USER MOD reduce.3.24.130724 H: found=0, std=0, add=914, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 915 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 87 GLN :FLIP amide:sc= 0.989 F(o=-1.5,f=2) USER MOD Set 1.2: A 100 SER OG : rot 153:sc= 0.982 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 MET CE :methyl 165:sc= -3.42 (180deg=-4.72) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= -0.0403 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.0357 X(o=-0.036,f=-0.029) USER MOD Single : A 32 SER OG : rot -34:sc= 0.0884 USER MOD Single : A 37 GLN : amide:sc= -0.0371 X(o=-0.037,f=0) USER MOD Single : A 40 SER OG : rot 140:sc= -0.503 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 67 HIS : no HE2:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot -10:sc= 0.0543 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl -117:sc= 0 (180deg=-2.31!) USER MOD Single : A 83 CYS SG : rot 180:sc= -0.275 USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 ASN : amide:sc= -0.695 K(o=-0.7,f=-2.8!) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= -2.39 K(o=-2.4,f=-5.7!) USER MOD Single : A 94 SER OG : rot 88:sc= -0.025 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 GLN : amide:sc= -0.0862 X(o=-0.086,f=0) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot -47:sc= 1.24 USER MOD Single : A 109 SER OG : rot 180:sc= -0.0872 USER MOD Single : A 112 GLN : amide:sc= -1.17 K(o=-1.2,f=-4.8!) USER MOD Single : A 113 LYS NZ :NH3+ 166:sc=-0.00261 (180deg=-0.0778) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 11 -0.525 -20.191 1.023 1.00 0.00 N ATOM 2 CA LYS A 11 -0.403 -19.027 0.145 1.00 0.00 C ATOM 3 C LYS A 11 -0.154 -17.757 0.956 1.00 0.00 C ATOM 4 O LYS A 11 0.590 -16.874 0.526 1.00 0.00 O ATOM 5 CB LYS A 11 -1.659 -18.861 -0.715 1.00 0.00 C ATOM 6 CG LYS A 11 -1.776 -19.892 -1.826 1.00 0.00 C ATOM 7 CD LYS A 11 -0.651 -19.751 -2.840 1.00 0.00 C ATOM 8 CE LYS A 11 -1.094 -20.183 -4.229 1.00 0.00 C ATOM 9 NZ LYS A 11 -0.343 -19.476 -5.305 1.00 0.00 N ATOM 0 HA LYS A 11 0.451 -19.193 -0.512 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -2.539 -18.927 -0.075 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -1.659 -17.864 -1.155 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -1.757 -20.894 -1.397 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -2.736 -19.779 -2.329 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -0.315 -18.714 -2.870 1.00 0.00 H new ATOM 0 HD3 LYS A 11 0.201 -20.353 -2.525 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -0.952 -21.258 -4.336 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -2.160 -19.989 -4.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -0.678 -19.802 -6.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -0.498 -18.451 -5.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 0.672 -19.681 -5.212 1.00 0.00 H new ATOM 23 N MET A 12 -0.771 -17.681 2.138 1.00 0.00 N ATOM 24 CA MET A 12 -0.608 -16.527 3.021 1.00 0.00 C ATOM 25 C MET A 12 0.863 -16.327 3.389 1.00 0.00 C ATOM 26 O MET A 12 1.346 -15.196 3.448 1.00 0.00 O ATOM 27 CB MET A 12 -1.443 -16.702 4.294 1.00 0.00 C ATOM 28 CG MET A 12 -1.841 -15.389 4.952 1.00 0.00 C ATOM 29 SD MET A 12 -2.958 -14.410 3.931 1.00 0.00 S ATOM 30 CE MET A 12 -1.833 -13.175 3.285 1.00 0.00 C ATOM 0 H MET A 12 -1.388 -18.406 2.504 1.00 0.00 H new ATOM 0 HA MET A 12 -0.957 -15.644 2.487 1.00 0.00 H new ATOM 0 HB2 MET A 12 -2.345 -17.264 4.052 1.00 0.00 H new ATOM 0 HB3 MET A 12 -0.878 -17.299 5.009 1.00 0.00 H new ATOM 0 HG2 MET A 12 -2.319 -15.597 5.909 1.00 0.00 H new ATOM 0 HG3 MET A 12 -0.944 -14.807 5.163 1.00 0.00 H new ATOM 0 HE1 MET A 12 -2.299 -12.664 2.442 1.00 0.00 H new ATOM 0 HE2 MET A 12 -1.601 -12.450 4.065 1.00 0.00 H new ATOM 0 HE3 MET A 12 -0.914 -13.658 2.954 1.00 0.00 H new ATOM 40 N LYS A 13 1.572 -17.435 3.628 1.00 0.00 N ATOM 41 CA LYS A 13 2.989 -17.382 3.982 1.00 0.00 C ATOM 42 C LYS A 13 3.810 -16.732 2.870 1.00 0.00 C ATOM 43 O LYS A 13 4.724 -15.960 3.141 1.00 0.00 O ATOM 44 CB LYS A 13 3.530 -18.785 4.275 1.00 0.00 C ATOM 45 CG LYS A 13 4.648 -18.797 5.307 1.00 0.00 C ATOM 46 CD LYS A 13 5.858 -19.579 4.818 1.00 0.00 C ATOM 47 CE LYS A 13 7.061 -19.372 5.727 1.00 0.00 C ATOM 48 NZ LYS A 13 8.339 -19.279 4.962 1.00 0.00 N ATOM 0 H LYS A 13 1.185 -18.378 3.582 1.00 0.00 H new ATOM 0 HA LYS A 13 3.080 -16.774 4.882 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.713 -19.415 4.627 1.00 0.00 H new ATOM 0 HB3 LYS A 13 3.896 -19.226 3.348 1.00 0.00 H new ATOM 0 HG2 LYS A 13 4.944 -17.773 5.534 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.282 -19.236 6.235 1.00 0.00 H new ATOM 0 HD2 LYS A 13 5.613 -20.640 4.773 1.00 0.00 H new ATOM 0 HD3 LYS A 13 6.109 -19.267 3.804 1.00 0.00 H new ATOM 0 HE2 LYS A 13 6.921 -18.461 6.309 1.00 0.00 H new ATOM 0 HE3 LYS A 13 7.124 -20.197 6.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 9.130 -19.138 5.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 8.488 -20.158 4.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 8.291 -18.476 4.303 1.00 0.00 H new ATOM 62 N LYS A 14 3.472 -17.043 1.618 1.00 0.00 N ATOM 63 CA LYS A 14 4.180 -16.476 0.471 1.00 0.00 C ATOM 64 C LYS A 14 3.998 -14.956 0.410 1.00 0.00 C ATOM 65 O LYS A 14 4.940 -14.225 0.103 1.00 0.00 O ATOM 66 CB LYS A 14 3.692 -17.111 -0.836 1.00 0.00 C ATOM 67 CG LYS A 14 4.674 -16.961 -1.991 1.00 0.00 C ATOM 68 CD LYS A 14 5.934 -17.788 -1.769 1.00 0.00 C ATOM 69 CE LYS A 14 7.123 -16.916 -1.379 1.00 0.00 C ATOM 70 NZ LYS A 14 8.077 -16.712 -2.509 1.00 0.00 N ATOM 0 H LYS A 14 2.715 -17.682 1.373 1.00 0.00 H new ATOM 0 HA LYS A 14 5.241 -16.695 0.595 1.00 0.00 H new ATOM 0 HB2 LYS A 14 3.503 -18.171 -0.667 1.00 0.00 H new ATOM 0 HB3 LYS A 14 2.741 -16.658 -1.117 1.00 0.00 H new ATOM 0 HG2 LYS A 14 4.194 -17.271 -2.919 1.00 0.00 H new ATOM 0 HG3 LYS A 14 4.943 -15.911 -2.106 1.00 0.00 H new ATOM 0 HD2 LYS A 14 5.752 -18.525 -0.987 1.00 0.00 H new ATOM 0 HD3 LYS A 14 6.171 -18.340 -2.678 1.00 0.00 H new ATOM 0 HE2 LYS A 14 6.761 -15.947 -1.034 1.00 0.00 H new ATOM 0 HE3 LYS A 14 7.649 -17.377 -0.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 8.867 -16.113 -2.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 8.445 -17.633 -2.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 7.585 -16.248 -3.299 1.00 0.00 H new ATOM 84 N ILE A 15 2.780 -14.493 0.706 1.00 0.00 N ATOM 85 CA ILE A 15 2.470 -13.063 0.688 1.00 0.00 C ATOM 86 C ILE A 15 3.150 -12.335 1.848 1.00 0.00 C ATOM 87 O ILE A 15 3.791 -11.301 1.648 1.00 0.00 O ATOM 88 CB ILE A 15 0.949 -12.799 0.758 1.00 0.00 C ATOM 89 CG1 ILE A 15 0.211 -13.607 -0.316 1.00 0.00 C ATOM 90 CG2 ILE A 15 0.662 -11.309 0.602 1.00 0.00 C ATOM 91 CD1 ILE A 15 -1.229 -13.915 0.038 1.00 0.00 C ATOM 0 H ILE A 15 1.993 -15.089 0.961 1.00 0.00 H new ATOM 0 HA ILE A 15 2.850 -12.680 -0.259 1.00 0.00 H new ATOM 0 HB ILE A 15 0.587 -13.120 1.734 1.00 0.00 H new ATOM 0 HG12 ILE A 15 0.235 -13.054 -1.255 1.00 0.00 H new ATOM 0 HG13 ILE A 15 0.743 -14.543 -0.484 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -0.413 -11.138 0.653 1.00 0.00 H new ATOM 0 HG22 ILE A 15 1.156 -10.758 1.402 1.00 0.00 H new ATOM 0 HG23 ILE A 15 1.038 -10.965 -0.361 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.687 -14.489 -0.768 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.261 -14.495 0.960 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -1.777 -12.983 0.177 1.00 0.00 H new ATOM 103 N VAL A 16 3.009 -12.878 3.060 1.00 0.00 N ATOM 104 CA VAL A 16 3.617 -12.274 4.246 1.00 0.00 C ATOM 105 C VAL A 16 5.147 -12.369 4.196 1.00 0.00 C ATOM 106 O VAL A 16 5.837 -11.409 4.536 1.00 0.00 O ATOM 107 CB VAL A 16 3.106 -12.917 5.559 1.00 0.00 C ATOM 108 CG1 VAL A 16 3.478 -14.389 5.622 1.00 0.00 C ATOM 109 CG2 VAL A 16 3.660 -12.175 6.767 1.00 0.00 C ATOM 0 H VAL A 16 2.481 -13.731 3.244 1.00 0.00 H new ATOM 0 HA VAL A 16 3.320 -11.225 4.240 1.00 0.00 H new ATOM 0 HB VAL A 16 2.019 -12.841 5.574 1.00 0.00 H new ATOM 0 HG11 VAL A 16 3.108 -14.818 6.553 1.00 0.00 H new ATOM 0 HG12 VAL A 16 3.031 -14.914 4.778 1.00 0.00 H new ATOM 0 HG13 VAL A 16 4.562 -14.492 5.580 1.00 0.00 H new ATOM 0 HG21 VAL A 16 3.291 -12.640 7.681 1.00 0.00 H new ATOM 0 HG22 VAL A 16 4.749 -12.218 6.752 1.00 0.00 H new ATOM 0 HG23 VAL A 16 3.338 -11.134 6.734 1.00 0.00 H new ATOM 119 N ASP A 17 5.671 -13.528 3.764 1.00 0.00 N ATOM 120 CA ASP A 17 7.123 -13.733 3.667 1.00 0.00 C ATOM 121 C ASP A 17 7.755 -12.679 2.765 1.00 0.00 C ATOM 122 O ASP A 17 8.832 -12.163 3.061 1.00 0.00 O ATOM 123 CB ASP A 17 7.455 -15.135 3.121 1.00 0.00 C ATOM 124 CG ASP A 17 8.920 -15.528 3.294 1.00 0.00 C ATOM 125 OD1 ASP A 17 9.677 -14.778 3.946 1.00 0.00 O ATOM 126 OD2 ASP A 17 9.309 -16.593 2.773 1.00 0.00 O ATOM 0 H ASP A 17 5.113 -14.333 3.478 1.00 0.00 H new ATOM 0 HA ASP A 17 7.532 -13.643 4.673 1.00 0.00 H new ATOM 0 HB2 ASP A 17 6.828 -15.870 3.626 1.00 0.00 H new ATOM 0 HB3 ASP A 17 7.200 -15.173 2.062 1.00 0.00 H new ATOM 131 N ALA A 18 7.078 -12.366 1.661 1.00 0.00 N ATOM 132 CA ALA A 18 7.576 -11.376 0.714 1.00 0.00 C ATOM 133 C ALA A 18 7.590 -9.979 1.326 1.00 0.00 C ATOM 134 O ALA A 18 8.545 -9.223 1.140 1.00 0.00 O ATOM 135 CB ALA A 18 6.744 -11.393 -0.563 1.00 0.00 C ATOM 0 H ALA A 18 6.184 -12.785 1.403 1.00 0.00 H new ATOM 0 HA ALA A 18 8.604 -11.640 0.465 1.00 0.00 H new ATOM 0 HB1 ALA A 18 7.130 -10.648 -1.259 1.00 0.00 H new ATOM 0 HB2 ALA A 18 6.801 -12.381 -1.021 1.00 0.00 H new ATOM 0 HB3 ALA A 18 5.706 -11.163 -0.324 1.00 0.00 H new ATOM 141 N VAL A 19 6.531 -9.639 2.056 1.00 0.00 N ATOM 142 CA VAL A 19 6.430 -8.328 2.690 1.00 0.00 C ATOM 143 C VAL A 19 7.398 -8.202 3.868 1.00 0.00 C ATOM 144 O VAL A 19 8.117 -7.207 3.984 1.00 0.00 O ATOM 145 CB VAL A 19 4.995 -8.046 3.182 1.00 0.00 C ATOM 146 CG1 VAL A 19 4.877 -6.616 3.690 1.00 0.00 C ATOM 147 CG2 VAL A 19 3.981 -8.313 2.076 1.00 0.00 C ATOM 0 H VAL A 19 5.733 -10.252 2.223 1.00 0.00 H new ATOM 0 HA VAL A 19 6.695 -7.593 1.930 1.00 0.00 H new ATOM 0 HB VAL A 19 4.777 -8.722 4.009 1.00 0.00 H new ATOM 0 HG11 VAL A 19 3.858 -6.435 4.033 1.00 0.00 H new ATOM 0 HG12 VAL A 19 5.571 -6.465 4.517 1.00 0.00 H new ATOM 0 HG13 VAL A 19 5.117 -5.923 2.884 1.00 0.00 H new ATOM 0 HG21 VAL A 19 2.977 -8.107 2.446 1.00 0.00 H new ATOM 0 HG22 VAL A 19 4.193 -7.667 1.224 1.00 0.00 H new ATOM 0 HG23 VAL A 19 4.047 -9.356 1.766 1.00 0.00 H new ATOM 157 N ILE A 20 7.414 -9.214 4.735 1.00 0.00 N ATOM 158 CA ILE A 20 8.295 -9.221 5.903 1.00 0.00 C ATOM 159 C ILE A 20 9.765 -9.144 5.487 1.00 0.00 C ATOM 160 O ILE A 20 10.576 -8.526 6.177 1.00 0.00 O ATOM 161 CB ILE A 20 8.072 -10.467 6.788 1.00 0.00 C ATOM 162 CG1 ILE A 20 6.630 -10.506 7.308 1.00 0.00 C ATOM 163 CG2 ILE A 20 9.054 -10.478 7.952 1.00 0.00 C ATOM 164 CD1 ILE A 20 6.281 -9.365 8.242 1.00 0.00 C ATOM 0 H ILE A 20 6.825 -10.042 4.650 1.00 0.00 H new ATOM 0 HA ILE A 20 8.043 -8.337 6.488 1.00 0.00 H new ATOM 0 HB ILE A 20 8.245 -11.355 6.180 1.00 0.00 H new ATOM 0 HG12 ILE A 20 5.948 -10.488 6.458 1.00 0.00 H new ATOM 0 HG13 ILE A 20 6.467 -11.450 7.828 1.00 0.00 H new ATOM 0 HG21 ILE A 20 8.882 -11.363 8.565 1.00 0.00 H new ATOM 0 HG22 ILE A 20 10.074 -10.495 7.568 1.00 0.00 H new ATOM 0 HG23 ILE A 20 8.910 -9.584 8.558 1.00 0.00 H new ATOM 0 HD11 ILE A 20 5.245 -9.464 8.566 1.00 0.00 H new ATOM 0 HD12 ILE A 20 6.937 -9.393 9.112 1.00 0.00 H new ATOM 0 HD13 ILE A 20 6.409 -8.416 7.721 1.00 0.00 H new ATOM 176 N LYS A 21 10.103 -9.773 4.359 1.00 0.00 N ATOM 177 CA LYS A 21 11.477 -9.763 3.854 1.00 0.00 C ATOM 178 C LYS A 21 11.963 -8.328 3.614 1.00 0.00 C ATOM 179 O LYS A 21 13.149 -8.035 3.776 1.00 0.00 O ATOM 180 CB LYS A 21 11.580 -10.573 2.557 1.00 0.00 C ATOM 181 CG LYS A 21 12.631 -11.674 2.607 1.00 0.00 C ATOM 182 CD LYS A 21 12.091 -12.994 2.074 1.00 0.00 C ATOM 183 CE LYS A 21 12.646 -14.181 2.848 1.00 0.00 C ATOM 184 NZ LYS A 21 14.057 -14.491 2.473 1.00 0.00 N ATOM 0 H LYS A 21 9.445 -10.294 3.779 1.00 0.00 H new ATOM 0 HA LYS A 21 12.114 -10.223 4.610 1.00 0.00 H new ATOM 0 HB2 LYS A 21 10.609 -11.019 2.339 1.00 0.00 H new ATOM 0 HB3 LYS A 21 11.813 -9.897 1.734 1.00 0.00 H new ATOM 0 HG2 LYS A 21 13.500 -11.374 2.022 1.00 0.00 H new ATOM 0 HG3 LYS A 21 12.969 -11.808 3.635 1.00 0.00 H new ATOM 0 HD2 LYS A 21 11.003 -12.995 2.137 1.00 0.00 H new ATOM 0 HD3 LYS A 21 12.349 -13.094 1.020 1.00 0.00 H new ATOM 0 HE2 LYS A 21 12.594 -13.972 3.916 1.00 0.00 H new ATOM 0 HE3 LYS A 21 12.023 -15.056 2.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 14.392 -15.306 3.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 14.105 -14.717 1.