USER MOD reduce.3.24.130724 H: found=0, std=0, add=780, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 781 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 28 LYS NZ :NH3+ 146:sc= 0.128 (180deg=0) USER MOD Set 1.2: A 102 THR OG1 : rot 180:sc= 0.184 USER MOD Set 2.1: A 40 SER OG : rot 31:sc= -0.0207 USER MOD Set 2.2: A 87 GLN :FLIP amide:sc= -0.884 F(o=-1.6,f=-0.9) USER MOD Single : A 17 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.011) USER MOD Single : A 21 LYS NZ :NH3+ -108:sc= -0.0594 (180deg=-0.884) USER MOD Single : A 24 ASN : amide:sc= -1.3 K(o=-1.3,f=-3.4!) USER MOD Single : A 26 GLN : amide:sc= -1.02 K(o=-1,f=-8.7!) USER MOD Single : A 29 LYS NZ :NH3+ 171:sc= 0.166 (180deg=0.0441) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.522 USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.475 USER MOD Single : A 48 SER OG : rot 180:sc= 0.0467 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN :FLIP amide:sc= -0.72 F(o=-2.2,f=-0.72) USER MOD Single : A 64 GLN : amide:sc= -1.7 X(o=-1.7,f=-1.2) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= -0.202 X(o=-0.2,f=0) USER MOD Single : A 85 LYS NZ :NH3+ -117:sc= -6.95! (180deg=-12.4!) USER MOD Single : A 86 SER OG : rot 180:sc= -0.127 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 42:sc= 0.461 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 MET CE :methyl -134:sc= -0.607 (180deg=-3.99!) USER MOD Single : A 104 SER OG : rot -6:sc= 0.35! USER MOD Single : A 110 GLN : amide:sc= -0.206 K(o=-0.21,f=-1) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 17 -14.890 -7.219 -19.738 1.00 0.00 N ATOM 2 CA LYS A 17 -13.552 -7.277 -19.162 1.00 0.00 C ATOM 3 C LYS A 17 -13.590 -7.862 -17.754 1.00 0.00 C ATOM 4 O LYS A 17 -14.664 -8.085 -17.193 1.00 0.00 O ATOM 5 CB LYS A 17 -12.928 -5.881 -19.130 1.00 0.00 C ATOM 6 CG LYS A 17 -12.172 -5.522 -20.400 1.00 0.00 C ATOM 7 CD LYS A 17 -10.801 -4.941 -20.092 1.00 0.00 C ATOM 8 CE LYS A 17 -10.810 -3.423 -20.168 1.00 0.00 C ATOM 9 NZ LYS A 17 -11.726 -2.821 -19.160 1.00 0.00 N ATOM 0 HA LYS A 17 -12.941 -7.927 -19.789 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -13.714 -5.144 -18.965 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -12.247 -5.816 -18.281 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -12.060 -6.411 -21.020 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -12.751 -4.802 -20.977 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -10.487 -5.255 -19.096 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -10.070 -5.337 -20.797 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -9.799 -3.046 -20.011 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -11.115 -3.112 -21.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -11.665 -1.784 -19.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -12.703 -3.120 -19.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -11.451 -3.138 -18.208 1.00 0.00 H new ATOM 23 N ARG A 18 -12.414 -8.108 -17.189 1.00 0.00 N ATOM 24 CA ARG A 18 -12.312 -8.668 -15.846 1.00 0.00 C ATOM 25 C ARG A 18 -12.975 -7.751 -14.822 1.00 0.00 C ATOM 26 O ARG A 18 -13.568 -6.733 -15.180 1.00 0.00 O ATOM 27 CB ARG A 18 -10.844 -8.892 -15.475 1.00 0.00 C ATOM 28 CG ARG A 18 -10.311 -10.253 -15.902 1.00 0.00 C ATOM 29 CD ARG A 18 -9.130 -10.123 -16.853 1.00 0.00 C ATOM 30 NE ARG A 18 -7.890 -10.604 -16.252 1.00 0.00 N ATOM 31 CZ ARG A 18 -6.676 -10.294 -16.704 1.00 0.00 C ATOM 32 NH1 ARG A 18 -6.538 -9.502 -17.760 1.00 0.00 N ATOM 33 NH2 ARG A 18 -5.600 -10.776 -16.099 1.00 0.00 N ATOM 0 H ARG A 18 -11.517 -7.929 -17.640 1.00 0.00 H new ATOM 0 HA ARG A 18 -12.832 -9.626 -15.838 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -10.238 -8.112 -15.936 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -10.730 -8.788 -14.396 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -10.008 -10.818 -15.020 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -11.107 -10.820 -16.385 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -9.334 -10.686 -17.764 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -9.011 -9.079 -17.143 1.00 0.00 H new ATOM 0 HE ARG A 18 -7.957 -11.214 -15.437 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -7.363 -9.128 -18.229 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -5.607 -9.267 -18.103 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -5.701 -11.385 -15.287 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -4.671 -10.538 -16.446 1.00 0.00 H new ATOM 47 N VAL A 19 -12.872 -8.117 -13.548 1.00 0.00 N ATOM 48 CA VAL A 19 -13.461 -7.325 -12.474 1.00 0.00 C ATOM 49 C VAL A 19 -12.395 -6.623 -11.649 1.00 0.00 C ATOM 50 O VAL A 19 -12.685 -6.004 -10.625 1.00 0.00 O ATOM 51 CB VAL A 19 -14.311 -8.200 -11.543 1.00 0.00 C ATOM 52 CG1 VAL A 19 -15.077 -7.341 -10.549 1.00 0.00 C ATOM 53 CG2 VAL A 19 -15.257 -9.079 -12.346 1.00 0.00 C ATOM 0 H VAL A 19 -12.386 -8.957 -13.234 1.00 0.00 H new ATOM 0 HA VAL A 19 -14.095 -6.576 -12.949 1.00 0.00 H new ATOM 0 HB VAL A 19 -13.642 -8.851 -10.980 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -15.673 -7.981 -9.899 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -14.373 -6.766 -9.947 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -15.734 -6.659 -11.088 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -15.850 -9.691 -11.666 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -15.920 -8.451 -12.941 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -14.680 -9.726 -13.007 1.00 0.00 H new ATOM 63 N GLY A 20 -11.168 -6.728 -12.108 1.00 0.00 N ATOM 64 CA GLY A 20 -10.052 -6.105 -11.421 1.00 0.00 C ATOM 65 C GLY A 20 -9.027 -5.541 -12.383 1.00 0.00 C ATOM 66 O GLY A 20 -8.758 -6.131 -13.430 1.00 0.00 O ATOM 0 H GLY A 20 -10.915 -7.238 -12.954 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -10.423 -5.306 -10.780 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -9.573 -6.838 -10.772 1.00 0.00 H new ATOM 70 N LYS A 21 -8.453 -4.397 -12.033 1.00 0.00 N ATOM 71 CA LYS A 21 -7.453 -3.756 -12.877 1.00 0.00 C ATOM 72 C LYS A 21 -6.334 -3.150 -12.035 1.00 0.00 C ATOM 73 O LYS A 21 -6.334 -3.267 -10.810 1.00 0.00 O ATOM 74 CB LYS A 21 -8.103 -2.676 -13.750 1.00 0.00 C ATOM 75 CG LYS A 21 -8.454 -1.400 -12.998 1.00 0.00 C ATOM 76 CD LYS A 21 -9.378 -1.679 -11.826 1.00 0.00 C ATOM 77 CE LYS A 21 -10.288 -0.495 -11.539 1.00 0.00 C ATOM 78 NZ LYS A 21 -11.522 -0.905 -10.811 1.00 0.00 N ATOM 0 H LYS A 21 -8.663 -3.894 -11.171 1.00 0.00 H new ATOM 0 HA LYS A 21 -7.019 -4.518 -13.524 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -7.426 -2.429 -14.568 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -9.010 -3.083 -14.198 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -7.541 -0.926 -12.638 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -8.931 -0.695 -13.679 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -9.983 -2.560 -12.040 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -8.785 -1.907 -10.940 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -9.747 0.244 -10.948 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -10.563 -0.013 -12.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -12.338 -0.849 -11.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -11.416 -1.882 -10.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -11.674 -0.270 -10.001 1.00 0.00 H new ATOM 92 N ARG A 22 -5.384 -2.504 -12.702 1.00 0.00 N ATOM 93 CA ARG A 22 -4.260 -1.881 -12.018 1.00 0.00 C ATOM 94 C ARG A 22 -4.185 -0.393 -12.342 1.00 0.00 C ATOM 95 O ARG A 22 -4.524 0.027 -13.448 1.00 0.00 O ATOM 96 CB ARG A 22 -2.954 -2.569 -12.413 1.00 0.00 C ATOM 97 CG ARG A 22 -1.795 -2.249 -11.485 1.00 0.00 C ATOM 98 CD ARG A 22 -0.478 -2.778 -12.029 1.00 0.00 C ATOM 99 NE ARG A 22 -0.306 -2.473 -13.449 1.00 0.00 N ATOM 100 CZ ARG A 22 -0.672 -3.289 -14.437 1.00 0.00 C ATOM 101 NH1 ARG A 22 -1.244 -4.456 -14.172 1.00 0.00 N ATOM 102 NH2 ARG A 22 -0.468 -2.932 -15.698 1.00 0.00 N ATOM 0 H ARG A 22 -5.371 -2.399 -13.716 1.00 0.00 H new ATOM 0 HA ARG A 22 -4.410 -1.993 -10.944 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -3.111 -3.648 -12.427 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -2.689 -2.272 -13.428 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -1.725 -1.170 -11.348 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -1.984 -2.683 -10.503 1.00 0.00 H new ATOM 0 HD2 ARG A 22 0.347 -2.345 -11.463 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -0.433 -3.857 -11.883 1.00 0.00 H new ATOM 0 HE ARG A 22 0.120 -1.581 -13.699 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -1.407 -4.736 -13.205 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -1.521 -5.073 -14.935 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -0.032 -2.035 -15.910 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -0.747 -3.555 -16.456 1.00 0.00 H new ATOM 116 N LEU A 23 -3.743 0.400 -11.372 1.00 0.00 N ATOM 117 CA LEU A 23 -3.632 1.842 -11.560 1.00 0.00 C ATOM 118 C LEU A 23 -2.338 2.378 -10.955 1.00 0.00 C ATOM 119 O LEU A 23 -1.801 1.810 -10.004 1.00 0.00 O ATOM 120 CB LEU A 23 -4.832 2.570 -10.939 1.00 0.00 C ATOM 121 CG LEU A 23 -6.010 1.677 -10.551 1.00 0.00 C ATOM 122 CD1 LEU A 23 -6.800 2.299 -9.410 1.00 0.00 C ATOM 123 CD2 LEU A 23 -6.909 1.428 -11.753 1.00 0.00 C ATOM 0 H LEU A 23 -3.457 0.070 -10.450 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.621 2.030 -12.634 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.493 3.102 -10.050 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.185 3.322 -11.645 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.618 0.718 -10.212 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -7.634 1.648 -9.148 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.151 2.423 -8.543 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -7.182 3.272 -9.720 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -7.742 0.790 -11.458 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -7.293 2.379 -12.123 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.337 0.936 -12.540 1.00 0.00 H new ATOM 135 N ASN A 24 -1.848 3.481 -11.510 1.00 0.00 N ATOM 136 CA ASN A 24 -0.624 4.108 -11.025 1.00 0.00 C ATOM 137 C ASN A 24 -0.945 5.436 -10.346 1.00 0.00 C ATOM 138 O ASN A 24 -1.394 6.381 -10.994 1.00 0.00 O ATOM 139 CB ASN A 24 0.356 4.331 -12.177 1.00 0.00 C ATOM 140 CG ASN A 24 1.775 3.944 -11.813 1.00 0.00 C ATOM 141 OD1 ASN A 24 2.202 2.812 -12.045 1.00 0.00 O ATOM 142 ND2 ASN A 24 2.517 4.884 -11.240 1.00 0.00 N ATOM 0 H ASN A 24 -2.281 3.961 -12.299 1.00 0.00 H new ATOM 0 HA ASN A 24 -0.160 3.442 -10.297 1.00 0.00 H new ATOM 0 HB2 ASN A 24 0.034 3.750 -13.041 1.00 0.00 H new ATOM 0 HB3 ASN A 24 0.333 5.380 -12.472 1.00 0.00 H new ATOM 0 HD21 ASN A 24 3.481 4.681 -10.974 1.00 0.00 H new ATOM 0 HD22 ASN A 24 2.124 5.809 -11.066 1.00 0.00 H new ATOM 149 N ILE A 25 -0.729 5.498 -9.037 1.00 0.00 N ATOM 150 CA ILE A 25 -1.014 6.710 -8.276 1.00 0.00 C ATOM 151 C ILE A 25 0.261 7.357 -7.743 1.00 0.00 C ATOM 152 O ILE A 25 0.967 6.777 -6.917 1.00 0.00 O ATOM 153 CB ILE A 25 -1.968 6.416 -7.099 1.00 0.00 C ATOM 154 CG1 ILE A 25 -3.283 5.825 -7.616 1.00 0.00 C ATOM 155 CG2 ILE A 25 -2.233 7.679 -6.291 1.00 0.00 C ATOM 156 CD1 ILE A 25 -3.517 