATOM 0 HA2 GLY A 59 1.743 2.350 -10.802 1.00 63.54 H new ATOM 0 HA3 GLY A 59 1.174 3.333 -9.468 1.00 63.54 H new ATOM 921 N ASP A 60 -0.830 4.247 -11.447 1.00 3.10 N ATOM 922 CA ASP A 60 -2.197 4.254 -11.955 1.00 65.13 C ATOM 923 C ASP A 60 -2.334 3.326 -13.158 1.00 45.14 C ATOM 924 O ASP A 60 -1.342 2.800 -13.666 1.00 14.43 O ATOM 925 CB ASP A 60 -2.613 5.674 -12.341 1.00 1.22 C ATOM 926 CG ASP A 60 -3.042 6.497 -11.142 1.00 42.41 C ATOM 927 OD1 ASP A 60 -2.793 6.057 -10.001 1.00 25.13 O ATOM 928 OD2 ASP A 60 -3.627 7.582 -11.345 1.00 75.33 O ATOM 0 H ASP A 60 -0.388 5.166 -11.415 1.00 3.10 H new ATOM 0 HA ASP A 60 -2.854 3.894 -11.164 1.00 65.13 H new ATOM 0 HB2 ASP A 60 -1.781 6.170 -12.840 1.00 1.22 H new ATOM 0 HB3 ASP A 60 -3.433 5.627 -13.058 1.00 1.22 H new ATOM 933 N TYR A 61 -3.567 3.129 -13.609 1.00 73.22 N ATOM 934 CA TYR A 61 -3.834 2.262 -14.750 1.00 75.55 C ATOM 935 C TYR A 61 -4.750 2.952 -15.757 1.00 21.01 C ATOM 936 O TYR A 61 -5.682 3.664 -15.380 1.00 60.32 O ATOM 937 CB TYR A 61 -4.468 0.950 -14.284 1.00 13.03 C ATOM 938 CG TYR A 61 -3.729 0.294 -13.139 1.00 74.03 C ATOM 939 CD1 TYR A 61 -3.977 0.664 -11.823 1.00 43.33 C ATOM 940 CD2 TYR A 61 -2.784 -0.697 -13.374 1.00 74.33 C ATOM 941 CE1 TYR A 61 -3.303 0.068 -10.775 1.00 12.01 C ATOM 942 CE2 TYR A 61 -2.107 -1.300 -12.332 1.00 32.21 C ATOM 943 CZ TYR A 61 -2.370 -0.914 -11.034 1.00 42.32 C ATOM 944 OH TYR A 61 -1.698 -1.511 -9.992 1.00 61.14 O ATOM 0 H TYR A 61 -4.398 3.558 -13.202 1.00 73.22 H new ATOM 0 HA TYR A 61 -2.884 2.046 -15.239 1.00 75.55 H new ATOM 0 HB2 TYR A 61 -5.497 1.141 -13.979 1.00 13.03 H new ATOM 0 HB3 TYR A 61 -4.508 0.257 -15.124 1.00 13.03 H new ATOM 0 HD1 TYR A 61 -4.709 1.431 -11.616 1.00 43.33 H new ATOM 0 HD2 TYR A 61 -2.575 -1.001 -14.389 1.00 74.33 H new ATOM 0 HE1 TYR A 61 -3.506 0.369 -9.758 1.00 12.01 H new ATOM 0 HE2 TYR A 61 -1.376 -2.069 -12.532 1.00 32.21 H new ATOM 0 HH TYR A 61 -1.077 -2.182 -10.345 1.00 61.14 H new ATOM 954 N LEU A 62 -4.478 2.736 -17.039 1.00 43.11 N ATOM 955 CA LEU A 62 -5.276 3.336 -18.102 1.00 53.23 C ATOM 956 C LEU A 62 -5.296 2.443 -19.339 1.00 2.32 C ATOM 957 O LEU A 62 -4.376 1.658 -19.564 1.00 73.33 O ATOM 958 CB LEU A 62 -4.725 4.716 -18.464 1.00 43.34 C ATOM 959 CG LEU A 62 -3.211 4.889 -18.335 1.00 41.11 C ATOM 960 CD1 LEU A 62 -2.488 4.076 -19.397 1.00 71.44 C ATOM 961 CD2 LEU A 62 -2.831 6.359 -18.437 1.00 14.35 C ATOM 0 H LEU A 62 -3.711 2.150 -17.368 1.00 43.11 H new ATOM 0 HA LEU A 62 -6.298 3.444 -17.738 1.00 53.23 H new ATOM 0 HB2 LEU A 62 -5.010 4.941 -19.492 1.00 43.34 H new ATOM 0 HB3 LEU A 62 -5.211 5.457 -17.829 1.00 43.34 H new ATOM 0 HG LEU A 62 -2.906 4.522 -17.355 1.00 41.11 H new ATOM 0 HD11 LEU A 62 -1.412 4.212 -19.289 1.00 71.44 H new ATOM 0 HD12 LEU A 62 -2.734 3.021 -19.278 1.00 71.44 H new ATOM 0 HD13 LEU A 62 -2.799 4.412 -20.386 1.00 71.44 H new ATOM 0 HD21 LEU A 62 -1.750 6.463 -18.343 1.00 14.35 H new ATOM 0 HD22 LEU A 62 -3.151 6.751 -19.402 1.00 14.35 H new ATOM 0 HD23 LEU A 62 -3.320 6.917 -17.639 1.00 14.35 H new ATOM 973 N GLY A 63 -6.350 2.572 -20.139 1.00 31.52 N ATOM 974 CA GLY A 63 -6.469 1.772 -21.344 1.00 24.31 C ATOM 975 C GLY A 63 -6.992 0.377 -21.065 1.00 33.12 C ATOM 976 O GLY A 63 -6.928 -0.102 -19.933 1.00 31.53 O ATOM 0 H GLY A 63 -7.123 3.216 -19.974 1.00 31.52 H new ATOM 0 HA2 GLY A 63 -7.137 2.273 -22.045 1.00 24.31 H new ATOM 0 HA3 GLY A 63 -5.494 1.701 -21.827 1.00 24.31 H new ATOM 980 N ARG A 64 -7.513 -0.276 -22.099 1.00 14.33 N ATOM 981 CA ARG A 64 -8.053 -1.623 -21.959 1.00 11.35 C ATOM 982 C ARG A 64 -6.934 -2.637 -21.742 1.00 21.01 C ATOM 983 O ARG A 64 -7.185 -3.786 -21.380 1.00 14.50 O ATOM 984 CB ARG A 64 -8.866 -2.001 -23.198 1.00 42.01 C ATOM 985 CG ARG A 64 -10.142 -1.192 -23.360 1.00 13.22 C ATOM 986 CD ARG A 64 -11.033 -1.768 -24.449 1.00 32.40 C ATOM 987 NE ARG A 64 -10.280 -2.091 -25.658 1.00 74.21 N ATOM 988 CZ ARG A 64 -10.719 -2.923 -26.597 1.00 2.42 C ATOM 989 NH1 ARG A 64 -11.900 -3.511 -26.467 1.00 25.55 N ATOM 990 NH2 ARG A 64 -9.976 -3.166 -27.669 1.00 2.11 N ATOM 0 H ARG A 64 -7.572 0.106 -23.043 1.00 14.33 H new ATOM 0 HA ARG A 64 -8.706 -1.637 -21.087 1.00 11.35 H new ATOM 0 HB2 ARG A 64 -8.246 -1.866 -24.084 1.00 42.01 H new ATOM 0 HB3 ARG A 64 -9.121 -3.059 -23.146 1.00 42.01 H new ATOM 0 HG2 ARG A 64 -10.685 -1.175 -22.415 1.00 13.22 H new ATOM 0 HG3 ARG A 64 -9.891 -0.159 -23.602 1.00 13.22 H new ATOM 0 HD2 ARG A 64 -11.525 -2.667 -24.077 1.00 32.40 H new ATOM 0 HD3 ARG A 64 -11.818 -1.052 -24.691 1.00 32.40 H new ATOM 0 HE ARG A 64 -9.368 -1.654 -25.789 1.00 74.21 H new ATOM 0 HH11 ARG A 64 -12.474 -3.325 -25.645 1.00 25.55 H new ATOM 0 HH12 ARG A 64 -12.234 -4.149 -27.189 1.00 25.55 H new ATOM 0 HH21 ARG A 64 -9.067 -2.714 -27.773 1.00 2.11 H new ATOM 0 HH22 ARG A 64 -10.313 -3.805 -28.389 1.00 2.11 H new ATOM 1004 N ASN A 65 -5.698 -2.204 -21.967 1.00 2.53 N ATOM 1005 CA ASN A 65 -4.540 -3.074 -21.797 1.00 41.12 C ATOM 1006 C ASN A 65 -3.960 -2.940 -20.393 1.00 24.04 C ATOM 1007 O ASN A 65 -2.823 -3.339 -20.139 1.00 1.12 O ATOM 1008 CB ASN A 65 -3.469 -2.741 -22.838 1.00 3.24 C ATOM 1009 CG ASN A 65 -3.985 -2.862 -24.258 1.00 51.23 C ATOM 1010 OD1 ASN A 65 -3.797 -1.962 -25.078 1.00 33.34 O ATOM 1011 ND2 ASN A 65 -4.640 -3.978 -24.557 1.00 10.15 N ATOM 0 H ASN A 65 -5.472 -1.256 -22.268 1.00 2.53 H new ATOM 0 HA ASN A 65 -4.867 -4.104 -21.938 1.00 41.12 H new ATOM 0 HB2 ASN A 65 -3.107 -1.726 -22.671 1.00 3.24 H new ATOM 0 HB3 ASN A 65 -2.618 -3.409 -22.706 1.00 3.24 H new ATOM 0 HD21 ASN A 65 -5.010 -4.116 -25.497 1.00 10.15 H new ATOM 0 HD22 ASN A 65 -4.773 -4.698 -23.846 1.00 10.15 H new ATOM 1018 N ASP A 66 -4.748 -2.377 -19.484 1.00 53.20 N ATOM 1019 CA ASP A 66 -4.314 -2.192 -18.104 1.00 52.52 C ATOM 1020 C ASP A 66 -2.964 -1.484 -18.050 1.00 25.53 C ATOM 1021 O ASP A 66 -2.090 -1.853 -17.266 1.00 3.10 O ATOM 1022 CB ASP A 66 -4.227 -3.541 -17.389 1.00 42.31 C ATOM 1023 CG