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 14.659 -13.666 2.673 1.00 0.00 H new ATOM 198 N TYR A 22 11.042 -7.437 3.232 1.00 0.00 N ATOM 199 CA TYR A 22 11.383 -6.039 2.980 1.00 0.00 C ATOM 200 C TYR A 22 10.596 -5.104 3.901 1.00 0.00 C ATOM 201 O TYR A 22 9.725 -4.353 3.453 1.00 0.00 O ATOM 202 CB TYR A 22 11.123 -5.684 1.512 1.00 0.00 C ATOM 203 CG TYR A 22 12.065 -4.633 0.955 1.00 0.00 C ATOM 204 CD1 TYR A 22 12.322 -3.453 1.649 1.00 0.00 C ATOM 205 CD2 TYR A 22 12.693 -4.819 -0.270 1.00 0.00 C ATOM 206 CE1 TYR A 22 13.177 -2.495 1.137 1.00 0.00 C ATOM 207 CE2 TYR A 22 13.549 -3.866 -0.787 1.00 0.00 C ATOM 208 CZ TYR A 22 13.786 -2.706 -0.080 1.00 0.00 C ATOM 209 OH TYR A 22 14.638 -1.755 -0.595 1.00 0.00 O ATOM 0 H TYR A 22 10.057 -7.662 3.092 1.00 0.00 H new ATOM 0 HA TYR A 22 12.444 -5.907 3.192 1.00 0.00 H new ATOM 0 HB2 TYR A 22 11.207 -6.589 0.910 1.00 0.00 H new ATOM 0 HB3 TYR A 22 10.098 -5.328 1.411 1.00 0.00 H new ATOM 0 HD1 TYR A 22 11.845 -3.284 2.603 1.00 0.00 H new ATOM 0 HD2 TYR A 22 12.509 -5.725 -0.828 1.00 0.00 H new ATOM 0 HE1 TYR A 22 13.366 -1.586 1.688 1.00 0.00 H new ATOM 0 HE2 TYR A 22 14.030 -4.029 -1.740 1.00 0.00 H new ATOM 0 HH TYR A 22 14.984 -2.060 -1.460 1.00 0.00 H new ATOM 219 N LYS A 23 10.916 -5.148 5.195 1.00 0.00 N ATOM 220 CA LYS A 23 10.251 -4.299 6.182 1.00 0.00 C ATOM 221 C LYS A 23 11.236 -3.291 6.775 1.00 0.00 C ATOM 222 O LYS A 23 12.363 -3.647 7.128 1.00 0.00 O ATOM 223 CB LYS A 23 9.628 -5.151 7.298 1.00 0.00 C ATOM 224 CG LYS A 23 10.643 -5.925 8.125 1.00 0.00 C ATOM 225 CD LYS A 23 9.997 -6.567 9.342 1.00 0.00 C ATOM 226 CE LYS A 23 10.886 -6.449 10.572 1.00 0.00 C ATOM 227 NZ LYS A 23 10.723 -7.608 11.491 1.00 0.00 N ATOM 0 H LYS A 23 11.632 -5.763 5.583 1.00 0.00 H new ATOM 0 HA LYS A 23 9.454 -3.752 5.678 1.00 0.00 H new ATOM 0 HB2 LYS A 23 9.055 -4.502 7.960 1.00 0.00 H new ATOM 0 HB3 LYS A 23 8.924 -5.855 6.854 1.00 0.00 H new ATOM 0 HG2 LYS A 23 11.105 -6.696 7.508 1.00 0.00 H new ATOM 0 HG3 LYS A 23 11.440 -5.254 8.446 1.00 0.00 H new ATOM 0 HD2 LYS A 23 9.036 -6.091 9.539 1.00 0.00 H new ATOM 0 HD3 LYS A 23 9.796 -7.618 9.137 1.00 0.00 H new ATOM 0 HE2 LYS A 23 11.928 -6.377 10.261 1.00 0.00 H new ATOM 0 HE3 LYS A 23 10.648 -5.528 11.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 11.346 -7.488 12.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 9.734 -7.662 11.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 10.975 -8.485 10.992 1.00 0.00 H new ATOM 241 N ASP A 24 10.805 -2.035 6.882 1.00 0.00 N ATOM 242 CA ASP A 24 11.651 -0.980 7.435 1.00 0.00 C ATOM 243 C ASP A 24 11.622 -1.013 8.958 1.00 0.00 C ATOM 244 O ASP A 24 10.571 -0.816 9.570 1.00 0.00 O ATOM 245 CB ASP A 24 11.190 0.396 6.941 1.00 0.00 C ATOM 246 CG ASP A 24 12.028 0.916 5.788 1.00 0.00 C ATOM 247 OD1 ASP A 24 12.315 0.133 4.858 1.00 0.00 O ATOM 248 OD2 ASP A 24 12.395 2.111 5.814 1.00 0.00 O ATOM 0 H ASP A 24 9.877 -1.724 6.594 1.00 0.00 H new ATOM 0 HA ASP A 24 12.672 -1.155 7.096 1.00 0.00 H new ATOM 0 HB2 ASP A 24 10.148 0.335 6.628 1.00 0.00 H new ATOM 0 HB3 ASP A 24 11.234 1.107 7.766 1.00 0.00 H new ATOM 253 N SER A 25 12.785 -1.260 9.563 1.00 0.00 N ATOM 254 CA SER A 25 12.902 -1.320 11.022 1.00 0.00 C ATOM 255 C SER A 25 12.019 -2.428 11.610 1.00 0.00 C ATOM 256 O SER A 25 11.310 -3.127 10.882 1.00 0.00 O ATOM 257 CB SER A 25 12.528 0.035 11.642 1.00 0.00 C ATOM 258 OG SER A 25 13.234 1.098 11.024 1.00 0.00 O ATOM 0 H SER A 25 13.660 -1.422 9.065 1.00 0.00 H new ATOM 0 HA SER A 25 13.939 -1.552 11.263 1.00 0.00 H new ATOM 0 HB2 SER A 25 11.455 0.200 11.540 1.00 0.00 H new ATOM 0 HB3 SER A 25 12.748 0.022 12.709 1.00 0.00 H new ATOM 0 HG SER A 25 12.974 1.947 11.438 1.00 0.00 H new ATOM 264 N SER A 26 12.066 -2.578 12.934 1.00 0.00 N ATOM 265 CA SER A 26 11.267 -3.589 13.627 1.00 0.00 C ATOM 266 C SER A 26 9.849 -3.079 13.892 1.00 0.00 C ATOM 267 O SER A 26 8.929 -3.872 14.103 1.00 0.00 O ATOM 268 CB SER A 26 11.928 -3.986 14.954 1.00 0.00 C ATOM 269 OG SER A 26 13.326 -3.754 14.929 1.00 0.00 O ATOM 0 H SER A 26 12.650 -2.011 13.549 1.00 0.00 H new ATOM 0 HA SER A 26 11.210 -4.465 12.981 1.00 0.00 H new ATOM 0 HB2 SER A 26 11.479 -3.419 15.769 1.00 0.00 H new ATOM 0 HB3 SER A 26 11.737 -5.040 15.156 1.00 0.00 H new ATOM 0 HG SER A 26 13.716 -4.015 15.789 1.00 0.00 H new ATOM 275 N SER A 27 9.678 -1.753 13.885 1.00 0.00 N ATOM 276 CA SER A 27 8.373 -1.143 14.130 1.00 0.00 C ATOM 277 C SER A 27 7.641 -0.819 12.820 1.00 0.00 C ATOM 278 O SER A 27 6.423 -0.634 12.816 1.00 0.00 O ATOM 279 CB SER A 27 8.543 0.131 14.968 1.00 0.00 C ATOM 280 OG SER A 27 7.290 0.723 15.272 1.00 0.00 O ATOM 0 H SER A 27 10.429 -1.084 13.712 1.00 0.00 H new ATOM 0 HA SER A 27 7.765 -1.863 14.678 1.00 0.00 H new ATOM 0 HB2 SER A 27 9.068 -0.108 15.893 1.00 0.00 H new ATOM 0 HB3 SER A 27 9.162 0.845 14.425 1.00 0.00 H new ATOM 0 HG SER A 27 7.431 1.531 15.808 1.00 0.00 H new ATOM 286 N GLY A 28 8.386 -0.743 11.712 1.00 0.00 N ATOM 287 CA GLY A 28 7.783 -0.431 10.424 1.00 0.00 C ATOM 288 C GLY A 28 7.850 1.052 10.092 1.00 0.00 C ATOM 289 O GLY A 28 7.031 1.556 9.322 1.00 0.00 O ATOM 0 H GLY A 28 9.395 -0.892 11.686 1.00 0.00 H new ATOM 0 HA2 GLY A 28 8.289 -0.998 9.643 1.00 0.00 H new ATOM 0 HA3 GLY A 28 6.741 -0.752 10.427 1.00 0.00 H new ATOM 293 N ARG A 29 8.829 1.752 10.676 1.00 0.00 N ATOM 294 CA ARG A 29 8.999 3.183 10.441 1.00 0.00 C ATOM 295 C ARG A 29 9.582 3.436 9.053 1.00 0.00 C ATOM 296 O ARG A 29 10.734 3.094 8.778 1.00 0.00 O ATOM 297 CB ARG A 29 9.902 3.802 11.512 1.00 0.00 C ATOM 298 CG ARG A 29 9.991 5.318 11.430 1.00 0.00 C ATOM 299 CD ARG A 29 11.431 5.796 11.534 1.00 0.00 C ATOM 300 NE ARG A 29 11.582 7.188 11.114 1.00 0.00 N ATOM 301 CZ ARG A 29 11.256 8.240 11.872 1.00 0.00 C ATOM 302 NH1 ARG A 29 10.751 8.067 13.093 1.00 0.00 N ATOM 303 NH2 ARG A 29 11.438 9.473 11.405 1.00 0.00 N ATOM 0 H ARG A 29 9.514 1.347 11.314 1.00 0.00 H new ATOM 0 HA ARG A 29 8.018 3.654 10.497 1.00 0.00 H new ATOM 0 HB2 ARG A 29 9.529 3.521 12.497 1.00 0.00 H new ATOM 0 HB3 ARG A 29 10.903 3.382 11.418 1.00 0.00 H new ATOM 0 HG2 ARG A 29 9.560 5.659 10.489 1.00 0.00 H new ATOM 0 HG3 ARG A 29 9.400 5.762 12.231 1.00 0.00 H new ATOM 0 HD2 ARG A 29 11.774 5.689 12.563 1.00 0.00 H new ATOM 0 HD3 ARG A 29 12.068 5.161 10.918 1.00 0.00 H new ATOM 0 HE ARG A 29 11.960 7.368 10.184 1.00 0.00 H new ATOM 0 HH11 ARG A 29 10.610 7.125 13.458 1.00 0.00 H new ATOM 0 HH12 ARG A 29 10.506 8.877 13.663 1.00 0.00 H new ATOM 0 HH21 ARG A 29 11.825 9.613 10.472 1.00 0.00 H new ATOM 0 HH22 ARG A 29 11.190 10.278 11.980 1.00 0.00 H new ATOM 317 N GLN A 30 8.772 4.038 8.183 1.00 0.00 N ATOM 318 CA GLN A 30 9.186 4.344 6.816 1.00 0.00 C ATOM 319 C GLN A 30 8.386 5.524 6.259 1.00 0.00 C ATOM 320 O GLN A 30 7.338 5.881 6.800 1.00 0.00 O ATOM 321 CB GLN A 30 8.993 3.103 5.927 1.00 0.00 C ATOM 322 CG GLN A 30 9.535 3.256 4.510 1.00 0.00 C ATOM 323 CD GLN A 30 9.346 2.007 3.665 1.00 0.00 C ATOM 324 OE1 GLN A 30 10.309 1.451 3.140 1.00 0.00 O ATOM 325 NE2 GLN A 30 8.101 1.560 3.521 1.00 0.00 N ATOM 0 H GLN A 30 7.818 4.325 8.404 1.00 0.00 H new ATOM 0 HA GLN A 30 10.240 4.621 6.823 1.00 0.00 H new ATOM 0 HB2 GLN A 30 9.482 2.252 6.401 1.00 0.00 H new ATOM 0 HB3 GLN A 30 7.929 2.871 5.874 1.00 0.00 H new ATOM 0 HG2 GLN A 30 9.037 4.095 4.025 1.00 0.00 H new ATOM 0 HG3 GLN A 30 10.596 3.499 4.557 1.00 0.00 H new ATOM 0 HE21 GLN A 30 7.328 2.049 3.973 1.00 0.00 H new ATOM 0 HE22 GLN A 30 7.920 0.728 2.959 1.00 0.00 H new ATOM 334 N LEU A 31 8.884 6.119 5.174 1.00 0.00 N ATOM 335 CA LEU A 31 8.215 7.253 4.526 1.00 0.00 C ATOM 336 C LEU A 31 6.774 6.905 4.163 1.00 0.00 C ATOM 337 O LEU A 31 5.891 7.761 4.213 1.00 0.00 O ATOM 338 CB LEU A 31 8.977 7.694 3.271 1.00 0.00 C ATOM 339 CG LEU A 31 10.475 7.929 3.472 1.00 0.00 C ATOM 340 CD1 LEU A 31 11.287 6.977 2.605 1.00 0.00 C ATOM 341 CD2 LEU A 31 10.832 9.377 3.167 1.00 0.00 C ATOM 0 H LEU A 31 9.753 5.834 4.722 1.00 0.00 H new ATOM 0 HA LEU A 31 8.205 8.078 5.238 1.00 0.00 H new ATOM 0 HB2 LEU A 31 8.844 6.936 2.499 1.00 0.00 H new ATOM 0 HB3 LEU A 31 8.528 8.614 2.896 1.00 0.00 H new ATOM 0 HG LEU A 31 10.720 7.730 4.515 1.00 0.00 H new ATOM 0 HD11 LEU A 31 12.350 7.159 2.762 1.00 0.00 H new ATOM 0 HD12 LEU A 31 11.052 5.948 2.876 1.00 0.00 H new ATOM 0 HD13 LEU A 31 11.041 7.141 1.556 1.00 0.00 H new ATOM 0 HD21 LEU A 31 11.901 9.527 3.315 1.00 0.00 H new ATOM 0 HD22 LEU A 31 10.573 9.606 2.133 1.00 0.00 H new ATOM 0 HD23 LEU A 31 10.277 10.037 3.834 1.00 0.00 H new ATOM 353 N SER A 32 6.543 5.643 3.794 1.00 0.00 N ATOM 354 CA SER A 32 5.208 5.173 3.421 1.00 0.00 C ATOM 355 C SER A 32 4.230 5.194 4.607 1.00 0.00 C ATOM 356 O SER A 32 3.053 4.872 4.443 1.00 0.00 O ATOM 357 CB SER A 32 5.298 3.758 2.848 1.00 0.00 C ATOM 358 OG SER A 32 4.098 3.395 2.186 1.00 0.00 O ATOM 0 H SER A 32 7.267 4.926 3.746 1.00 0.00 H new ATOM 0 HA SER A 32 4.820 5.857 2.666 1.00 0.00 H new ATOM 0 HB2 SER A 32 6.134 3.698 2.151 1.00 0.00 H new ATOM 0 HB3 SER A 32 5.502 3.050 3.651 1.00 0.00 H new ATOM 0 HG SER A 32 3.334 3.798 2.649 1.00 0.00 H new ATOM 364 N GLU A 33 4.711 5.576 5.798 1.00 0.00 N ATOM 365 CA GLU A 33 3.864 5.636 6.989 1.00 0.00 C ATOM 366 C GLU A 33 2.656 6.554 6.774 1.00 0.00 C ATOM 367 O GLU A 33 1.640 6.417 7.456 1.00 0.00 O ATOM 368 CB GLU A 33 4.679 6.111 8.198 1.00 0.00 C ATOM 369 CG GLU A 33 3.954 5.949 9.527 1.00 0.00 C ATOM 370 CD GLU A 33 3.622 7.275 10.183 1.00 0.00 C ATOM 371 OE1 GLU A 33 2.710 7.972 9.693 1.00 0.00 O ATOM 372 OE2 GLU A 33 4.272 7.613 11.192 1.00 0.00 O ATOM 0 H GLU A 33 5.681 5.847 5.958 1.00 0.00 H new ATOM 0 HA GLU A 33 3.491 4.630 7.182 1.00 0.00 H new ATOM 0 HB2 GLU A 33 5.615 5.554 8.235 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.937 7.161 8.061 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.033 5.388 9.367 1.00 0.00 H new ATOM 0 HG3 GLU A 33 4.573 5.360 10.203 1.00 0.00 H new ATOM 379 N VAL A 34 2.763 7.479 5.820 1.00 0.00 N ATOM 380 CA VAL A 34 1.667 8.400 5.521 1.00 0.00 C ATOM 381 C VAL A 34 0.417 7.640 5.057 1.00 0.00 C ATOM 382 O VAL A 34 -0.709 8.106 5.251 1.00 0.00 O ATOM 383 CB VAL A 34 2.074 9.423 4.437 1.00 0.00 C ATOM 384 CG1 VAL A 34 0.976 10.455 4.227 1.00 0.00 C ATOM 385 CG2 VAL A 34 3.386 10.101 4.810 1.00 0.00 C ATOM 0 H VAL A 34 3.594 7.610 5.243 1.00 0.00 H new ATOM 0 HA VAL A 34 1.438 8.934 6.443 1.00 0.00 H new ATOM 0 HB VAL A 34 2.218 8.887 3.499 1.00 0.00 H new ATOM 0 HG11 VAL A 34 1.285 11.164 3.459 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.061 9.954 3.910 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.794 10.987 5.161 1.00 0.00 H new ATOM 0 HG21 VAL A 34 3.658 10.818 4.036 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.270 10.620 5.761 1.00 0.00 H new ATOM 0 HG23 VAL A 34 4.171 9.350 4.900 1.00 0.00 H new ATOM 395 N PHE A 35 0.624 6.470 4.447 1.00 0.00 N ATOM 396 CA PHE A 35 -0.476 5.648 3.958 1.00 0.00 C ATOM 397 C PHE A 35 -0.587 4.351 4.763 1.00 0.00 C ATOM 398 O PHE A 35 -0.471 3.253 4.212 1.00 0.00 O ATOM 399 CB PHE A 35 -0.273 5.336 2.468 1.00 0.00 C ATOM 400 CG PHE A 35 0.287 6.486 1.676 1.00 0.00 C ATOM 401 CD1 PHE A 35 -0.552 7.457 1.157 1.00 0.00 C ATOM 402 CD2 PHE A 35 1.651 6.592 1.453 1.00 0.00 C ATOM 403 CE1 PHE A 35 -0.041 8.515 0.430 1.00 0.00 C ATOM 404 CE2 PHE A 35 2.167 7.648 0.727 1.00 0.00 C ATOM 405 CZ PHE A 35 1.320 8.611 0.214 1.00 0.00 C ATOM 0 H PHE A 35 1.549 6.073 4.282 1.00 0.00 H new ATOM 0 HA PHE A 35 -1.406 6.204 4.082 1.00 0.00 H new ATOM 0 HB2 PHE A 35 0.397 4.482 2.374 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -1.229 5.040 2.035 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -1.617 7.387 1.322 1.00 0.00 H new ATOM 0 HD2 PHE A 35 2.317 5.841 1.851 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -0.706 9.267 0.031 1.00 0.00 H new ATOM 0 HE2 PHE A 35 3.232 7.721 0.561 1.00 0.00 H new ATOM 0 HZ PHE A 35 1.721 9.437 -0.355 1.00 0.00 H new ATOM 415 N ILE A 36 -0.817 4.485 6.072 1.00 0.00 N ATOM 416 CA ILE A 36 -0.947 3.326 6.952 1.00 0.00 C ATOM 417 C ILE A 36 -2.394 3.152 7.413 1.00 0.00 C ATOM 418 O ILE A 36 -2.961 2.072 7.274 1.00 0.00 O ATOM 419 CB ILE A 36 -0.019 3.437 8.185 1.00 0.00 C ATOM 420 CG1 ILE A 36 1.444 3.509 7.738 1.00 0.00 C ATOM 421 CG2 ILE A 36 -0.236 2.261 9.136 1.00 0.00 C ATOM 422 CD1 ILE A 36 1.959 2.238 7.094 1.00 0.00 C ATOM 0 H ILE A 36 -0.917 5.384 6.543 1.00 0.00 H new ATOM 0 HA ILE A 36 -0.647 2.452 6.374 1.00 0.00 H new ATOM 0 HB ILE A 36 -0.265 4.353 8.723 1.00 0.00 H new ATOM 0 HG12 ILE A 36 1.557 4.332 7.032 1.00 0.00 H new ATOM 0 HG13 ILE A 36 2.065 3.743 8.602 1.00 0.00 H new ATOM 0 HG21 ILE A 36 0.427 2.361 9.995 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -1.272 2.254 9.476 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -0.019 1.328 8.616 1.00 0.00 H new ATOM 0 HD11 ILE A 36 3.002 2.372 6.807 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.881 1.414 7.803 1.00 0.00 H new ATOM 0 HD13 ILE A 36 1.365 2.012 6.209 1.00 0.00 H new ATOM 434 N GLN A 37 -2.981 4.219 7.958 1.00 0.00 N ATOM 435 CA GLN A 37 -4.364 4.177 8.434 1.00 0.00 C ATOM 436 C GLN A 37 -5.226 5.218 7.718 1.00 0.00 C ATOM 437 O GLN A 37 -4.898 6.406 7.710 1.00 0.00 O ATOM 438 CB GLN A 37 -4.417 4.401 9.951 1.00 0.00 C ATOM 439 CG GLN A 37 -3.905 5.766 10.399 1.00 0.00 C ATOM 440 CD GLN A 37 -3.261 5.727 11.774 1.00 0.00 C ATOM 441 OE1 GLN A 37 -2.190 6.294 11.985 1.00 0.00 O ATOM 442 NE2 GLN A 37 -3.911 5.054 12.722 1.00 0.00 N ATOM 0 H GLN A 37 -2.521 5.121 8.080 1.00 0.00 H new ATOM 0 HA GLN A 37 -4.765 3.189 8.208 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -5.447 4.283 10.289 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -3.829 3.626 10.442 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -3.180 6.134 9.673 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -4.733 6.475 10.410 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -4.797 4.597 