4.395 -7.182 1.00 0.00 C ATOM 0 H ILE A 25 -0.359 4.727 -8.482 1.00 0.00 H new ATOM 0 HA ILE A 25 -1.495 7.406 -8.964 1.00 0.00 H new ATOM 0 HB ILE A 25 -1.491 5.687 -6.444 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -4.111 6.442 -7.267 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -3.289 5.871 -8.705 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.908 7.449 -5.467 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -1.292 8.061 -5.894 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -2.689 8.433 -6.933 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -4.467 4.043 -7.585 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -2.709 3.765 -7.554 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -3.544 4.345 -6.093 1.00 0.00 H new ATOM 168 N GLN A 26 0.537 8.570 -8.210 1.00 0.00 N ATOM 169 CA GLN A 26 1.711 9.316 -7.772 1.00 0.00 C ATOM 170 C GLN A 26 1.301 10.376 -6.756 1.00 0.00 C ATOM 171 O GLN A 26 0.445 11.215 -7.036 1.00 0.00 O ATOM 172 CB GLN A 26 2.409 9.976 -8.966 1.00 0.00 C ATOM 173 CG GLN A 26 2.340 9.159 -10.246 1.00 0.00 C ATOM 174 CD GLN A 26 1.217 9.606 -11.161 1.00 0.00 C ATOM 175 OE1 GLN A 26 0.073 9.175 -11.014 1.00 0.00 O ATOM 176 NE2 GLN A 26 1.537 10.475 -12.112 1.00 0.00 N ATOM 0 H GLN A 26 -0.039 9.059 -8.895 1.00 0.00 H new ATOM 0 HA GLN A 26 2.410 8.622 -7.305 1.00 0.00 H new ATOM 0 HB2 GLN A 26 1.958 10.952 -9.144 1.00 0.00 H new ATOM 0 HB3 GLN A 26 3.455 10.150 -8.713 1.00 0.00 H new ATOM 0 HG2 GLN A 26 3.289 9.239 -10.776 1.00 0.00 H new ATOM 0 HG3 GLN A 26 2.203 8.107 -9.995 1.00 0.00 H new ATOM 0 HE21 GLN A 26 2.498 10.806 -12.198 1.00 0.00 H new ATOM 0 HE22 GLN A 26 0.822 10.812 -12.757 1.00 0.00 H new ATOM 185 N LEU A 27 1.897 10.324 -5.570 1.00 0.00 N ATOM 186 CA LEU A 27 1.565 11.274 -4.516 1.00 0.00 C ATOM 187 C LEU A 27 2.721 12.222 -4.221 1.00 0.00 C ATOM 188 O LEU A 27 3.854 11.795 -4.004 1.00 0.00 O ATOM 189 CB LEU A 27 1.165 10.530 -3.244 1.00 0.00 C ATOM 190 CG LEU A 27 -0.093 9.673 -3.373 1.00 0.00 C ATOM 191 CD1 LEU A 27 -0.351 8.900 -2.090 1.00 0.00 C ATOM 192 CD2 LEU A 27 -1.292 10.543 -3.724 1.00 0.00 C ATOM 0 H LEU A 27 2.608 9.638 -5.316 1.00 0.00 H new ATOM 0 HA LEU A 27 0.725 11.873 -4.868 1.00 0.00 H new ATOM 0 HB2 LEU A 27 1.993 9.891 -2.938 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.012 11.258 -2.447 1.00 0.00 H new ATOM 0 HG LEU A 27 0.061 8.954 -4.178 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.251 8.296 -2.204 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.498 8.249 -1.880 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.485 9.599 -1.265 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -2.181 9.919 -3.813 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.446 11.284 -2.940 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.109 11.050 -4.671 1.00 0.00 H new ATOM 204 N LYS A 28 2.411 13.513 -4.204 1.00 0.00 N ATOM 205 CA LYS A 28 3.403 14.541 -3.926 1.00 0.00 C ATOM 206 C LYS A 28 3.516 14.781 -2.425 1.00 0.00 C ATOM 207 O LYS A 28 2.578 15.269 -1.794 1.00 0.00 O ATOM 208 CB LYS A 28 3.023 15.845 -4.630 1.00 0.00 C ATOM 209 CG LYS A 28 4.127 16.886 -4.613 1.00 0.00 C ATOM 210 CD LYS A 28 5.412 16.332 -5.199 1.00 0.00 C ATOM 211 CE LYS A 28 6.437 17.430 -5.436 1.00 0.00 C ATOM 212 NZ LYS A 28 7.723 16.888 -5.958 1.00 0.00 N ATOM 0 H LYS A 28 1.473 13.873 -4.381 1.00 0.00 H new ATOM 0 HA LYS A 28 4.367 14.199 -4.302 1.00 0.00 H new ATOM 0 HB2 LYS A 28 2.757 15.626 -5.664 1.00 0.00 H new ATOM 0 HB3 LYS A 28 2.135 16.261 -4.153 1.00 0.00 H new ATOM 0 HG2 LYS A 28 3.813 17.762 -5.181 1.00 0.00 H new ATOM 0 HG3 LYS A 28 4.304 17.216 -3.589 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.828 15.584 -4.524 1.00 0.00 H new ATOM 0 HD3 LYS A 28 5.195 15.826 -6.140 1.00 0.00 H new ATOM 0 HE2 LYS A 28 6.035 18.155 -6.144 1.00 0.00 H new ATOM 0 HE3 LYS A 28 6.620 17.963 -4.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 8.148 17.574 -6.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 8.375 16.718 -5.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 7.545 15.994 -6.458 1.00 0.00 H new ATOM 226 N LYS A 29 4.665 14.434 -1.854 1.00 0.00 N ATOM 227 CA LYS A 29 4.888 14.614 -0.424 1.00 0.00 C ATOM 228 C LYS A 29 4.622 16.057 -0.004 1.00 0.00 C ATOM 229 O LYS A 29 5.145 16.995 -0.604 1.00 0.00 O ATOM 230 CB LYS A 29 6.317 14.221 -0.053 1.00 0.00 C ATOM 231 CG LYS A 29 6.606 14.338 1.435 1.00 0.00 C ATOM 232 CD LYS A 29 7.052 13.010 2.026 1.00 0.00 C ATOM 233 CE LYS A 29 6.520 12.826 3.440 1.00 0.00 C ATOM 234 NZ LYS A 29 6.384 11.388 3.800 1.00 0.00 N ATOM 0 H LYS A 29 5.454 14.028 -2.358 1.00 0.00 H new ATOM 0 HA LYS A 29 4.190 13.966 0.107 1.00 0.00 H new ATOM 0 HB2 LYS A 29 6.498 13.195 -0.372 1.00 0.00 H new ATOM 0 HB3 LYS A 29 7.015 14.853 -0.602 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.381 15.087 1.598 1.00 0.00 H new ATOM 0 HG3 LYS A 29 5.712 14.685 1.953 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.702 12.193 1.395 1.00 0.00 H new ATOM 0 HD3 LYS A 29 8.141 12.962 2.036 1.00 0.00 H new ATOM 0 HE2 LYS A 29 7.191 13.315 4.147 1.00 0.00 H new ATOM 0 HE3 LYS A 29 5.550 13.316 3.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 6.167 11.303 4.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 5.615 10.962 3.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 7.275 10.893 3.594 1.00 0.00 H new ATOM 248 N GLY A 30 3.806 16.224 1.032 1.00 0.00 N ATOM 249 CA GLY A 30 3.484 17.553 1.517 1.00 0.00 C ATOM 250 C GLY A 30 4.088 17.836 2.877 1.00 0.00 C ATOM 251 O GLY A 30 5.036 18.613 2.993 1.00 0.00 O ATOM 0 H GLY A 30 3.362 15.462 1.544 1.00 0.00 H new ATOM 0 HA2 GLY A 30 3.843 18.294 0.802 1.00 0.00 H new ATOM 0 HA3 GLY A 30 2.401 17.663 1.574 1.00 0.00 H new ATOM 255 N THR A 31 3.540 17.205 3.910 1.00 0.00 N ATOM 256 CA THR A 31 4.034 17.396 5.271 1.00 0.00 C ATOM 257 C THR A 31 3.603 16.244 6.175 1.00 0.00 C ATOM 258 O THR A 31 4.432 15.627 6.845 1.00 0.00 O ATOM 259 CB THR A 31 3.524 18.720 5.839 1.00 0.00 C ATOM 260 OG1 THR A 31 2.210 18.990 5.381 1.00 0.00 O ATOM 261 CG2 THR A 31 4.391 19.904 5.467 1.00 0.00 C ATOM 0 H THR A 31 2.755 16.558 3.832 1.00 0.00 H new ATOM 0 HA THR A 31 5.123 17.418 5.235 1.00 0.00 H new ATOM 0 HB THR A 31 3.548 18.598 6.922 1.00 0.00 H new ATOM 0 HG1 THR A 31 1.901 19.841 5.757 1.00 0.00 H new ATOM 0 HG21 THR A 31 3.973 20.812 5.902 1.00 0.00 H new ATOM 0 HG22 THR A 31 5.400 19.750 5.849 1.00 0.00 H new ATOM 0 HG23 THR A 31 4.425 20.004 4.382 1.00 0.00 H new ATOM 269 N GLU A 32 2.306 15.962 6.188 1.00 0.00 N ATOM 270 CA GLU A 32 1.765 14.886 7.010 1.00 0.00 C ATOM 271 C GLU A 32 1.740 13.570 6.237 1.00 0.00 C ATOM 272 O GLU A 32 0.681 12.972 6.042 1.00 0.00 O ATOM 273 CB GLU A 32 0.356 15.241 7.490 1.00 0.00 C ATOM 274 CG GLU A 32 0.330 16.336 8.542 1.00 0.00 C ATOM 275 CD GLU A 32 0.969 15.907 9.847 1.00 0.00 C ATOM 276 OE1 GLU A 32 0.314 15.168 10.613 1.00 0.00 O ATOM 277 OE2 GLU A 32 2.122 16.310 10.105 1.00 0.00 O ATOM 0 H GLU A 32 1.609 16.464 5.638 1.00 0.00 H new ATOM 0 HA GLU A 32 2.414 14.762 7.877 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -0.242 15.556 6.635 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -0.116 14.347 7.897 1.00 0.00 H new ATOM 0 HG2 GLU A 32 0.849 17.215 8.159 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -0.703 16.632 8.728 1.00 0.00 H new ATOM 284 N GLY A 33 2.913 13.128 5.796 1.00 0.00 N ATOM 285 CA GLY A 33 3.002 11.889 5.046 1.00 0.00 C ATOM 286 C GLY A 33 2.164 11.917 3.784 1.00 0.00 C ATOM 287 O GLY A 33 2.160 12.911 3.057 1.00 0.00 O ATOM 0 H GLY A 33 3.802 13.605 5.944 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.043 11.700 4.784 1.00 0.00 H new ATOM 0 HA3 GLY A 33 2.677 11.061 5.677 1.00 0.00 H new ATOM 291 N LEU A 34 1.452 10.826 3.519 1.00 0.00 N ATOM 292 CA LEU A 34 0.608 10.736 2.333 1.00 0.00 C ATOM 293 C LEU A 34 -0.845 10.436 2.704 1.00 0.00 C ATOM 294 O LEU A 34 -1.742 10.554 1.869 1.00 0.00 O ATOM 295 CB LEU A 34 1.145 9.659 1.388 1.00 0.00 C ATOM 296 CG LEU A 34 2.595 9.860 0.940 1.00 0.00 C ATOM 297 CD1 LEU A 34 3.546 9.109 1.860 1.00 0.00 C ATOM 298 CD2 LEU A 34 2.775 9.408 -0.501 1.00 0.00 C ATOM 0 H LEU A 34 1.443 9.994 4.108 1.00 0.00 H new ATOM 0 HA LEU A 34 0.632 11.702 1.828 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.063 8.690 1.881 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.509 9.622 0.504 1.00 0.00 H new ATOM 0 HG LEU A 34 2.830 10.923 0.998 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.572 9.263 1.527 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.436 9.480 2.879 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.312 8.045 1.835 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.812 9.558 -0.803 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.522 8.351 -0.585 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.120 9.990 -1.149 1.00 0.00 H new ATOM 310 N GLY A 35 -1.074 10.054 3.960 1.00 0.00 N ATOM 311 CA GLY A 35 -2.420 9.754 4.411 1.00 0.00 C ATOM 312 C GLY A 35 -2.881 8.371 4.005 1.00 0.00 C ATOM 313 O GLY A 35 -4.050 8.176 3.673 1.00 0.00 O ATOM 0 H GLY A 35 -0.350 9.948 4.671 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.462 9.842 5.497 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -3.108 10.495 4.004 1.00 0.00 H new ATOM 317 N PHE A 36 -1.970 7.408 4.033 1.00 0.00 N ATOM 318 CA PHE A 36 -2.314 6.040 3.666 1.00 0.00 C ATOM 319 C PHE A 36 -1.455 5.028 4.419 1.00 0.00 C ATOM 320 O PHE A 36 -0.227 5.104 4.406 1.00 0.00 O ATOM 321 CB PHE A 36 -2.173 5.841 2.150 1.00 0.00 C ATOM 322 CG PHE A 36 -0.765 5.574 1.689 1.00 0.00 C ATOM 323 CD1 PHE A 36 0.274 6.402 2.079 1.00 0.00 C ATOM 324 CD2 PHE A 36 -0.484 4.496 0.865 1.00 0.00 C ATOM 325 CE1 PHE A 36 1.568 6.160 1.658 1.00 0.00 C ATOM 326 CE2 PHE A 36 0.807 4.249 0.440 1.00 0.00 C ATOM 327 CZ PHE A 36 1.834 5.082 0.836 1.00 0.00 C ATOM 0 H PHE A 36 -0.996 7.546 4.303 1.00 0.00 H new ATOM 0 HA PHE A 36 -3.353 5.870 3.948 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.807 5.009 1.844 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.547 6.730 1.642 1.00 0.00 H new ATOM 0 HD1 PHE A 36 0.071 7.247 2.720 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -1.284 3.841 0.551 1.00 0.00 H new ATOM 0 HE1 PHE A 36 2.370 6.812 1.971 1.00 0.00 H new ATOM 0 HE2 PHE A 36 1.013 3.405 -0.202 1.00 0.00 H new ATOM 0 HZ PHE A 36 2.844 4.891 0.504 1.00 0.00 H new ATOM 337 N SER A 37 -2.116 4.074 5.061 1.00 0.00 N ATOM 338 CA SER A 37 -1.424 3.031 5.806 1.00 0.00 C ATOM 339 C SER A 37 -1.625 1.689 5.118 1.00 0.00 C ATOM 340 O SER A 37 -2.737 1.355 4.710 1.00 0.00 O ATOM 341 CB SER A 37 -1.940 2.970 7.245 1.00 0.00 C ATOM 342 OG SER A 37 -1.355 1.887 7.951 1.00 0.00 O ATOM 0 H SER A 37 -3.133 4.001 5.081 1.00 0.00 H new ATOM 0 HA SER A 37 -0.359 3.263 5.832 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.714 3.906 7.756 1.00 0.00 H new ATOM 0 HB3 SER A 37 -3.025 2.863 7.242 1.00 0.00 H new ATOM 0 HG SER A 37 -1.699 1.870 8.868 1.00 0.00 H new ATOM 348 N ILE A 38 -0.548 0.926 4.976 1.00 0.00 N ATOM 349 CA ILE A 38 -0.632 -0.369 4.318 1.00 0.00 C ATOM 350 C ILE A 38 -0.410 -1.519 5.287 1.00 0.00 C ATOM 351 O ILE A 38 0.382 -1.425 6.223 1.00 0.00 O ATOM 352 CB ILE A 38 