ASP A 66 -5.580 -4.034 -16.916 1.00 70.02 C ATOM 1024 OD1 ASP A 66 -6.480 -3.193 -16.710 1.00 40.44 O ATOM 1025 OD2 ASP A 66 -5.740 -5.262 -16.753 1.00 4.53 O ATOM 0 H ASP A 66 -5.691 -2.041 -19.678 1.00 53.20 H new ATOM 0 HA ASP A 66 -5.051 -1.569 -17.597 1.00 52.52 H new ATOM 0 HB2 ASP A 66 -3.790 -4.278 -18.062 1.00 42.31 H new ATOM 0 HB3 ASP A 66 -3.556 -3.453 -16.534 1.00 42.31 H new ATOM 1030 N GLY A 67 -2.800 -0.467 -18.889 1.00 44.45 N ATOM 1031 CA GLY A 67 -1.553 0.275 -18.922 1.00 4.03 C ATOM 1032 C GLY A 67 -1.181 0.844 -17.567 1.00 14.23 C ATOM 1033 O GLY A 67 -1.708 1.877 -17.153 1.00 40.52 O ATOM 0 H GLY A 67 -3.509 -0.143 -19.547 1.00 44.45 H new ATOM 0 HA2 GLY A 67 -0.754 -0.379 -19.270 1.00 4.03 H new ATOM 0 HA3 GLY A 67 -1.636 1.088 -19.644 1.00 4.03 H new ATOM 1037 N LYS A 68 -0.273 0.168 -16.872 1.00 3.53 N ATOM 1038 CA LYS A 68 0.169 0.612 -15.555 1.00 22.32 C ATOM 1039 C LYS A 68 1.365 1.552 -15.670 1.00 32.21 C ATOM 1040 O LYS A 68 2.397 1.193 -16.237 1.00 10.11 O ATOM 1041 CB LYS A 68 0.536 -0.593 -14.685 1.00 11.20 C ATOM 1042 CG LYS A 68 0.989 -0.217 -13.285 1.00 1.31 C ATOM 1043 CD LYS A 68 1.757 -1.349 -12.624 1.00 73.31 C ATOM 1044 CE LYS A 68 3.121 -1.547 -13.267 1.00 30.52 C ATOM 1045 NZ LYS A 68 3.925 -2.578 -12.554 1.00 64.43 N ATOM 0 H LYS A 68 0.172 -0.690 -17.199 1.00 3.53 H new ATOM 0 HA LYS A 68 -0.653 1.154 -15.087 1.00 22.32 H new ATOM 0 HB2 LYS A 68 -0.327 -1.255 -14.613 1.00 11.20 H new ATOM 0 HB3 LYS A 68 1.330 -1.156 -15.176 1.00 11.20 H new ATOM 0 HG2 LYS A 68 1.618 0.672 -13.332 1.00 1.31 H new ATOM 0 HG3 LYS A 68 0.121 0.038 -12.677 1.00 1.31 H new ATOM 0 HD2 LYS A 68 1.882 -1.134 -11.563 1.00 73.31 H new ATOM 0 HD3 LYS A 68 1.182 -2.272 -12.697 1.00 73.31 H new ATOM 0 HE2 LYS A 68 2.992 -1.843 -14.308 1.00 30.52 H new ATOM 0 HE3 LYS A 68 3.663 -0.601 -13.269 1.00 30.52 H new ATOM 0 HZ1 LYS A 68 4.848 -2.684 -13.022 1.00 64.43 H new ATOM 0 HZ2 LYS A 68 4.070 -2.284 -11.567 1.00 64.43 H new ATOM 0 HZ3 LYS A 68 3.420 -3.487 -12.574 1.00 64.43 H new ATOM 1059 N VAL A 69 1.219 2.757 -15.127 1.00 62.52 N ATOM 1060 CA VAL A 69 2.288 3.747 -15.167 1.00 2.21 C ATOM 1061 C VAL A 69 3.445 3.344 -14.260 1.00 21.03 C ATOM 1062 O VAL A 69 3.251 3.059 -13.078 1.00 4.33 O ATOM 1063 CB VAL A 69 1.780 5.139 -14.745 1.00 30.43 C ATOM 1064 CG1 VAL A 69 2.913 6.153 -14.773 1.00 64.44 C ATOM 1065 CG2 VAL A 69 0.634 5.582 -15.642 1.00 23.30 C ATOM 0 H VAL A 69 0.371 3.070 -14.655 1.00 62.52 H new ATOM 0 HA VAL A 69 2.638 3.793 -16.198 1.00 2.21 H new ATOM 0 HB VAL A 69 1.407 5.076 -13.723 1.00 30.43 H new ATOM 0 HG11 VAL A 69 2.535 7.130 -14.472 1.00 64.44 H new ATOM 0 HG12 VAL A 69 3.698 5.840 -14.085 1.00 64.44 H new ATOM 0 HG13 VAL A 69 3.319 6.217 -15.782 1.00 64.44 H new ATOM 0 HG21 VAL A 69 0.287 6.567 -15.330 1.00 23.30 H new ATOM 0 HG22 VAL A 69 0.978 5.629 -16.675 1.00 23.30 H new ATOM 0 HG23 VAL A 69 -0.186 4.868 -15.565 1.00 23.30 H new ATOM 1075 N VAL A 70 4.650 3.322 -14.821 1.00 0.03 N ATOM 1076 CA VAL A 70 5.840 2.955 -14.062 1.00 51.22 C ATOM 1077 C VAL A 70 6.864 4.084 -14.067 1.00 3.34 C ATOM 1078 O VAL A 70 7.628 4.248 -13.116 1.00 70.41 O ATOM 1079 CB VAL A 70 6.495 1.681 -14.627 1.00 33.41 C ATOM 1080 CG1 VAL A 70 5.488 0.542 -14.680 1.00 60.50 C ATOM 1081 CG2 VAL A 70 7.082 1.949 -16.004 1.00 55.15 C ATOM 0 H VAL A 70 4.828 3.554 -15.798 1.00 0.03 H new ATOM 0 HA VAL A 70 5.517 2.765 -13.038 1.00 51.22 H new ATOM 0 HB VAL A 70 7.307 1.386 -13.963 1.00 33.41 H new ATOM 0 HG11 VAL A 70 5.968 -0.350 -15.082 1.00 60.50 H new ATOM 0 HG12 VAL A 70 5.120 0.335 -13.675 1.00 60.50 H new ATOM 0 HG13 VAL A 70 4.653 0.824 -15.321 1.00 60.50 H new ATOM 0 HG21 VAL A 70 7.541 1.038 -16.388 1.00 55.15 H new ATOM 0 HG22 VAL A 70 6.290 2.270 -16.681 1.00 55.15 H new ATOM 0 HG23 VAL A 70 7.837 2.732 -15.932 1.00 55.15 H new ATOM 1091 N GLY A 71 6.874 4.863 -15.145 1.00 23.15 N ATOM 1092 CA GLY A 71 7.809 5.968 -15.253 1.00 32.22 C ATOM 1093 C GLY A 71 7.217 7.159 -15.979 1.00 55.04 C ATOM 1094 O GLY A 71 6.354 7.001 -16.844 1.00 61.20 O ATOM 0 H GLY A 71 6.252 4.748 -15.945 1.00 23.15 H new ATOM 0 HA2 GLY A 71 8.122 6.274 -14.255 1.00 32.22 H new ATOM 0 HA3 GLY A 71 8.703 5.633 -15.779 1.00 32.22 H new ATOM 1098 N ILE A 72 7.678 8.354 -15.628 1.00 3.15 N ATOM 1099 CA ILE A 72 7.188 9.576 -16.252 1.00 52.32 C ATOM 1100 C ILE A 72 8.342 10.476 -16.681 1.00 0.11 C ATOM 1101 O ILE A 72 9.095 10.977 -15.846 1.00 51.40 O ATOM 1102 CB ILE A 72 6.264 10.362 -15.303 1.00 3.31 C ATOM 1103 CG1 ILE A 72 5.074 9.498 -14.883 1.00 33.11 C ATOM 1104 CG2 ILE A 72 5.787 11.644 -15.969 1.00 75.24 C ATOM 1105 CD1 ILE A 72 4.349 10.019 -13.662 1.00 4.44 C ATOM 0 H ILE A 72 8.391 8.502 -14.914 1.00 3.15 H new ATOM 0 HA ILE A 72 6.620 9.274 -17.132 1.00 52.32 H new ATOM 0 HB ILE A 72 6.828 10.629 -14.409 1.00 3.31 H new ATOM 0 HG12 ILE A 72 4.371 9.434 -15.713 1.00 33.11 H new ATOM 0 HG13 ILE A 72 5.424 8.485 -14.683 1.00 33.11 H new ATOM 0 HG21 ILE A 72 5.135 12.188 -15.286 1.00 75.24 H new ATOM 0 HG22 ILE A 72 6.647 12.264 -16.222 1.00 75.24 H new ATOM 0 HG23 ILE A 72 5.237 11.399 -16.878 1.00 75.24 H new ATOM 0 HD11 ILE A 72 3.517 9.357 -13.422 1.00 4.44 H new ATOM 0 HD12 ILE A 72 5.038 10.056 -12.818 1.00 4.44 H new ATOM 0 HD13 ILE A 72 3.969 11.020 -13.864 1.00 4.44 H new ATOM 1117 N SER A 73 8.474 10.678 -17.988 1.00 70.20 N ATOM 1118 CA SER A 73 9.538 11.516 -18.529 1.00 33.04 C ATOM 1119 C SER A 73 8.999 12.885 -18.932 1.00 74.02 C ATOM 1120 O SER A 73 7.810 13.164 -18.781 1.00 11.43 O ATOM 1121 CB SER A 73 10.189 10.836 -19.735 1.00 32.15 C ATOM 1122 OG SER A 73 10.159 9.425 -19.602 1.00 53.33 O ATOM 0 H SER A 73 7.857 10.273 -18.692 1.00 70.20 H new ATOM 0 HA SER A 73 10.289 11.655 -17.751 1.00 33.04 H new ATOM 0 HB2 SER A 73 9.669 11.130 -20.647 1.00 32.15 H new ATOM 0 HB3 SER A 73 11.221 11.173 -19.834 1.00 32.15 H new ATOM 0 HG SER A 73 9.262 9.095 -19.820 1.00 53.33 H new ATOM 1128 N