12.507 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -3.523 4.995 13.663 1.00 0.00 H new ATOM 451 N LEU A 38 -6.331 4.765 7.119 1.00 0.00 N ATOM 452 CA LEU A 38 -7.242 5.661 6.402 1.00 0.00 C ATOM 453 C LEU A 38 -8.112 6.456 7.378 1.00 0.00 C ATOM 454 O LEU A 38 -8.588 5.916 8.379 1.00 0.00 O ATOM 455 CB LEU A 38 -8.139 4.870 5.442 1.00 0.00 C ATOM 456 CG LEU A 38 -8.156 5.382 3.998 1.00 0.00 C ATOM 457 CD1 LEU A 38 -7.295 4.500 3.104 1.00 0.00 C ATOM 458 CD2 LEU A 38 -9.583 5.451 3.472 1.00 0.00 C ATOM 0 H LEU A 38 -6.616 3.786 7.116 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.632 6.358 5.827 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -7.813 3.830 5.439 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -9.158 4.883 5.828 1.00 0.00 H new ATOM 0 HG LEU A 38 -7.738 6.388 3.987 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -7.321 4.881 2.083 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -6.267 4.506 3.468 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -7.679 3.480 3.120 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -9.575 5.817 2.445 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -10.029 4.457 3.500 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -10.168 6.129 4.094 1.00 0.00 H new ATOM 470 N PRO A 39 -8.336 7.757 7.091 1.00 0.00 N ATOM 471 CA PRO A 39 -9.157 8.630 7.941 1.00 0.00 C ATOM 472 C PRO A 39 -10.652 8.349 7.792 1.00 0.00 C ATOM 473 O PRO A 39 -11.048 7.378 7.145 1.00 0.00 O ATOM 474 CB PRO A 39 -8.814 10.031 7.427 1.00 0.00 C ATOM 475 CG PRO A 39 -8.467 9.827 5.994 1.00 0.00 C ATOM 476 CD PRO A 39 -7.806 8.476 5.913 1.00 0.00 C ATOM 0 HA PRO A 39 -8.952 8.486 9.002 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -9.658 10.712 7.538 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -7.980 10.464 7.980 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -9.359 9.863 5.368 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -7.797 10.611 5.640 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -8.056 7.963 4.984 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -6.720 8.559 5.949 1.00 0.00 H new ATOM 484 N SER A 40 -11.480 9.199 8.397 1.00 0.00 N ATOM 485 CA SER A 40 -12.929 9.032 8.331 1.00 0.00 C ATOM 486 C SER A 40 -13.493 9.591 7.026 1.00 0.00 C ATOM 487 O SER A 40 -13.083 10.660 6.569 1.00 0.00 O ATOM 488 CB SER A 40 -13.598 9.714 9.527 1.00 0.00 C ATOM 489 OG SER A 40 -14.944 9.293 9.666 1.00 0.00 O ATOM 0 H SER A 40 -11.172 10.008 8.937 1.00 0.00 H new ATOM 0 HA SER A 40 -13.144 7.964 8.363 1.00 0.00 H new ATOM 0 HB2 SER A 40 -13.045 9.483 10.438 1.00 0.00 H new ATOM 0 HB3 SER A 40 -13.563 10.796 9.399 1.00 0.00 H new ATOM 0 HG SER A 40 -15.151 9.168 10.616 1.00 0.00 H new ATOM 495 N ARG A 41 -14.442 8.862 6.435 1.00 0.00 N ATOM 496 CA ARG A 41 -15.070 9.284 5.185 1.00 0.00 C ATOM 497 C ARG A 41 -15.781 10.625 5.356 1.00 0.00 C ATOM 498 O ARG A 41 -15.677 11.502 4.499 1.00 0.00 O ATOM 499 CB ARG A 41 -16.068 8.232 4.698 1.00 0.00 C ATOM 500 CG ARG A 41 -16.124 8.109 3.184 1.00 0.00 C ATOM 501 CD ARG A 41 -17.555 8.163 2.672 1.00 0.00 C ATOM 502 NE ARG A 41 -17.797 9.336 1.828 1.00 0.00 N ATOM 503 CZ ARG A 41 -19.010 9.824 1.551 1.00 0.00 C ATOM 504 NH1 ARG A 41 -20.102 9.248 2.048 1.00 0.00 N ATOM 505 NH2 ARG A 41 -19.133 10.891 0.769 1.00 0.00 N ATOM 0 H ARG A 41 -14.791 7.977 6.803 1.00 0.00 H new ATOM 0 HA ARG A 41 -14.281 9.397 4.441 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -15.802 7.265 5.124 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -17.061 8.483 5.072 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -15.544 8.913 2.731 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -15.662 7.171 2.877 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -17.770 7.258 2.104 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -18.242 8.179 3.518 1.00 0.00 H new ATOM 0 HE ARG A 41 -16.988 9.810 1.426 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -20.018 8.426 2.646 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -21.023 9.628 1.831 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -18.302 11.337 0.381 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -20.058 11.264 0.557 1.00 0.00 H new ATOM 519 N LYS A 42 -16.497 10.778 6.474 1.00 0.00 N ATOM 520 CA LYS A 42 -17.220 12.018 6.762 1.00 0.00 C ATOM 521 C LYS A 42 -16.250 13.185 6.977 1.00 0.00 C ATOM 522 O LYS A 42 -16.587 14.335 6.699 1.00 0.00 O ATOM 523 CB LYS A 42 -18.128 11.856 7.991 1.00 0.00 C ATOM 524 CG LYS A 42 -17.450 11.216 9.196 1.00 0.00 C ATOM 525 CD LYS A 42 -17.852 9.756 9.353 1.00 0.00 C ATOM 526 CE LYS A 42 -17.868 9.333 10.814 1.00 0.00 C ATOM 527 NZ LYS A 42 -19.254 9.262 11.359 1.00 0.00 N ATOM 0 H LYS A 42 -16.591 10.060 7.192 1.00 0.00 H new ATOM 0 HA LYS A 42 -17.844 12.240 5.896 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -18.505 12.837 8.280 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -18.991 11.252 7.712 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -16.368 11.287 9.086 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -17.715 11.766 10.099 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -18.839 9.601 8.918 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -17.157 9.125 8.799 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -17.388 8.359 10.915 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -17.283 10.039 11.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -19.220 8.970 12.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -19.704 10.197 11.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -19.806 8.569 10.814 1.00 0.00 H new ATOM 541 N GLU A 43 -15.042 12.878 7.466 1.00 0.00 N ATOM 542 CA GLU A 43 -14.022 13.900 7.706 1.00 0.00 C ATOM 543 C GLU A 43 -13.560 14.526 6.392 1.00 0.00 C ATOM 544 O GLU A 43 -13.404 15.743 6.296 1.00 0.00 O ATOM 545 CB GLU A 43 -12.823 13.303 8.451 1.00 0.00 C ATOM 546 CG GLU A 43 -12.932 13.418 9.965 1.00 0.00 C ATOM 547 CD GLU A 43 -11.950 14.413 10.558 1.00 0.00 C ATOM 548 OE1 GLU A 43 -11.802 15.518 9.992 1.00 0.00 O ATOM 549 OE2 GLU A 43 -11.333 14.089 11.595 1.00 0.00 O ATOM 0 H GLU A 43 -14.750 11.930 7.702 1.00 0.00 H new ATOM 0 HA GLU A 43 -14.468 14.679 8.325 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -12.724 12.252 8.180 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -11.913 13.805 8.121 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -13.947 13.716 10.229 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -12.762 12.438 10.411 1.00 0.00 H new ATOM 556 N LEU A 44 -13.344 13.682 5.382 1.00 0.00 N ATOM 557 CA LEU A 44 -12.900 14.147 4.071 1.00 0.00 C ATOM 558 C LEU A 44 -13.609 13.379 2.951 1.00 0.00 C ATOM 559 O LEU A 44 -12.993 12.568 2.253 1.00 0.00 O ATOM 560 CB LEU A 44 -11.379 14.002 3.933 1.00 0.00 C ATOM 561 CG LEU A 44 -10.801 12.682 4.454 1.00 0.00 C ATOM 562 CD1 LEU A 44 -9.598 12.259 3.622 1.00 0.00 C ATOM 563 CD2 LEU A 44 -10.424 12.808 5.925 1.00 0.00 C ATOM 0 H LEU A 44 -13.470 12.672 5.449 1.00 0.00 H new ATOM 0 HA LEU A 44 -13.159 15.202 3.982 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -11.114 14.106 2.881 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -10.902 14.825 4.465 1.00 0.00 H new ATOM 0 HG LEU A 44 -11.566 11.910 4.363 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -9.201 11.320 4.007 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -9.902 12.126 2.584 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -8.828 13.028 3.679 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -10.015 11.861 6.278 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -9.677 13.593 6.043 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -11.310 13.060 6.507 1.00 0.00 H new ATOM 575 N PRO A 45 -14.923 13.632 2.761 1.00 0.00 N ATOM 576 CA PRO A 45 -15.720 12.968 1.717 1.00 0.00 C ATOM 577 C PRO A 45 -15.146 13.178 0.312 1.00 0.00 C ATOM 578 O PRO A 45 -15.376 12.364 -0.584 1.00 0.00 O ATOM 579 CB PRO A 45 -17.096 13.636 1.836 1.00 0.00 C ATOM 580 CG PRO A 45 -17.140 14.169 3.225 1.00 0.00 C ATOM 581 CD PRO A 45 -15.733 14.582 3.546 1.00 0.00 C ATOM 0 HA PRO A 45 -15.740 11.887 1.854 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -17.214 14.433 1.102 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -17.900 12.921 1.661 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -17.823 15.015 3.298 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -17.495 13.412 3.924 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -15.539 15.614 3.256 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -15.523 14.506 4.613 1.00 0.00 H new ATOM 589 N GLU A 46 -14.386 14.266 0.135 1.00 0.00 N ATOM 590 CA GLU A 46 -13.764 14.583 -1.154 1.00 0.00 C ATOM 591 C GLU A 46 -12.771 13.493 -1.568 1.00 0.00 C ATOM 592 O GLU A 46 -12.596 13.223 -2.756 1.00 0.00 O ATOM 593 CB GLU A 46 -13.048 15.938 -1.080 1.00 0.00 C ATOM 594 CG GLU A 46 -11.918 15.986 -0.056 1.00 0.00 C ATOM 595 CD GLU A 46 -11.918 17.261 0.771 1.00 0.00 C ATOM 596 OE1 GLU A 46 -11.839 18.357 0.177 1.00 0.00 O ATOM 597 OE2 GLU A 46 -11.990 17.160 2.014 1.00 0.00 O ATOM 0 H GLU A 46 -14.187 14.943 0.872 1.00 0.00 H new ATOM 0 HA GLU A 46 -14.553 14.634 -1.905 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -12.644 16.178 -2.063 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -13.778 16.711 -0.837 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -12.003 15.128 0.610 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -10.963 15.895 -0.573 1.00 0.00 H new ATOM 604 N TYR A 47 -12.129 12.864 -0.583 1.00 0.00 N ATOM 605 CA TYR A 47 -11.166 11.801 -0.850 1.00 0.00 C ATOM 606 C TYR A 47 -11.870 10.541 -1.362 1.00 0.00 C ATOM 607 O TYR A 47 -11.351 9.846 -2.235 1.00 0.00 O ATOM 608 CB TYR A 47 -10.361 11.478 0.413 1.00 0.00 C ATOM 609 CG TYR A 47 -9.056 10.763 0.139 1.00 0.00 C ATOM 610 CD1 TYR A 47 -8.056 11.363 -0.619 1.00 0.00 C ATOM 611 CD2 TYR A 47 -8.822 9.490 0.642 1.00 0.00 C ATOM 612 CE1 TYR A 47 -6.863 10.714 -0.866 1.00 0.00 C ATOM 613 CE2 TYR A 47 -7.631 8.834 0.400 1.00 0.00 C ATOM 614 CZ TYR A 47 -6.656 9.450 -0.356 1.00 0.00 C ATOM 615 OH TYR A 47 -5.467 8.801 -0.599 1.00 0.00 O ATOM 0 H TYR A 47 -12.260 13.074 0.406 1.00 0.00 H new ATOM 0 HA TYR A 47 -10.483 12.152 -1.624 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -10.151 12.405 0.946 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -10.971 10.861 1.073 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -8.215 12.353 -1.021 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -9.585 9.004 1.233 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -6.096 11.194 -1.456 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -7.464 7.845 0.800 1.00 0.00 H new ATOM 0 HH TYR A 47 -5.481 7.921 -0.169 1.00 0.00 H new ATOM 625 N TYR A 48 -13.055 10.254 -0.815 1.00 0.00 N ATOM 626 CA TYR A 48 -13.828 9.081 -1.225 1.00 0.00 C ATOM 627 C TYR A 48 -14.260 9.187 -2.689 1.00 0.00 C ATOM 628 O TYR A 48 -14.127 8.228 -3.452 1.00 0.00 O ATOM 629 CB TYR A 48 -15.058 8.911 -0.329 1.00 0.00 C ATOM 630 CG TYR A 48 -15.775 7.591 -0.526 1.00 0.00 C ATOM 631 CD1 TYR A 48 -15.236 6.407 -0.041 1.00 0.00 C ATOM 632 CD2 TYR A 48 -16.990 7.532 -1.199 1.00 0.00 C ATOM 633 CE1 TYR A 48 -15.885 5.201 -0.220 1.00 0.00 C ATOM 634 CE2 TYR A 48 -17.646 6.331 -1.381 1.00 0.00 C ATOM 635 CZ TYR A 48 -17.090 5.168 -0.890 1.00 0.00 C ATOM 636 OH TYR A 48 -17.741 3.968 -1.069 1.00 0.00 O ATOM 0 H TYR A 48 -13.498 10.817 -0.089 1.00 0.00 H new ATOM 0 HA TYR A 48 -13.186 8.206 -1.120 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -14.752 8.996 0.714 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -15.755 9.726 -0.525 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -14.293 6.429 0.485 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -17.428 8.440 -1.586 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -15.451 4.289 0.163 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -18.590 6.302 -1.905 1.00 0.00 H new ATOM 0 HH TYR A 48 -18.576 4.119 -1.559 1.00 0.00 H new ATOM 646 N GLU A 49 -14.773 10.357 -3.080 1.00 0.00 N ATOM 647 CA GLU A 49 -15.215 10.576 -4.461 1.00 0.00 C ATOM 648 C GLU A 49 -14.020 10.666 -5.413 1.00 0.00 C ATOM 649 O GLU A 49 -14.100 10.228 -6.562 1.00 0.00 O ATOM 650 CB GLU A 49 -16.076 11.842 -4.572 1.00 0.00 C ATOM 651 CG GLU A 49 -15.375 13.119 -4.128 1.00 0.00 C ATOM 652 CD GLU A 49 -15.605 14.273 -5.084 1.00 0.00 C ATOM 653 OE1 GLU A 49 -14.889 14.352 -6.105 1.00 0.00 O ATOM 654 OE2 GLU A 49 -16.508 15.093 -4.816 1.00 0.00 O ATOM 0 H GLU A 49 -14.892 11.162 -2.465 1.00 0.00 H new ATOM 0 HA GLU A 49 -15.824 9.719 -4.750 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -16.397 11.959 -5.607 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -16.976 11.708 -3.972 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -15.730 13.398 -3.136 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -14.305 12.931 -4.042 1.00 0.00 H new ATOM 661 N LEU A 50 -12.913 11.229 -4.923 1.00 0.00 N ATOM 662 CA LEU A 50 -11.695 11.372 -5.720 1.00 0.00 C ATOM 663 C LEU A 50 -10.993 10.023 -5.900 1.00 0.00 C ATOM 664 O LEU A 50 -10.492 9.715 -6.983 1.00 0.00 O ATOM 665 CB LEU A 50 -10.747 12.378 -5.054 1.00 0.00 C ATOM 666 CG LEU A 50 -9.418 12.613 -5.778 1.00 0.00 C ATOM 