0.374 -0.493 3.161 1.00 0.00 C ATOM 353 CG1 ILE A 38 1.795 -0.201 3.642 1.00 0.00 C ATOM 354 CG2 ILE A 38 -0.010 0.446 2.027 1.00 0.00 C ATOM 355 CD1 ILE A 38 2.422 -1.337 4.420 1.00 0.00 C ATOM 0 H ILE A 38 0.384 1.179 5.304 1.00 0.00 H new ATOM 0 HA ILE A 38 -1.645 -0.431 3.920 1.00 0.00 H new ATOM 0 HB ILE A 38 0.347 -1.518 2.790 1.00 0.00 H new ATOM 0 HG12 ILE A 38 2.421 0.025 2.779 1.00 0.00 H new ATOM 0 HG13 ILE A 38 1.781 0.691 4.268 1.00 0.00 H new ATOM 0 HG21 ILE A 38 0.710 0.349 1.214 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -1.005 0.189 1.663 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -0.010 1.474 2.390 1.00 0.00 H new ATOM 0 HD11 ILE A 38 3.429 -1.055 4.727 1.00 0.00 H new ATOM 0 HD12 ILE A 38 1.819 -1.550 5.303 1.00 0.00 H new ATOM 0 HD13 ILE A 38 2.470 -2.226 3.791 1.00 0.00 H new ATOM 367 N THR A 39 -1.116 -2.609 5.033 1.00 0.00 N ATOM 368 CA THR A 39 -1.011 -3.810 5.854 1.00 0.00 C ATOM 369 C THR A 39 -0.180 -4.869 5.141 1.00 0.00 C ATOM 370 O THR A 39 0.136 -4.734 3.960 1.00 0.00 O ATOM 371 CB THR A 39 -2.398 -4.369 6.174 1.00 0.00 C ATOM 372 OG1 THR A 39 -2.300 -5.694 6.668 1.00 0.00 O ATOM 373 CG2 THR A 39 -3.329 -4.395 4.980 1.00 0.00 C ATOM 0 H THR A 39 -1.774 -2.689 4.258 1.00 0.00 H new ATOM 0 HA THR A 39 -0.518 -3.540 6.788 1.00 0.00 H new ATOM 0 HB THR A 39 -2.814 -3.694 6.922 1.00 0.00 H new ATOM 0 HG1 THR A 39 -3.196 -6.035 6.869 1.00 0.00 H new ATOM 0 HG21 THR A 39 -4.294 -4.803 5.280 1.00 0.00 H new ATOM 0 HG22 THR A 39 -3.465 -3.382 4.603 1.00 0.00 H new ATOM 0 HG23 THR A 39 -2.899 -5.019 4.197 1.00 0.00 H new ATOM 381 N SER A 40 0.173 -5.923 5.868 1.00 0.00 N ATOM 382 CA SER A 40 0.970 -7.005 5.302 1.00 0.00 C ATOM 383 C SER A 40 0.407 -8.366 5.695 1.00 0.00 C ATOM 384 O SER A 40 0.273 -8.675 6.879 1.00 0.00 O ATOM 385 CB SER A 40 2.424 -6.889 5.764 1.00 0.00 C ATOM 386 OG SER A 40 2.534 -7.115 7.159 1.00 0.00 O ATOM 0 H SER A 40 -0.079 -6.051 6.848 1.00 0.00 H new ATOM 0 HA SER A 40 0.931 -6.919 4.216 1.00 0.00 H new ATOM 0 HB2 SER A 40 3.039 -7.610 5.226 1.00 0.00 H new ATOM 0 HB3 SER A 40 2.808 -5.898 5.521 1.00 0.00 H new ATOM 0 HG SER A 40 1.834 -7.738 7.446 1.00 0.00 H new ATOM 392 N ARG A 41 0.084 -9.178 4.693 1.00 0.00 N ATOM 393 CA ARG A 41 -0.459 -10.510 4.934 1.00 0.00 C ATOM 394 C ARG A 41 0.527 -11.356 5.732 1.00 0.00 C ATOM 395 O ARG A 41 0.128 -12.225 6.508 1.00 0.00 O ATOM 396 CB ARG A 41 -0.786 -11.199 3.608 1.00 0.00 C ATOM 397 CG ARG A 41 -1.782 -12.340 3.743 1.00 0.00 C ATOM 398 CD ARG A 41 -2.032 -13.026 2.408 1.00 0.00 C ATOM 399 NE ARG A 41 -3.425 -12.905 1.984 1.00 0.00 N ATOM 400 CZ ARG A 41 -4.411 -13.666 2.454 1.00 0.00 C ATOM 401 NH1 ARG A 41 -4.163 -14.598 3.366 1.00 0.00 N ATOM 402 NH2 ARG A 41 -5.650 -13.492 2.013 1.00 0.00 N ATOM 0 H ARG A 41 0.189 -8.937 3.707 1.00 0.00 H new ATOM 0 HA ARG A 41 -1.376 -10.405 5.513 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -1.185 -10.460 2.913 1.00 0.00 H new ATOM 0 HB3 ARG A 41 0.136 -11.583 3.171 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -1.407 -13.068 4.462 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -2.723 -11.957 4.138 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -1.383 -12.590 1.649 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -1.767 -14.080 2.487 1.00 0.00 H new ATOM 0 HE ARG A 41 -3.655 -12.196 1.287 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -3.213 -14.734 3.711 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -4.923 -15.178 3.722 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -5.847 -12.775 1.314 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -6.406 -14.075 2.373 1.00 0.00 H new ATOM 416 N ASP A 42 1.816 -11.094 5.536 1.00 0.00 N ATOM 417 CA ASP A 42 2.861 -11.828 6.238 1.00 0.00 C ATOM 418 C ASP A 42 2.783 -13.319 5.931 1.00 0.00 C ATOM 419 O ASP A 42 2.441 -14.126 6.797 1.00 0.00 O ATOM 420 CB ASP A 42 2.750 -11.597 7.747 1.00 0.00 C ATOM 421 CG ASP A 42 2.858 -10.131 8.117 1.00 0.00 C ATOM 422 OD1 ASP A 42 3.944 -9.546 7.919 1.00 0.00 O ATOM 423 OD2 ASP A 42 1.856 -9.566 8.603 1.00 0.00 O ATOM 0 H ASP A 42 2.161 -10.378 4.896 1.00 0.00 H new ATOM 0 HA ASP A 42 3.825 -11.457 5.891 1.00 0.00 H new ATOM 0 HB2 ASP A 42 1.797 -11.989 8.103 1.00 0.00 H new ATOM 0 HB3 ASP A 42 3.535 -12.156 8.256 1.00 0.00 H new ATOM 428 N VAL A 43 3.104 -13.682 4.694 1.00 0.00 N ATOM 429 CA VAL A 43 3.070 -15.078 4.276 1.00 0.00 C ATOM 430 C VAL A 43 4.241 -15.853 4.868 1.00 0.00 C ATOM 431 O VAL A 43 4.108 -17.023 5.226 1.00 0.00 O ATOM 432 CB VAL A 43 3.100 -15.212 2.743 1.00 0.00 C ATOM 433 CG1 VAL A 43 2.914 -16.665 2.329 1.00 0.00 C ATOM 434 CG2 VAL A 43 2.038 -14.328 2.109 1.00 0.00 C ATOM 0 H VAL A 43 3.390 -13.029 3.964 1.00 0.00 H new ATOM 0 HA VAL A 43 2.134 -15.496 4.646 1.00 0.00 H new ATOM 0 HB VAL A 43 4.075 -14.880 2.387 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.938 -16.739 1.242 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.716 -17.269 2.752 1.00 0.00 H new ATOM 0 HG13 VAL A 43 1.954 -17.028 2.696 1.00 0.00 H new ATOM 0 HG21 VAL A 43 2.074 -14.436 1.025 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.054 -14.626 2.470 1.00 0.00 H new ATOM 0 HG23 VAL A 43 2.223 -13.288 2.376 1.00 0.00 H new ATOM 444 N THR A 44 5.390 -15.191 4.972 1.00 0.00 N ATOM 445 CA THR A 44 6.582 -15.822 5.525 1.00 0.00 C ATOM 446 C THR A 44 7.322 -14.874 6.461 1.00 0.00 C ATOM 447 O THR A 44 7.062 -13.670 6.481 1.00 0.00 O ATOM 448 CB THR A 44 7.517 -16.283 4.405 1.00 0.00 C ATOM 449 OG1 THR A 44 8.819 -16.530 4.907 1.00 0.00 O ATOM 450 CG2 THR A 44 7.645 -15.284 3.275 1.00 0.00 C ATOM 0 H THR A 44 5.520 -14.222 4.682 1.00 0.00 H new ATOM 0 HA THR A 44 6.260 -16.691 6.098 1.00 0.00 H new ATOM 0 HB THR A 44 7.063 -17.193 4.012 1.00 0.00 H new ATOM 0 HG1 THR A 44 9.401 -16.825 4.176 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.323 -15.677 2.517 1.00 0.00 H new ATOM 0 HG22 THR A 44 6.665 -15.110 2.830 1.00 0.00 H new ATOM 0 HG23 THR A 44 8.039 -14.345 3.663 1.00 0.00 H new ATOM 458 N ILE A 45 8.246 -15.428 7.239 1.00 0.00 N ATOM 459 CA ILE A 45 9.029 -14.643 8.184 1.00 0.00 C ATOM 460 C ILE A 45 9.976 -13.692 7.459 1.00 0.00 C ATOM 461 O ILE A 45 11.111 -14.051 7.145 1.00 0.00 O ATOM 462 CB ILE A 45 9.848 -15.550 9.119 1.00 0.00 C ATOM 463 CG1 ILE A 45 9.004 -16.733 9.584 1.00 0.00 C ATOM 464 CG2 ILE A 45 10.364 -14.754 10.309 1.00 0.00 C ATOM 465 CD1 ILE A 45 9.498 -18.069 9.073 1.00 0.00 C ATOM 0 H ILE A 45 8.471 -16.423 7.233 1.00 0.00 H new ATOM 0 HA ILE A 45 8.322 -14.063 8.777 1.00 0.00 H new ATOM 0 HB ILE A 45 10.705 -15.937 8.569 1.00 0.00 H new ATOM 0 HG12 ILE A 45 8.991 -16.753 10.674 1.00 0.00 H new ATOM 0 HG13 ILE A 45 7.975 -16.586 9.255 1.00 0.00 H new ATOM 0 HG21 ILE A 45 10.942 -15.409 10.962 1.00 0.00 H new ATOM 0 HG22 ILE A 45 10.999 -13.942 9.956 1.00 0.00 H new ATOM 0 HG23 ILE A 45 9.521 -14.341 10.863 1.00 0.00 H new ATOM 0 HD11 ILE A 45 8.850 -18.863 9.444 1.00 0.00 H new ATOM 0 HD12 ILE A 45 9.485 -18.069 7.983 1.00 0.00 H new ATOM 0 HD13 ILE A 45 10.516 -18.239 9.424 1.00 0.00 H new ATOM 477 N GLY A 46 9.504 -12.477 7.199 1.00 0.00 N ATOM 478 CA GLY A 46 10.323 -11.494 6.515 1.00 0.00 C ATOM 479 C GLY A 46 10.820 -11.987 5.169 1.00 0.00 C ATOM 480 O GLY A 46 11.942 -12.479 5.058 1.00 0.00 O ATOM 0 H GLY A 46 8.569 -12.156 7.450 1.00 0.00 H new ATOM 0 HA2 GLY A 46 9.746 -10.580 6.373 1.00 0.00 H new ATOM 0 HA3 GLY A 46 11.177 -11.237 7.142 1.00 0.00 H new ATOM 484 N GLY A 47 9.981 -11.853 4.147 1.00 0.00 N ATOM 485 CA GLY A 47 10.360 -12.294 2.816 1.00 0.00 C ATOM 486 C GLY A 47 9.270 -12.048 1.792 1.00 0.00 C ATOM 487 O GLY A 47 8.918 -10.901 1.514 1.00 0.00 O ATOM 0 H GLY A 47 9.047 -11.448 4.216 1.00 0.00 H new ATOM 0 HA2 GLY A 47 11.267 -11.774 2.509 1.00 0.00 H new ATOM 0 HA3 GLY A 47 10.596 -13.358 2.842 1.00 0.00 H new ATOM 491 N SER A 48 8.738 -13.126 1.228 1.00 0.00 N ATOM 492 CA SER A 48 7.683 -13.022 0.226 1.00 0.00 C ATOM 493 C SER A 48 6.317 -12.865 0.886 1.00 0.00 C ATOM 494 O SER A 48 5.770 -13.818 1.441 1.00 0.00 O ATOM 495 CB SER A 48 7.684 -14.258 -0.675 1.00 0.00 C ATOM 496 OG SER A 48 8.172 -15.394 0.016 1.00 0.00 O ATOM 0 H SER A 48 9.019 -14.082 1.447 1.00 0.00 H new ATOM 0 HA SER A 48 7.879 -12.137 -0.379 1.00 0.00 H new ATOM 0 HB2 SER A 48 6.672 -14.452 -1.031 1.00 0.00 H new ATOM 0 HB3 SER A 48 8.301 -14.070 -1.554 1.00 0.00 H new ATOM 0 HG SER A 48 8.161 -16.170 -0.582 1.00 0.00 H new ATOM 502 N ALA A 49 5.771 -11.655 0.820 1.00 0.00 N ATOM 503 CA ALA A 49 4.467 -11.370 1.407 1.00 0.00 C ATOM 504 C ALA A 49 3.792 -10.200 0.691 1.00 0.00 C ATOM 505 O ALA A 49 4.439 -9.205 0.367 1.00 0.00 O ATOM 506 CB ALA A 49 4.611 -11.082 2.894 1.00 0.00 C ATOM 0 H ALA A 49 6.212 -10.855 0.365 1.00 0.00 H new ATOM 0 HA ALA A 49 3.834 -12.248 1.284 1.00 0.00 H new ATOM 0 HB1 ALA A 49 3.630 -10.871 3.320 1.00 0.00 H new ATOM 0 HB2 ALA A 49 5.044 -11.949 3.392 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.262 -10.219 3.036 1.00 0.00 H new ATOM 512 N PRO A 50 2.477 -10.311 0.418 1.00 0.00 N ATOM 513 CA PRO A 50 1.723 -9.264 -0.279 1.00 0.00 C ATOM 514 C PRO A 50 1.335 -8.097 0.625 1.00 0.00 C ATOM 515 O PRO A 50 0.934 -8.290 1.774 1.00 0.00 O ATOM 516 CB PRO A 50 0.475 -10.003 -0.754 1.00 0.00 C ATOM 517 CG PRO A 50 0.259 -11.067 0.267 1.00 0.00 C ATOM 518 CD PRO A 50 1.628 -11.471 0.752 1.00 0.00 C ATOM 0 HA PRO A 50 2.310 -8.807 -1.076 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -0.383 -9.333 -0.817 1.00 0.00 H new ATOM 0 HB3 PRO A 50 0.620 -10.429 -1.747 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -0.352 -10.698 1.091 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -0.268 -11.918 -0.164 1.00 0.00 H new ATOM 0 HD2 PRO A 50 1.629 -11.672 1.823 1.00 0.00 H new ATOM 0 HD3 PRO A 50 1.976 -12.377 0.257 1.00 0.00 H new ATOM 526 N ILE A 51 1.451 -6.885 0.091 1.00 0.00 N ATOM 527 CA ILE A 51 1.108 -5.675 0.829 1.00 0.00 C ATOM 528 C ILE A 51 -0.069 -4.959 0.172 1.00 0.00 C ATOM 529 O ILE A 51 -0.181 -4.928 -1.053 1.00 0.00 O ATOM 530 CB ILE A 51 2.306 -4.708 0.903 1.00 0.00 C ATOM 531 CG1 ILE A 51 3.547 -5.438 1.438 1.00 0.00 C ATOM 532 CG2 ILE A 51 1.960 -3.492 1.754 1.00 0.00 C ATOM 533 CD1 ILE A 51 3.865 -5.150 2.894 1.00 0.00 C ATOM 0 H ILE A 51 1.783 -6.715 -0.858 1.00 0.00 H new ATOM 0 HA ILE A 51 0.834 -5.978 1.839 1.00 0.00 H new ATOM 0 HB ILE A 51 2.536 -4.352 -0.101 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.403 -6.511 1.316 1.00 0.00 H new ATOM 0 HG13 ILE A 51 4.407 -5.160 0.829 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.818 -2.821 1.795 1.00 0.00 H new ATOM 0 HG22 ILE A 51 1.111 -2.970 1.314 1.00 0.00 H new ATOM 0 HG23 ILE A 51 1.704 -3.815 2.763 1.00 0.00 H new ATOM 0 HD11 ILE A 51 4.755 -5.706 3.189 1.00 0.00 H new ATOM 0 HD12 ILE A 51 4.044 -4.083 3.023 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.024 -5.455 3.517 1.00 0.00 H new ATOM 545 N TYR A 52 -0.947 -4.385 0.990 1.00 0.00 N ATOM 546 CA TYR A 52 -2.113 -3.670 0.473 1.00 0.00 C ATOM 547 C TYR A 52 -2.586 -2.603 1.455 1.00 0.00 C ATOM 548 O TYR A 52 -2.442 -2.756 2.666 1.00 0.00 O ATOM 549 CB TYR A 52 -3.257 -4.645 0.174 1.00 0.00 C ATOM 550 CG TYR A 52 -3.332 -5.815 1.127 1.00 0.00 C ATOM 551 CD1 TYR A 