GLU A 74 9.883 13.734 -19.447 1.00 13.15 N ATOM 1129 CA GLU A 74 9.496 15.074 -19.871 1.00 40.42 C ATOM 1130 C GLU A 74 9.000 15.066 -21.314 1.00 44.04 C ATOM 1131 O GLU A 74 8.209 15.919 -21.716 1.00 23.54 O ATOM 1132 CB GLU A 74 10.676 16.038 -19.731 1.00 41.22 C ATOM 1133 CG GLU A 74 11.831 15.726 -20.668 1.00 1.31 C ATOM 1134 CD GLU A 74 13.152 16.281 -20.171 1.00 12.34 C ATOM 1135 OE1 GLU A 74 13.152 17.398 -19.610 1.00 61.44 O ATOM 1136 OE2 GLU A 74 14.184 15.600 -20.342 1.00 3.33 O ATOM 0 H GLU A 74 10.871 13.518 -19.580 1.00 13.15 H new ATOM 0 HA GLU A 74 8.683 15.410 -19.227 1.00 40.42 H new ATOM 0 HB2 GLU A 74 10.329 17.054 -19.921 1.00 41.22 H new ATOM 0 HB3 GLU A 74 11.036 16.011 -18.703 1.00 41.22 H new ATOM 0 HG2 GLU A 74 11.916 14.646 -20.786 1.00 1.31 H new ATOM 0 HG3 GLU A 74 11.616 16.138 -21.654 1.00 1.31 H new ATOM 1143 N GLY A 75 9.473 14.096 -22.091 1.00 21.52 N ATOM 1144 CA GLY A 75 9.068 13.994 -23.481 1.00 24.02 C ATOM 1145 C GLY A 75 8.361 12.688 -23.785 1.00 2.22 C ATOM 1146 O GLY A 75 8.056 12.393 -24.940 1.00 75.04 O ATOM 0 H GLY A 75 10.130 13.379 -21.782 1.00 21.52 H new ATOM 0 HA2 GLY A 75 8.408 14.826 -23.726 1.00 24.02 H new ATOM 0 HA3 GLY A 75 9.947 14.085 -24.120 1.00 24.02 H new ATOM 1150 N LYS A 76 8.101 11.902 -22.746 1.00 24.03 N ATOM 1151 CA LYS A 76 7.426 10.620 -22.906 1.00 23.42 C ATOM 1152 C LYS A 76 7.033 10.039 -21.551 1.00 64.32 C ATOM 1153 O LYS A 76 7.373 10.593 -20.506 1.00 5.14 O ATOM 1154 CB LYS A 76 8.329 9.635 -23.653 1.00 35.44 C ATOM 1155 CG LYS A 76 9.689 9.444 -23.004 1.00 72.12 C ATOM 1156 CD LYS A 76 10.692 10.471 -23.501 1.00 43.10 C ATOM 1157 CE LYS A 76 12.123 9.989 -23.314 1.00 74.53 C ATOM 1158 NZ LYS A 76 13.090 10.806 -24.097 1.00 4.22 N ATOM 0 H LYS A 76 8.348 12.131 -21.783 1.00 24.03 H new ATOM 0 HA LYS A 76 6.519 10.785 -23.487 1.00 23.42 H new ATOM 0 HB2 LYS A 76 7.827 8.670 -23.715 1.00 35.44 H new ATOM 0 HB3 LYS A 76 8.470 9.987 -24.675 1.00 35.44 H new ATOM 0 HG2 LYS A 76 9.591 9.524 -21.921 1.00 72.12 H new ATOM 0 HG3 LYS A 76 10.058 8.441 -23.218 1.00 72.12 H new ATOM 0 HD2 LYS A 76 10.511 10.677 -24.556 1.00 43.10 H new ATOM 0 HD3 LYS A 76 10.550 11.409 -22.964 1.00 43.10 H new ATOM 0 HE2 LYS A 76 12.385 10.031 -22.257 1.00 74.53 H new ATOM 0 HE3 LYS A 76 12.198 8.946 -23.620 1.00 74.53 H new ATOM 0 HZ1 LYS A 76 14.053 10.446 -23.943 1.00 4.22 H new ATOM 0 HZ2 LYS A 76 12.856 10.746 -25.109 1.00 4.22 H new ATOM 0 HZ3 LYS A 76 13.037 11.797 -23.787 1.00 4.22 H new ATOM 1172 N ILE A 77 6.317 8.920 -21.578 1.00 25.34 N ATOM 1173 CA ILE A 77 5.881 8.263 -20.351 1.00 44.24 C ATOM 1174 C ILE A 77 6.047 6.751 -20.449 1.00 25.53 C ATOM 1175 O ILE A 77 5.598 6.127 -21.410 1.00 62.05 O ATOM 1176 CB ILE A 77 4.410 8.587 -20.032 1.00 1.41 C ATOM 1177 CG1 ILE A 77 4.200 10.102 -19.974 1.00 32.24 C ATOM 1178 CG2 ILE A 77 3.998 7.939 -18.719 1.00 31.02 C ATOM 1179 CD1 ILE A 77 2.743 10.509 -19.943 1.00 23.15 C ATOM 0 H ILE A 77 6.027 8.449 -22.435 1.00 25.34 H new ATOM 0 HA ILE A 77 6.511 8.644 -19.547 1.00 44.24 H new ATOM 0 HB ILE A 77 3.783 8.182 -20.827 1.00 1.41 H new ATOM 0 HG12 ILE A 77 4.698 10.496 -19.088 1.00 32.24 H new ATOM 0 HG13 ILE A 77 4.679 10.561 -20.839 1.00 32.24 H new ATOM 0 HG21 ILE A 77 2.956 8.177 -18.507 1.00 31.02 H new ATOM 0 HG22 ILE A 77 4.115 6.858 -18.794 1.00 31.02 H new ATOM 0 HG23 ILE A 77 4.628 8.317 -17.913 1.00 31.02 H new ATOM 0 HD11 ILE A 77 2.670 11.596 -19.902 1.00 23.15 H new ATOM 0 HD12 ILE A 77 2.244 10.145 -20.841 1.00 23.15 H new ATOM 0 HD13 ILE A 77 2.264 10.080 -19.063 1.00 23.15 H new ATOM 1191 N ASP A 78 6.694 6.166 -19.446 1.00 11.30 N ATOM 1192 CA ASP A 78 6.917 4.725 -19.416 1.00 40.53 C ATOM 1193 C ASP A 78 5.790 4.016 -18.671 1.00 43.34 C ATOM 1194 O ASP A 78 5.569 4.257 -17.485 1.00 31.14 O ATOM 1195 CB ASP A 78 8.260 4.409 -18.756 1.00 51.30 C ATOM 1196 CG ASP A 78 9.435 4.682 -19.674 1.00 70.03 C ATOM 1197 OD1 ASP A 78 9.945 5.822 -19.662 1.00 72.32 O ATOM 1198 OD2 ASP A 78 9.844 3.756 -20.406 1.00 23.13 O ATOM 0 H ASP A 78 7.073 6.668 -18.643 1.00 11.30 H new ATOM 0 HA ASP A 78 6.932 4.363 -20.444 1.00 40.53 H new ATOM 0 HB2 ASP A 78 8.365 5.005 -17.849 1.00 51.30 H new ATOM 0 HB3 ASP A 78 8.275 3.362 -18.453 1.00 51.30 H new ATOM 1203 N VAL A 79 5.080 3.142 -19.377 1.00 21.43 N ATOM 1204 CA VAL A 79 3.976 2.397 -18.783 1.00 0.33 C ATOM 1205 C VAL A 79 3.934 0.966 -19.305 1.00 63.23 C ATOM 1206 O VAL A 79 4.284 0.704 -20.456 1.00 44.25 O ATOM 1207 CB VAL A 79 2.623 3.076 -19.068 1.00 43.24 C ATOM 1208 CG1 VAL A 79 2.669 4.544 -18.674 1.00 13.51 C ATOM 1209 CG2 VAL A 79 2.249 2.921 -20.535 1.00 20.13 C ATOM 0 H VAL A 79 5.249 2.932 -20.361 1.00 21.43 H new ATOM 0 HA VAL A 79 4.147 2.383 -17.707 1.00 0.33 H new ATOM 0 HB VAL A 79 1.856 2.587 -18.467 1.00 43.24 H new ATOM 0 HG11 VAL A 79 1.705 5.007 -18.883 1.00 13.51 H new ATOM 0 HG12 VAL A 79 2.890 4.628 -17.610 1.00 13.51 H new ATOM 0 HG13 VAL A 79 3.446 5.050 -19.247 1.00 13.51 H new ATOM 0 HG21 VAL A 79 1.291 3.406 -20.719 1.00 20.13 H new ATOM 0 HG22 VAL A 79 3.016 3.384 -21.157 1.00 20.13 H new ATOM 0 HG23 VAL A 79 2.173 1.862 -20.781 1.00 20.13 H new ATOM 1219 N ILE A 80 3.503 0.043 -18.452 1.00 65.31 N ATOM 1220 CA ILE A 80 3.414 -1.363 -18.829 1.00 3.44 C ATOM 1221 C ILE A 80 2.013 -1.713 -19.318 1.00 0.15 C ATOM 1222 O ILE A 80 1.040 -1.602 -18.573 1.00 11.42 O ATOM 1223 CB ILE A 80 3.781 -2.285 -17.651 1.00 74.21 C ATOM 1224 CG1 ILE A 80 5.299 -2.443 -17.551 1.00 43.44 C ATOM 1225 CG2 ILE A 80 3.112 -3.642 -17.813 1.00 54.04 C ATOM 1226 CD1 ILE A 80 5.899 -3.244 -18.685 1.00 25.41 C ATOM 0 H ILE A 80 3.210 0.243 -17.496 1.00 65.31 H new ATOM 0 HA ILE A 80 4.128 -1.520 -19.638 1.00 3.44 H new ATOM 0 HB ILE A 80 3.421 -1.831 -16.728 1.00 74.21 H new ATOM 0 HG12 ILE A 80 5.759 -1.455 -17.532 1.00 43.44 H new ATOM 0 HG13 ILE A 80 5.544 -2.927 -16.606 1.00 43.44 H new ATOM 0 HG21 ILE A 80 3.381 -4.283 -16.973 1.00 54.04 H new ATOM 