667 CD1 LEU A 50 -9.524 13.804 -6.719 1.00 0.00 C ATOM 668 CD2 LEU A 50 -8.296 12.819 -4.769 1.00 0.00 C ATOM 0 H LEU A 50 -12.836 11.594 -3.974 1.00 0.00 H new ATOM 0 HA LEU A 50 -11.974 11.742 -6.707 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -11.265 13.333 -4.963 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -10.533 12.034 -4.042 1.00 0.00 H new ATOM 0 HG LEU A 50 -9.186 11.731 -6.374 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -8.570 13.955 -7.224 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -10.301 13.614 -7.460 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -9.778 14.697 -6.148 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -7.357 12.985 -5.298 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -8.520 13.686 -4.147 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -8.206 11.934 -4.139 1.00 0.00 H new ATOM 680 N ILE A 51 -10.960 9.227 -4.831 1.00 0.00 N ATOM 681 CA ILE A 51 -10.320 7.912 -4.858 1.00 0.00 C ATOM 682 C ILE A 51 -11.338 6.800 -4.601 1.00 0.00 C ATOM 683 O ILE A 51 -11.771 6.592 -3.467 1.00 0.00 O ATOM 684 CB ILE A 51 -9.189 7.815 -3.806 1.00 0.00 C ATOM 685 CG1 ILE A 51 -8.263 9.036 -3.893 1.00 0.00 C ATOM 686 CG2 ILE A 51 -8.396 6.524 -3.983 1.00 0.00 C ATOM 687 CD1 ILE A 51 -7.544 9.164 -5.220 1.00 0.00 C ATOM 0 H ILE A 51 -11.372 9.472 -3.931 1.00 0.00 H new ATOM 0 HA ILE A 51 -9.892 7.787 -5.853 1.00 0.00 H new ATOM 0 HB ILE A 51 -9.645 7.801 -2.816 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -8.849 9.938 -3.720 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -7.524 8.978 -3.094 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -7.606 6.476 -3.233 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -9.061 5.669 -3.864 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.953 6.503 -4.979 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -6.909 10.050 -5.206 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -6.930 8.279 -5.388 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -8.276 9.255 -6.023 1.00 0.00 H new ATOM 699 N ARG A 52 -11.711 6.079 -5.661 1.00 0.00 N ATOM 700 CA ARG A 52 -12.679 4.983 -5.544 1.00 0.00 C ATOM 701 C ARG A 52 -11.993 3.648 -5.216 1.00 0.00 C ATOM 702 O ARG A 52 -12.452 2.586 -5.643 1.00 0.00 O ATOM 703 CB ARG A 52 -13.494 4.852 -6.838 1.00 0.00 C ATOM 704 CG ARG A 52 -14.578 5.908 -6.986 1.00 0.00 C ATOM 705 CD ARG A 52 -15.760 5.630 -6.068 1.00 0.00 C ATOM 706 NE ARG A 52 -16.431 6.859 -5.647 1.00 0.00 N ATOM 707 CZ ARG A 52 -17.280 7.553 -6.416 1.00 0.00 C ATOM 708 NH1 ARG A 52 -17.551 7.151 -7.659 1.00 0.00 N ATOM 709 NH2 ARG A 52 -17.857 8.652 -5.941 1.00 0.00 N ATOM 0 H ARG A 52 -11.360 6.232 -6.606 1.00 0.00 H new ATOM 0 HA ARG A 52 -13.349 5.224 -4.718 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -12.818 4.916 -7.691 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -13.954 3.864 -6.869 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -14.163 6.890 -6.759 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -14.919 5.937 -8.021 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -16.474 4.986 -6.582 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -15.415 5.086 -5.188 1.00 0.00 H new ATOM 0 HE ARG A 52 -16.240 7.210 -4.708 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -17.110 6.309 -8.030 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -18.199 7.685 -8.238 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -17.653 8.966 -4.992 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -18.504 9.182 -6.525 1.00 0.00 H new ATOM 723 N LYS A 53 -10.902 3.712 -4.446 1.00 0.00 N ATOM 724 CA LYS A 53 -10.154 2.516 -4.044 1.00 0.00 C ATOM 725 C LYS A 53 -9.100 2.867 -2.986 1.00 0.00 C ATOM 726 O LYS A 53 -7.901 2.670 -3.200 1.00 0.00 O ATOM 727 CB LYS A 53 -9.480 1.870 -5.264 1.00 0.00 C ATOM 728 CG LYS A 53 -10.235 0.673 -5.818 1.00 0.00 C ATOM 729 CD LYS A 53 -10.466 0.808 -7.314 1.00 0.00 C ATOM 730 CE LYS A 53 -11.485 -0.203 -7.816 1.00 0.00 C ATOM 731 NZ LYS A 53 -11.045 -0.856 -9.079 1.00 0.00 N ATOM 0 H LYS A 53 -10.515 4.585 -4.087 1.00 0.00 H new ATOM 0 HA LYS A 53 -10.857 1.804 -3.612 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -9.377 2.619 -6.050 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -8.473 1.557 -4.988 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -9.673 -0.239 -5.616 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -11.193 0.577 -5.307 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -10.812 1.817 -7.540 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -9.523 0.668 -7.843 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -11.648 -0.963 -7.052 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -12.441 0.295 -7.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -11.767 -1.538 -9.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -10.914 -0.134 -9.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -10.146 -1.353 -8.918 1.00 0.00 H new ATOM 745 N PRO A 54 -9.535 3.399 -1.826 1.00 0.00 N ATOM 746 CA PRO A 54 -8.623 3.779 -0.744 1.00 0.00 C ATOM 747 C PRO A 54 -8.101 2.575 0.035 1.00 0.00 C ATOM 748 O PRO A 54 -8.806 2.014 0.878 1.00 0.00 O ATOM 749 CB PRO A 54 -9.491 4.665 0.148 1.00 0.00 C ATOM 750 CG PRO A 54 -10.879 4.164 -0.058 1.00 0.00 C ATOM 751 CD PRO A 54 -10.945 3.679 -1.483 1.00 0.00 C ATOM 0 HA PRO A 54 -7.727 4.273 -1.120 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -9.193 4.587 1.194 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -9.403 5.715 -0.131 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -11.109 3.358 0.638 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -11.608 4.955 0.118 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -11.564 2.786 -1.573 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -11.375 4.433 -2.143 1.00 0.00 H new ATOM 759 N VAL A 55 -6.862 2.184 -0.250 1.00 0.00 N ATOM 760 CA VAL A 55 -6.238 1.050 0.426 1.00 0.00 C ATOM 761 C VAL A 55 -5.019 1.498 1.230 1.00 0.00 C ATOM 762 O VAL A 55 -4.109 2.133 0.694 1.00 0.00 O ATOM 763 CB VAL A 55 -5.830 -0.061 -0.568 1.00 0.00 C ATOM 764 CG1 VAL A 55 -7.060 -0.640 -1.251 1.00 0.00 C ATOM 765 CG2 VAL A 55 -4.833 0.455 -1.603 1.00 0.00 C ATOM 0 H VAL A 55 -6.269 2.637 -0.946 1.00 0.00 H new ATOM 0 HA VAL A 55 -6.983 0.638 1.107 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.339 -0.853 -0.002 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.756 -1.421 -1.948 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.728 -1.063 -0.500 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -7.579 0.149 -1.795 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -4.567 -0.352 -2.286 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -5.283 1.273 -2.165 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -3.936 0.812 -1.097 1.00 0.00 H new ATOM 775 N ASP A 56 -5.017 1.174 2.522 1.00 0.00 N ATOM 776 CA ASP A 56 -3.920 1.548 3.414 1.00 0.00 C ATOM 777 C ASP A 56 -3.244 0.309 4.006 1.00 0.00 C ATOM 778 O ASP A 56 -3.712 -0.815 3.814 1.00 0.00 O ATOM 779 CB ASP A 56 -4.432 2.463 4.535 1.00 0.00 C ATOM 780 CG ASP A 56 -5.636 1.894 5.265 1.00 0.00 C ATOM 781 OD1 ASP A 56 -6.752 1.962 4.714 1.00 0.00 O ATOM 782 OD2 ASP A 56 -5.463 1.379 6.385 1.00 0.00 O ATOM 0 H ASP A 56 -5.766 0.651 2.976 1.00 0.00 H new ATOM 0 HA ASP A 56 -3.178 2.090 2.828 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -3.628 2.635 5.251 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -4.696 3.433 4.113 1.00 0.00 H new ATOM 787 N PHE A 57 -2.134 0.526 4.720 1.00 0.00 N ATOM 788 CA PHE A 57 -1.380 -0.569 5.339 1.00 0.00 C ATOM 789 C PHE A 57 -2.249 -1.384 6.296 1.00 0.00 C ATOM 790 O PHE A 57 -2.163 -2.611 6.324 1.00 0.00 O ATOM 791 CB PHE A 57 -0.151 -0.029 6.079 1.00 0.00 C ATOM 792 CG PHE A 57 0.936 -1.055 6.276 1.00 0.00 C ATOM 793 CD1 PHE A 57 0.755 -2.117 7.150 1.00 0.00 C ATOM 794 CD2 PHE A 57 2.135 -0.958 5.585 1.00 0.00 C ATOM 795 CE1 PHE A 57 1.747 -3.061 7.331 1.00 0.00 C ATOM 796 CE2 PHE A 57 3.131 -1.900 5.763 1.00 0.00 C ATOM 797 CZ PHE A 57 2.937 -2.952 6.636 1.00 0.00 C ATOM 0 H PHE A 57 -1.738 1.452 4.883 1.00 0.00 H new ATOM 0 HA PHE A 57 -1.052 -1.230 4.537 1.00 0.00 H new ATOM 0 HB2 PHE A 57 0.255 0.816 5.523 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -0.461 0.350 7.053 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -0.173 -2.207 7.696 1.00 0.00 H new ATOM 0 HD2 PHE A 57 2.292 -0.138 4.900 1.00 0.00 H new ATOM 0 HE1 PHE A 57 1.593 -3.883 8.014 1.00 0.00 H new ATOM 0 HE2 PHE A 57 4.060 -1.813 5.220 1.00 0.00 H new ATOM 0 HZ PHE A 57 3.714 -3.689 6.776 1.00 0.00 H new ATOM 807 N LYS A 58 -3.081 -0.700 7.077 1.00 0.00 N ATOM 808 CA LYS A 58 -3.960 -1.374 8.032 1.00 0.00 C ATOM 809 C LYS A 58 -5.059 -2.147 7.308 1.00 0.00 C ATOM 810 O LYS A 58 -5.402 -3.263 7.698 1.00 0.00 O ATOM 811 CB LYS A 58 -4.579 -0.362 9.000 1.00 0.00 C ATOM 812 CG LYS A 58 -3.565 0.591 9.608 1.00 0.00 C ATOM 813 CD LYS A 58 -3.126 0.126 10.984 1.00 0.00 C ATOM 814 CE LYS A 58 -3.618 1.065 12.076 1.00 0.00 C ATOM 815 NZ LYS A 58 -3.604 0.420 13.417 1.00 0.00 N ATOM 0 H LYS A 58 -3.166 0.316 7.069 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.358 -2.082 8.602 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -5.339 0.216 8.473 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -5.086 -0.900 9.801 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.697 0.667 8.954 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -3.998 1.589 9.680 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -3.507 -0.878 11.168 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -2.038 0.065 11.018 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -2.991 1.957 12.096 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -4.631 1.393 11.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -3.947 1.095 14.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -4.222 -0.416 13.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -2.633 0.130 13.653 1.00 0.00 H new ATOM 829 N LYS A 59 -5.596 -1.546 6.249 1.00 0.00 N ATOM 830 CA LYS A 59 -6.654 -2.174 5.457 1.00 0.00 C ATOM 831 C LYS A 59 -6.154 -3.463 4.806 1.00 0.00 C ATOM 832 O LYS A 59 -6.837 -4.486 4.845 1.00 0.00 O ATOM 833 CB LYS A 59 -7.161 -1.214 4.379 1.00 0.00 C ATOM 834 CG LYS A 59 -8.653 -1.336 4.100 1.00 0.00 C ATOM 835 CD LYS A 59 -8.953 -1.263 2.608 1.00 0.00 C ATOM 836 CE LYS A 59 -10.188 -0.418 2.320 1.00 0.00 C ATOM 837 NZ LYS A 59 -11.424 -0.998 2.921 1.00 0.00 N ATOM 0 H LYS A 59 -5.316 -0.623 5.918 1.00 0.00 H new ATOM 0 HA LYS A 59 -7.476 -2.418 6.131 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -6.940 -0.191 4.684 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -6.612 -1.397 3.455 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -9.022 -2.280 4.500 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -9.187 -0.540 4.618 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -8.094 -0.842 2.085 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -9.102 -2.270 2.217 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -10.035 0.589 2.709 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -10.319 -0.326 1.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -12.237 -0.389 2.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -11.586 -1.948 2.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -11.311 -1.062 3.953 1.00 0.00 H new ATOM 851 N ILE A 60 -4.961 -3.406 4.210 1.00 0.00 N ATOM 852 CA ILE A 60 -4.376 -4.575 3.557 1.00 0.00 C ATOM 853 C ILE A 60 -3.970 -5.639 4.583 1.00 0.00 C ATOM 854 O ILE A 60 -4.196 -6.829 4.366 1.00 0.00 O ATOM 855 CB ILE A 60 -3.155 -4.197 2.677 1.00 0.00 C ATOM 856 CG1 ILE A 60 -2.641 -5.424 1.918 1.00 0.00 C ATOM 857 CG2 ILE A 60 -2.039 -3.583 3.511 1.00 0.00 C ATOM 858 CD1 ILE A 60 -2.184 -5.114 0.509 1.00 0.00 C ATOM 0 H ILE A 60 -4.385 -2.566 4.167 1.00 0.00 H new ATOM 0 HA ILE A 60 -5.147 -4.989 2.907 1.00 0.00 H new ATOM 0 HB ILE A 60 -3.483 -3.449 1.955 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.811 -5.863 2.472 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -3.431 -6.174 1.879 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -1.199 -3.330 2.864 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -2.405 -2.681 4.001 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -1.713 -4.299 4.266 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.833 -6.028 0.031 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -3.017 -4.703 -0.061 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -1.373 -4.387 0.541 1.00 0.00 H new ATOM 870 N LYS A 61 -3.380 -5.204 5.703 1.00 0.00 N ATOM 871 CA LYS A 61 -2.956 -6.128 6.759 1.00 0.00 C ATOM 872 C LYS A 61 -4.162 -6.819 7.397 1.00 0.00 C ATOM 873 O LYS A 61 -4.133 -8.023 7.655 1.00 0.00 O ATOM 874 CB LYS A 61 -2.145 -5.393 7.837 1.00 0.00 C ATOM 875 CG LYS A 61 -0.926 -6.167 8.321 1.00 0.00 C ATOM 876 CD LYS A 61 -1.305 -7.539 8.859 1.00 0.00 C ATOM 877 CE LYS A 61 -0.074 -8.354 9.227 1.00 0.00 C ATOM 878 NZ LYS A 61 -0.405 -9.493 10.130 1.00 0.00 N ATOM 0 H LYS A 61 -3.186 -4.222 5.900 1.00 0.00 H new ATOM 0 HA LYS A 61 -2.322 -6.886 6.299 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -1.820 -4.431 7.441 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -2.793 -5.185 8.688 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -0.218 -6.281 7.500 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -0.420 -5.598 9.101 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -1.942 -7.424 9.736 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -1.888 -8.076 8.111 1.00 0.00 H new ATOM 0 HE2 LYS A 61 0.392 -8.736 8.319 1.00 0.00 H new ATOM 0 HE3 LYS A 61 0.657 -7.707 9.