52 -2.479 -6.902 0.986 1.00 0.00 C ATOM 552 CD2 TYR A 52 -4.254 -5.834 2.165 1.00 0.00 C ATOM 553 CE1 TYR A 52 -2.541 -7.976 1.852 1.00 0.00 C ATOM 554 CE2 TYR A 52 -4.324 -6.905 3.035 1.00 0.00 C ATOM 555 CZ TYR A 52 -3.466 -7.973 2.876 1.00 0.00 C ATOM 556 OH TYR A 52 -3.532 -9.041 3.740 1.00 0.00 O ATOM 0 H TYR A 52 -0.875 -4.400 2.007 1.00 0.00 H new ATOM 0 HA TYR A 52 -1.814 -3.179 -0.453 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -4.201 -4.102 0.207 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -3.142 -5.024 -0.842 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -1.755 -6.907 0.185 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -4.927 -4.999 2.294 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -1.870 -8.813 1.729 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -5.048 -6.906 3.837 1.00 0.00 H new ATOM 0 HH TYR A 52 -4.235 -8.882 4.404 1.00 0.00 H new ATOM 566 N VAL A 53 -3.150 -1.525 0.920 1.00 0.00 N ATOM 567 CA VAL A 53 -3.647 -0.427 1.745 1.00 0.00 C ATOM 568 C VAL A 53 -4.602 -0.932 2.822 1.00 0.00 C ATOM 569 O VAL A 53 -5.656 -1.493 2.522 1.00 0.00 O ATOM 570 CB VAL A 53 -4.363 0.637 0.891 1.00 0.00 C ATOM 571 CG1 VAL A 53 -4.781 1.823 1.747 1.00 0.00 C ATOM 572 CG2 VAL A 53 -3.473 1.087 -0.259 1.00 0.00 C ATOM 0 H VAL A 53 -3.275 -1.387 -0.083 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.779 0.027 2.223 1.00 0.00 H new ATOM 0 HB VAL A 53 -5.264 0.190 0.471 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -5.285 2.562 1.124 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -5.460 1.485 2.530 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -3.898 2.273 2.202 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -3.996 1.838 -0.851 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -2.553 1.514 0.139 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -3.233 0.231 -0.890 1.00 0.00 H new ATOM 582 N LYS A 54 -4.222 -0.718 4.075 1.00 0.00 N ATOM 583 CA LYS A 54 -5.036 -1.141 5.205 1.00 0.00 C ATOM 584 C LYS A 54 -6.087 -0.087 5.524 1.00 0.00 C ATOM 585 O LYS A 54 -7.155 -0.399 6.050 1.00 0.00 O ATOM 586 CB LYS A 54 -4.156 -1.380 6.433 1.00 0.00 C ATOM 587 CG LYS A 54 -4.908 -1.982 7.608 1.00 0.00 C ATOM 588 CD LYS A 54 -4.007 -2.153 8.820 1.00 0.00 C ATOM 589 CE LYS A 54 -4.609 -3.117 9.830 1.00 0.00 C ATOM 590 NZ LYS A 54 -5.710 -2.488 10.610 1.00 0.00 N ATOM 0 H LYS A 54 -3.352 -0.252 4.334 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.536 -2.072 4.939 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -3.335 -2.043 6.159 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -3.712 -0.434 6.742 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -5.751 -1.342 7.868 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -5.319 -2.949 7.320 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -3.032 -2.521 8.501 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -3.843 -1.185 9.293 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -4.989 -3.997 9.310 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -3.831 -3.461 10.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -6.094 -3.178 11.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -5.343 -1.663 11.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -6.464 -2.183 9.962 1.00 0.00 H new ATOM 604 N ASN A 55 -5.773 1.166 5.206 1.00 0.00 N ATOM 605 CA ASN A 55 -6.700 2.266 5.467 1.00 0.00 C ATOM 606 C ASN A 55 -6.155 3.602 4.973 1.00 0.00 C ATOM 607 O ASN A 55 -4.955 3.866 5.046 1.00 0.00 O ATOM 608 CB ASN A 55 -7.004 2.355 6.965 1.00 0.00 C ATOM 609 CG ASN A 55 -5.746 2.457 7.805 1.00 0.00 C ATOM 610 OD1 ASN A 55 -5.171 3.653 7.870 1.00 0.00 O flip ATOM 611 ND2 ASN A 55 -5.296 1.472 8.389 1.00 0.00 N flip ATOM 0 H ASN A 55 -4.893 1.445 4.772 1.00 0.00 H new ATOM 0 HA ASN A 55 -7.617 2.056 4.917 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -7.635 3.223 7.154 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -7.571 1.476 7.271 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -5.770 0.572 8.311 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -4.449 1.555 8.951 1.00 0.00 H new ATOM 618 N ILE A 56 -7.060 4.448 4.483 1.00 0.00 N ATOM 619 CA ILE A 56 -6.694 5.770 3.990 1.00 0.00 C ATOM 620 C ILE A 56 -6.990 6.826 5.050 1.00 0.00 C ATOM 621 O ILE A 56 -8.107 6.908 5.562 1.00 0.00 O ATOM 622 CB ILE A 56 -7.453 6.123 2.693 1.00 0.00 C ATOM 623 CG1 ILE A 56 -7.192 5.065 1.618 1.00 0.00 C ATOM 624 CG2 ILE A 56 -7.050 7.505 2.194 1.00 0.00 C ATOM 625 CD1 ILE A 56 -5.764 5.053 1.113 1.00 0.00 C ATOM 0 H ILE A 56 -8.056 4.238 4.418 1.00 0.00 H new ATOM 0 HA ILE A 56 -5.627 5.754 3.770 1.00 0.00 H new ATOM 0 HB ILE A 56 -8.521 6.138 2.911 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -7.434 4.082 2.021 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -7.864 5.239 0.778 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -7.596 7.735 1.279 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -7.286 8.249 2.954 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -5.979 7.521 1.991 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -5.653 4.279 0.354 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -5.523 6.024 0.679 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -5.087 4.848 1.942 1.00 0.00 H new ATOM 637 N LEU A 57 -5.982 7.620 5.387 1.00 0.00 N ATOM 638 CA LEU A 57 -6.138 8.656 6.401 1.00 0.00 C ATOM 639 C LEU A 57 -6.796 9.910 5.822 1.00 0.00 C ATOM 640 O LEU A 57 -6.595 10.242 4.654 1.00 0.00 O ATOM 641 CB LEU A 57 -4.779 8.989 7.011 1.00 0.00 C ATOM 642 CG LEU A 57 -3.912 7.767 7.315 1.00 0.00 C ATOM 643 CD1 LEU A 57 -2.624 8.177 8.007 1.00 0.00 C ATOM 644 CD2 LEU A 57 -4.683 6.764 8.163 1.00 0.00 C ATOM 0 H LEU A 57 -5.050 7.567 4.975 1.00 0.00 H new ATOM 0 HA LEU A 57 -6.796 8.277 7.183 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -4.238 9.644 6.328 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.935 9.549 7.933 1.00 0.00 H new ATOM 0 HG LEU A 57 -3.651 7.290 6.370 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.024 7.291 8.213 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -2.063 8.853 7.361 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.859 8.682 8.944 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -4.051 5.900 8.370 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -4.977 7.232 9.103 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -5.574 6.441 7.624 1.00 0.00 H new ATOM 656 N PRO A 58 -7.607 10.615 6.636 1.00 0.00 N ATOM 657 CA PRO A 58 -8.315 11.828 6.204 1.00 0.00 C ATOM 658 C PRO A 58 -7.404 13.047 6.076 1.00 0.00 C ATOM 659 O PRO A 58 -7.858 14.125 5.691 1.00 0.00 O ATOM 660 CB PRO A 58 -9.355 12.066 7.313 1.00 0.00 C ATOM 661 CG PRO A 58 -9.287 10.869 8.205 1.00 0.00 C ATOM 662 CD PRO A 58 -7.917 10.287 8.030 1.00 0.00 C ATOM 0 HA PRO A 58 -8.744 11.692 5.211 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -9.133 12.978 7.867 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -10.354 12.183 6.893 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -9.460 11.149 9.244 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -10.054 10.142 7.939 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -7.198 10.728 8.720 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -7.908 9.211 8.205 1.00 0.00 H new ATOM 670 N ARG A 59 -6.130 12.884 6.407 1.00 0.00 N ATOM 671 CA ARG A 59 -5.184 13.990 6.327 1.00 0.00 C ATOM 672 C ARG A 59 -3.889 13.566 5.644 1.00 0.00 C ATOM 673 O ARG A 59 -2.893 13.272 6.305 1.00 0.00 O ATOM 674 CB ARG A 59 -4.882 14.532 7.724 1.00 0.00 C ATOM 675 CG ARG A 59 -6.001 15.383 8.303 1.00 0.00 C ATOM 676 CD ARG A 59 -5.974 16.799 7.746 1.00 0.00 C ATOM 677 NE ARG A 59 -4.714 17.481 8.037 1.00 0.00 N ATOM 678 CZ ARG A 59 -3.683 17.538 7.195 1.00 0.00 C ATOM 679 NH1 ARG A 59 -3.747 16.945 6.008 1.00 0.00 N ATOM 680 NH2 ARG A 59 -2.581 18.187 7.543 1.00 0.00 N ATOM 0 H ARG A 59 -5.729 12.004 6.731 1.00 0.00 H new ATOM 0 HA ARG A 59 -5.643 14.776 5.727 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -4.689 13.695 8.395 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -3.969 15.126 7.684 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -6.963 14.922 8.079 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -5.909 15.417 9.389 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -6.127 16.767 6.667 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -6.801 17.370 8.169 1.00 0.00 H new ATOM 0 HE ARG A 59 -4.618 17.942 8.942 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -4.590 16.441 5.735 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -2.953 16.994 5.370 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -2.523 18.642 8.454 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -1.791 18.232 6.900 1.00 0.00 H new ATOM 694 N GLY A 60 -3.910 13.544 4.318 1.00 0.00 N ATOM 695 CA GLY A 60 -2.730 13.164 3.562 1.00 0.00 C ATOM 696 C GLY A 60 -2.827 13.541 2.099 1.00 0.00 C ATOM 697 O GLY A 60 -3.822 14.122 1.663 1.00 0.00 O ATOM 0 H GLY A 60 -4.723 13.783 3.751 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -1.854 13.643 3.999 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -2.580 12.088 3.646 1.00 0.00 H new ATOM 701 N ALA A 61 -1.787 13.216 1.339 1.00 0.00 N ATOM 702 CA ALA A 61 -1.749 13.529 -0.084 1.00 0.00 C ATOM 703 C ALA A 61 -2.635 12.593 -0.897 1.00 0.00 C ATOM 704 O ALA A 61 -3.205 12.991 -1.913 1.00 0.00 O ATOM 705 CB ALA A 61 -0.317 13.476 -0.596 1.00 0.00 C ATOM 0 H ALA A 61 -0.957 12.735 1.686 1.00 0.00 H new ATOM 0 HA ALA A 61 -2.139 14.539 -0.208 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -0.302 13.712 -1.660 1.00 0.00 H new ATOM 0 HB2 ALA A 61 0.290 14.202 -0.055 1.00 0.00 H new ATOM 0 HB3 ALA A 61 0.088 12.476 -0.440 1.00 0.00 H new ATOM 711 N ALA A 62 -2.744 11.345 -0.456 1.00 0.00 N ATOM 712 CA ALA A 62 -3.556 10.359 -1.159 1.00 0.00 C ATOM 713 C ALA A 62 -5.024 10.763 -1.205 1.00 0.00 C ATOM 714 O ALA A 62 -5.623 10.831 -2.278 1.00 0.00 O ATOM 715 CB ALA A 62 -3.405 8.991 -0.511 1.00 0.00 C ATOM 0 H ALA A 62 -2.282 10.993 0.382 1.00 0.00 H new ATOM 0 HA ALA A 62 -3.196 10.310 -2.187 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -4.017 8.265 -1.047 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -2.360 8.683 -0.550 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -3.730 9.043 0.528 1.00 0.00 H new ATOM 721 N ILE A 63 -5.608 11.018 -0.039 1.00 0.00 N ATOM 722 CA ILE A 63 -7.008 11.398 0.039 1.00 0.00 C ATOM 723 C ILE A 63 -7.301 12.678 -0.741 1.00 0.00 C ATOM 724 O ILE A 63 -8.360 12.801 -1.359 1.00 0.00 O ATOM 725 CB ILE A 63 -7.465 11.541 1.503 1.00 0.00 C ATOM 726 CG1 ILE A 63 -8.905 11.057 1.628 1.00 0.00 C ATOM 727 CG2 ILE A 63 -7.324 12.977 2.003 1.00 0.00 C ATOM 728 CD1 ILE A 63 -9.354 10.877 3.053 1.00 0.00 C ATOM 0 H ILE A 63 -5.132 10.968 0.862 1.00 0.00 H new ATOM 0 HA ILE A 63 -7.579 10.594 -0.425 1.00 0.00 H new ATOM 0 HB ILE A 63 -6.820 10.926 2.131 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -9.564 11.771 1.135 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -9.009 10.109 1.100 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -7.657 13.036 3.039 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -6.280 13.284 