0 HG22 ILE A 80 2.030 -3.513 -17.840 1.00 54.04 H new ATOM 0 HG23 ILE A 80 3.446 -4.103 -18.742 1.00 54.04 H new ATOM 0 HD11 ILE A 80 6.978 -3.315 -18.549 1.00 25.41 H new ATOM 0 HD12 ILE A 80 5.467 -4.245 -18.692 1.00 25.41 H new ATOM 0 HD13 ILE A 80 5.685 -2.750 -19.633 1.00 25.41 H new ATOM 1238 N GLU A 81 1.919 -2.138 -20.574 1.00 24.35 N ATOM 1239 CA GLU A 81 0.637 -2.506 -21.161 1.00 74.21 C ATOM 1240 C GLU A 81 0.544 -4.016 -21.365 1.00 3.32 C ATOM 1241 O GLU A 81 1.559 -4.694 -21.527 1.00 42.22 O ATOM 1242 CB GLU A 81 0.437 -1.787 -22.497 1.00 65.20 C ATOM 1243 CG GLU A 81 0.575 -0.277 -22.402 1.00 12.12 C ATOM 1244 CD GLU A 81 0.719 0.382 -23.760 1.00 0.53 C ATOM 1245 OE1 GLU A 81 0.438 -0.285 -24.777 1.00 11.21 O ATOM 1246 OE2 GLU A 81 1.113 1.567 -23.804 1.00 61.24 O ATOM 0 H GLU A 81 2.715 -2.236 -21.204 1.00 24.35 H new ATOM 0 HA GLU A 81 -0.150 -2.201 -20.471 1.00 74.21 H new ATOM 0 HB2 GLU A 81 1.164 -2.165 -23.216 1.00 65.20 H new ATOM 0 HB3 GLU A 81 -0.552 -2.029 -22.886 1.00 65.20 H new ATOM 0 HG2 GLU A 81 -0.298 0.133 -21.894 1.00 12.12 H new ATOM 0 HG3 GLU A 81 1.443 -0.033 -21.790 1.00 12.12 H new ATOM 1253 N ILE A 82 -0.679 -4.534 -21.354 1.00 60.41 N ATOM 1254 CA ILE A 82 -0.904 -5.963 -21.538 1.00 11.30 C ATOM 1255 C ILE A 82 -1.399 -6.264 -22.948 1.00 73.14 C ATOM 1256 O ILE A 82 -2.228 -5.536 -23.496 1.00 64.40 O ATOM 1257 CB ILE A 82 -1.924 -6.507 -20.521 1.00 31.44 C ATOM 1258 CG1 ILE A 82 -1.572 -6.034 -19.109 1.00 3.10 C ATOM 1259 CG2 ILE A 82 -1.971 -8.027 -20.579 1.00 41.13 C ATOM 1260 CD1 ILE A 82 -0.212 -6.499 -18.637 1.00 61.43 C ATOM 0 H ILE A 82 -1.529 -3.987 -21.220 1.00 60.41 H new ATOM 0 HA ILE A 82 0.055 -6.457 -21.379 1.00 11.30 H new ATOM 0 HB ILE A 82 -2.911 -6.122 -20.778 1.00 31.44 H new ATOM 0 HG12 ILE A 82 -1.604 -4.945 -19.081 1.00 3.10 H new ATOM 0 HG13 ILE A 82 -2.331 -6.394 -18.414 1.00 3.10 H new ATOM 0 HG21 ILE A 82 -2.697 -8.396 -19.854 1.00 41.13 H new ATOM 0 HG22 ILE A 82 -2.264 -8.344 -21.580 1.00 41.13 H new ATOM 0 HG23 ILE A 82 -0.986 -8.431 -20.344 1.00 41.13 H new ATOM 0 HD11 ILE A 82 -0.030 -6.127 -17.629 1.00 61.43 H new ATOM 0 HD12 ILE A 82 -0.181 -7.589 -18.632 1.00 61.43 H new ATOM 0 HD13 ILE A 82 0.557 -6.117 -19.309 1.00 61.43 H new ATOM 1272 N VAL A 83 -0.887 -7.343 -23.531 1.00 74.45 N ATOM 1273 CA VAL A 83 -1.279 -7.744 -24.877 1.00 54.25 C ATOM 1274 C VAL A 83 -1.336 -9.262 -25.005 1.00 12.03 C ATOM 1275 O VAL A 83 -0.684 -9.997 -24.263 1.00 12.25 O ATOM 1276 CB VAL A 83 -0.307 -7.187 -25.934 1.00 61.12 C ATOM 1277 CG1 VAL A 83 -0.570 -5.709 -26.176 1.00 40.40 C ATOM 1278 CG2 VAL A 83 1.134 -7.417 -25.505 1.00 63.52 C ATOM 0 H VAL A 83 -0.199 -7.955 -23.092 1.00 74.45 H new ATOM 0 HA VAL A 83 -2.272 -7.331 -25.053 1.00 54.25 H new ATOM 0 HB VAL A 83 -0.473 -7.719 -26.871 1.00 61.12 H new ATOM 0 HG11 VAL A 83 0.126 -5.333 -26.926 1.00 40.40 H new ATOM 0 HG12 VAL A 83 -1.592 -5.575 -26.530 1.00 40.40 H new ATOM 0 HG13 VAL A 83 -0.433 -5.158 -25.246 1.00 40.40 H new ATOM 0 HG21 VAL A 83 1.808 -7.017 -26.263 1.00 63.52 H new ATOM 0 HG22 VAL A 83 1.316 -6.913 -24.556 1.00 63.52 H new ATOM 0 HG23 VAL A 83 1.313 -8.486 -25.388 1.00 63.52 H new ATOM 1288 N PRO A 84 -2.134 -9.746 -25.968 1.00 50.53 N ATOM 1289 CA PRO A 84 -2.295 -11.181 -26.217 1.00 24.32 C ATOM 1290 C PRO A 84 -1.037 -11.812 -26.806 1.00 12.15 C ATOM 1291 O PRO A 84 -0.281 -11.157 -27.523 1.00 62.42 O ATOM 1292 CB PRO A 84 -3.445 -11.240 -27.225 1.00 22.40 C ATOM 1293 CG PRO A 84 -3.411 -9.921 -27.916 1.00 63.23 C ATOM 1294 CD PRO A 84 -2.940 -8.928 -26.890 1.00 15.10 C ATOM 0 HA PRO A 84 -2.487 -11.735 -25.298 1.00 24.32 H new ATOM 0 HB2 PRO A 84 -3.311 -12.060 -27.931 1.00 22.40 H new ATOM 0 HB3 PRO A 84 -4.401 -11.401 -26.726 1.00 22.40 H new ATOM 0 HG2 PRO A 84 -2.737 -9.946 -28.772 1.00 63.23 H new ATOM 0 HG3 PRO A 84 -4.398 -9.653 -28.294 1.00 63.23 H new ATOM 0 HD2 PRO A 84 -2.349 -8.132 -27.343 1.00 15.10 H new ATOM 0 HD3 PRO A 84 -3.776 -8.452 -26.378 1.00 15.10 H new ATOM 1302 N ASP A 85 -0.820 -13.086 -26.498 1.00 14.21 N ATOM 1303 CA ASP A 85 0.345 -13.806 -26.998 1.00 41.52 C ATOM 1304 C ASP A 85 0.024 -14.514 -28.311 1.00 22.15 C ATOM 1305 O ASP A 85 0.906 -14.737 -29.139 1.00 31.51 O ATOM 1306 CB ASP A 85 0.828 -14.821 -25.961 1.00 43.51 C ATOM 1307 CG ASP A 85 1.705 -14.189 -24.898 1.00 11.14 C ATOM 1308 OD1 ASP A 85 2.930 -14.095 -25.118 1.00 42.03 O ATOM 1309 OD2 ASP A 85 1.166 -13.789 -23.844 1.00 73.42 O ATOM 0 H ASP A 85 -1.436 -13.641 -25.904 1.00 14.21 H new ATOM 0 HA ASP A 85 1.138 -13.081 -27.182 1.00 41.52 H new ATOM 0 HB2 ASP A 85 -0.034 -15.289 -25.486 1.00 43.51 H new ATOM 0 HB3 ASP A 85 1.384 -15.613 -26.463 1.00 43.51 H new ATOM 1314 N GLY A 86 -1.245 -14.866 -28.492 1.00 70.33 N ATOM 1315 CA GLY A 86 -1.660 -15.547 -29.705 1.00 64.01 C ATOM 1316 C GLY A 86 -2.456 -16.805 -29.420 1.00 62.15 C ATOM 1317 O GLY A 86 -3.417 -17.111 -30.125 1.00 13.32 O ATOM 0 H GLY A 86 -1.993 -14.692 -27.821 1.00 70.33 H new ATOM 0 HA2 GLY A 86 -2.262 -14.869 -30.311 1.00 64.01 H new ATOM 0 HA3 GLY A 86 -0.779 -15.804 -30.294 1.00 64.01 H new ATOM 1321 N GLU A 87 -2.054 -17.537 -28.386 1.00 44.02 N ATOM 1322 CA GLU A 87 -2.736 -18.770 -28.013 1.00 22.43 C ATOM 1323 C GLU A 87 -3.921 -18.481 -27.096 1.00 52.45 C ATOM 1324 O GLU A 87 -4.881 -19.248 -27.044 1.00 31.24 O ATOM 1325 CB GLU A 87 -1.764 -19.727 -27.320 1.00 24.52 C ATOM 1326 CG GLU A 87 -0.409 -19.818 -28.001 1.00 44.44 C ATOM 1327 CD GLU A 87 0.177 -21.216 -27.953 1.00 51.41 C ATOM 1328 OE1 GLU A 87 0.023 -21.887 -26.911 1.00 41.21 O ATOM 1329 OE2 GLU A 87 0.789 -21.638 -28.956 1.00 73.21 O ATOM 0 H GLU A 87 -1.260 -17.298 -27.792 1.00 44.02 H new ATOM 0 HA GLU A 87 -3.109 -19.238 -28.924 1.00 22.43 H new ATOM 0 HB2 GLU A 87 -1.622 -19.403 -26.289 1.00 24.52 H new ATOM 0 HB3 GLU A 87 -2.210 -20.721 -27.283 1.00 24.52 H new ATOM 0 HG2 GLU A 87 -0.508 -19.505 -29.040 1.00 44.44 H new ATOM 0 HG3 GLU A 87 