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 0.462 -10.021 10.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -0.826 -9.129 11.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -1.082 -10.125 9.657 1.00 0.00 H new ATOM 892 N GLU A 62 -5.224 -6.052 7.646 1.00 0.00 N ATOM 893 CA GLU A 62 -6.440 -6.598 8.246 1.00 0.00 C ATOM 894 C GLU A 62 -7.189 -7.489 7.255 1.00 0.00 C ATOM 895 O GLU A 62 -7.731 -8.529 7.634 1.00 0.00 O ATOM 896 CB GLU A 62 -7.357 -5.468 8.726 1.00 0.00 C ATOM 897 CG GLU A 62 -8.225 -5.855 9.916 1.00 0.00 C ATOM 898 CD GLU A 62 -9.691 -6.031 9.559 1.00 0.00 C ATOM 899 OE1 GLU A 62 -10.216 -5.222 8.763 1.00 0.00 O ATOM 900 OE2 GLU A 62 -10.317 -6.980 10.079 1.00 0.00 O ATOM 0 H GLU A 62 -5.266 -5.054 7.442 1.00 0.00 H new ATOM 0 HA GLU A 62 -6.145 -7.205 9.102 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -6.747 -4.606 8.996 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -8.000 -5.158 7.902 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -7.849 -6.784 10.344 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -8.135 -5.089 10.686 1.00 0.00 H new ATOM 907 N ARG A 63 -7.219 -7.076 5.985 1.00 0.00 N ATOM 908 CA ARG A 63 -7.907 -7.839 4.944 1.00 0.00 C ATOM 909 C ARG A 63 -7.243 -9.196 4.714 1.00 0.00 C ATOM 910 O ARG A 63 -7.928 -10.218 4.637 1.00 0.00 O ATOM 911 CB ARG A 63 -7.942 -7.050 3.633 1.00 0.00 C ATOM 912 CG ARG A 63 -9.192 -6.200 3.469 1.00 0.00 C ATOM 913 CD ARG A 63 -9.050 -5.208 2.323 1.00 0.00 C ATOM 914 NE ARG A 63 -10.170 -5.291 1.386 1.00 0.00 N ATOM 915 CZ ARG A 63 -10.234 -6.156 0.366 1.00 0.00 C ATOM 916 NH1 ARG A 63 -9.238 -7.010 0.138 1.00 0.00 N ATOM 917 NH2 ARG A 63 -11.301 -6.164 -0.428 1.00 0.00 N ATOM 0 H ARG A 63 -6.775 -6.219 5.655 1.00 0.00 H new ATOM 0 HA ARG A 63 -8.928 -8.012 5.286 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -7.065 -6.405 3.583 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -7.874 -7.746 2.797 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -10.051 -6.846 3.287 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -9.390 -5.661 4.395 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -8.987 -4.197 2.724 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -8.118 -5.399 1.792 1.00 0.00 H new ATOM 0 HE ARG A 63 -10.952 -4.649 1.518 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -8.417 -7.009 0.743 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -9.296 -7.665 -0.642 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -12.067 -5.512 -0.259 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -11.353 -6.822 -1.206 1.00 0.00 H new ATOM 931 N ILE A 64 -5.911 -9.206 4.601 1.00 0.00 N ATOM 932 CA ILE A 64 -5.169 -10.451 4.377 1.00 0.00 C ATOM 933 C ILE A 64 -5.433 -11.467 5.492 1.00 0.00 C ATOM 934 O ILE A 64 -5.367 -12.674 5.265 1.00 0.00 O ATOM 935 CB ILE A 64 -3.642 -10.220 4.250 1.00 0.00 C ATOM 936 CG1 ILE A 64 -3.057 -9.635 5.541 1.00 0.00 C ATOM 937 CG2 ILE A 64 -3.332 -9.314 3.065 1.00 0.00 C ATOM 938 CD1 ILE A 64 -1.696 -10.197 5.897 1.00 0.00 C ATOM 0 H ILE A 64 -5.327 -8.372 4.660 1.00 0.00 H new ATOM 0 HA ILE A 64 -5.533 -10.848 3.429 1.00 0.00 H new ATOM 0 HB ILE A 64 -3.173 -11.189 4.079 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.978 -8.553 5.437 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -3.747 -9.827 6.363 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -2.255 -9.164 2.993 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -3.696 -9.777 2.148 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -3.824 -8.351 3.205 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -1.343 -9.739 6.821 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -1.772 -11.276 6.033 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -0.992 -9.982 5.093 1.00 0.00 H new ATOM 950 N ARG A 65 -5.740 -10.969 6.693 1.00 0.00 N ATOM 951 CA ARG A 65 -6.022 -11.836 7.837 1.00 0.00 C ATOM 952 C ARG A 65 -7.254 -12.710 7.575 1.00 0.00 C ATOM 953 O ARG A 65 -7.324 -13.848 8.037 1.00 0.00 O ATOM 954 CB ARG A 65 -6.228 -10.993 9.103 1.00 0.00 C ATOM 955 CG ARG A 65 -5.605 -11.596 10.352 1.00 0.00 C ATOM 956 CD ARG A 65 -4.110 -11.828 10.183 1.00 0.00 C ATOM 957 NE ARG A 65 -3.422 -11.936 11.469 1.00 0.00 N ATOM 958 CZ ARG A 65 -3.440 -13.028 12.242 1.00 0.00 C ATOM 959 NH1 ARG A 65 -4.129 -14.108 11.871 1.00 0.00 N ATOM 960 NH2 ARG A 65 -2.775 -13.038 13.392 1.00 0.00 N ATOM 0 H ARG A 65 -5.799 -9.971 6.897 1.00 0.00 H new ATOM 0 HA ARG A 65 -5.165 -12.494 7.984 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -5.805 -10.002 8.940 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -7.297 -10.860 9.270 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -5.776 -10.933 11.200 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -6.096 -12.542 10.583 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -3.948 -12.739 9.608 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -3.679 -11.008 9.609 1.00 0.00 H new ATOM 0 HE ARG A 65 -2.895 -11.127 11.798 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -4.647 -14.105 10.992 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -4.138 -14.937 12.466 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -2.251 -12.213 13.685 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -2.788 -13.870 13.982 1.00 0.00 H new ATOM 974 N ASN A 66 -8.217 -12.168 6.824 1.00 0.00 N ATOM 975 CA ASN A 66 -9.444 -12.894 6.486 1.00 0.00 C ATOM 976 C ASN A 66 -9.296 -13.672 5.168 1.00 0.00 C ATOM 977 O ASN A 66 -10.289 -14.134 4.603 1.00 0.00 O ATOM 978 CB ASN A 66 -10.627 -11.920 6.389 1.00 0.00 C ATOM 979 CG ASN A 66 -10.819 -11.098 7.657 1.00 0.00 C ATOM 980 OD1 ASN A 66 -10.492 -11.544 8.756 1.00 0.00 O ATOM 981 ND2 ASN A 66 -11.357 -9.888 7.509 1.00 0.00 N ATOM 0 H ASN A 66 -8.170 -11.225 6.437 1.00 0.00 H new ATOM 0 HA ASN A 66 -9.632 -13.614 7.282 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -10.470 -11.248 5.546 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -11.538 -12.482 6.184 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -11.511 -9.295 8.325 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -11.615 -9.555 6.580 1.00 0.00 H new ATOM 988 N HIS A 67 -8.054 -13.803 4.677 1.00 0.00 N ATOM 989 CA HIS A 67 -7.777 -14.515 3.429 1.00 0.00 C ATOM 990 C HIS A 67 -8.325 -13.742 2.225 1.00 0.00 C ATOM 991 O HIS A 67 -9.028 -14.298 1.378 1.00 0.00 O ATOM 992 CB HIS A 67 -8.358 -15.933 3.470 1.00 0.00 C ATOM 993 CG HIS A 67 -7.507 -16.944 2.766 1.00 0.00 C ATOM 994 ND1 HIS A 67 -6.285 -17.363 3.245 1.00 0.00 N ATOM 995 CD2 HIS A 67 -7.709 -17.622 1.611 1.00 0.00 C ATOM 996 CE1 HIS A 67 -5.772 -18.255 2.418 1.00 0.00 C ATOM 997 NE2 HIS A 67 -6.616 -18.432 1.417 1.00 0.00 N ATOM 0 H HIS A 67 -7.224 -13.421 5.131 1.00 0.00 H new ATOM 0 HA HIS A 67 -6.695 -14.592 3.319 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -8.485 -16.236 4.509 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -9.349 -15.925 3.017 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -5.845 -17.035 4.105 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -8.569 -17.541 0.963 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -4.823 -18.756 2.539 1.00 0.00 H new ATOM 1006 N LYS A 68 -7.995 -12.454 2.160 1.00 0.00 N ATOM 1007 CA LYS A 68 -8.446 -11.599 1.064 1.00 0.00 C ATOM 1008 C LYS A 68 -7.588 -11.802 -0.182 1.00 0.00 C ATOM 1009 O LYS A 68 -8.113 -11.918 -1.291 1.00 0.00 O ATOM 1010 CB LYS A 68 -8.421 -10.126 1.488 1.00 0.00 C ATOM 1011 CG LYS A 68 -9.802 -9.541 1.754 1.00 0.00 C ATOM 1012 CD LYS A 68 -10.587 -10.373 2.759 1.00 0.00 C ATOM 1013 CE LYS A 68 -11.772 -11.069 2.103 1.00 0.00 C ATOM 1014 NZ LYS A 68 -12.583 -11.841 3.087 1.00 0.00 N ATOM 0 H LYS A 68 -7.417 -11.979 2.853 1.00 0.00 H new ATOM 0 HA LYS A 68 -9.471 -11.880 0.821 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -7.815 -10.027 2.388 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -7.933 -9.541 0.709 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -9.699 -8.522 2.128 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -10.358 -9.482 0.818 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -9.930 -11.117 3.209 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -10.942 -9.732 3.566 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -12.404 -10.326 1.616 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -11.412 -11.741 1.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -13.379 -12.298 2.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -11.988 -12.567 3.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -12.949 -11.197 3.817 1.00 0.00 H new ATOM 1028 N TYR A 69 -6.268 -11.835 0.003 1.00 0.00 N ATOM 1029 CA TYR A 69 -5.342 -12.018 -1.110 1.00 0.00 C ATOM 1030 C TYR A 69 -4.759 -13.430 -1.116 1.00 0.00 C ATOM 1031 O TYR A 69 -4.358 -13.953 -0.075 1.00 0.00 O ATOM 1032 CB TYR A 69 -4.213 -10.982 -1.041 1.00 0.00 C ATOM 1033 CG TYR A 69 -4.696 -9.549 -1.153 1.00 0.00 C ATOM 1034 CD1 TYR A 69 -5.312 -9.087 -2.311 1.00 0.00 C ATOM 1035 CD2 TYR A 69 -4.545 -8.665 -0.092 1.00 0.00 C ATOM 1036 CE1 TYR A 69 -5.764 -7.788 -2.404 1.00 0.00 C ATOM 1037 CE2 TYR A 69 -4.992 -7.363 -0.181 1.00 0.00 C ATOM 1038 CZ TYR A 69 -5.602 -6.930 -1.336 1.00 0.00 C ATOM 1039 OH TYR A 69 -6.052 -5.633 -1.417 1.00 0.00 O ATOM 0 H TYR A 69 -5.818 -11.737 0.913 1.00 0.00 H new ATOM 0 HA TYR A 69 -5.899 -11.876 -2.036 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -3.677 -11.103 -0.100 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -3.500 -11.180 -1.842 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -5.438 -9.756 -3.150 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -4.070 -9.003 0.817 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -6.243 -7.444 -3.309 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -4.864 -6.687 0.651 1.00 0.00 H new ATOM 0 HH TYR A 69 -6.313 -5.434 -2.341 1.00 0.00 H new ATOM 1049 N ARG A 70 -4.718 -14.036 -2.302 1.00 0.00 N ATOM 1050 CA ARG A 70 -4.186 -15.390 -2.467 1.00 0.00 C ATOM 1051 C ARG A 70 -2.922 -15.384 -3.329 1.00 0.00 C ATOM 1052 O ARG A 70 -1.942 -16.058 -3.007 1.00 0.00 O ATOM 1053 CB ARG A 70 -5.242 -16.296 -3.104 1.00 0.00 C ATOM 1054 CG ARG A 70 -5.119 -17.757 -2.699 1.00 0.00 C ATOM 1055 CD ARG A 70 -6.335 -18.223 -1.916 1.00 0.00 C ATOM 1056 NE ARG A 70 -7.458 -18.567 -2.791 1.00 0.00 N ATOM 1057 CZ ARG A 70 -7.560 -19.717 -3.466 1.00 0.00 C ATOM 1058 NH1 ARG A 70 -6.604 -20.641 -3.379 1.00 0.00 N ATOM 1059 NH2 ARG A 70 -8.623 -19.944 -4.233 1.00 0.00 N ATOM 0 H ARG A 70 -5.048 -13.609 -3.167 1.00 0.00 H new ATOM 0 HA ARG A 70 -3.927 -15.773 -1.480 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -6.233 -15.934 -2.828 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -5.166 -16.221 -4.189 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -5.001 -18.374 -3.590 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -4.222 -17.894 -2.095 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -6.067 -19.091 -1.314 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -6.642 -17.438 -1.225 1.00 0.00 H new ATOM 0 HE ARG A 70 -8.210 -17.886 -2.892 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -5.785 -20.474 -2.794 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -6.691 -21.515 -3.898 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -9.359 -19.241 -4.306 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -8.702 -20.821 -4.748 1.00 0.00 H new ATOM 1073 N SER A 71 -2.956 -14.624 -4.426 1.00 0.00 N ATOM 1074 CA SER A 71 -1.819 -14.531 -5.339 1.00 0.00 C ATOM 1075 C SER A 71 -1.090 -13.199 -5.172 1.00 0.00 C ATOM 1076 O SER A 71 -1.659 -12.229 -4.664 1.00 0.00 O ATOM 1077 CB SER A 71 -2.284 -14.686 -6.793 1.00 0.00 C ATOM 1078 OG SER A 71 -3.328 -15.641 -6.904 1.00 0.00 O ATOM 0 H SER A 71 -3.762 -14.063 -4.702 1.00 0.00 H new ATOM 0 HA SER A 71 -1.129 -15.339 -5.095 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.628 -13.723 -7.171 1.00 0.00 H new ATOM 0 HB3 SER A 71 -1.442 -14.991 -7.415 1.00 0.00 H new ATOM 0 HG SER A 71 -3.604 -15.716 -7.841 1.00 0.00 H new ATOM 1084 N LEU A 72 0.168 -13.157 -5.610 1.00 0.00 N ATOM 1085 CA LEU A 72 0.980 -11.942 -5.517 1.00 0.00 C ATOM 1086 C LEU A 72 0.522 -10.887 -6.527 1.00 0.00 C ATOM 1087 O LEU A 72 0.700 -9.690 -6.299 1.00 0.00 O ATOM 1088 CB LEU A 72 2.462 -12.265 -5.741 1.00 0.00 C ATOM 1089 CG LEU A 72 3.190 -12.894 -4.546 1.00 0.00 C ATOM 1090 CD1 LEU A 72 3.185 -11.947 -3.353 1.00 0.00 C ATOM 1091 CD2 LEU A 72 2.562 -14.231 -4.173 1.00 0.00 C ATOM 0 H LEU A 72 0.648 -13.951 -6.033 1.00 0.00 H new ATOM 0 HA LEU A 72 0.850 -11.537 -4.514 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.544 -12.942 -6.591 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.979 -11.345 -6.016 1.00 0.00 H new ATOM 0 HG LEU A 72 4.225 -13.073 -4.836 1.00 0.00 H new ATOM 0 HD11 