1.939 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -7.935 13.638 1.388 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -10.388 10.531 3.068 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -8.718 10.141 3.545 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -9.282 11.828 3.580 1.00 0.00 H new ATOM 740 N GLN A 64 -6.372 13.629 -0.717 1.00 0.00 N ATOM 741 CA GLN A 64 -6.568 14.882 -1.439 1.00 0.00 C ATOM 742 C GLN A 64 -6.470 14.655 -2.943 1.00 0.00 C ATOM 743 O GLN A 64 -7.181 15.289 -3.723 1.00 0.00 O ATOM 744 CB GLN A 64 -5.544 15.927 -0.998 1.00 0.00 C ATOM 745 CG GLN A 64 -4.109 15.512 -1.263 1.00 0.00 C ATOM 746 CD GLN A 64 -3.124 16.648 -1.061 1.00 0.00 C ATOM 747 OE1 GLN A 64 -2.811 17.386 -1.995 1.00 0.00 O ATOM 748 NE2 GLN A 64 -2.631 16.793 0.163 1.00 0.00 N ATOM 0 H GLN A 64 -5.488 13.559 -0.213 1.00 0.00 H new ATOM 0 HA GLN A 64 -7.566 15.254 -1.205 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -5.745 16.864 -1.517 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -5.668 16.120 0.068 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -3.846 14.687 -0.602 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -4.025 15.141 -2.285 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -2.919 16.158 0.907 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -1.964 17.540 0.359 1.00 0.00 H new ATOM 757 N ASP A 65 -5.588 13.745 -3.343 1.00 0.00 N ATOM 758 CA ASP A 65 -5.402 13.432 -4.755 1.00 0.00 C ATOM 759 C ASP A 65 -6.600 12.664 -5.299 1.00 0.00 C ATOM 760 O ASP A 65 -6.974 12.818 -6.463 1.00 0.00 O ATOM 761 CB ASP A 65 -4.123 12.619 -4.957 1.00 0.00 C ATOM 762 CG ASP A 65 -3.383 13.012 -6.221 1.00 0.00 C ATOM 763 OD1 ASP A 65 -4.020 13.055 -7.294 1.00 0.00 O ATOM 764 OD2 ASP A 65 -2.164 13.278 -6.136 1.00 0.00 O ATOM 0 H ASP A 65 -4.992 13.212 -2.710 1.00 0.00 H new ATOM 0 HA ASP A 65 -5.314 14.370 -5.302 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -3.468 12.758 -4.097 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -4.372 11.559 -5.000 1.00 0.00 H new ATOM 769 N GLY A 66 -7.198 11.833 -4.452 1.00 0.00 N ATOM 770 CA GLY A 66 -8.345 11.049 -4.867 1.00 0.00 C ATOM 771 C GLY A 66 -8.001 10.066 -5.968 1.00 0.00 C ATOM 772 O GLY A 66 -8.767 9.891 -6.916 1.00 0.00 O ATOM 0 H GLY A 66 -6.908 11.689 -3.485 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -8.741 10.506 -4.009 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -9.133 11.717 -5.213 1.00 0.00 H new ATOM 776 N ARG A 67 -6.842 9.427 -5.845 1.00 0.00 N ATOM 777 CA ARG A 67 -6.393 8.460 -6.840 1.00 0.00 C ATOM 778 C ARG A 67 -6.291 7.062 -6.241 1.00 0.00 C ATOM 779 O ARG A 67 -6.742 6.085 -6.841 1.00 0.00 O ATOM 780 CB ARG A 67 -5.042 8.881 -7.418 1.00 0.00 C ATOM 781 CG ARG A 67 -5.087 10.197 -8.177 1.00 0.00 C ATOM 782 CD ARG A 67 -4.020 10.251 -9.261 1.00 0.00 C ATOM 783 NE ARG A 67 -4.547 9.868 -10.568 1.00 0.00 N ATOM 784 CZ ARG A 67 -3.787 9.482 -11.591 1.00 0.00 C ATOM 785 NH1 ARG A 67 -2.467 9.425 -11.461 1.00 0.00 N ATOM 786 NH2 ARG A 67 -4.346 9.152 -12.746 1.00 0.00 N ATOM 0 H ARG A 67 -6.197 9.561 -5.066 1.00 0.00 H new ATOM 0 HA ARG A 67 -7.132 8.435 -7.641 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -4.319 8.964 -6.606 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -4.682 8.098 -8.086 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -6.071 10.325 -8.627 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -4.944 11.024 -7.482 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -3.611 11.260 -9.317 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -3.198 9.588 -8.993 1.00 0.00 H new ATOM 0 HE ARG A 67 -5.557 9.898 -10.705 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -2.030 9.678 -10.574 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -1.889 9.129 -12.248 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -5.360 9.193 -12.852 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -3.763 8.857 -13.529 1.00 0.00 H new ATOM 800 N LEU A 68 -5.693 6.969 -5.058 1.00 0.00 N ATOM 801 CA LEU A 68 -5.530 5.688 -4.383 1.00 0.00 C ATOM 802 C LEU A 68 -6.386 5.629 -3.118 1.00 0.00 C ATOM 803 O LEU A 68 -6.221 6.439 -2.205 1.00 0.00 O ATOM 804 CB LEU A 68 -4.044 5.454 -4.063 1.00 0.00 C ATOM 805 CG LEU A 68 -3.720 5.044 -2.625 1.00 0.00 C ATOM 806 CD1 LEU A 68 -4.308 3.676 -2.311 1.00 0.00 C ATOM 807 CD2 LEU A 68 -2.215 5.045 -2.398 1.00 0.00 C ATOM 0 H LEU A 68 -5.313 7.766 -4.547 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.870 4.892 -5.045 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -3.667 4.681 -4.733 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -3.496 6.369 -4.290 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.171 5.772 -1.950 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.066 3.403 -1.284 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.391 3.709 -2.433 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.889 2.935 -2.992 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.002 4.751 -1.370 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -1.743 4.340 -3.082 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.820 6.045 -2.579 1.00 0.00 H new ATOM 819 N LYS A 69 -7.302 4.665 -3.075 1.00 0.00 N ATOM 820 CA LYS A 69 -8.186 4.500 -1.928 1.00 0.00 C ATOM 821 C LYS A 69 -7.959 3.153 -1.246 1.00 0.00 C ATOM 822 O LYS A 69 -6.992 2.452 -1.541 1.00 0.00 O ATOM 823 CB LYS A 69 -9.638 4.614 -2.376 1.00 0.00 C ATOM 824 CG LYS A 69 -10.155 6.037 -2.373 1.00 0.00 C ATOM 825 CD LYS A 69 -11.427 6.145 -3.184 1.00 0.00 C ATOM 826 CE LYS A 69 -12.096 7.497 -3.005 1.00 0.00 C ATOM 827 NZ LYS A 69 -12.906 7.554 -1.758 1.00 0.00 N ATOM 0 H LYS A 69 -7.450 3.987 -3.822 1.00 0.00 H new ATOM 0 HA LYS A 69 -7.962 5.287 -1.209 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -9.735 4.202 -3.380 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -10.262 4.007 -1.721 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -10.342 6.359 -1.349 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -9.398 6.705 -2.784 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -11.200 5.988 -4.239 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -12.117 5.356 -2.885 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -11.336 8.278 -2.980 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -12.736 7.702 -3.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -13.346 8.492 -1.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -13.648 6.826 -1.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -12.291 7.384 -0.937 1.00 0.00 H new ATOM 841 N ALA A 70 -8.860 2.799 -0.335 1.00 0.00 N ATOM 842 CA ALA A 70 -8.760 1.535 0.386 1.00 0.00 C ATOM 843 C ALA A 70 -9.182 0.367 -0.498 1.00 0.00 C ATOM 844 O ALA A 70 -9.869 0.554 -1.502 1.00 0.00 O ATOM 845 CB ALA A 70 -9.609 1.580 1.648 1.00 0.00 C ATOM 0 H ALA A 70 -9.666 3.369 -0.079 1.00 0.00 H new ATOM 0 HA ALA A 70 -7.718 1.385 0.668 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -9.525 0.631 2.177 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -9.260 2.386 2.293 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -10.651 1.755 1.380 1.00 0.00 H new ATOM 851 N GLY A 71 -8.765 -0.837 -0.121 1.00 0.00 N ATOM 852 CA GLY A 71 -9.110 -2.016 -0.895 1.00 0.00 C ATOM 853 C GLY A 71 -8.171 -2.240 -2.068 1.00 0.00 C ATOM 854 O GLY A 71 -8.363 -3.168 -2.854 1.00 0.00 O ATOM 0 H GLY A 71 -8.195 -1.018 0.705 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -9.089 -2.891 -0.246 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -10.131 -1.917 -1.265 1.00 0.00 H new ATOM 858 N ASP A 72 -7.152 -1.393 -2.184 1.00 0.00 N ATOM 859 CA ASP A 72 -6.181 -1.508 -3.265 1.00 0.00 C ATOM 860 C ASP A 72 -4.906 -2.179 -2.770 1.00 0.00 C ATOM 861 O ASP A 72 -4.436 -1.897 -1.668 1.00 0.00 O ATOM 862 CB ASP A 72 -5.859 -0.125 -3.834 1.00 0.00 C ATOM 863 CG ASP A 72 -6.693 0.207 -5.056 1.00 0.00 C ATOM 864 OD1 ASP A 72 -6.565 -0.505 -6.075 1.00 0.00 O ATOM 865 OD2 ASP A 72 -7.477 1.178 -4.994 1.00 0.00 O ATOM 0 H ASP A 72 -6.978 -0.620 -1.542 1.00 0.00 H new ATOM 0 HA ASP A 72 -6.614 -2.124 -4.053 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -6.029 0.629 -3.066 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -4.802 -0.080 -4.096 1.00 0.00 H new ATOM 870 N ARG A 73 -4.351 -3.072 -3.583 1.00 0.00 N ATOM 871 CA ARG A 73 -3.131 -3.779 -3.208 1.00 0.00 C ATOM 872 C ARG A 73 -1.905 -3.158 -3.868 1.00 0.00 C ATOM 873 O ARG A 73 -1.925 -2.814 -5.050 1.00 0.00 O ATOM 874 CB ARG A 73 -3.233 -5.262 -3.572 1.00 0.00 C ATOM 875 CG ARG A 73 -3.478 -5.513 -5.051 1.00 0.00 C ATOM 876 CD ARG A 73 -4.491 -6.626 -5.270 1.00 0.00 C ATOM 877 NE ARG A 73 -4.024 -7.607 -6.247 1.00 0.00 N ATOM 878 CZ ARG A 73 -4.560 -8.816 -6.398 1.00 0.00 C ATOM 879 NH1 ARG A 73 -5.581 -9.197 -5.641 1.00 0.00 N ATOM 880 NH2 ARG A 73 -4.075 -9.647 -7.310 1.00 0.00 N ATOM 0 H ARG A 73 -4.723 -3.322 -4.499 1.00 0.00 H new ATOM 0 HA ARG A 73 -3.016 -3.689 -2.128 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -2.312 -5.764 -3.275 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -4.042 -5.713 -2.997 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -3.836 -4.597 -5.522 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -2.538 -5.775 -5.537 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -4.691 -7.125 -4.322 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -5.434 -6.197 -5.610 1.00 0.00 H new ATOM 0 HE ARG A 73 -3.241 -7.350 -6.849 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -5.960 -8.562 -4.938 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -5.987 -10.125 -5.762 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -3.291 -9.360 -7.896 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -4.486 -10.573 -7.426 1.00 0.00 H new ATOM 894 N LEU A 74 -0.839 -3.016 -3.086 1.00 0.00 N ATOM 895 CA LEU A 74 0.407 -2.434 -3.572 1.00 0.00 C ATOM 896 C LEU A 74 1.233 -3.462 -4.336 1.00 0.00 C ATOM 897 O LEU A 74 1.664 -4.471 -3.778 1.00 0.00 O ATOM 898 CB LEU A 74 1.213 -1.877 -2.397 1.00 0.00 C ATOM 899 CG LEU A 74 1.117 -0.363 -2.208 1.00 0.00 C ATOM 900 CD1 LEU A 74 1.100 -0.008 -0.730 1.00 0.00 C ATOM 901 CD2 LEU A 74 2.269 0.337 -2.916 1.00 0.00 C ATOM 0 H LEU A 74 -0.814 -3.298 -2.106 1.00 0.00 H new ATOM 0 HA LEU A 74 0.162 -1.623 -4.258 1.00 0.00 H new ATOM 0 HB2 LEU A 74 0.877 -2.364 -1.482 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.260 -2.145 -2.535 1.00 0.00 H new ATOM 0 HG LEU A 74 0.182 -0.020 -2.652 1.00 0.00 H new ATOM 0 HD11 LEU A 74 1.031 1.074 -0.616 1.00 0.00 H new ATOM 0 HD12 LEU A 74 0.240 -0.478 -0.253 1.00 0.00 H new ATOM 0 HD13 LEU A 74 2.016 -0.365 -0.260 1.00 0.00 H new ATOM 0 HD21 LEU A 74 2.185 1.414 -2.771 1.00 0.00 H new ATOM 0 HD22 LEU A 74 3.216 -0.012 -2.503 1.00 0.00 H new ATOM 0 HD23 LEU A 74 2.233 0.111 -3.982 1.00 0.00 H new ATOM 913 N ILE A 75 1.451 -3.191 -5.616 1.00 0.00 N ATOM 914 CA ILE A 75 2.227 -4.080 -6.467 1.00 0.00 C ATOM 915 C ILE A 75 3.647 -3.560 -6.653 1.00 0.00 C ATOM 916 O ILE A 75 4.578 -4.333 -6.874 1.00 0.00 O ATOM 917 CB ILE A 75 1.566 -4.247 -7.845 1.00 0.00 C ATOM 918 CG1 ILE A 75 0.132 -4.756 -7.670 1.00 0.00 C ATOM 919 CG2 ILE A 75 2.384 -5.197 -8.715 1.00 0.00 C ATOM 920 CD1 ILE A 75 -0.426 -5.460 -8.884 1.00 0.00 C ATOM 0 H ILE A 75 1.099 -2.358 -6.088 1.00 0.00 H new ATOM 0 HA ILE A 75 2.263 -5.049 -5.969 1.00 0.00 H new ATOM 0 HB ILE A 75 1.532 -3.281 -8.348 1.00 0.00 H new ATOM 0 HG12 ILE A 75 0.102 -5.439 -6.821 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -0.514 -3.913 -7.424 1.00 0.00 H new ATOM 0 HG21 ILE A 75 1.903 -5.305 -9.687 1.00 0.00 H new ATOM 0 HG22 ILE A 75 3.388 -4.794 -8.849 1.00 0.00 H new ATOM 0 HG23 ILE A 75 2.446 -6.172 -8.231 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -1.444 -5.789 -8.678 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -0.431 -4.775 -9.732 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.194 -6.325 -9.120 1.00 0.00 H new ATOM 932 N GLU A 76 3.808 -2.241 -6.564 1.00 0.00 N ATOM 933 CA GLU A 76 5.123 -1.623 -6.728 1.00 0.00 C ATOM 934 C GLU A 76 5.165 -0.224 -6.119 1.00 0.00 C ATOM 935 O GLU A 76 4.157 0.482 -6.083 1.00 0.00 O ATOM 936 CB GLU A 76 5.498 -1.554 -8.210 1.00 0.00 C ATOM 937 CG GLU A 76 5.874 -2.901 -8.806 1.00 0.00 C ATOM 938 CD GLU A 76 6.857 -2.777 -9.953 1.00 0.00 C ATOM 939 OE1 GLU A 76 8.057 -2.555 -9.684 1.00 0.00 O ATOM 940 OE2 GLU A 76 6.429 -2.900 -11.118 1.00 0.00 O ATOM 0 H GLU A 76 3.050 -1.583 -6.381 1.00 0.00 H new ATOM 0 HA GLU A 76 5.846 -2.245 -6.200 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.659 -1.140 -8.770 1.00 0.00 H new ATOM 0 HB3 GLU A 76 6.334 -0.866 -8.333 1.00 0.00 H new ATOM 0 HG2 GLU A 76 6.307 -3.530 -8.028 1.00 0.00 H new ATOM 0 HG3 GLU A 76 4.973 -3.403 -9.158 1.00 0.00 H new ATOM 947 N VAL A 77 6.346 0.167 -5.647 1.00 0.00 N ATOM 948 CA VAL A 77 6.541 1.481 -5.041 1.00 0.00 C ATOM 949 C VAL A 77 7.868 2.087 -5.486 1.00 0.00 C ATOM 950 O VAL A 77 8.921 1.463 -5.352 1.00 0.00 O ATOM 951 CB VAL A 77 6.514 1.400 -3.502 1.00 0.00 C ATOM 952 CG1 VAL A 77 6.682 2.782 -2.884 1.00 0.00 C ATOM 953 CG2 VAL A 77 5.225 0.747 -3.023 1.00 0.00 C ATOM 0 H VAL A 77 7.186 -0.411 -5.673 1.00 0.00 H new ATOM 0 HA VAL A 77 5.720 2.115 -5.374 1.00 0.00 H new ATOM 0 HB VAL A 77 7.351 0.782 -3.178 1.00 0.00 H new ATOM 0 HG11 VAL A 77 6.660 2.700 -1.797 1.00 0.00 H new ATOM 0 HG12 VAL A 77 7.636 3.207 -3.196 1.00 0.00 H new ATOM 0 HG13 VAL A 77 5.871 3.430 -3.216 1.00 0.00 H new ATOM 0 HG21 VAL A 77 5.224 0.699 -1.934 1.00 0.00 H new ATOM 0 HG22 VAL A 77 4.372 1.335 -3.361 1.00 0.00 H new ATOM 0 HG23 VAL A 77 5.155 -0.261 -3.431 1.00 0.00 H new ATOM 963 N ASN A 78 7.815 3.305 -6.017 1.00 0.00 N ATOM 964 CA ASN A 78 9.017 3.988 -6.483 1.00 0.00 C ATOM 965 C ASN A 78 9.759 3.141 -7.513 1.00 0.00 C ATOM 966 O ASN A 78 10.983 3.211 -7.625 1.00 0.00 O ATOM 967 CB ASN A 78 9.937 4.306 -5.302 1.00 0.00 C ATOM 968 CG ASN A 78 10.439 5.736 -5.327 1.00 0.00 C ATOM 969 OD1 ASN A 78 11.275 6.099 -6.155 1.00 0.00 O ATOM 970 ND2 ASN A 78 9.927 6.558 -4.419 1.00 0.00 N ATOM 0 H ASN A 78 6.954 3.839 -6.135 1.00 0.00 H new ATOM 0 HA ASN A 78 8.716 4.921 -6.959 1.00 0.00 H new ATOM 0 HB2 ASN A 78 9.401 4.129 -4.370 1.00 0.00 H new ATOM 0 HB3 ASN A 78 10.788 3.625 -5.315 1.00 0.00 H new ATOM 0 HD21 ASN A 78 10.224 7.533 -4.389 1.00 0.00 H new ATOM 0 HD22 ASN A 78 9.236 6.214 -3.752 1.00 0.00 H new ATOM 977 N GLY A 79 9.007 2.341 -8.262 1.00 0.00 N ATOM 978 CA GLY A 79 9.605 1.490 -9.273 1.00 0.00 C ATOM 979 C GLY A 79 10.202 0.220 -8.695 1.00 0.00 C ATOM 980 O GLY A 79 11.031 -0.428 -9.333 1.00 0.00 O ATOM 0 H GLY A 79 7.992 2.267 -8.186 1.00 0.00 H new ATOM 0 HA2 GLY A 79 8.849 1.227 -10.013 1.00 0.00 H new ATOM 0 HA3 GLY A 79 10.383 2.046 -9.796 1.00 0.00 H new ATOM 984 N VAL A 80 9.781 -0.139 -7.485 1.00 0.00 N ATOM 985 CA VAL A 80 10.280 -1.338 -6.827 1.00 0.00 C ATOM 986 C VAL A 80 9.215 -2.429 -6.787 1.00 0.00 C ATOM 987 O VAL A 80 8.020 -2.145 -6.716 1.00 0.00 O ATOM 988 CB VAL A 80 10.748 -1.044 -5.388 1.00 0.00 C ATOM 989 CG1 VAL A 80 11.188 -2.323 -4.685 1.00 0.00 C ATOM 990 CG2 VAL A 80 11.872 -0.021 -5.394 1.00 0.00 C ATOM 0 H VAL A 80 9.095 0.385 -6.942 1.00 0.00 H new ATOM 0 HA VAL A 80 11.132 -1.683 -7.413 1.00 0.00 H new ATOM 0 HB VAL A 80 9.906 -0.629 -4.834 1.00 0.00 H new ATOM 0 HG11 VAL A 80 11.513 -2.088 -3.672 1.00 0.00 H new ATOM 0 HG12 VAL A 80 10.353 -3.022 -4.645 1.00 0.00 H new ATOM 0 HG13 VAL A 80 12.013 -2.775 -5.235 1.00 0.00 H new ATOM 0 HG21 VAL A 80 12.191 0.175 -4.370 1.00 0.00 H new ATOM 0 HG22 VAL A 80 12.714 -0.409 -5.968 1.00 0.00 H new ATOM 0 HG23 VAL A 80 11.519 0.905 -5.848 1.00 0.00 H new ATOM 1000 N ASP A 81 9.663 -3.679 -6.824 1.00 0.00 N ATOM 1001 CA ASP A 81 8.757 -4.817 -6.780 1.00 0.00 C ATOM 1002 C ASP A 81 8.474 -5.218 -5.338 1.00 0.00 C ATOM 1003 O ASP A 81 9.373 -5.648 -4.615 1.00 0.00 O ATOM 1004 CB ASP A 81 9.350 -6.000 -7.546 1.00 0.00 C ATOM 1005 CG ASP A 81 8.320 -6.713 -8.401 1.00 0.00 C ATOM 1006 OD1 ASP A 81 7.814 -6.094 -9.360 1.00 0.00 O ATOM 1007 OD2 ASP A 81 8.020 -7.889 -8.110 1.00 0.00 O ATOM 0 H ASP A 81 10.650 -3.928 -6.884 1.00 0.00 H new ATOM 0 HA ASP A 81 7.819 -4.527 -7.253 1.00 0.00 H new ATOM 0 HB2 ASP A 81 10.163 -5.647 -8.181 1.00 0.00 H new ATOM 0 HB3 ASP A 81 9.782 -6.707 -6.838 1.00 0.00 H new ATOM 1012 N LEU A 82 7.221 -5.073 -4.923 1.00 0.00 N ATOM 1013 CA LEU A 82 6.823 -5.424 -3.564 1.00 0.00 C ATOM 1014 C LEU A 82 6.436 -6.897 -3.465 1.00 0.00 C ATOM 1015 O LEU A 82 5.734 -7.301 -2.538 1.00 0.00 O ATOM 1016 CB LEU A 82 5.654 -4.547 -3.110 1.00 0.00 C ATOM 1017 CG LEU A 82 5.792 -3.061 -3.442 1.00 0.00 C ATOM 1018 CD1 LEU A 82 4.425 -2.402 -3.513 1.00 0.00 C ATOM 1019 CD2 LEU A 82 6.669 -2.366 -2.412 1.00 0.00 C ATOM 0 H LEU A 82 6.464 -4.716 -5.506 1.00 0.00 H new ATOM 0 HA LEU A 82 7.677 -5.250 -2.910 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.739 -4.922 -3.568 1.00 0.00 H new ATOM 0 HB3 LEU A 82 5.537 -4.653 -2.031 1.00 0.00 H new ATOM 0 HG LEU A 82 6.268 -2.967 -4.418 1.00 0.00 H new ATOM 0 HD11 LEU A 82 4.543 -1.345 -3.750 1.00 0.00 H new ATOM 0 HD12 LEU A 82 3.829 -2.884 -4.288 1.00 0.00 H new ATOM 0 HD13 LEU A 82 3.921 -2.504 -2.552 1.00 0.00 H new ATOM 0 HD21 LEU A 82 6.757 -1.309 -2.663 1.00 0.00 H new ATOM 0 HD22 LEU A 82 6.220 -2.468 -1.424 1.00 0.00 H new ATOM 0 HD23 LEU A 82 7.659 -2.822 -2.410 1.00 0.00 H new ATOM 1031 N ALA A 83 6.898 -7.697 -4.421 1.00 0.00 N ATOM 1032 CA ALA A 83 6.600 -9.122 -4.431 1.00 0.00 C ATOM 1033 C ALA A 83 7.736 -9.920 -3.802 1.00 0.00 C ATOM 1034 O ALA A 83 8.110 -10.985 -4.294 1.00 0.00 O ATOM 1035 CB ALA A 83 6.338 -9.601 -5.852 1.00 0.00 C ATOM 0 H ALA A 83 7.480 -7.382 -5.197 1.00 0.00 H new ATOM 0 HA ALA A 83 5.701 -9.284 -3.837 1.00 0.00 H new ATOM 0 HB1 ALA A 83 6.117 -10.668 -5.841 1.00 0.00 H new ATOM 0 HB2 ALA A 83 5.489 -9.059 -6.268 1.00 0.00 H new ATOM 0 HB3 ALA A 83 7.220 -9.419 -6.466 1.00 0.00 H new ATOM 1041 N GLY A 84 8.283 -9.395 -2.711 1.00 0.00 N ATOM 1042 CA GLY A 84 9.373 -10.066 -2.028 1.00 0.00 C ATOM 1043 C GLY A 84 10.255 -9.099 -1.266 1.00 0.00 C ATOM 1044 O GLY A 84 11.481 -9.182 -1.327 1.00 0.00 O ATOM 0 H GLY A 84 7.990 -8.515 -2.287 1.00 0.00 H new ATOM 0 HA2 GLY A 84 8.966 -10.805 -1.338 1.00 0.00 H new ATOM 0 HA3 GLY A 84 9.976 -10.608 -2.756 1.00 0.00 H new ATOM 1048 N LYS A 85 9.627 -8.173 -0.544 1.00 0.00 N ATOM 1049 CA LYS A 85 10.362 -7.184 0.233 1.00 0.00 C ATOM 1050 C LYS A 85 10.048 -7.314 1.725 1.00 0.00 C ATOM 1051 O LYS A 85 10.708 -8.072 2.436 1.00 0.00 O ATOM 1052 CB LYS A 85 10.044 -5.773 -0.275 1.00 0.00 C ATOM 1053 CG LYS A 85 10.399 -5.563 -1.737 1.00 0.00 C ATOM 1054 CD LYS A 85 11.260 -4.326 -1.937 1.00 0.00 C ATOM 1055 CE LYS A 85 10.566 -3.072 -1.432 1.00 0.00 C ATOM 1056 NZ LYS A 85 11.473 -1.889 -1.448 1.00 0.00 N ATOM 0 H LYS A 85 8.612 -8.089 -0.483 1.00 0.00 H new ATOM 0 HA LYS A 85 11.429 -7.366 0.105 1.00 0.00 H new ATOM 0 HB2 LYS A 85 8.981 -5.576 -0.135 1.00 0.00 H new ATOM 0 HB3 LYS A 85 10.586 -5.046 0.331 1.00 0.00 H new ATOM 0 HG2 LYS A 85 10.929 -6.439 -2.112 1.00 0.00 H new ATOM 0 HG3 LYS A 85 9.485 -5.468 -2.323 1.00 0.00 H new ATOM 0 HD2 LYS A 85 12.208 -4.453 -1.414 1.00 0.00 H new ATOM 0 HD3 LYS A 85 11.493 -4.212 -2.996 1.00 0.00 H new ATOM 0 HE2 LYS A 85 9.692 -2.867 -2.050 1.00 0.00 H new ATOM 0 HE3 LYS A 85 10.207 -3.240 -0.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 11.613 -1.546 -0.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 12.391 -2.161 -1.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 11.049 -1.134 -2.024 1.00 0.00 H new ATOM 1070 N SER A 86 9.038 -6.580 2.194 1.00 0.00 N ATOM 1071 CA SER A 86 8.635 -6.617 3.600 1.00 0.00 C ATOM 1072 C SER A 86 7.736 -5.431 3.925 1.00 0.00 C ATOM 1073 O SER A 86 7.750 -4.421 3.225 1.00 0.00 O ATOM 1074 CB SER A 86 9.861 -6.613 4.522 1.00 0.00 C ATOM 1075 OG SER A 86 9.547 -6.068 5.793 1.00 0.00 O ATOM 0 H SER A 86 8.482 -5.949 1.617 1.00 0.00 H new ATOM 0 HA SER A 86 8.080 -7.540 3.768 1.00 0.00 H new ATOM 0 HB2 SER A 86 10.232 -7.631 4.642 1.00 0.00 H new ATOM 0 HB3 SER A 86 10.662 -6.034 4.063 1.00 0.00 H new ATOM 0 HG SER A 86 10.346 -6.079 6.360 1.00 0.00 H new ATOM 1081 N GLN A 87 6.965 -5.556 4.996 1.00 0.00 N ATOM 1082 CA GLN A 87 6.066 -4.489 5.417 1.00 0.00 C ATOM 1083 C GLN A 87 6.864 -3.308 5.932 1.00 0.00 C ATOM 1084 O GLN A 87 6.707 -2.183 5.461 1.00 0.00 O ATOM 1085 CB GLN A 87 5.106 -4.991 6.498 1.00 0.00 C ATOM 1086 CG GLN A 87 3.960 -4.036 6.783 1.00 0.00 C ATOM 1087 CD GLN A 87 3.145 -4.448 7.994 1.00 0.00 C ATOM 1088 OE1 GLN A 87 1.824 -4.451 7.846 1.00 0.00 O flip ATOM 1089 NE2 GLN A 87 3.694 -4.762 9.050 1.00 0.00 N flip ATOM 0 H GLN A 87 6.943 -6.385 5.590 1.00 0.00 H new ATOM 0 HA GLN A 87 5.479 -4.170 4.556 1.00 0.00 H new ATOM 0 HB2 GLN A 87 4.698 -5.954 6.191 1.00 0.00 H new ATOM 0 HB3 GLN A 87 5.665 -5.160 7.419 1.00 0.00 H new ATOM 0 HG2 GLN A 87 4.358 -3.034 6.941 1.00 0.00 H new ATOM 0 HG3 GLN A 87 3.308 -3.986 5.911 1.00 0.00 H new ATOM 0 HE21 GLN A 87 4.711 -4.746 9.120 1.00 0.00 H new ATOM 0 HE22 GLN A 87 3.131 -5.038 9.855 1.00 0.00 H new ATOM 1098 N GLU A 88 7.737 -3.577 6.893 1.00 0.00 N ATOM 1099 CA GLU A 88 8.578 -2.537 7.460 1.00 0.00 C ATOM 1100 C GLU A 88 9.473 -1.950 6.379 1.00 0.00 C ATOM 1101 O GLU A 88 9.826 -0.772 6.421 1.00 0.00 O ATOM 1102 CB GLU A 88 9.426 -3.094 8.606 1.00 0.00 C ATOM 1103 CG GLU A 88 8.749 -2.997 9.964 1.00 0.00 C ATOM 1104 CD GLU A 88 9.337 -1.902 10.832 1.00 0.00 C ATOM 1105 OE1 GLU A 88 9.065 -0.715 10.556 1.00 0.00 O ATOM 1106 OE2 GLU A 88 10.067 -2.232 11.790 1.00 0.00 O ATOM 0 H GLU A 88 7.880 -4.504 7.294 1.00 0.00 H new ATOM 0 HA GLU A 88 7.939 -1.750 7.860 1.00 0.00 H new ATOM 0 HB2 GLU A 88 9.661 -4.138 8.400 1.00 0.00 H new ATOM 0 HB3 GLU A 88 10.373 -2.556 8.642 1.00 0.00 H new ATOM 0 HG2 GLU A 88 7.684 -2.811 9.823 1.00 0.00 H new ATOM 0 HG3 GLU A 88 8.840 -3.953 10.480 1.00 0.00 H new ATOM 1113 N GLU A 89 9.823 -2.778 5.398 1.00 0.00 N ATOM 1114 CA GLU A 89 10.660 -2.327 4.295 1.00 0.00 C ATOM 1115 C GLU A 89 9.860 -1.400 3.392 1.00 0.00 C ATOM 1116 O GLU A 89 10.284 -0.284 3.090 1.00 0.00 O ATOM 1117 CB GLU A 89 11.184 -3.518 3.491 1.00 0.00 C ATOM 1118 CG GLU A 89 12.341 -4.241 4.162 1.00 0.00 C ATOM 1119 CD GLU A 89 13.660 -3.515 3.991 1.00 0.00 C ATOM 1120 OE1 GLU A 89 13.921 -2.567 4.761 1.00 0.00 O ATOM 1121 OE2 GLU A 89 14.433 -3.894 3.086 1.00 0.00 O ATOM 0 H GLU A 89 9.542 -3.757 5.346 1.00 0.00 