0.281 -19.123 -27.523 1.00 44.44 H new ATOM 1336 N GLY A 88 -3.846 -17.366 -26.375 1.00 64.11 N ATOM 1337 CA GLY A 88 -4.917 -16.994 -25.470 1.00 73.21 C ATOM 1338 C GLY A 88 -4.403 -16.372 -24.187 1.00 50.01 C ATOM 1339 O GLY A 88 -5.161 -15.750 -23.444 1.00 43.32 O ATOM 0 H GLY A 88 -3.062 -16.714 -26.402 1.00 64.11 H new ATOM 0 HA2 GLY A 88 -5.583 -16.290 -25.970 1.00 73.21 H new ATOM 0 HA3 GLY A 88 -5.509 -17.877 -25.230 1.00 73.21 H new ATOM 1343 N ASN A 89 -3.111 -16.542 -23.925 1.00 50.44 N ATOM 1344 CA ASN A 89 -2.497 -15.993 -22.722 1.00 24.43 C ATOM 1345 C ASN A 89 -2.004 -14.570 -22.962 1.00 50.34 C ATOM 1346 O ASN A 89 -1.517 -14.246 -24.045 1.00 41.54 O ATOM 1347 CB ASN A 89 -1.333 -16.878 -22.270 1.00 21.12 C ATOM 1348 CG ASN A 89 -0.325 -17.118 -23.377 1.00 72.23 C ATOM 1349 OD1 ASN A 89 0.653 -16.382 -23.512 1.00 75.43 O ATOM 1350 ND2 ASN A 89 -0.560 -18.152 -24.177 1.00 31.22 N ATOM 0 H ASN A 89 -2.470 -17.055 -24.529 1.00 50.44 H new ATOM 0 HA ASN A 89 -3.253 -15.968 -21.938 1.00 24.43 H new ATOM 0 HB2 ASN A 89 -0.833 -16.410 -21.422 1.00 21.12 H new ATOM 0 HB3 ASN A 89 -1.722 -17.835 -21.923 1.00 21.12 H new ATOM 0 HD21 ASN A 89 0.083 -18.363 -24.940 1.00 31.22 H new ATOM 0 HD22 ASN A 89 -1.383 -18.735 -24.028 1.00 31.22 H new ATOM 1357 N TRP A 90 -2.134 -13.725 -21.946 1.00 30.12 N ATOM 1358 CA TRP A 90 -1.702 -12.336 -22.047 1.00 5.25 C ATOM 1359 C TRP A 90 -0.336 -12.142 -21.397 1.00 64.52 C ATOM 1360 O TRP A 90 0.099 -12.962 -20.587 1.00 3.01 O ATOM 1361 CB TRP A 90 -2.728 -11.412 -21.389 1.00 41.31 C ATOM 1362 CG TRP A 90 -4.119 -11.598 -21.916 1.00 24.52 C ATOM 1363 CD1 TRP A 90 -4.987 -12.603 -21.598 1.00 15.14 C ATOM 1364 CD2 TRP A 90 -4.799 -10.759 -22.855 1.00 31.00 C ATOM 1365 NE1 TRP A 90 -6.167 -12.438 -22.282 1.00 73.44 N ATOM 1366 CE2 TRP A 90 -6.077 -11.314 -23.060 1.00 35.22 C ATOM 1367 CE3 TRP A 90 -4.454 -9.592 -23.541 1.00 51.41 C ATOM 1368 CZ2 TRP A 90 -7.008 -10.741 -23.923 1.00 21.14 C ATOM 1369 CZ3 TRP A 90 -5.379 -9.024 -24.397 1.00 64.22 C ATOM 1370 CH2 TRP A 90 -6.643 -9.598 -24.581 1.00 74.55 C ATOM 0 H TRP A 90 -2.535 -13.977 -21.043 1.00 30.12 H new ATOM 0 HA TRP A 90 -1.620 -12.083 -23.104 1.00 5.25 H new ATOM 0 HB2 TRP A 90 -2.728 -11.588 -20.313 1.00 41.31 H new ATOM 0 HB3 TRP A 90 -2.425 -10.376 -21.542 1.00 41.31 H new ATOM 0 HD1 TRP A 90 -4.777 -13.409 -20.910 1.00 15.14 H new ATOM 0 HE1 TRP A 90 -6.979 -13.053 -22.221 1.00 73.44 H new ATOM 0 HE3 TRP A 90 -3.482 -9.142 -23.405 1.00 51.41 H new ATOM 0 HZ2 TRP A 90 -7.983 -11.183 -24.068 1.00 21.14 H new ATOM 0 HZ3 TRP A 90 -5.122 -8.122 -24.933 1.00 64.22 H new ATOM 0 HH2 TRP A 90 -7.344 -9.129 -25.256 1.00 74.55 H new ATOM 1381 N LEU A 91 0.337 -11.055 -21.757 1.00 40.11 N ATOM 1382 CA LEU A 91 1.655 -10.754 -21.208 1.00 52.15 C ATOM 1383 C LEU A 91 1.859 -9.248 -21.076 1.00 73.13 C ATOM 1384 O LEU A 91 1.160 -8.460 -21.712 1.00 53.21 O ATOM 1385 CB LEU A 91 2.747 -11.352 -22.097 1.00 4.05 C ATOM 1386 CG LEU A 91 3.911 -12.024 -21.368 1.00 24.22 C ATOM 1387 CD1 LEU A 91 3.408 -13.160 -20.491 1.00 14.13 C ATOM 1388 CD2 LEU A 91 4.941 -12.535 -22.365 1.00 4.31 C ATOM 0 H LEU A 91 -0.008 -10.367 -22.427 1.00 40.11 H new ATOM 0 HA LEU A 91 1.719 -11.199 -20.215 1.00 52.15 H new ATOM 0 HB2 LEU A 91 2.287 -12.085 -22.760 1.00 4.05 H new ATOM 0 HB3 LEU A 91 3.149 -10.559 -22.728 1.00 4.05 H new ATOM 0 HG LEU A 91 4.390 -11.283 -20.728 1.00 24.22 H new ATOM 0 HD11 LEU A 91 4.251 -13.626 -19.980 1.00 14.13 H new ATOM 0 HD12 LEU A 91 2.708 -12.768 -19.753 1.00 14.13 H new ATOM 0 HD13 LEU A 91 2.904 -13.902 -21.110 1.00 14.13 H new ATOM 0 HD21 LEU A 91 5.762 -13.010 -21.828 1.00 4.31 H new ATOM 0 HD22 LEU A 91 4.474 -13.261 -23.031 1.00 4.31 H new ATOM 0 HD23 LEU A 91 5.325 -11.700 -22.951 1.00 4.31 H new ATOM 1400 N GLU A 92 2.822 -8.857 -20.248 1.00 41.21 N ATOM 1401 CA GLU A 92 3.118 -7.445 -20.034 1.00 62.14 C ATOM 1402 C GLU A 92 4.181 -6.958 -21.015 1.00 51.41 C ATOM 1403 O GLU A 92 5.040 -7.726 -21.448 1.00 41.31 O ATOM 1404 CB GLU A 92 3.589 -7.212 -18.597 1.00 43.24 C ATOM 1405 CG GLU A 92 2.776 -7.967 -17.560 1.00 14.21 C ATOM 1406 CD GLU A 92 3.290 -9.374 -17.327 1.00 34.24 C ATOM 1407 OE1 GLU A 92 4.370 -9.707 -17.857 1.00 31.42 O ATOM 1408 OE2 GLU A 92 2.611 -10.142 -16.613 1.00 72.31 O ATOM 0 H GLU A 92 3.410 -9.497 -19.715 1.00 41.21 H new ATOM 0 HA GLU A 92 2.203 -6.878 -20.205 1.00 62.14 H new ATOM 0 HB2 GLU A 92 4.634 -7.509 -18.514 1.00 43.24 H new ATOM 0 HB3 GLU A 92 3.542 -6.145 -18.377 1.00 43.24 H new ATOM 0 HG2 GLU A 92 2.794 -7.417 -16.619 1.00 14.21 H new ATOM 0 HG3 GLU A 92 1.736 -8.013 -17.882 1.00 14.21 H new ATOM 1415 N ARG A 93 4.115 -5.676 -21.361 1.00 72.23 N ATOM 1416 CA ARG A 93 5.069 -5.086 -22.292 1.00 23.01 C ATOM 1417 C ARG A 93 5.295 -3.610 -21.976 1.00 72.24 C ATOM 1418 O ARG A 93 4.356 -2.818 -21.891 1.00 3.12 O ATOM 1419 CB ARG A 93 4.574 -5.241 -23.731 1.00 15.12 C ATOM 1420 CG ARG A 93 5.692 -5.291 -24.758 1.00 43.25 C ATOM 1421 CD ARG A 93 5.232 -4.764 -26.109 1.00 4.23 C ATOM 1422 NE ARG A 93 6.215 -5.018 -27.159 1.00 72.20 N ATOM 1423 CZ ARG A 93 6.385 -6.203 -27.735 1.00 22.25 C ATOM 1424 NH1 ARG A 93 5.642 -7.237 -27.364 1.00 4.14 N ATOM 1425 NH2 ARG A 93 7.300 -6.356 -28.684 1.00 11.24 N ATOM 0 H ARG A 93 3.411 -5.027 -21.010 1.00 72.23 H new ATOM 0 HA ARG A 93 6.017 -5.613 -22.183 1.00 23.01 H new ATOM 0 HB2 ARG A 93 3.982 -6.153 -23.806 1.00 15.12 H new ATOM 0 HB3 ARG A 93 3.910 -4.410 -23.969 1.00 15.12 H new ATOM 0 HG2 ARG A 93 6.538 -4.701 -24.405 1.00 43.25 H new ATOM 0 HG3 ARG A 93 6.042 -6.318 -24.867 1.00 43.25 H new ATOM 0 HD2 ARG A 93 4.285 -5.233 -26.378 1.00 4.23 H new ATOM 0 HD3 ARG A 93 5.048 -3.692 -26.036 1.00 4.23 H new ATOM 0 HE ARG A 93 6.803 -4.243 -27.467 1.00 72.20 H new ATOM 0 HH11 ARG A 93 4.938 -7.124 -26.635 1.00 4.14 H new ATOM 0 HH12 ARG A 93 5.775 -8.146 -27.808 1.00 4.14 H new ATOM 0 HH21 ARG A 93 7.874 -5.563 -28.972 1.00 11.24 