LEU A 72 3.706 -12.413 -2.517 1.00 0.00 H new ATOM 0 HD12 LEU A 72 3.689 -11.019 -3.623 1.00 0.00 H new ATOM 0 HD13 LEU A 72 2.156 -11.731 -3.064 1.00 0.00 H new ATOM 0 HD21 LEU A 72 3.094 -14.659 -3.323 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.516 -14.080 -3.907 1.00 0.00 H new ATOM 0 HD23 LEU A 72 2.626 -14.912 -5.021 1.00 0.00 H new ATOM 1103 N ASN A 73 -0.065 -11.336 -7.643 1.00 0.00 N ATOM 1104 CA ASN A 73 -0.548 -10.426 -8.685 1.00 0.00 C ATOM 1105 C ASN A 73 -1.522 -9.400 -8.105 1.00 0.00 C ATOM 1106 O ASN A 73 -1.440 -8.211 -8.418 1.00 0.00 O ATOM 1107 CB ASN A 73 -1.230 -11.212 -9.815 1.00 0.00 C ATOM 1108 CG ASN A 73 -0.243 -11.971 -10.687 1.00 0.00 C ATOM 1109 OD1 ASN A 73 0.968 -11.920 -10.469 1.00 0.00 O ATOM 1110 ND2 ASN A 73 -0.758 -12.687 -11.683 1.00 0.00 N ATOM 0 H ASN A 73 -0.216 -12.324 -7.846 1.00 0.00 H new ATOM 0 HA ASN A 73 0.314 -9.897 -9.092 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -1.941 -11.916 -9.383 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -1.801 -10.523 -10.437 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -0.144 -13.220 -12.299 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -1.767 -12.703 -11.831 1.00 0.00 H new ATOM 1117 N ASP A 74 -2.436 -9.867 -7.254 1.00 0.00 N ATOM 1118 CA ASP A 74 -3.420 -8.990 -6.622 1.00 0.00 C ATOM 1119 C ASP A 74 -2.738 -7.985 -5.696 1.00 0.00 C ATOM 1120 O ASP A 74 -3.054 -6.795 -5.719 1.00 0.00 O ATOM 1121 CB ASP A 74 -4.444 -9.813 -5.835 1.00 0.00 C ATOM 1122 CG ASP A 74 -5.696 -10.106 -6.641 1.00 0.00 C ATOM 1123 OD1 ASP A 74 -6.354 -9.144 -7.089 1.00 0.00 O ATOM 1124 OD2 ASP A 74 -6.016 -11.300 -6.822 1.00 0.00 O ATOM 0 H ASP A 74 -2.515 -10.848 -6.987 1.00 0.00 H new ATOM 0 HA ASP A 74 -3.936 -8.441 -7.410 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -3.988 -10.753 -5.523 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -4.718 -9.275 -4.927 1.00 0.00 H new ATOM 1129 N LEU A 75 -1.798 -8.475 -4.885 1.00 0.00 N ATOM 1130 CA LEU A 75 -1.063 -7.624 -3.949 1.00 0.00 C ATOM 1131 C LEU A 75 -0.265 -6.551 -4.694 1.00 0.00 C ATOM 1132 O LEU A 75 -0.314 -5.375 -4.338 1.00 0.00 O ATOM 1133 CB LEU A 75 -0.122 -8.475 -3.085 1.00 0.00 C ATOM 1134 CG LEU A 75 -0.108 -8.132 -1.591 1.00 0.00 C ATOM 1135 CD1 LEU A 75 0.416 -6.721 -1.363 1.00 0.00 C ATOM 1136 CD2 LEU A 75 -1.498 -8.293 -0.992 1.00 0.00 C ATOM 0 H LEU A 75 -1.528 -9.458 -4.858 1.00 0.00 H new ATOM 0 HA LEU A 75 -1.787 -7.126 -3.304 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -0.402 -9.522 -3.197 1.00 0.00 H new ATOM 0 HB3 LEU A 75 0.891 -8.373 -3.473 1.00 0.00 H new ATOM 0 HG LEU A 75 0.565 -8.827 -1.089 1.00 0.00 H new ATOM 0 HD11 LEU A 75 0.416 -6.501 -0.295 1.00 0.00 H new ATOM 0 HD12 LEU A 75 1.432 -6.643 -1.750 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -0.225 -6.007 -1.880 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -1.468 -8.045 0.069 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -2.193 -7.625 -1.501 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -1.830 -9.324 -1.114 1.00 0.00 H new ATOM 1148 N GLU A 76 0.465 -6.967 -5.732 1.00 0.00 N ATOM 1149 CA GLU A 76 1.273 -6.043 -6.528 1.00 0.00 C ATOM 1150 C GLU A 76 0.411 -4.932 -7.124 1.00 0.00 C ATOM 1151 O GLU A 76 0.757 -3.752 -7.033 1.00 0.00 O ATOM 1152 CB GLU A 76 2.002 -6.795 -7.645 1.00 0.00 C ATOM 1153 CG GLU A 76 3.071 -5.965 -8.344 1.00 0.00 C ATOM 1154 CD GLU A 76 3.151 -6.241 -9.835 1.00 0.00 C ATOM 1155 OE1 GLU A 76 2.139 -6.026 -10.536 1.00 0.00 O ATOM 1156 OE2 GLU A 76 4.229 -6.668 -10.300 1.00 0.00 O ATOM 0 H GLU A 76 0.512 -7.938 -6.040 1.00 0.00 H new ATOM 0 HA GLU A 76 2.010 -5.588 -5.866 1.00 0.00 H new ATOM 0 HB2 GLU A 76 2.464 -7.690 -7.227 1.00 0.00 H new ATOM 0 HB3 GLU A 76 1.272 -7.128 -8.383 1.00 0.00 H new ATOM 0 HG2 GLU A 76 2.863 -4.907 -8.186 1.00 0.00 H new ATOM 0 HG3 GLU A 76 4.040 -6.171 -7.889 1.00 0.00 H new ATOM 1163 N LYS A 77 -0.714 -5.316 -7.726 1.00 0.00 N ATOM 1164 CA LYS A 77 -1.632 -4.351 -8.329 1.00 0.00 C ATOM 1165 C LYS A 77 -2.204 -3.404 -7.270 1.00 0.00 C ATOM 1166 O LYS A 77 -2.420 -2.221 -7.540 1.00 0.00 O ATOM 1167 CB LYS A 77 -2.771 -5.077 -9.053 1.00 0.00 C ATOM 1168 CG LYS A 77 -3.152 -4.445 -10.385 1.00 0.00 C ATOM 1169 CD LYS A 77 -3.737 -5.471 -11.345 1.00 0.00 C ATOM 1170 CE LYS A 77 -4.572 -4.808 -12.433 1.00 0.00 C ATOM 1171 NZ LYS A 77 -6.024 -4.780 -12.093 1.00 0.00 N ATOM 0 H LYS A 77 -1.011 -6.288 -7.809 1.00 0.00 H new ATOM 0 HA LYS A 77 -1.071 -3.760 -9.053 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -2.479 -6.113 -9.223 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -3.648 -5.095 -8.406 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -3.877 -3.649 -10.216 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -2.272 -3.985 -10.835 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -2.930 -6.043 -11.803 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -4.355 -6.178 -10.791 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -4.218 -3.789 -12.590 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -4.431 -5.342 -13.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -6.552 -4.320 -12.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -6.370 -5.753 -11.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -6.164 -4.248 -11.211 1.00 0.00 H new ATOM 1185 N ASP A 78 -2.442 -3.931 -6.066 1.00 0.00 N ATOM 1186 CA ASP A 78 -2.987 -3.131 -4.970 1.00 0.00 C ATOM 1187 C ASP A 78 -1.978 -2.093 -4.481 1.00 0.00 C ATOM 1188 O ASP A 78 -2.316 -0.920 -4.319 1.00 0.00 O ATOM 1189 CB ASP A 78 -3.409 -4.032 -3.805 1.00 0.00 C ATOM 1190 CG ASP A 78 -4.668 -3.536 -3.122 1.00 0.00 C ATOM 1191 OD1 ASP A 78 -5.768 -3.764 -3.670 1.00 0.00 O ATOM 1192 OD2 ASP A 78 -4.554 -2.918 -2.043 1.00 0.00 O ATOM 0 H ASP A 78 -2.266 -4.907 -5.827 1.00 0.00 H new ATOM 0 HA ASP A 78 -3.862 -2.605 -5.352 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -3.573 -5.045 -4.173 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -2.600 -4.084 -3.077 1.00 0.00 H new ATOM 1197 N VAL A 79 -0.738 -2.528 -4.248 1.00 0.00 N ATOM 1198 CA VAL A 79 0.314 -1.624 -3.775 1.00 0.00 C ATOM 1199 C VAL A 79 0.610 -0.543 -4.816 1.00 0.00 C ATOM 1200 O VAL A 79 0.730 0.636 -4.478 1.00 0.00 O ATOM 1201 CB VAL A 79 1.624 -2.376 -3.434 1.00 0.00 C ATOM 1202 CG1 VAL A 79 2.614 -1.450 -2.738 1.00 0.00 C ATOM 1203 CG2 VAL A 79 1.346 -3.605 -2.576 1.00 0.00 C ATOM 0 H VAL A 79 -0.438 -3.494 -4.378 1.00 0.00 H new ATOM 0 HA VAL A 79 -0.061 -1.162 -2.862 1.00 0.00 H new ATOM 0 HB VAL A 79 2.068 -2.713 -4.371 1.00 0.00 H new ATOM 0 HG11 VAL A 79 3.527 -2.000 -2.508 1.00 0.00 H new ATOM 0 HG12 VAL A 79 2.851 -0.612 -3.393 1.00 0.00 H new ATOM 0 HG13 VAL A 79 2.174 -1.075 -1.814 1.00 0.00 H new ATOM 0 HG21 VAL A 79 2.284 -4.113 -2.353 1.00 0.00 H new ATOM 0 HG22 VAL A 79 0.869 -3.299 -1.645 1.00 0.00 H new ATOM 0 HG23 VAL A 79 0.686 -4.284 -3.116 1.00 0.00 H new ATOM 1213 N MET A 80 0.716 -0.953 -6.083 1.00 0.00 N ATOM 1214 CA MET A 80 0.984 -0.016 -7.174 1.00 0.00 C ATOM 1215 C MET A 80 -0.126 1.033 -7.267 1.00 0.00 C ATOM 1216 O MET A 80 0.141 2.208 -7.524 1.00 0.00 O ATOM 1217 CB MET A 80 1.114 -0.764 -8.506 1.00 0.00 C ATOM 1218 CG MET A 80 2.552 -1.083 -8.895 1.00 0.00 C ATOM 1219 SD MET A 80 2.702 -2.663 -9.753 1.00 0.00 S ATOM 1220 CE MET A 80 4.484 -2.843 -9.825 1.00 0.00 C ATOM 0 H MET A 80 0.620 -1.925 -6.377 1.00 0.00 H new ATOM 0 HA MET A 80 1.926 0.490 -6.964 1.00 0.00 H new ATOM 0 HB2 MET A 80 0.549 -1.694 -8.446 1.00 0.00 H new ATOM 0 HB3 MET A 80 0.659 -0.165 -9.294 1.00 0.00 H new ATOM 0 HG2 MET A 80 2.937 -0.288 -9.534 1.00 0.00 H new ATOM 0 HG3 MET A 80 3.172 -1.100 -7.999 1.00 0.00 H new ATOM 0 HE1 MET A 80 4.807 -2.849 -10.866 1.00 0.00 H new ATOM 0 HE2 MET A 80 4.955 -2.010 -9.303 1.00 0.00 H new ATOM 0 HE3 MET A 80 4.775 -3.780 -9.350 1.00 0.00 H new ATOM 1230 N LEU A 81 -1.372 0.599 -7.045 1.00 0.00 N ATOM 1231 CA LEU A 81 -2.526 1.499 -7.088 1.00 0.00 C ATOM 1232 C LEU A 81 -2.427 2.570 -6.000 1.00 0.00 C ATOM 1233 O LEU A 81 -2.774 3.728 -6.228 1.00 0.00 O ATOM 1234 CB LEU A 81 -3.830 0.710 -6.925 1.00 0.00 C ATOM 1235 CG LEU A 81 -5.011 1.234 -7.750 1.00 0.00 C ATOM 1236 CD1 LEU A 81 -5.094 0.508 -9.085 1.00 0.00 C ATOM 1237 CD2 LEU A 81 -6.313 1.084 -6.973 1.00 0.00 C ATOM 0 H LEU A 81 -1.605 -0.371 -6.834 1.00 0.00 H new ATOM 0 HA LEU A 81 -2.529 1.992 -8.060 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -3.646 -0.328 -7.201 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -4.111 0.715 -5.872 1.00 0.00 H new ATOM 0 HG LEU A 81 -4.851 2.294 -7.948 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -5.938 0.893 -9.657 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -4.173 0.669 -9.645 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -5.231 -0.559 -8.911 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -7.141 1.461 -7.574 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -6.481 0.032 -6.744 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -6.250 1.652 -6.045 1.00 0.00 H new ATOM 1249 N LEU A 82 -1.944 2.174 -4.818 1.00 0.00 N ATOM 1250 CA LEU A 82 -1.793 3.102 -3.696 1.00 0.00 C ATOM 1251 C LEU A 82 -0.850 4.248 -4.062 1.00 0.00 C ATOM 1252 O LEU A 82 -1.135 5.411 -3.775 1.00 0.00 O ATOM 1253 CB LEU A 82 -1.254 2.367 -2.463 1.00 0.00 C ATOM 1254 CG LEU A 82 -1.771 2.881 -1.117 1.00 0.00 C ATOM 1255 CD1 LEU A 82 -1.249 2.010 0.016 1.00 0.00 C ATOM 1256 CD2 LEU A 82 -1.373 4.336 -0.904 1.00 0.00 C ATOM 0 H LEU A 82 -1.652 1.218 -4.615 1.00 0.00 H new ATOM 0 HA LEU A 82 -2.775 3.515 -3.467 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -1.507 1.310 -2.551 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -0.166 2.436 -2.466 1.00 0.00 H new ATOM 0 HG LEU A 82 -2.860 2.827 -1.123 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -1.624 2.387 0.967 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -1.589 0.984 -0.127 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -0.159 2.034 0.021 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -1.751 4.679 0.059 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -0.286 4.422 -0.919 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -1.796 4.949 -1.700 1.00 0.00 H new ATOM 1268 N CYS A 83 0.271 3.910 -4.704 1.00 0.00 N ATOM 1269 CA CYS A 83 1.254 4.911 -5.114 1.00 0.00 C ATOM 1270 C CYS A 83 0.641 5.905 -6.102 1.00 0.00 C ATOM 1271 O CYS A 83 0.797 7.118 -5.950 1.00 0.00 O ATOM 1272 CB CYS A 83 2.479 4.236 -5.744 1.00 0.00 C ATOM 1273 SG CYS A 83 4.049 4.682 -4.967 1.00 0.00 S ATOM 0 H CYS A 83 0.519 2.952 -4.950 1.00 0.00 H new ATOM 0 HA CYS A 83 1.569 5.456 -4.224 1.00 0.00 H new ATOM 0 HB2 CYS A 83 2.353 3.155 -5.689 1.00 0.00 H new ATOM 0 HB3 CYS A 83 2.522 4.499 -6.801 1.00 0.00 H new ATOM 0 HG CYS A 83 5.022 4.062 -5.566 1.00 0.00 H new ATOM 1279 N GLN A 84 -0.065 5.383 -7.108 1.00 0.00 N ATOM 1280 CA GLN A 84 -0.708 6.228 -8.116 1.00 0.00 C ATOM 1281 C GLN A 84 -1.832 7.062 -7.504 1.00 0.00 C ATOM 1282 O GLN A 84 -1.964 8.250 -7.805 1.00 0.00 O ATOM 1283 CB GLN A 84 -1.261 5.377 -9.261 1.00 0.00 C ATOM 1284 CG GLN A 84 -0.279 5.194 -10.404 1.00 0.00 C ATOM 1285 CD GLN A 84 -0.637 4.025 -11.298 1.00 0.00 C ATOM 1286 OE1 GLN A 84 -0.177 2.903 -11.085 1.00 0.00 O ATOM 1287 NE2 GLN A 84 -1.463 4.281 -12.305 1.00 0.00 N ATOM 0 H GLN A 84 -0.205 4.382 -7.246 1.00 0.00 H new ATOM 0 HA GLN A 84 0.051 6.905 -8.509 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -1.542 4.398 -8.873 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -2.170 5.842 -9.643 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -0.247 6.106 -11.000 1.00 0.00 H new ATOM 0 HG3 GLN A 84 0.721 5.043 -9.998 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -1.820 5.226 -12.444 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -1.741 3.532 -12.940 1.00 0.00 H new ATOM 1296 N ASN A 85 -2.636 6.436 -6.642 1.00 0.00 N ATOM 1297 CA ASN A 85 -3.745 7.124 -5.982 1.00 0.00 C ATOM 1298 C ASN A 85 -3.235 8.281 -5.118 1.00 0.00 C ATOM 1299 O ASN A 85 -3.905 9.304 -4.979 1.00 0.00 O ATOM 1300 CB ASN A 85 -4.554 6.145 -5.124 1.00 0.00 C ATOM 1301 CG ASN A 85 -5.679 5.476 -5.898 1.00 0.00 C ATOM 1302 OD1 ASN A 85 -5.972 5.842 -7.036 1.00 0.00 O ATOM 1303 ND2 ASN A 85 -6.322 4.488 -5.281 1.00 0.00 N ATOM 0 H ASN A 85 -2.539 5.454 -6.385 1.00 0.00 H new ATOM 0 HA ASN A 85 -4.394 7.531 -6.757 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -3.887 5.380 -4.727 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -4.973 6.677 -4.270 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -7.087 4.005 -5.752 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -6.050 4.213 -4.337 1.00 0.00 H new ATOM 1310 N ALA A 86 -2.039 8.113 -4.550 1.00 0.00 N ATOM 1311 CA ALA A 86 -1.430 9.145 -3.716 1.00 0.00 C ATOM 1312 C ALA A 86 -0.906 10.294 -4.572 1.00 0.00 C ATOM 1313 O ALA A 86 -1.086 11.464 -4.234 1.00 0.00 O ATOM 1314 CB ALA A 86 -0.299 8.557 -2.886 1.00 0.00 C ATOM 0 H ALA A 86 -1.474 7.270 -4.654 1.00 0.00 H new ATOM 0 HA ALA A 86 -2.196 9.534 -3.045 1.00 0.00 H new ATOM 0 HB1 ALA A 86 0.145 9.339 -2.270 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -0.691 7.768 -2.244 1.00 0.00 H new ATOM 0 HB3 ALA A 86 0.461 8.142 -3.548 1.00 0.00 H new ATOM 1320 N GLN A 87 -0.252 