H new ATOM 0 HA GLU A 89 11.514 -1.787 4.703 1.00 0.00 H new ATOM 0 HB2 GLU A 89 10.369 -4.224 3.330 1.00 0.00 H new ATOM 0 HB3 GLU A 89 11.504 -3.171 2.509 1.00 0.00 H new ATOM 0 HG2 GLU A 89 12.127 -4.353 5.225 1.00 0.00 H new ATOM 0 HG3 GLU A 89 12.427 -5.245 3.747 1.00 0.00 H new ATOM 1128 N VAL A 90 8.690 -1.873 2.982 1.00 0.00 N ATOM 1129 CA VAL A 90 7.803 -1.096 2.129 1.00 0.00 C ATOM 1130 C VAL A 90 7.431 0.221 2.803 1.00 0.00 C ATOM 1131 O VAL A 90 7.466 1.288 2.181 1.00 0.00 O ATOM 1132 CB VAL A 90 6.524 -1.892 1.789 1.00 0.00 C ATOM 1133 CG1 VAL A 90 5.555 -1.044 0.978 1.00 0.00 C ATOM 1134 CG2 VAL A 90 6.877 -3.167 1.036 1.00 0.00 C ATOM 0 H VAL A 90 8.333 -2.796 3.229 1.00 0.00 H new ATOM 0 HA VAL A 90 8.334 -0.882 1.201 1.00 0.00 H new ATOM 0 HB VAL A 90 6.034 -2.164 2.724 1.00 0.00 H new ATOM 0 HG11 VAL A 90 4.663 -1.627 0.751 1.00 0.00 H new ATOM 0 HG12 VAL A 90 5.275 -0.161 1.553 1.00 0.00 H new ATOM 0 HG13 VAL A 90 6.032 -0.735 0.048 1.00 0.00 H new ATOM 0 HG21 VAL A 90 5.965 -3.717 0.804 1.00 0.00 H new ATOM 0 HG22 VAL A 90 7.393 -2.912 0.110 1.00 0.00 H new ATOM 0 HG23 VAL A 90 7.527 -3.787 1.654 1.00 0.00 H new ATOM 1144 N VAL A 91 7.100 0.143 4.087 1.00 0.00 N ATOM 1145 CA VAL A 91 6.747 1.328 4.853 1.00 0.00 C ATOM 1146 C VAL A 91 7.940 2.272 4.922 1.00 0.00 C ATOM 1147 O VAL A 91 7.783 3.493 4.940 1.00 0.00 O ATOM 1148 CB VAL A 91 6.292 0.968 6.281 1.00 0.00 C ATOM 1149 CG1 VAL A 91 5.830 2.210 7.027 1.00 0.00 C ATOM 1150 CG2 VAL A 91 5.189 -0.078 6.242 1.00 0.00 C ATOM 0 H VAL A 91 7.069 -0.728 4.617 1.00 0.00 H new ATOM 0 HA VAL A 91 5.915 1.816 4.346 1.00 0.00 H new ATOM 0 HB VAL A 91 7.143 0.548 6.816 1.00 0.00 H new ATOM 0 HG11 VAL A 91 5.513 1.934 8.033 1.00 0.00 H new ATOM 0 HG12 VAL A 91 6.651 2.924 7.089 1.00 0.00 H new ATOM 0 HG13 VAL A 91 4.994 2.664 6.495 1.00 0.00 H new ATOM 0 HG21 VAL A 91 4.881 -0.320 7.259 1.00 0.00 H new ATOM 0 HG22 VAL A 91 4.336 0.313 5.687 1.00 0.00 H new ATOM 0 HG23 VAL A 91 5.559 -0.978 5.751 1.00 0.00 H new ATOM 1160 N SER A 92 9.138 1.691 4.944 1.00 0.00 N ATOM 1161 CA SER A 92 10.365 2.472 4.992 1.00 0.00 C ATOM 1162 C SER A 92 10.513 3.294 3.717 1.00 0.00 C ATOM 1163 O SER A 92 10.997 4.425 3.750 1.00 0.00 O ATOM 1164 CB SER A 92 11.576 1.553 5.167 1.00 0.00 C ATOM 1165 OG SER A 92 12.750 2.302 5.432 1.00 0.00 O ATOM 0 H SER A 92 9.282 0.681 4.929 1.00 0.00 H new ATOM 0 HA SER A 92 10.314 3.148 5.846 1.00 0.00 H new ATOM 0 HB2 SER A 92 11.393 0.856 5.985 1.00 0.00 H new ATOM 0 HB3 SER A 92 11.717 0.956 4.266 1.00 0.00 H new ATOM 0 HG SER A 92 13.509 1.692 5.541 1.00 0.00 H new ATOM 1171 N LEU A 93 10.081 2.721 2.597 1.00 0.00 N ATOM 1172 CA LEU A 93 10.155 3.413 1.315 1.00 0.00 C ATOM 1173 C LEU A 93 9.281 4.656 1.347 1.00 0.00 C ATOM 1174 O LEU A 93 9.732 5.758 1.035 1.00 0.00 O ATOM 1175 CB LEU A 93 9.705 2.505 0.168 1.00 0.00 C ATOM 1176 CG LEU A 93 10.082 1.036 0.318 1.00 0.00 C ATOM 1177 CD1 LEU A 93 9.515 0.217 -0.829 1.00 0.00 C ATOM 1178 CD2 LEU A 93 11.593 0.881 0.396 1.00 0.00 C ATOM 0 H LEU A 93 9.678 1.785 2.551 1.00 0.00 H new ATOM 0 HA LEU A 93 11.194 3.695 1.145 1.00 0.00 H new ATOM 0 HB2 LEU A 93 8.622 2.578 0.072 1.00 0.00 H new ATOM 0 HB3 LEU A 93 10.133 2.881 -0.761 1.00 0.00 H new ATOM 0 HG LEU A 93 9.650 0.662 1.247 1.00 0.00 H new ATOM 0 HD11 LEU A 93 9.796 -0.829 -0.703 1.00 0.00 H new ATOM 0 HD12 LEU A 93 8.428 0.303 -0.835 1.00 0.00 H new ATOM 0 HD13 LEU A 93 9.914 0.588 -1.773 1.00 0.00 H new ATOM 0 HD21 LEU A 93 11.845 -0.174 0.503 1.00 0.00 H new ATOM 0 HD22 LEU A 93 12.046 1.272 -0.515 1.00 0.00 H new ATOM 0 HD23 LEU A 93 11.972 1.434 1.256 1.00 0.00 H new ATOM 1190 N LEU A 94 8.027 4.465 1.740 1.00 0.00 N ATOM 1191 CA LEU A 94 7.081 5.577 1.829 1.00 0.00 C ATOM 1192 C LEU A 94 7.518 6.546 2.920 1.00 0.00 C ATOM 1193 O LEU A 94 7.383 7.762 2.781 1.00 0.00 O ATOM 1194 CB LEU A 94 5.648 5.091 2.112 1.00 0.00 C ATOM 1195 CG LEU A 94 5.448 3.577 2.158 1.00 0.00 C ATOM 1196 CD1 LEU A 94 4.069 3.241 2.702 1.00 0.00 C ATOM 1197 CD2 LEU A 94 5.637 2.973 0.772 1.00 0.00 C ATOM 0 H LEU A 94 7.641 3.558 2.001 1.00 0.00 H new ATOM 0 HA LEU A 94 7.078 6.083 0.864 1.00 0.00 H new ATOM 0 HB2 LEU A 94 5.326 5.509 3.066 1.00 0.00 H new ATOM 0 HB3 LEU A 94 4.989 5.501 1.346 1.00 0.00 H new ATOM 0 HG LEU A 94 6.196 3.149 2.825 1.00 0.00 H new ATOM 0 HD11 LEU A 94 3.942 2.159 2.728 1.00 0.00 H new ATOM 0 HD12 LEU A 94 3.968 3.643 3.710 1.00 0.00 H new ATOM 0 HD13 LEU A 94 3.307 3.680 2.058 1.00 0.00 H new ATOM 0 HD21 LEU A 94 5.491 1.894 0.822 1.00 0.00 H new ATOM 0 HD22 LEU A 94 4.910 3.406 0.084 1.00 0.00 H new ATOM 0 HD23 LEU A 94 6.645 3.187 0.416 1.00 0.00 H new ATOM 1209 N ARG A 95 8.046 5.996 4.004 1.00 0.00 N ATOM 1210 CA ARG A 95 8.514 6.807 5.123 1.00 0.00 C ATOM 1211 C ARG A 95 9.787 7.561 4.750 1.00 0.00 C ATOM 1212 O ARG A 95 10.042 8.656 5.251 1.00 0.00 O ATOM 1213 CB ARG A 95 8.773 5.925 6.347 1.00 0.00 C ATOM 1214 CG ARG A 95 7.548 5.726 7.225 1.00 0.00 C ATOM 1215 CD ARG A 95 7.932 5.291 8.630 1.00 0.00 C ATOM 1216 NE ARG A 95 8.289 3.875 8.689 1.00 0.00 N ATOM 1217 CZ ARG A 95 9.531 3.410 8.545 1.00 0.00 C ATOM 1218 NH1 ARG A 95 10.543 4.242 8.331 1.00 0.00 N ATOM 1219 NH2 ARG A 95 9.759 2.106 8.615 1.00 0.00 N ATOM 0 H ARG A 95 8.162 4.991 4.134 1.00 0.00 H new ATOM 0 HA ARG A 95 7.737 7.533 5.364 1.00 0.00 H new ATOM 0 HB2 ARG A 95 9.132 4.952 6.013 1.00 0.00 H new ATOM 0 HB3 ARG A 95 9.569 6.371 6.944 1.00 0.00 H new ATOM 0 HG2 ARG A 95 6.980 6.655 7.274 1.00 0.00 H new ATOM 0 HG3 ARG A 95 6.896 4.976 6.777 1.00 0.00 H new ATOM 0 HD2 ARG A 95 8.773 5.891 8.978 1.00 0.00 H new ATOM 0 HD3 ARG A 95 7.101 5.483 9.308 1.00 0.00 H new ATOM 0 HE ARG A 95 7.542 3.200 8.850 1.00 0.00 H new ATOM 0 HH11 ARG A 95 10.374 5.246 8.275 1.00 0.00 H new ATOM 0 HH12 ARG A 95 11.489 3.877 8.222 1.00 0.00 H new ATOM 0 HH21 ARG A 95 8.986 1.461 8.779 1.00 0.00 H new ATOM 0 HH22 ARG A 95 10.708 1.748 8.505 1.00 0.00 H new ATOM 1233 N SER A 96 10.586 6.963 3.870 1.00 0.00 N ATOM 1234 CA SER A 96 11.836 7.570 3.430 1.00 0.00 C ATOM 1235 C SER A 96 11.589 8.903 2.733 1.00 0.00 C ATOM 1236 O SER A 96 12.279 9.889 2.993 1.00 0.00 O ATOM 1237 CB SER A 96 12.585 6.621 2.493 1.00 0.00 C ATOM 1238 OG SER A 96 13.763 6.124 3.104 1.00 0.00 O ATOM 0 H SER A 96 10.388 6.056 3.447 1.00 0.00 H new ATOM 0 HA SER A 96 12.446 7.757 4.314 1.00 0.00 H new ATOM 0 HB2 SER A 96 11.936 5.790 2.218 1.00 0.00 H new ATOM 0 HB3 SER A 96 12.842 7.143 1.571 1.00 0.00 H new ATOM 0 HG SER A 96 14.222 5.519 2.485 1.00 0.00 H new ATOM 1244 N THR A 97 10.601 8.928 1.844 1.00 0.00 N ATOM 1245 CA THR A 97 10.267 10.142 1.107 1.00 0.00 C ATOM 1246 C THR A 97 10.038 11.313 2.060 1.00 0.00 C ATOM 1247 O THR A 97 9.181 11.250 2.942 1.00 0.00 O ATOM 1248 CB THR A 97 9.020 9.921 0.244 1.00 0.00 C ATOM 1249 OG1 THR A 97 8.170 8.947 0.826 1.00 0.00 O ATOM 1250 CG2 THR A 97 9.336 9.476 -1.169 1.00 0.00 C ATOM 0 H THR A 97 10.018 8.122 1.617 1.00 0.00 H new ATOM 0 HA THR A 97 11.109 10.382 0.458 1.00 0.00 H new ATOM 0 HB THR A 97 8.529 10.893 0.197 1.00 0.00 H new ATOM 0 HG1 THR A 97 8.123 9.091 1.794 1.00 0.00 H new ATOM 0 HG21 THR A 97 8.408 9.339 -1.723 1.00 0.00 H new ATOM 0 HG22 THR A 97 9.944 10.235 -1.662 1.00 0.00 H new ATOM 0 HG23 THR A 97 9.884 8.534 -1.140 1.00 0.00 H new ATOM 1258 N LYS A 98 10.811 12.378 1.876 1.00 0.00 N ATOM 1259 CA LYS A 98 10.695 13.564 2.717 1.00 0.00 C ATOM 1260 C LYS A 98 9.936 14.669 1.992 1.00 0.00 C ATOM 1261 O LYS A 98 9.391 14.449 0.910 1.00 0.00 O ATOM 1262 CB LYS A 98 12.082 14.065 3.126 1.00 0.00 C ATOM 1263 CG LYS A 98 13.014 12.958 3.597 1.00 0.00 C ATOM 1264 CD LYS A 98 13.972 12.531 2.497 1.00 0.00 C ATOM 1265 CE LYS A 98 14.931 11.456 2.980 1.00 0.00 C ATOM 1266 NZ LYS A 98 16.282 11.600 2.369 1.00 0.00 N ATOM 0 H LYS A 98 11.525 12.444 1.151 1.00 0.00 H new ATOM 0 HA LYS A 98 10.138 13.291 3.613 1.00 0.00 H new ATOM 0 HB2 LYS A 98 12.539 14.577 2.279 1.00 0.00 H new ATOM 0 HB3 LYS A 98 11.973 14.801 3.923 1.00 0.00 H new ATOM 0 HG2 LYS A 98 13.581 13.302 4.462 1.00 0.00 H new ATOM 0 HG3 LYS A 98 12.426 12.100 3.922 1.00 0.00 H new ATOM 0 HD2 LYS A 98 13.405 12.158 1.644 1.00 0.00 H new ATOM 0 HD3 LYS A 98 14.538 13.396 2.150 1.00 0.00 H new ATOM 0 HE2 LYS A 98 15.016 11.507 4.065 1.00 0.00 H new ATOM 0 HE3 LYS A 98 14.526 10.473 2.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 16.906 10.848 2.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 16.205 11.526 1.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 16.680 12.527 2.621 1.00 0.00 H new ATOM 1280 N MET A 99 9.904 15.857 2.593 1.00 0.00 N ATOM 1281 CA MET A 99 9.209 16.999 2.000 1.00 0.00 C ATOM 1282 C MET A 99 9.545 17.135 0.518 1.00 0.00 C ATOM 1283 O MET A 99 10.707 17.031 0.123 1.00 0.00 O ATOM 1284 CB MET A 99 9.574 18.286 2.744 1.00 0.00 C ATOM 1285 CG MET A 99 8.453 18.824 3.617 1.00 0.00 C ATOM 1286 SD MET A 99 8.664 18.398 5.357 1.00 0.00 S ATOM 1287 CE MET A 99 7.720 16.880 5.452 1.00 0.00 C ATOM 0 H MET A 99 10.350 16.054 3.489 1.00 0.00 H new ATOM 0 HA MET A 99 8.136 16.828 2.092 1.00 0.00 H new ATOM 0 HB2 MET A 99 10.450 18.100 3.366 1.00 0.00 H new ATOM 0 HB3 MET A 99 9.855 19.048 2.017 1.00 0.00 H new ATOM 0 HG2 MET A 99 8.407 19.908 3.515 1.00 0.00 H new ATOM 0 HG3 MET A 99 7.501 18.430 3.263 1.00 0.00 H new ATOM 0 HE1 MET A 99 7.079 16.904 6.334 1.00 0.00 H new ATOM 0 HE2 MET A 99 7.104 16.778 4.559 1.00 0.00 H new ATOM 0 HE3 MET A 99 8.401 16.032 5.522 1.00 0.00 H new ATOM 1297 N GLU A 100 8.522 17.359 -0.301 1.00 0.00 N ATOM 1298 CA GLU A 100 8.715 17.495 -1.740 1.00 0.00 C ATOM 1299 C GLU A 100 9.300 16.211 -2.318 1.00 0.00 C ATOM 1300 O GLU A 100 10.518 16.052 -2.400 1.00 0.00 O ATOM 1301 CB GLU A 100 9.638 18.680 -2.045 1.00 0.00 C ATOM 1302 CG GLU A 100 8.913 19.874 -2.645 1.00 0.00 C ATOM 1303 CD GLU A 100 9.197 20.046 -4.125 1.00 0.00 C ATOM 1304 OE1 GLU A 100 10.362 20.328 -4.477 1.00 0.00 O ATOM 1305 OE2 GLU A 100 8.255 19.897 -4.931 1.00 0.00 O ATOM 0 H GLU A 100 7.554 17.450 0.006 1.00 0.00 H new ATOM 0 HA GLU A 100 7.746 17.679 -2.204 1.00 0.00 H new ATOM 0 HB2 GLU A 100 10.134 18.991 -1.125 1.00 0.00 H new ATOM 0 HB3 GLU A 100 10.418 18.355 -2.733 1.00 0.00 H new ATOM 0 HG2 GLU A 100 7.840 19.755 -2.496 1.00 0.00 H new ATOM 0 HG3 GLU A 100 9.210 20.779 -2.114 1.00 0.00 H new ATOM 1312 N GLY A 101 8.423 15.296 -2.710 1.00 0.00 N ATOM 1313 CA GLY A 101 8.862 14.035 -3.267 1.00 0.00 C ATOM 1314 C GLY A 101 7.704 13.205 -3.775 1.00 0.00 C ATOM 1315 O GLY A 101 6.966 12.605 -2.992 1.00 0.00 O ATOM 0 H GLY A 101 7.411 15.407 -2.651 1.00 0.00 H new ATOM 0 HA2 GLY A 101 9.559 14.223 -4.084 1.00 0.00 H new ATOM 0 HA3 GLY A 101 9.405 13.473 -2.507 1.00 0.00 H new ATOM 1319 N THR A 102 7.542 13.178 -5.090 1.00 0.00 N ATOM 1320 CA THR A 102 6.465 12.423 -5.713 1.00 0.00 C ATOM 1321 C THR A 102 6.721 10.924 -5.608 1.00 0.00 C ATOM 1322 O THR A 102 7.580 10.381 -6.304 1.00 0.00 O ATOM 1323 CB THR A 102 6.321 12.827 -7.182 1.00 0.00 C ATOM 1324 OG1 THR A 102 6.844 14.126 -7.402 1.00 0.00 O ATOM 1325 CG2 THR A 102 4.888 12.819 -7.669 1.00 0.00 C ATOM 0 H THR A 102 8.145 13.672 -5.748 1.00 0.00 H new ATOM 0 HA THR A 102 5.539 12.651 -5.186 1.00 0.00 H new ATOM 0 HB THR A 102 6.881 12.078 -7.741 