H new ATOM 0 HH22 ARG A 93 7.430 -7.266 -29.125 1.00 11.24 H new ATOM 1439 N PRO A 94 6.569 -3.231 -21.799 1.00 0.24 N ATOM 1440 CA PRO A 94 6.948 -1.849 -21.490 1.00 13.22 C ATOM 1441 C PRO A 94 6.731 -0.910 -22.672 1.00 34.32 C ATOM 1442 O PRO A 94 7.579 -0.807 -23.558 1.00 54.32 O ATOM 1443 CB PRO A 94 8.438 -1.955 -21.158 1.00 63.12 C ATOM 1444 CG PRO A 94 8.902 -3.170 -21.885 1.00 23.01 C ATOM 1445 CD PRO A 94 7.738 -4.122 -21.886 1.00 2.22 C ATOM 0 HA PRO A 94 6.346 -1.433 -20.682 1.00 13.22 H new ATOM 0 HB2 PRO A 94 8.980 -1.067 -21.484 1.00 63.12 H new ATOM 0 HB3 PRO A 94 8.599 -2.051 -20.084 1.00 63.12 H new ATOM 0 HG2 PRO A 94 9.206 -2.924 -22.903 1.00 23.01 H new ATOM 0 HG3 PRO A 94 9.768 -3.613 -21.392 1.00 23.01 H new ATOM 0 HD2 PRO A 94 7.715 -4.728 -22.792 1.00 2.22 H new ATOM 0 HD3 PRO A 94 7.782 -4.811 -21.043 1.00 2.22 H new ATOM 1453 N ARG A 95 5.590 -0.228 -22.678 1.00 70.21 N ATOM 1454 CA ARG A 95 5.262 0.701 -23.752 1.00 54.42 C ATOM 1455 C ARG A 95 5.521 2.142 -23.322 1.00 43.34 C ATOM 1456 O ARG A 95 5.106 2.563 -22.243 1.00 13.11 O ATOM 1457 CB ARG A 95 3.798 0.538 -24.168 1.00 24.34 C ATOM 1458 CG ARG A 95 3.605 -0.373 -25.369 1.00 52.54 C ATOM 1459 CD ARG A 95 3.780 0.385 -26.676 1.00 43.11 C ATOM 1460 NE ARG A 95 2.737 1.388 -26.872 1.00 33.20 N ATOM 1461 CZ ARG A 95 2.555 2.047 -28.011 1.00 21.20 C ATOM 1462 NH1 ARG A 95 3.343 1.810 -29.051 1.00 22.04 N ATOM 1463 NH2 ARG A 95 1.583 2.945 -28.112 1.00 23.42 N ATOM 0 H ARG A 95 4.878 -0.302 -21.951 1.00 70.21 H new ATOM 0 HA ARG A 95 5.903 0.472 -24.604 1.00 54.42 H new ATOM 0 HB2 ARG A 95 3.232 0.140 -23.326 1.00 24.34 H new ATOM 0 HB3 ARG A 95 3.382 1.519 -24.396 1.00 24.34 H new ATOM 0 HG2 ARG A 95 4.321 -1.193 -25.324 1.00 52.54 H new ATOM 0 HG3 ARG A 95 2.610 -0.817 -25.335 1.00 52.54 H new ATOM 0 HD2 ARG A 95 4.756 0.871 -26.685 1.00 43.11 H new ATOM 0 HD3 ARG A 95 3.766 -0.319 -27.508 1.00 43.11 H new ATOM 0 HE ARG A 95 2.114 1.594 -26.091 1.00 33.20 H new ATOM 0 HH11 ARG A 95 4.091 1.120 -28.977 1.00 22.04 H new ATOM 0 HH12 ARG A 95 3.201 2.317 -29.924 1.00 22.04 H new ATOM 0 HH21 ARG A 95 0.975 3.130 -27.314 1.00 23.42 H new ATOM 0 HH22 ARG A 95 1.444 3.450 -28.987 1.00 23.42 H new ATOM 1477 N SER A 96 6.212 2.893 -24.175 1.00 13.34 N ATOM 1478 CA SER A 96 6.531 4.286 -23.881 1.00 72.44 C ATOM 1479 C SER A 96 5.692 5.228 -24.740 1.00 31.53 C ATOM 1480 O SER A 96 5.706 5.145 -25.969 1.00 30.14 O ATOM 1481 CB SER A 96 8.019 4.551 -24.118 1.00 72.42 C ATOM 1482 OG SER A 96 8.635 3.453 -24.769 1.00 22.13 O ATOM 0 H SER A 96 6.561 2.561 -25.074 1.00 13.34 H new ATOM 0 HA SER A 96 6.298 4.473 -22.833 1.00 72.44 H new ATOM 0 HB2 SER A 96 8.140 5.450 -24.722 1.00 72.42 H new ATOM 0 HB3 SER A 96 8.515 4.738 -23.165 1.00 72.42 H new ATOM 0 HG SER A 96 9.585 3.648 -24.911 1.00 22.13 H new ATOM 1488 N LEU A 97 4.962 6.123 -24.084 1.00 32.32 N ATOM 1489 CA LEU A 97 4.116 7.082 -24.785 1.00 74.13 C ATOM 1490 C LEU A 97 4.802 8.440 -24.889 1.00 64.14 C ATOM 1491 O LEU A 97 4.877 9.187 -23.913 1.00 52.24 O ATOM 1492 CB LEU A 97 2.774 7.230 -24.066 1.00 31.04 C ATOM 1493 CG LEU A 97 2.166 5.943 -23.507 1.00 23.11 C ATOM 1494 CD1 LEU A 97 2.680 5.677 -22.101 1.00 23.54 C ATOM 1495 CD2 LEU A 97 0.647 6.023 -23.515 1.00 13.21 C ATOM 0 H LEU A 97 4.939 6.205 -23.068 1.00 32.32 H new ATOM 0 HA LEU A 97 3.942 6.705 -25.793 1.00 74.13 H new ATOM 0 HB2 LEU A 97 2.901 7.935 -23.244 1.00 31.04 H new ATOM 0 HB3 LEU A 97 2.060 7.674 -24.760 1.00 31.04 H new ATOM 0 HG LEU A 97 2.469 5.114 -24.146 1.00 23.11 H new ATOM 0 HD11 LEU A 97 2.237 4.757 -21.719 1.00 23.54 H new ATOM 0 HD12 LEU A 97 3.765 5.575 -22.124 1.00 23.54 H new ATOM 0 HD13 LEU A 97 2.407 6.508 -21.451 1.00 23.54 H new ATOM 0 HD21 LEU A 97 0.232 5.098 -23.114 1.00 13.21 H new ATOM 0 HD22 LEU A 97 0.324 6.863 -22.900 1.00 13.21 H new ATOM 0 HD23 LEU A 97 0.296 6.165 -24.537 1.00 13.21 H new ATOM 1507 N THR A 98 5.302 8.755 -26.080 1.00 61.14 N ATOM 1508 CA THR A 98 5.982 10.023 -26.313 1.00 53.00 C ATOM 1509 C THR A 98 4.983 11.137 -26.606 1.00 34.42 C ATOM 1510 O THR A 98 3.920 10.896 -27.181 1.00 43.21 O ATOM 1511 CB THR A 98 6.977 9.921 -27.484 1.00 72.53 C ATOM 1512 OG1 THR A 98 6.269 9.713 -28.712 1.00 21.54 O ATOM 1513 CG2 THR A 98 7.960 8.782 -27.261 1.00 22.42 C ATOM 0 H THR A 98 5.249 8.149 -26.899 1.00 61.14 H new ATOM 0 HA THR A 98 6.529 10.260 -25.401 1.00 53.00 H new ATOM 0 HB THR A 98 7.535 10.856 -27.540 1.00 72.53 H new ATOM 0 HG1 THR A 98 6.909 9.651 -29.452 1.00 21.54 H new ATOM 0 HG21 THR A 98 8.653 8.730 -28.101 1.00 22.42 H new ATOM 0 HG22 THR A 98 8.518 8.958 -26.341 1.00 22.42 H new ATOM 0 HG23 THR A 98 7.415 7.841 -27.181 1.00 22.42 H new ATOM 1521 N LEU A 99 5.329 12.356 -26.208 1.00 22.55 N ATOM 1522 CA LEU A 99 4.462 13.508 -26.428 1.00 63.12 C ATOM 1523 C LEU A 99 4.022 13.587 -27.887 1.00 20.35 C ATOM 1524 O LEU A 99 4.846 13.741 -28.788 1.00 23.00 O ATOM 1525 CB LEU A 99 5.184 14.797 -26.031 1.00 15.01 C ATOM 1526 CG LEU A 99 4.314 15.885 -25.400 1.00 3.30 C ATOM 1527 CD1 LEU A 99 4.997 16.469 -24.173 1.00 11.12 C ATOM 1528 CD2 LEU A 99 4.009 16.979 -26.414 1.00 22.35 C ATOM 0 H LEU A 99 6.204 12.572 -25.731 1.00 22.55 H new ATOM 0 HA LEU A 99 3.575 13.389 -25.806 1.00 63.12 H new ATOM 0 HB2 LEU A 99 5.979 14.543 -25.330 1.00 15.01 H new ATOM 0 HB3 LEU A 99 5.662 15.211 -26.919 1.00 15.01 H new ATOM 0 HG LEU A 99 3.372 15.434 -25.087 1.00 3.30 H new ATOM 0 HD11 LEU A 99 4.364 17.242 -23.737 1.00 11.12 H new ATOM 0 HD12 LEU A 99 5.164 15.680 -23.440 1.00 11.12 H new ATOM 0 HD13 LEU A 99 5.954 16.904 -24.462 1.00 11.12 H new ATOM 0 HD21 LEU A 99 3.389 17.745 -25.948 1.00 22.35 H new ATOM 0 HD22 LEU A 99 4.941 17.427 -26.758 1.00 22.35 H new ATOM 0 HD23 LEU A 99 3.478 16.550 -27.264 1.00 22.35 H new ATOM 1540 N LYS A 100 2.717 13.482 -28.111 1.00 73.05 N ATOM 1541 CA LYS A 100 2.165 13.545 -29.460 1.00 33.24 C ATOM 1542 C LYS A 100 2.821 12.508 -30.365 1.00 