9.947 -5.685 1.00 0.00 N ATOM 1321 CA GLN A 87 0.308 10.944 -6.593 1.00 0.00 C ATOM 1322 C GLN A 87 -0.782 11.847 -7.164 1.00 0.00 C ATOM 1323 O GLN A 87 -0.629 13.067 -7.187 1.00 0.00 O ATOM 1324 CB GLN A 87 1.073 10.269 -7.734 1.00 0.00 C ATOM 1325 CG GLN A 87 1.902 11.240 -8.559 1.00 0.00 C ATOM 1326 CD GLN A 87 3.379 10.918 -8.519 1.00 0.00 C ATOM 1327 OE1 GLN A 87 4.035 11.303 -7.433 1.00 0.00 O flip ATOM 1328 NE2 GLN A 87 3.925 10.329 -9.451 1.00 0.00 N flip ATOM 0 H GLN A 87 -0.099 8.981 -5.976 1.00 0.00 H new ATOM 0 HA GLN A 87 0.999 11.559 -6.017 1.00 0.00 H new ATOM 0 HB2 GLN A 87 1.729 9.503 -7.320 1.00 0.00 H new ATOM 0 HB3 GLN A 87 0.364 9.761 -8.388 1.00 0.00 H new ATOM 0 HG2 GLN A 87 1.557 11.220 -9.593 1.00 0.00 H new ATOM 0 HG3 GLN A 87 1.744 12.253 -8.189 1.00 0.00 H new ATOM 0 HE21 GLN A 87 3.381 10.051 -10.268 1.00 0.00 H new ATOM 0 HE22 GLN A 87 4.922 10.118 -9.407 1.00 0.00 H new ATOM 1337 N THR A 88 -1.883 11.245 -7.621 1.00 0.00 N ATOM 1338 CA THR A 88 -2.993 12.016 -8.184 1.00 0.00 C ATOM 1339 C THR A 88 -3.590 12.981 -7.151 1.00 0.00 C ATOM 1340 O THR A 88 -4.182 13.997 -7.518 1.00 0.00 O ATOM 1341 CB THR A 88 -4.082 11.082 -8.733 1.00 0.00 C ATOM 1342 OG1 THR A 88 -5.070 11.821 -9.433 1.00 0.00 O ATOM 1343 CG2 THR A 88 -4.786 10.264 -7.667 1.00 0.00 C ATOM 0 H THR A 88 -2.029 10.236 -7.613 1.00 0.00 H new ATOM 0 HA THR A 88 -2.594 12.610 -9.006 1.00 0.00 H new ATOM 0 HB THR A 88 -3.555 10.394 -9.394 1.00 0.00 H new ATOM 0 HG1 THR A 88 -5.754 11.209 -9.776 1.00 0.00 H new ATOM 0 HG21 THR A 88 -5.540 9.630 -8.134 1.00 0.00 H new ATOM 0 HG22 THR A 88 -4.059 9.640 -7.148 1.00 0.00 H new ATOM 0 HG23 THR A 88 -5.266 10.933 -6.953 1.00 0.00 H new ATOM 1351 N PHE A 89 -3.427 12.665 -5.862 1.00 0.00 N ATOM 1352 CA PHE A 89 -3.948 13.510 -4.789 1.00 0.00 C ATOM 1353 C PHE A 89 -2.952 14.619 -4.432 1.00 0.00 C ATOM 1354 O PHE A 89 -3.356 15.734 -4.097 1.00 0.00 O ATOM 1355 CB PHE A 89 -4.268 12.659 -3.553 1.00 0.00 C ATOM 1356 CG PHE A 89 -4.887 13.431 -2.415 1.00 0.00 C ATOM 1357 CD1 PHE A 89 -6.062 14.145 -2.597 1.00 0.00 C ATOM 1358 CD2 PHE A 89 -4.292 13.435 -1.163 1.00 0.00 C ATOM 1359 CE1 PHE A 89 -6.631 14.848 -1.552 1.00 0.00 C ATOM 1360 CE2 PHE A 89 -4.857 14.137 -0.115 1.00 0.00 C ATOM 1361 CZ PHE A 89 -6.027 14.844 -0.309 1.00 0.00 C ATOM 0 H PHE A 89 -2.938 11.830 -5.539 1.00 0.00 H new ATOM 0 HA PHE A 89 -4.866 13.981 -5.139 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -4.946 11.856 -3.844 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -3.349 12.189 -3.201 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -6.538 14.152 -3.567 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -3.377 12.884 -1.005 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -7.546 15.400 -1.707 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -4.383 14.133 0.856 1.00 0.00 H new ATOM 0 HZ PHE A 89 -6.469 15.393 0.509 1.00 0.00 H new ATOM 1371 N ASN A 90 -1.653 14.310 -4.509 1.00 0.00 N ATOM 1372 CA ASN A 90 -0.609 15.287 -4.195 1.00 0.00 C ATOM 1373 C ASN A 90 -0.087 15.979 -5.460 1.00 0.00 C ATOM 1374 O ASN A 90 -0.566 15.718 -6.566 1.00 0.00 O ATOM 1375 CB ASN A 90 0.547 14.618 -3.429 1.00 0.00 C ATOM 1376 CG ASN A 90 1.299 13.573 -4.245 1.00 0.00 C ATOM 1377 OD1 ASN A 90 1.686 13.814 -5.388 1.00 0.00 O ATOM 1378 ND2 ASN A 90 1.515 12.401 -3.654 1.00 0.00 N ATOM 0 H ASN A 90 -1.302 13.393 -4.785 1.00 0.00 H new ATOM 0 HA ASN A 90 -1.053 16.052 -3.558 1.00 0.00 H new ATOM 0 HB2 ASN A 90 1.249 15.386 -3.104 1.00 0.00 H new ATOM 0 HB3 ASN A 90 0.151 14.147 -2.529 1.00 0.00 H new ATOM 0 HD21 ASN A 90 2.017 11.665 -4.150 1.00 0.00 H new ATOM 0 HD22 ASN A 90 1.179 12.239 -2.705 1.00 0.00 H new ATOM 1385 N LEU A 91 0.896 16.865 -5.284 1.00 0.00 N ATOM 1386 CA LEU A 91 1.489 17.602 -6.397 1.00 0.00 C ATOM 1387 C LEU A 91 2.988 17.822 -6.167 1.00 0.00 C ATOM 1388 O LEU A 91 3.533 17.415 -5.137 1.00 0.00 O ATOM 1389 CB LEU A 91 0.777 18.946 -6.571 1.00 0.00 C ATOM 1390 CG LEU A 91 -0.335 18.963 -7.621 1.00 0.00 C ATOM 1391 CD1 LEU A 91 -1.153 20.240 -7.502 1.00 0.00 C ATOM 1392 CD2 LEU A 91 0.246 18.825 -9.024 1.00 0.00 C ATOM 0 H LEU A 91 1.299 17.089 -4.374 1.00 0.00 H new ATOM 0 HA LEU A 91 1.367 17.013 -7.306 1.00 0.00 H new ATOM 0 HB2 LEU A 91 0.353 19.241 -5.611 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.518 19.700 -6.838 1.00 0.00 H new ATOM 0 HG LEU A 91 -0.993 18.112 -7.442 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -1.941 20.239 -8.255 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -1.600 20.295 -6.509 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -0.505 21.103 -7.656 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -0.562 18.839 -9.755 1.00 0.00 H new ATOM 0 HD22 LEU A 91 0.927 19.654 -9.219 1.00 0.00 H new ATOM 0 HD23 LEU A 91 0.789 17.883 -9.102 1.00 0.00 H new ATOM 1404 N GLU A 92 3.649 18.464 -7.133 1.00 0.00 N ATOM 1405 CA GLU A 92 5.080 18.732 -7.037 1.00 0.00 C ATOM 1406 C GLU A 92 5.368 19.813 -6.001 1.00 0.00 C ATOM 1407 O GLU A 92 4.755 20.882 -6.010 1.00 0.00 O ATOM 1408 CB GLU A 92 5.637 19.152 -8.402 1.00 0.00 C ATOM 1409 CG GLU A 92 5.646 18.031 -9.429 1.00 0.00 C ATOM 1410 CD GLU A 92 6.117 18.493 -10.795 1.00 0.00 C ATOM 1411 OE1 GLU A 92 5.341 19.183 -11.489 1.00 0.00 O ATOM 1412 OE2 GLU A 92 7.262 18.165 -11.170 1.00 0.00 O ATOM 0 H GLU A 92 3.213 18.807 -7.989 1.00 0.00 H new ATOM 0 HA GLU A 92 5.573 17.813 -6.719 1.00 0.00 H new ATOM 0 HB2 GLU A 92 5.044 19.981 -8.787 1.00 0.00 H new ATOM 0 HB3 GLU A 92 6.654 19.522 -8.272 1.00 0.00 H new ATOM 0 HG2 GLU A 92 6.294 17.228 -9.078 1.00 0.00 H new ATOM 0 HG3 GLU A 92 4.642 17.616 -9.517 1.00 0.00 H new ATOM 1419 N GLY A 93 6.313 19.519 -5.112 1.00 0.00 N ATOM 1420 CA GLY A 93 6.692 20.462 -4.070 1.00 0.00 C ATOM 1421 C GLY A 93 6.048 20.148 -2.730 1.00 0.00 C ATOM 1422 O GLY A 93 5.530 21.044 -2.062 1.00 0.00 O ATOM 0 H GLY A 93 6.827 18.638 -5.094 1.00 0.00 H new ATOM 0 HA2 GLY A 93 7.776 20.456 -3.957 1.00 0.00 H new ATOM 0 HA3 GLY A 93 6.409 21.469 -4.377 1.00 0.00 H new ATOM 1426 N SER A 94 6.077 18.873 -2.337 1.00 0.00 N ATOM 1427 CA SER A 94 5.487 18.445 -1.069 1.00 0.00 C ATOM 1428 C SER A 94 6.166 17.180 -0.548 1.00 0.00 C ATOM 1429 O SER A 94 6.691 16.381 -1.328 1.00 0.00 O ATOM 1430 CB SER A 94 3.979 18.194 -1.230 1.00 0.00 C ATOM 1431 OG SER A 94 3.446 18.882 -2.353 1.00 0.00 O ATOM 0 H SER A 94 6.502 18.120 -2.878 1.00 0.00 H new ATOM 0 HA SER A 94 5.640 19.246 -0.346 1.00 0.00 H new ATOM 0 HB2 SER A 94 3.798 17.125 -1.340 1.00 0.00 H new ATOM 0 HB3 SER A 94 3.459 18.514 -0.327 1.00 0.00 H new ATOM 0 HG SER A 94 3.534 18.322 -3.152 1.00 0.00 H new ATOM 1437 N LEU A 95 6.140 17.000 0.775 1.00 0.00 N ATOM 1438 CA LEU A 95 6.746 15.822 1.403 1.00 0.00 C ATOM 1439 C LEU A 95 6.069 14.545 0.907 1.00 0.00 C ATOM 1440 O LEU A 95 6.734 13.543 0.642 1.00 0.00 O ATOM 1441 CB LEU A 95 6.647 15.908 2.933 1.00 0.00 C ATOM 1442 CG LEU A 95 7.702 16.794 3.604 1.00 0.00 C ATOM 1443 CD1 LEU A 95 7.432 18.265 3.316 1.00 0.00 C ATOM 1444 CD2 LEU A 95 7.735 16.537 5.106 1.00 0.00 C ATOM 0 H LEU A 95 5.708 17.652 1.430 1.00 0.00 H new ATOM 0 HA LEU A 95 7.799 15.795 1.125 1.00 0.00 H new ATOM 0 HB2 LEU A 95 5.658 16.284 3.197 1.00 0.00 H new ATOM 0 HB3 LEU A 95 6.726 14.901 3.344 1.00 0.00 H new ATOM 0 HG LEU A 95 8.678 16.541 3.190 1.00 0.00 H new ATOM 0 HD11 LEU A 95 8.193 18.876 3.802 1.00 0.00 H new ATOM 0 HD12 LEU A 95 7.461 18.436 2.240 1.00 0.00 H new ATOM 0 HD13 LEU A 95 6.449 18.536 3.700 1.00 0.00 H new ATOM 0 HD21 LEU A 95 8.489 17.174 5.568 1.00 0.00 H new ATOM 0 HD22 LEU A 95 6.759 16.762 5.535 1.00 0.00 H new ATOM 0 HD23 LEU A 95 7.981 15.491 5.291 1.00 0.00 H new ATOM 1456 N ILE A 96 4.741 14.597 0.772 1.00 0.00 N ATOM 1457 CA ILE A 96 3.963 13.453 0.292 1.00 0.00 C ATOM 1458 C ILE A 96 4.431 13.013 -1.098 1.00 0.00 C ATOM 1459 O ILE A 96 4.507 11.818 -1.383 1.00 0.00 O ATOM 1460 CB ILE A 96 2.449 13.772 0.237 1.00 0.00 C ATOM 1461 CG1 ILE A 96 1.974 14.415 1.546 1.00 0.00 C ATOM 1462 CG2 ILE A 96 1.649 12.507 -0.053 1.00 0.00 C ATOM 1463 CD1 ILE A 96 1.220 15.715 1.349 1.00 0.00 C ATOM 0 H ILE A 96 4.182 15.422 0.989 1.00 0.00 H new ATOM 0 HA ILE A 96 4.126 12.644 1.004 1.00 0.00 H new ATOM 0 HB ILE A 96 2.283 14.485 -0.571 1.00 0.00 H new ATOM 0 HG12 ILE A 96 1.332 13.710 2.075 1.00 0.00 H new ATOM 0 HG13 ILE A 96 2.838 14.600 2.184 1.00 0.00 H new ATOM 0 HG21 ILE A 96 0.587 12.748 -0.088 1.00 0.00 H new ATOM 0 HG22 ILE A 96 1.959 12.092 -1.012 1.00 0.00 H new ATOM 0 HG23 ILE A 96 1.829 11.775 0.734 1.00 0.00 H new ATOM 0 HD11 ILE A 96 0.916 16.110 2.318 1.00 0.00 H new ATOM 0 HD12 ILE A 96 1.865 16.437 0.849 1.00 0.00 H new ATOM 0 HD13 ILE A 96 0.336 15.534 0.738 1.00 0.00 H new ATOM 1475 N TYR A 97 4.745 13.988 -1.957 1.00 0.00 N ATOM 1476 CA TYR A 97 5.210 13.698 -3.314 1.00 0.00 C ATOM 1477 C TYR A 97 6.511 12.890 -3.284 1.00 0.00 C ATOM 1478 O TYR A 97 6.664 11.928 -4.035 1.00 0.00 O ATOM 1479 CB TYR A 97 5.418 14.999 -4.095 1.00 0.00 C ATOM 1480 CG TYR A 97 5.765 14.788 -5.553 1.00 0.00 C ATOM 1481 CD1 TYR A 97 4.813 14.328 -6.454 1.00 0.00 C ATOM 1482 CD2 TYR A 97 7.044 15.050 -6.029 1.00 0.00 C ATOM 1483 CE1 TYR A 97 5.125 14.133 -7.785 1.00 0.00 C ATOM 1484 CE2 TYR A 97 7.364 14.859 -7.359 1.00 0.00 C ATOM 1485 CZ TYR A 97 6.402 14.401 -8.233 1.00 0.00 C ATOM 1486 OH TYR A 97 6.716 14.208 -9.560 1.00 0.00 O ATOM 0 H TYR A 97 4.685 14.982 -1.736 1.00 0.00 H new ATOM 0 HA TYR A 97 4.446 13.103 -3.814 1.00 0.00 H new ATOM 0 HB2 TYR A 97 4.511 15.599 -4.030 1.00 0.00 H new ATOM 0 HB3 TYR A 97 6.214 15.573 -3.621 1.00 0.00 H new ATOM 0 HD1 TYR A 97 3.812 14.119 -6.108 1.00 0.00 H new ATOM 0 HD2 TYR A 97 7.801 15.409 -5.347 1.00 0.00 H new ATOM 0 HE1 TYR A 97 4.373 13.773 -8.472 1.00 0.00 H new ATOM 0 HE2 TYR A 97 8.363 15.068 -7.712 1.00 0.00 H new ATOM 0 HH TYR A 97 7.655 14.444 -9.712 1.00 0.00 H new ATOM 1496 N GLU A 98 7.437 13.284 -2.406 1.00 0.00 N ATOM 1497 CA GLU A 98 8.721 12.588 -2.273 1.00 0.00 C ATOM 1498 C GLU A 98 8.514 11.129 -1.858 1.00 0.00 C ATOM 1499 O GLU A 98 9.218 10.233 -2.330 1.00 0.00 O ATOM 1500 CB GLU A 98 9.603 13.292 -1.236 1.00 0.00 C ATOM 1501 CG GLU A 98 11.047 12.805 -1.234 1.00 0.00 C ATOM 1502 CD GLU A 98 12.009 13.756 -0.543 1.00 0.00 C ATOM 1503 OE1 GLU A 98 11.754 14.980 -0.549 1.00 0.00 O ATOM 1504 OE2 GLU A 98 13.026 13.274 0.001 1.00 0.00 O ATOM 0 H GLU A 98 7.323 14.079 -1.778 1.00 0.00 H new ATOM 0 HA GLU A 98 9.214 12.610 -3.245 1.00 0.00 H new ATOM 0 HB2 GLU A 98 9.590 14.365 -1.428 1.00 0.00 H new ATOM 0 HB3 GLU A 98 9.176 13.141 -0.245 1.00 0.00 H new ATOM 0 HG2 GLU A 98 11.093 11.834 -0.742 1.00 0.00 H new ATOM 0 HG3 GLU A 98 11.373 12.656 -2.263 1.00 0.00 H new ATOM 1511 N ASP A 99 7.546 10.904 -0.970 1.00 0.00 N ATOM 1512 CA ASP A 99 7.234 9.564 -0.474 1.00 0.00 C ATOM 1513 C ASP A 99 6.752 8.646 -1.602 1.00 0.00 C ATOM 1514 O ASP A 99 7.060 7.454 -1.610 1.00 0.00 O ATOM 1515 CB ASP A 99 6.171 9.642 0.632 1.00 0.00 C ATOM 1516 CG ASP A 99 6.677 10.307 1.905 1.00 0.00 C ATOM 1517 OD1 ASP A 99 7.773 10.903 1.882 1.00 0.00 O ATOM 1518 OD2 ASP A 99 5.973 10.231 2.929 1.00 0.00 O ATOM 0 H ASP A 99 6.960 11.640 -0.576 1.00 0.00 H new ATOM 0 HA ASP A 99 8.150 9.139 -0.064 1.00 0.00 H new ATOM 0 HB2 ASP A 99 5.308 10.194 0.259 1.00 0.00 H new ATOM 0 HB3 ASP A 99 5.827 8.635 0.868 1.00 0.00 H new ATOM 1523 N SER A 100 6.004 9.205 -2.556 1.00 0.00 N ATOM 1524 CA SER A 100 5.502 8.424 -3.686 1.00 0.00 C ATOM 1525 C SER A 100 6.648 8.028 -4.619 1.00 0.00 C ATOM 1526 O SER A 100 6.692 6.899 -5.113 1.00 0.00 O ATOM 1527 CB SER A 100 4.433 9.207 -4.457 1.00 0.00 C ATOM 1528 OG SER A 100 5.007 10.259 -5.214 1.00 0.00 O ATOM 0 H SER A 100 5.735 10.189 -2.568 1.00 0.00 H new ATOM 0 HA SER A 100 5.045 7.516 -3.293 1.00 0.00 H new ATOM 0 HB2 SER A 100 3.893 8.532 -5.121 1.00 0.00 H new ATOM 0 HB3 SER A 100 3.704 9.616 -3.757 1.00 0.00 H new ATOM 0 HG SER A 100 4.441 10.449 -5.991 1.00 0.00 H new ATOM 1534 N ILE A 101 7.578 8.960 -4.851 1.00 0.00 N ATOM 1535 CA ILE A 101 8.725 8.698 -5.718 1.00 0.00 C ATOM 1536 C ILE A 101 9.618 7.612 -5.122 1.00 0.00 C ATOM 1537 O ILE A 101 9.994 6.662 -5.809 1.00 0.00 O ATOM 1538 CB ILE A 101 9.570 9.969 -5.966 1.00 0.00 C ATOM 1539 CG1 ILE A 101 8.688 11.111 -6.485 1.00 0.00 C ATOM 1540 CG2 ILE A 101 10.697 9.672 -6.949 1.00 0.00 C ATOM 1541 CD1 ILE A 101 7.975 10.792 -7.783 1.00 0.00 C ATOM 0 H ILE A 101 7.557 9.898 -4.451 1.00 0.00 H new ATOM 0 HA ILE A 101 8.323 8.361 -6.674 1.00 0.00 H new ATOM 0 HB ILE A 101 10.010 10.282 -5.019 1.00 0.00 H new ATOM 0 HG12 ILE A 101 7.946 11.359 -5.725 1.00 0.00 H new ATOM 0 HG13 ILE A 101 9.305 11.998 -6.629 1.00 0.00 H new ATOM 0 HG21 ILE A 101 11.283 10.576 -7.114 1.00 0.00 H new ATOM 0 HG22 ILE A 101 11.340 8.892 -6.541 1.00 0.00 H new ATOM 0 HG23 ILE A 101 10.275 9.336 -7.896 1.00 0.00 H new ATOM 0 HD11 ILE A 101 7.371 11.647 -8.086 1.00 0.00 H new ATOM 0 HD12 ILE A 101 8.710 10.574 -8.558 1.00 0.00 H new ATOM 0 HD13 ILE A 101 7.330 9.925 -7.640 1.00 0.00 H new ATOM 1553 N VAL A 102 9.942 7.751 -3.834 1.00 0.00 N ATOM 1554 CA VAL A 102 10.777 6.770 -3.145 1.00 0.00 C ATOM 1555 C VAL A 102 10.100 5.393 -3.123 1.00 0.00 C ATOM 1556 O VAL A 102 10.758 4.372 -3.326 1.00 0.00 O ATOM 1557 CB VAL A 