1.00 0.00 H new ATOM 0 HG1 THR A 102 6.743 14.363 -8.347 1.00 0.00 H new ATOM 0 HG21 THR A 102 4.858 13.115 -8.718 1.00 0.00 H new ATOM 0 HG22 THR A 102 4.473 11.817 -7.563 1.00 0.00 H new ATOM 0 HG23 THR A 102 4.299 13.520 -7.078 1.00 0.00 H new ATOM 1333 N VAL A 103 5.971 10.261 -4.735 1.00 0.00 N ATOM 1334 CA VAL A 103 6.115 8.824 -4.540 1.00 0.00 C ATOM 1335 C VAL A 103 5.117 8.060 -5.403 1.00 0.00 C ATOM 1336 O VAL A 103 3.905 8.171 -5.213 1.00 0.00 O ATOM 1337 CB VAL A 103 5.911 8.423 -3.064 1.00 0.00 C ATOM 1338 CG1 VAL A 103 6.511 7.052 -2.791 1.00 0.00 C ATOM 1339 CG2 VAL A 103 6.504 9.468 -2.131 1.00 0.00 C ATOM 0 H VAL A 103 5.257 10.696 -4.151 1.00 0.00 H new ATOM 0 HA VAL A 103 7.132 8.566 -4.835 1.00 0.00 H new ATOM 0 HB VAL A 103 4.839 8.370 -2.872 1.00 0.00 H new ATOM 0 HG11 VAL A 103 6.356 6.789 -1.745 1.00 0.00 H new ATOM 0 HG12 VAL A 103 6.028 6.310 -3.427 1.00 0.00 H new ATOM 0 HG13 VAL A 103 7.580 7.073 -3.005 1.00 0.00 H new ATOM 0 HG21 VAL A 103 6.348 9.163 -1.096 1.00 0.00 H new ATOM 0 HG22 VAL A 103 7.573 9.563 -2.324 1.00 0.00 H new ATOM 0 HG23 VAL A 103 6.017 10.428 -2.304 1.00 0.00 H new ATOM 1349 N SER A 104 5.631 7.286 -6.352 1.00 0.00 N ATOM 1350 CA SER A 104 4.780 6.507 -7.243 1.00 0.00 C ATOM 1351 C SER A 104 4.402 5.180 -6.600 1.00 0.00 C ATOM 1352 O SER A 104 5.270 4.392 -6.225 1.00 0.00 O ATOM 1353 CB SER A 104 5.490 6.260 -8.575 1.00 0.00 C ATOM 1354 OG SER A 104 6.392 5.171 -8.481 1.00 0.00 O ATOM 0 H SER A 104 6.631 7.181 -6.524 1.00 0.00 H new ATOM 0 HA SER A 104 3.869 7.075 -7.428 1.00 0.00 H new ATOM 0 HB2 SER A 104 4.752 6.058 -9.351 1.00 0.00 H new ATOM 0 HB3 SER A 104 6.030 7.158 -8.874 1.00 0.00 H new ATOM 0 HG SER A 104 6.439 4.864 -7.551 1.00 0.00 H new ATOM 1360 N LEU A 105 3.104 4.941 -6.467 1.00 0.00 N ATOM 1361 CA LEU A 105 2.615 3.711 -5.860 1.00 0.00 C ATOM 1362 C LEU A 105 1.705 2.946 -6.814 1.00 0.00 C ATOM 1363 O LEU A 105 0.578 3.363 -7.083 1.00 0.00 O ATOM 1364 CB LEU A 105 1.866 4.023 -4.564 1.00 0.00 C ATOM 1365 CG LEU A 105 2.648 4.857 -3.549 1.00 0.00 C ATOM 1366 CD1 LEU A 105 1.717 5.790 -2.793 1.00 0.00 C ATOM 1367 CD2 LEU A 105 3.398 3.951 -2.583 1.00 0.00 C ATOM 0 H LEU A 105 2.372 5.582 -6.771 1.00 0.00 H new ATOM 0 HA LEU A 105 3.477 3.083 -5.636 1.00 0.00 H new ATOM 0 HB2 LEU A 105 0.945 4.551 -4.813 1.00 0.00 H new ATOM 0 HB3 LEU A 105 1.578 3.083 -4.094 1.00 0.00 H new ATOM 0 HG LEU A 105 3.375 5.464 -4.088 1.00 0.00 H new ATOM 0 HD11 LEU A 105 2.292 6.375 -2.075 1.00 0.00 H new ATOM 0 HD12 LEU A 105 1.224 6.461 -3.497 1.00 0.00 H new ATOM 0 HD13 LEU A 105 0.965 5.204 -2.264 1.00 0.00 H new ATOM 0 HD21 LEU A 105 3.950 4.560 -1.867 1.00 0.00 H new ATOM 0 HD22 LEU A 105 2.687 3.319 -2.050 1.00 0.00 H new ATOM 0 HD23 LEU A 105 4.095 3.324 -3.139 1.00 0.00 H new ATOM 1379 N LEU A 106 2.199 1.818 -7.312 1.00 0.00 N ATOM 1380 CA LEU A 106 1.430 0.983 -8.223 1.00 0.00 C ATOM 1381 C LEU A 106 0.436 0.135 -7.439 1.00 0.00 C ATOM 1382 O LEU A 106 0.827 -0.753 -6.686 1.00 0.00 O ATOM 1383 CB LEU A 106 2.363 0.082 -9.032 1.00 0.00 C ATOM 1384 CG LEU A 106 1.681 -0.742 -10.127 1.00 0.00 C ATOM 1385 CD1 LEU A 106 1.255 0.152 -11.281 1.00 0.00 C ATOM 1386 CD2 LEU A 106 2.609 -1.843 -10.617 1.00 0.00 C ATOM 0 H LEU A 106 3.131 1.462 -7.099 1.00 0.00 H new ATOM 0 HA LEU A 106 0.883 1.627 -8.911 1.00 0.00 H new ATOM 0 HB2 LEU A 106 3.133 0.702 -9.492 1.00 0.00 H new ATOM 0 HB3 LEU A 106 2.868 -0.599 -8.348 1.00 0.00 H new ATOM 0 HG LEU A 106 0.788 -1.205 -9.706 1.00 0.00 H new ATOM 0 HD11 LEU A 106 0.772 -0.451 -12.050 1.00 0.00 H new ATOM 0 HD12 LEU A 106 0.556 0.905 -10.919 1.00 0.00 H new ATOM 0 HD13 LEU A 106 2.131 0.644 -11.703 1.00 0.00 H new ATOM 0 HD21 LEU A 106 2.110 -2.420 -11.395 1.00 0.00 H new ATOM 0 HD22 LEU A 106 3.519 -1.399 -11.022 1.00 0.00 H new ATOM 0 HD23 LEU A 106 2.865 -2.500 -9.786 1.00 0.00 H new ATOM 1398 N VAL A 107 -0.849 0.424 -7.606 1.00 0.00 N ATOM 1399 CA VAL A 107 -1.889 -0.309 -6.896 1.00 0.00 C ATOM 1400 C VAL A 107 -2.806 -1.053 -7.860 1.00 0.00 C ATOM 1401 O VAL A 107 -2.823 -0.776 -9.058 1.00 0.00 O ATOM 1402 CB VAL A 107 -2.733 0.639 -6.016 1.00 0.00 C ATOM 1403 CG1 VAL A 107 -1.834 1.579 -5.229 1.00 0.00 C ATOM 1404 CG2 VAL A 107 -3.724 1.431 -6.863 1.00 0.00 C ATOM 0 H VAL A 107 -1.195 1.158 -8.224 1.00 0.00 H new ATOM 0 HA VAL A 107 -1.386 -1.037 -6.259 1.00 0.00 H new ATOM 0 HB VAL A 107 -3.300 0.031 -5.311 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -2.447 2.239 -4.615 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -1.172 0.997 -4.587 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -1.238 2.175 -5.920 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -4.306 2.091 -6.220 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -3.181 2.026 -7.597 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -4.394 0.743 -7.378 1.00 0.00 H new ATOM 1414 N PHE A 108 -3.579 -1.991 -7.323 1.00 0.00 N ATOM 1415 CA PHE A 108 -4.514 -2.765 -8.126 1.00 0.00 C ATOM 1416 C PHE A 108 -5.891 -2.769 -7.474 1.00 0.00 C ATOM 1417 O PHE A 108 -6.037 -3.152 -6.312 1.00 0.00 O ATOM 1418 CB PHE A 108 -4.016 -4.199 -8.316 1.00 0.00 C ATOM 1419 CG PHE A 108 -4.839 -4.996 -9.290 1.00 0.00 C ATOM 1420 CD1 PHE A 108 -6.090 -5.474 -8.934 1.00 0.00 C ATOM 1421 CD2 PHE A 108 -4.361 -5.263 -10.565 1.00 0.00 C ATOM 1422 CE1 PHE A 108 -6.848 -6.205 -9.830 1.00 0.00 C ATOM 1423 CE2 PHE A 108 -5.115 -5.993 -11.463 1.00 0.00 C ATOM 1424 CZ PHE A 108 -6.360 -6.465 -11.095 1.00 0.00 C ATOM 0 H PHE A 108 -3.575 -2.233 -6.332 1.00 0.00 H new ATOM 0 HA PHE A 108 -4.588 -2.297 -9.108 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -2.983 -4.173 -8.662 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -4.017 -4.706 -7.351 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -6.477 -5.273 -7.946 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -3.389 -4.896 -10.858 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -7.821 -6.572 -9.540 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -4.731 -6.195 -12.452 1.00 0.00 H new ATOM 0 HZ PHE A 108 -6.951 -7.036 -11.796 1.00 0.00 H new ATOM 1434 N ARG A 109 -6.893 -2.325 -8.224 1.00 0.00 N ATOM 1435 CA ARG A 109 -8.260 -2.262 -7.719 1.00 0.00 C ATOM 1436 C ARG A 109 -9.071 -3.477 -8.160 1.00 0.00 C ATOM 1437 O ARG A 109 -8.885 -3.994 -9.262 1.00 0.00 O ATOM 1438 CB ARG A 109 -8.941 -0.976 -8.198 1.00 0.00 C ATOM 1439 CG ARG A 109 -9.463 -0.106 -7.066 1.00 0.00 C ATOM 1440 CD ARG A 109 -10.712 0.654 -7.477 1.00 0.00 C ATOM 1441 NE ARG A 109 -10.908 1.861 -6.678 1.00 0.00 N ATOM 1442 CZ ARG A 109 -11.322 1.855 -5.413 1.00 0.00 C ATOM 1443 NH1 ARG A 109 -11.583 0.707 -4.799 1.00 0.00 N ATOM 1444 NH2 ARG A 109 -11.474 2.997 -4.760 1.00 0.00 N ATOM 0 H ARG A 109 -6.784 -2.003 -9.186 1.00 0.00 H new ATOM 0 HA ARG A 109 -8.215 -2.262 -6.630 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -8.232 -0.399 -8.792 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -9.770 -1.237 -8.856 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -9.684 -0.729 -6.199 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -8.690 0.600 -6.762 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -10.641 0.925 -8.530 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -11.582 0.005 -7.372 1.00 0.00 H new ATOM 0 HE ARG A 109 -10.716 2.762 -7.116 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -11.466 -0.176 -5.297 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -11.900 0.708 -3.830 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -11.274 3.882 -5.226 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -11.791 2.992 -3.791 1.00 0.00 H new ATOM 1458 N GLN A 110 -9.971 -3.923 -7.291 1.00 0.00 N ATOM 1459 CA GLN A 110 -10.817 -5.071 -7.584 1.00 0.00 C ATOM 1460 C GLN A 110 -12.268 -4.778 -7.215 1.00 0.00 C ATOM 1461 O GLN A 110 -12.541 -3.975 -6.323 1.00 0.00 O ATOM 1462 CB GLN A 110 -10.324 -6.305 -6.823 1.00 0.00 C ATOM 1463 CG GLN A 110 -9.232 -7.072 -7.550 1.00 0.00 C ATOM 1464 CD GLN A 110 -8.852 -8.356 -6.840 1.00 0.00 C ATOM 1465 OE1 GLN A 110 -8.252 -8.331 -5.765 1.00 0.00 O ATOM 1466 NE2 GLN A 110 -9.200 -9.490 -7.437 1.00 0.00 N ATOM 0 H GLN A 110 -10.133 -3.504 -6.375 1.00 0.00 H new ATOM 0 HA GLN A 110 -10.762 -5.270 -8.654 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -9.950 -5.995 -5.847 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -11.167 -6.972 -6.644 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -9.568 -7.305 -8.560 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -8.350 -6.439 -7.645 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -9.697 -9.466 -8.328 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -8.971 -10.385 -7.005 1.00 0.00 H new ATOM 1475 N GLU A 111 -13.197 -5.430 -7.909 1.00 0.00 N ATOM 1476 CA GLU A 111 -14.618 -5.234 -7.653 1.00 0.00 C ATOM 1477 C GLU A 111 -15.333 -6.569 -7.470 1.00 0.00 C ATOM 1478 O GLU A 111 -14.721 -7.633 -7.570 1.00 0.00 O ATOM 1479 CB GLU A 111 -15.261 -4.453 -8.800 1.00 0.00 C ATOM 1480 CG GLU A 111 -14.870 -2.985 -8.832 1.00 0.00 C ATOM 1481 CD GLU A 111 -15.889 -2.095 -8.149 1.00 0.00 C ATOM 1482 OE1 GLU A 111 -17.087 -2.199 -8.484 1.00 0.00 O ATOM 1483 OE2 GLU A 111 -15.488 -1.293 -7.277 1.00 0.00 O ATOM 0 H GLU A 111 -12.990 -6.098 -8.652 1.00 0.00 H new ATOM 0 HA GLU A 111 -14.717 -4.662 -6.730 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -14.980 -4.916 -9.746 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -16.345 -4.530 -8.718 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -13.902 -2.860 -8.348 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -14.752 -2.667 -9.868 1.00 0.00 H new ATOM 1490 N GLU A 112 -16.634 -6.505 -7.203 1.00 0.00 N ATOM 1491 CA GLU A 112 -17.436 -7.707 -7.009 1.00 0.00 C ATOM 1492 C GLU A 112 -18.306 -7.987 -8.229 1.00 0.00 C ATOM 1493 O GLU A 112 -18.669 -9.131 -8.497 1.00 0.00 O ATOM 1494 CB GLU A 112 -18.313 -7.561 -5.762 1.00 0.00 C ATOM 1495 CG GLU A 112 -17.782 -8.316 -4.555 1.00 0.00 C ATOM 1496 CD GLU A 112 -18.331 -7.783 -3.245 1.00 0.00 C ATOM 1497 OE1 GLU A 112 -19.473 -8.140 -2.891 1.00 0.00 O ATOM 1498 OE2 GLU A 112 -17.618 -7.007 -2.575 1.00 0.00 O ATOM 0 H GLU A 112 -17.155 -5.632 -7.116 1.00 0.00 H new ATOM 0 HA GLU A 112 -16.757 -8.549 -6.873 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -18.399 -6.504 -5.510 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -19.317 -7.917 -5.990 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -18.039 -9.371 -4.650 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -16.694 -8.252 -4.541 1.00 0.00 H new ATOM 1505 N ALA A 113 -18.641 -6.931 -8.969 1.00 0.00 N ATOM 1506 CA ALA A 113 -19.471 -7.063 -10.161 1.00 0.00 C ATOM 1507 C ALA A 113 -20.874 -7.539 -9.806 1.00 0.00 C ATOM 1508 O ALA A 113 -21.060 -8.292 -8.849 1.00 0.00 O ATOM 1509 CB ALA A 113 -18.822 -8.017 -11.156 1.00 0.00 C ATOM 0 H ALA A 113 -18.349 -5.976 -8.762 1.00 0.00 H new ATOM 0 HA ALA A 113 -19.557 -6.079 -10.622 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -19.453 -8.105 -12.040 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -17.844 -7.631 -11.445 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -18.704 -8.998 -10.695 1.00 0.00 H new TER 1515 ALA A 113