61.41 C ATOM 1543 O LYS A 100 3.285 12.830 -31.458 1.00 53.33 O ATOM 1544 CB LYS A 100 2.357 14.945 -30.047 1.00 31.12 C ATOM 1545 CG LYS A 100 1.431 15.248 -31.212 1.00 11.10 C ATOM 1546 CD LYS A 100 1.768 16.581 -31.860 1.00 20.50 C ATOM 1547 CE LYS A 100 2.983 16.467 -32.769 1.00 34.04 C ATOM 1548 NZ LYS A 100 2.594 16.244 -34.189 1.00 30.03 N ATOM 0 H LYS A 100 2.021 13.353 -27.376 1.00 73.05 H new ATOM 0 HA LYS A 100 1.099 13.326 -29.400 1.00 33.24 H new ATOM 0 HB2 LYS A 100 2.194 15.684 -29.263 1.00 31.12 H new ATOM 0 HB3 LYS A 100 3.390 15.053 -30.377 1.00 31.12 H new ATOM 0 HG2 LYS A 100 1.506 14.453 -31.954 1.00 11.10 H new ATOM 0 HG3 LYS A 100 0.398 15.263 -30.863 1.00 11.10 H new ATOM 0 HD2 LYS A 100 0.913 16.933 -32.436 1.00 20.50 H new ATOM 0 HD3 LYS A 100 1.959 17.325 -31.087 1.00 20.50 H new ATOM 0 HE2 LYS A 100 3.579 17.376 -32.694 1.00 34.04 H new ATOM 0 HE3 LYS A 100 3.613 15.644 -32.432 1.00 34.04 H new ATOM 0 HZ1 LYS A 100 3.449 16.172 -34.776 1.00 30.03 H new ATOM 0 HZ2 LYS A 100 2.047 15.363 -34.265 1.00 30.03 H new ATOM 0 HZ3 LYS A 100 2.014 17.041 -34.519 1.00 30.03 H new ATOM 1562 N GLU A 101 2.855 11.262 -29.903 1.00 21.31 N ATOM 1563 CA GLU A 101 3.454 10.178 -30.673 1.00 4.01 C ATOM 1564 C GLU A 101 2.802 10.062 -32.047 1.00 72.34 C ATOM 1565 O GLU A 101 1.691 10.548 -32.262 1.00 44.02 O ATOM 1566 CB GLU A 101 3.321 8.853 -29.919 1.00 45.03 C ATOM 1567 CG GLU A 101 1.907 8.299 -29.908 1.00 32.35 C ATOM 1568 CD GLU A 101 1.682 7.298 -28.791 1.00 72.40 C ATOM 1569 OE1 GLU A 101 2.655 6.621 -28.397 1.00 12.35 O ATOM 1570 OE2 GLU A 101 0.534 7.190 -28.312 1.00 54.31 O ATOM 0 H GLU A 101 2.475 10.978 -29.000 1.00 21.31 H new ATOM 0 HA GLU A 101 4.511 10.405 -30.810 1.00 4.01 H new ATOM 0 HB2 GLU A 101 3.987 8.118 -30.372 1.00 45.03 H new ATOM 0 HB3 GLU A 101 3.655 8.994 -28.891 1.00 45.03 H new ATOM 0 HG2 GLU A 101 1.199 9.121 -29.802 1.00 32.35 H new ATOM 0 HG3 GLU A 101 1.700 7.822 -30.866 1.00 32.35 H new ATOM 1577 N ARG A 102 3.500 9.414 -32.974 1.00 41.45 N ATOM 1578 CA ARG A 102 2.990 9.235 -34.329 1.00 4.44 C ATOM 1579 C ARG A 102 1.620 8.564 -34.309 1.00 42.05 C ATOM 1580 O ARG A 102 1.131 8.159 -33.255 1.00 62.30 O ATOM 1581 CB ARG A 102 3.968 8.400 -35.158 1.00 53.41 C ATOM 1582 CG ARG A 102 5.040 9.227 -35.850 1.00 34.41 C ATOM 1583 CD ARG A 102 6.204 9.522 -34.917 1.00 53.32 C ATOM 1584 NE ARG A 102 6.923 8.309 -34.538 1.00 43.33 N ATOM 1585 CZ ARG A 102 7.746 7.658 -35.353 1.00 50.10 C ATOM 1586 NH1 ARG A 102 7.952 8.102 -36.585 1.00 64.53 N ATOM 1587 NH2 ARG A 102 8.365 6.561 -34.935 1.00 54.12 N ATOM 0 H ARG A 102 4.420 9.004 -32.812 1.00 41.45 H new ATOM 0 HA ARG A 102 2.886 10.219 -34.785 1.00 4.44 H new ATOM 0 HB2 ARG A 102 4.448 7.668 -34.509 1.00 53.41 H new ATOM 0 HB3 ARG A 102 3.410 7.842 -35.910 1.00 53.41 H new ATOM 0 HG2 ARG A 102 5.403 8.693 -36.728 1.00 34.41 H new ATOM 0 HG3 ARG A 102 4.608 10.164 -36.202 1.00 34.41 H new ATOM 0 HD2 ARG A 102 6.892 10.214 -35.403 1.00 53.32 H new ATOM 0 HD3 ARG A 102 5.833 10.018 -34.020 1.00 53.32 H new ATOM 0 HE ARG A 102 6.786 7.941 -33.596 1.00 43.33 H new ATOM 0 HH11 ARG A 102 7.478 8.945 -36.909 1.00 64.53 H new ATOM 0 HH12 ARG A 102 8.584 7.600 -37.209 1.00 64.53 H new ATOM 0 HH21 ARG A 102 8.209 6.217 -33.987 1.00 54.12 H new ATOM 0 HH22 ARG A 102 8.997 6.062 -35.561 1.00 54.12 H new ATOM 1601 N SER A 103 1.006 8.451 -35.483 1.00 20.42 N ATOM 1602 CA SER A 103 -0.309 7.833 -35.600 1.00 75.44 C ATOM 1603 C SER A 103 -0.194 6.312 -35.633 1.00 32.44 C ATOM 1604 O SER A 103 -0.593 5.667 -36.604 1.00 13.43 O ATOM 1605 CB SER A 103 -1.018 8.329 -36.862 1.00 73.52 C ATOM 1606 OG SER A 103 -2.362 7.880 -36.902 1.00 60.10 O ATOM 0 H SER A 103 1.398 8.779 -36.366 1.00 20.42 H new ATOM 0 HA SER A 103 -0.895 8.117 -34.726 1.00 75.44 H new ATOM 0 HB2 SER A 103 -0.994 9.418 -36.892 1.00 73.52 H new ATOM 0 HB3 SER A 103 -0.486 7.974 -37.745 1.00 73.52 H new ATOM 0 HG SER A 103 -2.379 6.901 -36.932 1.00 60.10 H new ATOM 1612 N LEU A 104 0.354 5.744 -34.564 1.00 63.43 N ATOM 1613 CA LEU A 104 0.523 4.298 -34.468 1.00 60.23 C ATOM 1614 C LEU A 104 1.342 3.766 -35.640 1.00 5.21 C ATOM 1615 O LEU A 104 0.954 2.798 -36.292 1.00 22.53 O ATOM 1616 CB LEU A 104 -0.841 3.607 -34.430 1.00 71.32 C ATOM 1617 CG LEU A 104 -0.861 2.193 -33.849 1.00 31.41 C ATOM 1618 CD1 LEU A 104 -0.974 2.240 -32.333 1.00 54.01 C ATOM 1619 CD2 LEU A 104 -2.005 1.387 -34.446 1.00 75.41 C ATOM 0 H LEU A 104 0.689 6.262 -33.752 1.00 63.43 H new ATOM 0 HA LEU A 104 1.060 4.081 -33.545 1.00 60.23 H new ATOM 0 HB2 LEU A 104 -1.524 4.227 -33.849 1.00 71.32 H new ATOM 0 HB3 LEU A 104 -1.234 3.566 -35.446 1.00 71.32 H new ATOM 0 HG LEU A 104 0.077 1.702 -34.108 1.00 31.41 H new ATOM 0 HD11 LEU A 104 -0.987 1.224 -31.937 1.00 54.01 H new ATOM 0 HD12 LEU A 104 -0.121 2.779 -31.921 1.00 54.01 H new ATOM 0 HD13 LEU A 104 -1.895 2.750 -32.052 1.00 54.01 H new ATOM 0 HD21 LEU A 104 -2.004 0.383 -34.021 1.00 75.41 H new ATOM 0 HD22 LEU A 104 -2.952 1.876 -34.219 1.00 75.41 H new ATOM 0 HD23 LEU A 104 -1.880 1.323 -35.527 1.00 75.41 H new ATOM 1631 N GLU A 105 2.479 4.406 -35.899 1.00 74.14 N ATOM 1632 CA GLU A 105 3.353 3.996 -36.992 1.00 22.33 C ATOM 1633 C GLU A 105 4.610 3.316 -36.456 1.00 43.33 C ATOM 1634 O GLU A 105 5.729 3.761 -36.716 1.00 52.34 O ATOM 1635 CB GLU A 105 3.738 5.204 -37.847 1.00 44.25 C ATOM 1636 CG GLU A 105 2.629 5.671 -38.775 1.00 43.50 C ATOM 1637 CD GLU A 105 2.572 4.874 -40.064 1.00 1.52 C ATOM 1638 OE1 GLU A 105 2.651 3.630 -39.997 1.00 11.15 O ATOM 1639 OE2 GLU A 105 2.448 5.496 -41.140 1.00 0.11 O ATOM 0 H GLU A 105 2.815 5.209 -35.368 1.00 74.14 H new ATOM 0 HA GLU A 105 2.810 3.282 -37.610 1.00 22.33 H new ATOM 0 HB2 GLU A 105 4.022 6.027 -37.191 1.00 44.25 H new ATOM 0 HB3 GLU A 105 4.616 4.953 -38.442 1.00 44.25 H new ATOM 0 HG2 GLU A 105 1.672 5.591 -38.260 1.00 43.50 H new ATOM 0 HG3 GLU A 105 2.777 6.725 -39.010 1.00 43.50 H new ATOM 