102 11.128 7.212 -1.702 1.00 0.00 C ATOM 1558 CG1 VAL A 102 9.880 7.364 -0.845 1.00 0.00 C ATOM 1559 CG2 VAL A 102 12.104 6.229 -1.068 1.00 0.00 C ATOM 0 H VAL A 102 9.639 8.531 -3.251 1.00 0.00 H new ATOM 0 HA VAL A 102 11.709 6.700 -3.707 1.00 0.00 H new ATOM 0 HB VAL A 102 11.606 8.190 -1.759 1.00 0.00 H new ATOM 0 HG11 VAL A 102 10.165 7.675 0.160 1.00 0.00 H new ATOM 0 HG12 VAL A 102 9.225 8.116 -1.286 1.00 0.00 H new ATOM 0 HG13 VAL A 102 9.355 6.410 -0.795 1.00 0.00 H new ATOM 0 HG21 VAL A 102 12.341 6.554 -0.055 1.00 0.00 H new ATOM 0 HG22 VAL A 102 11.652 5.238 -1.035 1.00 0.00 H new ATOM 0 HG23 VAL A 102 13.019 6.192 -1.660 1.00 0.00 H new ATOM 1569 N LEU A 103 8.782 5.378 -2.888 1.00 0.00 N ATOM 1570 CA LEU A 103 8.017 4.128 -2.856 1.00 0.00 C ATOM 1571 C LEU A 103 8.085 3.414 -4.205 1.00 0.00 C ATOM 1572 O LEU A 103 8.165 2.186 -4.262 1.00 0.00 O ATOM 1573 CB LEU A 103 6.554 4.395 -2.478 1.00 0.00 C ATOM 1574 CG LEU A 103 6.215 4.164 -1.003 1.00 0.00 C ATOM 1575 CD1 LEU A 103 5.180 5.174 -0.525 1.00 0.00 C ATOM 1576 CD2 LEU A 103 5.720 2.739 -0.786 1.00 0.00 C ATOM 0 H LEU A 103 8.226 6.216 -2.718 1.00 0.00 H new ATOM 0 HA LEU A 103 8.463 3.484 -2.098 1.00 0.00 H new ATOM 0 HB2 LEU A 103 6.311 5.426 -2.734 1.00 0.00 H new ATOM 0 HB3 LEU A 103 5.915 3.756 -3.087 1.00 0.00 H new ATOM 0 HG LEU A 103 7.122 4.304 -0.415 1.00 0.00 H new ATOM 0 HD11 LEU A 103 4.953 4.993 0.526 1.00 0.00 H new ATOM 0 HD12 LEU A 103 5.575 6.183 -0.642 1.00 0.00 H new ATOM 0 HD13 LEU A 103 4.270 5.070 -1.116 1.00 0.00 H new ATOM 0 HD21 LEU A 103 5.484 2.592 0.268 1.00 0.00 H new ATOM 0 HD22 LEU A 103 4.826 2.569 -1.385 1.00 0.00 H new ATOM 0 HD23 LEU A 103 6.496 2.035 -1.085 1.00 0.00 H new ATOM 1588 N GLN A 104 8.065 4.188 -5.291 1.00 0.00 N ATOM 1589 CA GLN A 104 8.143 3.624 -6.635 1.00 0.00 C ATOM 1590 C GLN A 104 9.501 2.961 -6.866 1.00 0.00 C ATOM 1591 O GLN A 104 9.583 1.894 -7.476 1.00 0.00 O ATOM 1592 CB GLN A 104 7.914 4.711 -7.690 1.00 0.00 C ATOM 1593 CG GLN A 104 7.230 4.203 -8.950 1.00 0.00 C ATOM 1594 CD GLN A 104 5.720 4.346 -8.892 1.00 0.00 C ATOM 1595 OE1 GLN A 104 5.151 5.273 -9.467 1.00 0.00 O ATOM 1596 NE2 GLN A 104 5.061 3.423 -8.198 1.00 0.00 N ATOM 0 H GLN A 104 7.996 5.205 -5.264 1.00 0.00 H new ATOM 0 HA GLN A 104 7.362 2.869 -6.727 1.00 0.00 H new ATOM 0 HB2 GLN A 104 7.310 5.507 -7.254 1.00 0.00 H new ATOM 0 HB3 GLN A 104 8.874 5.151 -7.960 1.00 0.00 H new ATOM 0 HG2 GLN A 104 7.610 4.751 -9.812 1.00 0.00 H new ATOM 0 HG3 GLN A 104 7.487 3.154 -9.101 1.00 0.00 H new ATOM 0 HE21 GLN A 104 5.572 2.671 -7.736 1.00 0.00 H new ATOM 0 HE22 GLN A 104 4.044 3.467 -8.127 1.00 0.00 H new ATOM 1605 N SER A 105 10.566 3.602 -6.371 1.00 0.00 N ATOM 1606 CA SER A 105 11.923 3.076 -6.521 1.00 0.00 C ATOM 1607 C SER A 105 12.073 1.726 -5.822 1.00 0.00 C ATOM 1608 O SER A 105 12.580 0.774 -6.413 1.00 0.00 O ATOM 1609 CB SER A 105 12.952 4.071 -5.967 1.00 0.00 C ATOM 1610 OG SER A 105 13.236 5.091 -6.912 1.00 0.00 O ATOM 0 H SER A 105 10.512 4.485 -5.864 1.00 0.00 H new ATOM 0 HA SER A 105 12.107 2.933 -7.586 1.00 0.00 H new ATOM 0 HB2 SER A 105 12.572 4.518 -5.048 1.00 0.00 H new ATOM 0 HB3 SER A 105 13.870 3.544 -5.709 1.00 0.00 H new ATOM 0 HG SER A 105 13.893 5.713 -6.535 1.00 0.00 H new ATOM 1616 N VAL A 106 11.623 1.638 -4.568 1.00 0.00 N ATOM 1617 CA VAL A 106 11.713 0.385 -3.817 1.00 0.00 C ATOM 1618 C VAL A 106 10.877 -0.713 -4.483 1.00 0.00 C ATOM 1619 O VAL A 106 11.293 -1.871 -4.530 1.00 0.00 O ATOM 1620 CB VAL A 106 11.280 0.550 -2.339 1.00 0.00 C ATOM 1621 CG1 VAL A 106 9.852 1.064 -2.228 1.00 0.00 C ATOM 1622 CG2 VAL A 106 11.437 -0.766 -1.589 1.00 0.00 C ATOM 0 H VAL A 106 11.197 2.411 -4.056 1.00 0.00 H new ATOM 0 HA VAL A 106 12.763 0.093 -3.825 1.00 0.00 H new ATOM 0 HB VAL A 106 11.933 1.294 -1.882 1.00 0.00 H new ATOM 0 HG11 VAL A 106 9.583 1.167 -1.177 1.00 0.00 H new ATOM 0 HG12 VAL A 106 9.775 2.034 -2.719 1.00 0.00 H new ATOM 0 HG13 VAL A 106 9.173 0.359 -2.709 1.00 0.00 H new ATOM 0 HG21 VAL A 106 11.129 -0.633 -0.552 1.00 0.00 H new ATOM 0 HG22 VAL A 106 10.815 -1.528 -2.058 1.00 0.00 H new ATOM 0 HG23 VAL A 106 12.480 -1.080 -1.620 1.00 0.00 H new ATOM 1632 N PHE A 107 9.706 -0.338 -5.009 1.00 0.00 N ATOM 1633 CA PHE A 107 8.824 -1.290 -5.685 1.00 0.00 C ATOM 1634 C PHE A 107 9.550 -1.975 -6.845 1.00 0.00 C ATOM 1635 O PHE A 107 9.460 -3.193 -7.008 1.00 0.00 O ATOM 1636 CB PHE A 107 7.571 -0.578 -6.208 1.00 0.00 C ATOM 1637 CG PHE A 107 6.315 -1.408 -6.145 1.00 0.00 C ATOM 1638 CD1 PHE A 107 6.322 -2.746 -6.516 1.00 0.00 C ATOM 1639 CD2 PHE A 107 5.124 -0.846 -5.715 1.00 0.00 C ATOM 1640 CE1 PHE A 107 5.165 -3.501 -6.459 1.00 0.00 C ATOM 1641 CE2 PHE A 107 3.967 -1.596 -5.656 1.00 0.00 C ATOM 1642 CZ PHE A 107 3.986 -2.926 -6.027 1.00 0.00 C ATOM 0 H PHE A 107 9.349 0.617 -4.979 1.00 0.00 H new ATOM 0 HA PHE A 107 8.528 -2.049 -4.960 1.00 0.00 H new ATOM 0 HB2 PHE A 107 7.419 0.335 -5.632 1.00 0.00 H new ATOM 0 HB3 PHE A 107 7.743 -0.278 -7.242 1.00 0.00 H new ATOM 0 HD1 PHE A 107 7.241 -3.202 -6.853 1.00 0.00 H new ATOM 0 HD2 PHE A 107 5.101 0.193 -5.422 1.00 0.00 H new ATOM 0 HE1 PHE A 107 5.183 -4.540 -6.752 1.00 0.00 H new ATOM 0 HE2 PHE A 107 3.046 -1.143 -5.320 1.00 0.00 H new ATOM 0 HZ PHE A 107 3.082 -3.515 -5.979 1.00 0.00 H new ATOM 1652 N THR A 108 10.271 -1.183 -7.643 1.00 0.00 N ATOM 1653 CA THR A 108 11.016 -1.713 -8.789 1.00 0.00 C ATOM 1654 C THR A 108 12.161 -2.616 -8.327 1.00 0.00 C ATOM 1655 O THR A 108 12.415 -3.660 -8.927 1.00 0.00 O ATOM 1656 CB THR A 108 11.560 -0.571 -9.667 1.00 0.00 C ATOM 1657 OG1 THR A 108 12.619 0.112 -9.019 1.00 0.00 O ATOM 1658 CG2 THR A 108 10.512 0.460 -10.041 1.00 0.00 C ATOM 0 H THR A 108 10.355 -0.174 -7.517 1.00 0.00 H new ATOM 0 HA THR A 108 10.326 -2.309 -9.386 1.00 0.00 H new ATOM 0 HB THR A 108 11.906 -1.061 -10.577 1.00 0.00 H new ATOM 0 HG1 THR A 108 12.359 0.320 -8.097 1.00 0.00 H new ATOM 0 HG21 THR A 108 10.967 1.234 -10.659 1.00 0.00 H new ATOM 0 HG22 THR A 108 9.709 -0.023 -10.597 1.00 0.00 H new ATOM 0 HG23 THR A 108 10.106 0.911 -9.136 1.00 0.00 H new ATOM 1666 N SER A 109 12.843 -2.215 -7.253 1.00 0.00 N ATOM 1667 CA SER A 109 13.951 -3.000 -6.715 1.00 0.00 C ATOM 1668 C SER A 109 13.465 -4.367 -6.233 1.00 0.00 C ATOM 1669 O SER A 109 14.133 -5.380 -6.448 1.00 0.00 O ATOM 1670 CB SER A 109 14.643 -2.254 -5.566 1.00 0.00 C ATOM 1671 OG SER A 109 14.645 -0.851 -5.784 1.00 0.00 O ATOM 0 H SER A 109 12.647 -1.354 -6.741 1.00 0.00 H new ATOM 0 HA SER A 109 14.673 -3.149 -7.518 1.00 0.00 H new ATOM 0 HB2 SER A 109 14.135 -2.477 -4.628 1.00 0.00 H new ATOM 0 HB3 SER A 109 15.669 -2.609 -5.465 1.00 0.00 H new ATOM 0 HG SER A 109 15.091 -0.404 -5.034 1.00 0.00 H new ATOM 1677 N VAL A 110 12.300 -4.387 -5.583 1.00 0.00 N ATOM 1678 CA VAL A 110 11.731 -5.634 -5.072 1.00 0.00 C ATOM 1679 C VAL A 110 11.276 -6.552 -6.206 1.00 0.00 C ATOM 1680 O VAL A 110 11.618 -7.733 -6.221 1.00 0.00 O ATOM 1681 CB VAL A 110 10.532 -5.388 -4.128 1.00 0.00 C ATOM 1682 CG1 VAL A 110 10.070 -6.700 -3.506 1.00 0.00 C ATOM 1683 CG2 VAL A 110 10.885 -4.375 -3.046 1.00 0.00 C ATOM 0 H VAL A 110 11.735 -3.558 -5.399 1.00 0.00 H new ATOM 0 HA VAL A 110 12.532 -6.115 -4.510 1.00 0.00 H new ATOM 0 HB VAL A 110 9.714 -4.975 -4.718 1.00 0.00 H new ATOM 0 HG11 VAL A 110 9.225 -6.511 -2.844 1.00 0.00 H new ATOM 0 HG12 VAL A 110 9.766 -7.389 -4.294 1.00 0.00 H new ATOM 0 HG13 VAL A 110 10.888 -7.140 -2.935 1.00 0.00 H new ATOM 0 HG21 VAL A 110 10.023 -4.221 -2.396 1.00 0.00 H new ATOM 0 HG22 VAL A 110 11.722 -4.749 -2.456 1.00 0.00 H new ATOM 0 HG23 VAL A 110 11.163 -3.429 -3.510 1.00 0.00 H new ATOM 1693 N ARG A 111 10.497 -6.011 -7.147 1.00 0.00 N ATOM 1694 CA ARG A 111 9.995 -6.804 -8.272 1.00 0.00 C ATOM 1695 C ARG A 111 11.133 -7.304 -9.167 1.00 0.00 C ATOM 1696 O ARG A 111 11.076 -8.423 -9.676 1.00 0.00 O ATOM 1697 CB ARG A 111 8.972 -6.011 -9.099 1.00 0.00 C ATOM 1698 CG ARG A 111 9.488 -4.683 -9.632 1.00 0.00 C ATOM 1699 CD ARG A 111 9.790 -4.757 -11.122 1.00 0.00 C ATOM 1700 NE ARG A 111 8.618 -5.157 -11.903 1.00 0.00 N ATOM 1701 CZ ARG A 111 8.678 -5.638 -13.148 1.00 0.00 C ATOM 1702 NH1 ARG A 111 9.849 -5.755 -13.770 1.00 0.00 N ATOM 1703 NH2 ARG A 111 7.563 -5.999 -13.777 1.00 0.00 N ATOM 0 H ARG A 111 10.202 -5.035 -7.153 1.00 0.00 H new ATOM 0 HA ARG A 111 9.495 -7.675 -7.849 1.00 0.00 H new ATOM 0 HB2 ARG A 111 8.649 -6.625 -9.940 1.00 0.00 H new ATOM 0 HB3 ARG A 111 8.092 -5.824 -8.483 1.00 0.00 H new ATOM 0 HG2 ARG A 111 8.748 -3.904 -9.448 1.00 0.00 H new ATOM 0 HG3 ARG A 111 10.391 -4.399 -9.091 1.00 0.00 H new ATOM 0 HD2 ARG A 111 10.142 -3.785 -11.469 1.00 0.00 H new ATOM 0 HD3 ARG A 111 10.598 -5.468 -11.293 1.00 0.00 H new ATOM 0 HE ARG A 111 7.699 -5.063 -11.470 1.00 0.00 H new ATOM 0 HH11 ARG A 111 10.708 -5.477 -13.296 1.00 0.00 H new ATOM 0 HH12 ARG A 111 9.887 -6.123 -14.721 1.00 0.00 H new ATOM 0 HH21 ARG A 111 6.661 -5.909 -13.309 1.00 0.00 H new ATOM 0 HH22 ARG A 111 7.610 -6.366 -14.728 1.00 0.00 H new ATOM 1717 N GLN A 112 12.163 -6.477 -9.356 1.00 0.00 N ATOM 1718 CA GLN A 112 13.305 -6.860 -10.189 1.00 0.00 C ATOM 1719 C GLN A 112 14.106 -7.992 -9.544 1.00 0.00 C ATOM 1720 O GLN A 112 14.418 -8.987 -10.198 1.00 0.00 O ATOM 1721 CB GLN A 112 14.215 -5.655 -10.448 1.00 0.00 C ATOM 1722 CG GLN A 112 13.880 -4.909 -11.732 1.00 0.00 C ATOM 1723 CD GLN A 112 13.705 -3.418 -11.516 1.00 0.00 C ATOM 1724 OE1 GLN A 112 12.631 -2.868 -11.762 1.00 0.00 O ATOM 1725 NE2 GLN A 112 14.759 -2.755 -11.053 1.00 0.00 N ATOM 0 H GLN A 112 12.230 -5.545 -8.947 1.00 0.00 H new ATOM 0 HA GLN A 112 12.913 -7.217 -11.141 1.00 0.00 H new ATOM 0 HB2 GLN A 112 14.141 -4.966 -9.607 1.00 0.00 H new ATOM 0 HB3 GLN A 112 15.250 -5.994 -10.493 1.00 0.00 H new ATOM 0 HG2 GLN A 112 14.673 -5.075 -12.461 1.00 0.00 H new ATOM 0 HG3 GLN A 112 12.964 -5.320 -12.157 1.00 0.00 H new ATOM 0 HE21 GLN A 112 15.630 -3.251 -10.863 1.00 0.00 H new ATOM 0 HE22 GLN A 112 14.697 -1.750 -10.888 1.00 0.00 H new ATOM 1734 N LYS A 113 14.439 -7.834 -8.262 1.00 0.00 N ATOM 1735 CA LYS A 113 15.209 -8.848 -7.539 1.00 0.00 C ATOM 1736 C LYS A 113 14.402 -10.134 -7.347 1.00 0.00 C ATOM 1737 O LYS A 113 14.898 -11.227 -7.623 1.00 0.00 O ATOM 1738 CB LYS A 113 15.671 -8.311 -6.180 1.00 0.00 C ATOM 1739 CG LYS A 113 17.165 -8.028 -6.116 1.00 0.00 C ATOM 1740 CD LYS A 113 17.458 -6.676 -5.483 1.00 0.00 C ATOM 1741 CE LYS A 113 17.810 -6.810 -4.007 1.00 0.00 C ATOM 1742 NZ LYS A 113 19.164 -7.402 -3.800 1.00 0.00 N ATOM 0 H LYS A 113 14.189 -7.017 -7.705 1.00 0.00 H new ATOM 0 HA LYS A 113 16.085 -9.084 -8.143 1.00 0.00 H new ATOM 0 HB2 LYS A 113 15.126 -7.394 -5.956 1.00 0.00 H new ATOM 0 HB3 LYS A 113 15.412 -9.033 -5.406 1.00 0.00 H new ATOM 0 HG2 LYS A 113 17.659 -8.812 -5.543 1.00 0.00 H new ATOM 0 HG3 LYS A 113 17.584 -8.057 -7.122 1.00 0.00 H new ATOM 0 HD2 LYS A 113 18.282 -6.197 -6.012 1.00 0.00 H new ATOM 0 HD3 LYS A 113 16.589 -6.027 -5.593 1.00 0.00 H new ATOM 0 HE2 LYS A 113 17.769 -5.828 -3.535 1.00 0.00 H new ATOM 0 HE3 LYS A 113 17.064 -7.433 -3.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 19.458 -7.258 -2.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 19.133 -8.421 -4.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 19.846 -6.940 -4.435 1.00 0.00 H new ATOM 1756 N ILE A 114 13.162 -9.996 -6.872 1.00 0.00 N ATOM 1757 CA ILE A 114 12.292 -11.151 -6.642 1.00 0.00 C ATOM 1758 C ILE A 114 12.056 -11.940 -7.935 1.00 0.00 C ATOM 1759 O ILE A 114 12.050 -13.172 -7.922 1.00 0.00 O ATOM 1760 CB ILE A 114 10.937 -10.728 -6.023 1.00 0.00 C ATOM 1761 CG1 ILE A 114 10.225 -11.940 -5.419 1.00 0.00 C ATOM 1762 CG2 ILE A 114 10.044 -10.043 -7.053 1.00 0.00 C ATOM 1763 CD1 ILE A 114 10.095 -11.876 -3.911 1.00 0.00 C ATOM 0 H ILE A 114 12.739 -9.098 -6.640 1.00 0.00 H new ATOM 0 HA ILE A 114 12.806 -11.798 -5.931 1.00 0.00 H new ATOM 0 HB ILE A 114 11.142 -10.009 -5.230 1.00 0.00 H new ATOM 0 HG12 ILE A 114 9.231 -12.023 -5.858 1.00 0.00 H new ATOM 0 HG13 ILE A 114 10.770 -12.844 -5.691 1.00 0.00 H new ATOM 0 HG21 ILE A 114 9.101 -9.759 -6.586 1.00 0.00 H new ATOM 0 HG22 ILE A 114 10.544 -9.152 -7.433 1.00 0.00 H new ATOM 0 HG23 ILE A 114 9.848 -10.728 -7.878 1.00 0.00 H new ATOM 0 HD11 ILE A 114 9.581 -12.767 -3.552 1.00 0.00 H new ATOM 0 HD12 ILE A 114 11.087 -11.824 -3.462 1.00 0.00 H new ATOM 0 HD13 ILE A 114 9.524 -10.990 -3.632 1.00 0.00 H new ATOM 1775 N GLU A 115 11.873 -11.225 -9.047 1.00 0.00 N ATOM 1776 CA GLU A 115 11.653 -11.861 -10.347 1.00 0.00 C ATOM 1777 C GLU A 115 12.926 -12.555 -10.836 1.00 0.00 C ATOM 1778 O GLU A 115 12.865 -13.613 -11.465 1.00 0.00 O ATOM 1779 CB GLU A 115 11.189 -10.824 -11.376 1.00 0.00 C ATOM 1780 CG GLU A 115 10.672 -11.432 -12.673 1.00 0.00 C ATOM 1781 CD GLU A 115 9.159 -11.529 -12.705 1.00 0.00 C ATOM 1782 OE1 GLU A 115 8.614 -12.496 -12.133 1.00 0.00 O ATOM 1783 OE2 GLU A 115 8.519 -10.635 -13.300 1.00 0.00 O ATOM 0 H GLU A 115 11.873 -10.205 -9.073 1.00 0.00 H new ATOM 0 HA GLU A 115 10.874 -12.614 -10.229 1.00 0.00 H new ATOM 0 HB2 GLU A 115 10.402 -10.214 -10.933 1.00 0.00 H new ATOM 0 HB3 GLU A 115 12.020 -10.156 -11.605 1.00 0.00 H new ATOM 0 HG2 GLU A 115 11.012 -10.829 -13.515 1.00 0.00 H new ATOM 0 HG3 GLU A 115 11.100 -12.427 -12.800 1.00 0.00 H new