1646 N HIS A 106 4.418 2.236 -35.706 1.00 62.22 N ATOM 1647 CA HIS A 106 5.536 1.494 -35.133 1.00 40.15 C ATOM 1648 C HIS A 106 5.615 0.089 -35.723 1.00 14.02 C ATOM 1649 O HIS A 106 4.840 -0.794 -35.354 1.00 32.31 O ATOM 1650 CB HIS A 106 5.397 1.415 -33.613 1.00 23.11 C ATOM 1651 CG HIS A 106 6.000 2.583 -32.895 1.00 12.11 C ATOM 1652 ND1 HIS A 106 6.707 2.460 -31.718 1.00 30.34 N ATOM 1653 CD2 HIS A 106 5.999 3.903 -33.195 1.00 1.01 C ATOM 1654 CE1 HIS A 106 7.114 3.653 -31.324 1.00 14.24 C ATOM 1655 NE2 HIS A 106 6.697 4.546 -32.203 1.00 45.51 N ATOM 0 H HIS A 106 3.499 1.855 -35.481 1.00 62.22 H new ATOM 0 HA HIS A 106 6.456 2.024 -35.379 1.00 40.15 H new ATOM 0 HB2 HIS A 106 4.340 1.347 -33.356 1.00 23.11 H new ATOM 0 HB3 HIS A 106 5.870 0.499 -33.260 1.00 23.11 H new ATOM 0 HD2 HIS A 106 5.536 4.364 -34.055 1.00 1.01 H new ATOM 0 HE1 HIS A 106 7.690 3.863 -30.435 1.00 14.24 H new ATOM 0 HE2 HIS A 106 6.866 5.551 -32.153 1.00 45.51 H new ATOM 1663 N HIS A 107 6.555 -0.111 -36.641 1.00 53.32 N ATOM 1664 CA HIS A 107 6.734 -1.409 -37.282 1.00 1.31 C ATOM 1665 C HIS A 107 7.961 -2.125 -36.724 1.00 54.25 C ATOM 1666 O HIS A 107 8.037 -3.354 -36.745 1.00 3.31 O ATOM 1667 CB HIS A 107 6.872 -1.239 -38.795 1.00 72.42 C ATOM 1668 CG HIS A 107 8.144 -0.566 -39.209 1.00 52.32 C ATOM 1669 ND1 HIS A 107 8.285 0.805 -39.269 1.00 74.31 N ATOM 1670 CD2 HIS A 107 9.338 -1.082 -39.584 1.00 12.25 C ATOM 1671 CE1 HIS A 107 9.510 1.102 -39.664 1.00 55.41 C ATOM 1672 NE2 HIS A 107 10.169 -0.025 -39.861 1.00 43.21 N ATOM 0 H HIS A 107 7.204 0.609 -36.958 1.00 53.32 H new ATOM 0 HA HIS A 107 5.854 -2.016 -37.071 1.00 1.31 H new ATOM 0 HB2 HIS A 107 6.819 -2.219 -39.269 1.00 72.42 H new ATOM 0 HB3 HIS A 107 6.027 -0.659 -39.166 1.00 72.42 H new ATOM 0 HD2 HIS A 107 9.590 -2.130 -39.652 1.00 12.25 H new ATOM 0 HE1 HIS A 107 9.905 2.097 -39.802 1.00 55.41 H new ATOM 0 HE2 HIS A 107 11.139 -0.098 -40.169 1.00 43.21 H new ATOM 1680 N HIS A 108 8.918 -1.348 -36.228 1.00 24.43 N ATOM 1681 CA HIS A 108 10.142 -1.909 -35.665 1.00 13.22 C ATOM 1682 C HIS A 108 9.822 -2.904 -34.553 1.00 42.21 C ATOM 1683 O HIS A 108 10.497 -3.923 -34.406 1.00 20.35 O ATOM 1684 CB HIS A 108 11.037 -0.793 -35.125 1.00 24.50 C ATOM 1685 CG HIS A 108 12.452 -1.224 -34.886 1.00 40.14 C ATOM 1686 ND1 HIS A 108 13.277 -1.686 -35.890 1.00 24.03 N ATOM 1687 CD2 HIS A 108 13.187 -1.259 -33.750 1.00 42.24 C ATOM 1688 CE1 HIS A 108 14.459 -1.988 -35.381 1.00 35.21 C ATOM 1689 NE2 HIS A 108 14.430 -1.738 -34.084 1.00 41.43 N ATOM 0 H HIS A 108 8.870 -0.329 -36.204 1.00 24.43 H new ATOM 0 HA HIS A 108 10.670 -2.436 -36.459 1.00 13.22 H new ATOM 0 HB2 HIS A 108 11.033 0.038 -35.830 1.00 24.50 H new ATOM 0 HB3 HIS A 108 10.616 -0.421 -34.191 1.00 24.50 H new ATOM 0 HD2 HIS A 108 12.857 -0.965 -32.764 1.00 42.24 H new ATOM 0 HE1 HIS A 108 15.304 -2.373 -35.932 1.00 35.21 H new ATOM 0 HE2 HIS A 108 15.205 -1.878 -33.436 1.00 41.43 H new ATOM 1697 N HIS A 109 8.790 -2.601 -33.773 1.00 14.52 N ATOM 1698 CA HIS A 109 8.381 -3.468 -32.674 1.00 71.41 C ATOM 1699 C HIS A 109 7.422 -4.549 -33.163 1.00 71.55 C ATOM 1700 O HIS A 109 7.366 -5.644 -32.602 1.00 73.34 O ATOM 1701 CB HIS A 109 7.720 -2.647 -31.566 1.00 71.45 C ATOM 1702 CG HIS A 109 8.564 -1.510 -31.079 1.00 21.54 C ATOM 1703 ND1 HIS A 109 9.400 -1.608 -29.986 1.00 71.32 N ATOM 1704 CD2 HIS A 109 8.700 -0.246 -31.542 1.00 53.01 C ATOM 1705 CE1 HIS A 109 10.012 -0.453 -29.798 1.00 13.22 C ATOM 1706 NE2 HIS A 109 9.605 0.391 -30.729 1.00 73.10 N ATOM 0 H HIS A 109 8.221 -1.761 -33.881 1.00 14.52 H new ATOM 0 HA HIS A 109 9.273 -3.951 -32.275 1.00 71.41 H new ATOM 0 HB2 HIS A 109 6.772 -2.254 -31.933 1.00 71.45 H new ATOM 0 HB3 HIS A 109 7.490 -3.303 -30.727 1.00 71.45 H new ATOM 0 HD2 HIS A 109 8.191 0.182 -32.393 1.00 53.01 H new ATOM 0 HE1 HIS A 109 10.724 -0.235 -29.016 1.00 13.22 H new ATOM 0 HE2 HIS A 109 9.913 1.358 -30.828 1.00 73.10 H new ATOM 1714 N HIS A 110 6.668 -4.235 -34.212 1.00 44.34 N ATOM 1715 CA HIS A 110 5.711 -5.179 -34.777 1.00 63.41 C ATOM 1716 C HIS A 110 6.091 -5.547 -36.209 1.00 13.15 C ATOM 1717 O HIS A 110 5.501 -5.046 -37.166 1.00 54.32 O ATOM 1718 CB HIS A 110 4.301 -4.589 -34.746 1.00 63.14 C ATOM 1719 CG HIS A 110 3.219 -5.615 -34.886 1.00 62.12 C ATOM 1720 ND1 HIS A 110 2.040 -5.379 -35.561 1.00 44.44 N ATOM 1721 CD2 HIS A 110 3.143 -6.889 -34.434 1.00 41.23 C ATOM 1722 CE1 HIS A 110 1.285 -6.462 -35.517 1.00 43.43 C ATOM 1723 NE2 HIS A 110 1.932 -7.393 -34.839 1.00 53.14 N ATOM 0 H HIS A 110 6.702 -3.333 -34.688 1.00 44.34 H new ATOM 0 HA HIS A 110 5.731 -6.085 -34.171 1.00 63.41 H new ATOM 0 HB2 HIS A 110 4.162 -4.052 -33.808 1.00 63.14 H new ATOM 0 HB3 HIS A 110 4.204 -3.859 -35.549 1.00 63.14 H new ATOM 0 HD2 HIS A 110 3.895 -7.411 -33.861 1.00 41.23 H new ATOM 0 HE1 HIS A 110 0.306 -6.568 -35.960 1.00 43.43 H new ATOM 0 HE2 HIS A 110 1.588 -8.334 -34.647 1.00 53.14 H new ATOM 1731 N HIS A 111 7.080 -6.424 -36.347 1.00 33.31 N ATOM 1732 CA HIS A 111 7.538 -6.859 -37.662 1.00 11.42 C ATOM 1733 C HIS A 111 6.377 -7.400 -38.490 1.00 71.32 C ATOM 1734 O HIS A 111 6.437 -7.422 -39.720 1.00 72.50 O ATOM 1735 CB HIS A 111 8.621 -7.928 -37.520 1.00 22.30 C ATOM 1736 CG HIS A 111 8.174 -9.137 -36.757 1.00 15.44 C ATOM 1737 ND1 HIS A 111 7.199 -10.038 -37.019 1.00 15.10 N flip ATOM 1738 CD2 HIS A 111 8.749 -9.531 -35.567 1.00 32.42 C flip ATOM 1739 CE1 HIS A 111 7.203 -10.953 -35.994 1.00 61.03 C flip ATOM 1740 NE2 HIS A 111 8.148 -10.624 -35.131 1.00 45.50 N flip ATOM 0 H HIS A 111 7.580 -6.847 -35.565 1.00 33.31 H new ATOM 0 HA HIS A 111 7.957 -5.995 -38.178 1.00 11.42 H new ATOM 0 HB2 HIS A 111 8.948 -8.236 -38.513 1.00 22.30 H new ATOM 0 HB3 HIS A 111 9.486 -7.493 -37.020 1.00 22.30 H new ATOM 0 HD2 HIS A 111 9.563 -9.025 -35.069 1.00 32.42 H new ATOM 0 HE1 HIS A 111 6.542 -11.802 -35.908 1.00 61.03 H new ATOM 0 HE2 HIS A 111 8.375 -11.128 -34.274 1.00 45.50 H new TER 1748 HIS A 111