USER MOD reduce.3.24.130724 H: found=0, std=0, add=999, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 1000 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 112 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 115 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ -168:sc=-0.00156 (180deg=-0.258) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -0.0988 K(o=-0.099,f=-0.93) USER MOD Single : A 26 LYS NZ :NH3+ 159:sc=-0.00847 (180deg=-0.504) USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 ASN : amide:sc= 0.398 X(o=0.4,f=0) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=-0.071) USER MOD Single : A 45 LYS NZ :NH3+ -178:sc= -0.916! (180deg=-0.935!) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 TYR OH : rot 150:sc= -0.457 USER MOD Single : A 56 SER OG : rot 71:sc= 0.163 USER MOD Single : A 59 ASN : amide:sc= -0.107! X(o=-0.11!,f=-0.17) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN :FLIP amide:sc= -0.419 F(o=-0.93,f=-0.42) USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 61:sc= 0.993 USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 69:sc= 0.701 USER MOD Single : A 85 MET CE :methyl -170:sc= -0.0477 (180deg=-0.156) USER MOD Single : A 87 THR OG1 : rot -109:sc= 0.352 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 ASN :FLIP amide:sc= -0.493 F(o=-6.9!,f=-0.49) USER MOD Single : A 100 GLN : amide:sc= -0.126 X(o=-0.13,f=-0.56) USER MOD Single : A 104 SER OG : rot 70:sc= -2.41! USER MOD Single : A 106 TYR OH : rot -130:sc= -2.98! USER MOD Single : A 109 LYS NZ :NH3+ -169:sc= 1.12 (180deg=0.742) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 ASN : amide:sc= -0.277 X(o=-0.28,f=-0.05) USER MOD Single : A 122 LYS NZ :NH3+ 164:sc= -0.587 (180deg=-1.24) USER MOD Single : A 126 LYS NZ :NH3+ 153:sc= -0.0584 (180deg=-0.971) USER MOD Single : A 129 MET CE :methyl 166:sc= -0.286 (180deg=-0.729) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -14.501 1.536 9.897 1.00 0.00 N ATOM 2 CA ALA A 2 -13.123 2.100 9.914 1.00 0.00 C ATOM 3 C ALA A 2 -13.097 3.413 9.131 1.00 0.00 C ATOM 4 O ALA A 2 -12.204 3.661 8.345 1.00 0.00 O ATOM 5 CB ALA A 2 -12.156 1.100 9.276 1.00 0.00 C ATOM 0 HA ALA A 2 -12.820 2.290 10.944 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -11.147 1.512 9.288 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -12.174 0.167 9.839 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -12.458 0.908 8.246 1.00 0.00 H new ATOM 11 N ASP A 3 -14.069 4.260 9.342 1.00 0.00 N ATOM 12 CA ASP A 3 -14.099 5.558 8.611 1.00 0.00 C ATOM 13 C ASP A 3 -14.215 5.292 7.111 1.00 0.00 C ATOM 14 O ASP A 3 -13.423 4.574 6.539 1.00 0.00 O ATOM 15 CB ASP A 3 -12.808 6.331 8.893 1.00 0.00 C ATOM 16 CG ASP A 3 -13.149 7.748 9.357 1.00 0.00 C ATOM 17 OD1 ASP A 3 -13.836 8.441 8.625 1.00 0.00 O ATOM 18 OD2 ASP A 3 -12.718 8.115 10.438 1.00 0.00 O ATOM 0 H ASP A 3 -14.843 4.108 9.989 1.00 0.00 H new ATOM 0 HA ASP A 3 -14.955 6.145 8.945 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -12.225 5.818 9.657 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -12.192 6.370 7.995 1.00 0.00 H new ATOM 23 N LYS A 4 -15.192 5.863 6.463 1.00 0.00 N ATOM 24 CA LYS A 4 -15.338 5.633 5.000 1.00 0.00 C ATOM 25 C LYS A 4 -14.549 6.694 4.241 1.00 0.00 C ATOM 26 O LYS A 4 -14.783 6.938 3.076 1.00 0.00 O ATOM 27 CB LYS A 4 -16.809 5.723 4.596 1.00 0.00 C ATOM 28 CG LYS A 4 -17.494 4.377 4.847 1.00 0.00 C ATOM 29 CD LYS A 4 -19.015 4.523 4.715 1.00 0.00 C ATOM 30 CE LYS A 4 -19.361 5.276 3.428 1.00 0.00 C ATOM 31 NZ LYS A 4 -20.797 5.060 3.094 1.00 0.00 N ATOM 0 H LYS A 4 -15.892 6.476 6.881 1.00 0.00 H new ATOM 0 HA LYS A 4 -14.959 4.640 4.759 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -17.306 6.507 5.167 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -16.892 5.994 3.543 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -17.129 3.637 4.135 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -17.242 4.012 5.843 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -19.483 3.539 4.707 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -19.413 5.058 5.577 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -19.162 6.340 3.553 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -18.730 4.928 2.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -21.031 5.572 2.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -20.973 4.044 2.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -21.391 5.413 3.871 1.00 0.00 H new ATOM 45 N GLU A 5 -13.621 7.329 4.900 1.00 0.00 N ATOM 46 CA GLU A 5 -12.810 8.381 4.229 1.00 0.00 C ATOM 47 C GLU A 5 -11.347 8.219 4.638 1.00 0.00 C ATOM 48 O GLU A 5 -10.657 9.186 4.894 1.00 0.00 O ATOM 49 CB GLU A 5 -13.307 9.764 4.662 1.00 0.00 C ATOM 50 CG GLU A 5 -14.585 10.118 3.898 1.00 0.00 C ATOM 51 CD GLU A 5 -14.243 11.049 2.733 1.00 0.00 C ATOM 52 OE1 GLU A 5 -13.260 10.785 2.061 1.00 0.00 O ATOM 53 OE2 GLU A 5 -14.969 12.008 2.533 1.00 0.00 O ATOM 0 H GLU A 5 -13.389 7.163 5.879 1.00 0.00 H new ATOM 0 HA GLU A 5 -12.905 8.284 3.148 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -13.500 9.772 5.735 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -12.539 10.513 4.471 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -15.061 9.211 3.525 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -15.298 10.601 4.566 1.00 0.00 H new ATOM 60 N LEU A 6 -10.858 7.008 4.706 1.00 0.00 N ATOM 61 CA LEU A 6 -9.444 6.824 5.098 1.00 0.00 C ATOM 62 C LEU A 6 -8.573 7.219 3.904 1.00 0.00 C ATOM 63 O LEU A 6 -8.800 6.785 2.797 1.00 0.00 O ATOM 64 CB LEU A 6 -9.228 5.356 5.511 1.00 0.00 C ATOM 65 CG LEU A 6 -7.839 5.122 6.138 1.00 0.00 C ATOM 66 CD1 LEU A 6 -7.547 6.135 7.246 1.00 0.00 C ATOM 67 CD2 LEU A 6 -7.808 3.730 6.756 1.00 0.00 C ATOM 0 H LEU A 6 -11.376 6.152 4.508 1.00 0.00 H new ATOM 0 HA LEU A 6 -9.174 7.449 5.949 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -9.999 5.064 6.224 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -9.342 4.715 4.637 1.00 0.00 H new ATOM 0 HG LEU A 6 -7.091 5.230 5.353 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -6.560 5.941 7.666 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -7.574 7.143 6.833 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -8.299 6.044 8.030 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -6.830 3.552 7.203 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -8.577 3.656 7.525 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -7.994 2.984 5.983 1.00 0.00 H new ATOM 79 N LYS A 7 -7.620 8.085 4.109 1.00 0.00 N ATOM 80 CA LYS A 7 -6.777 8.559 2.975 1.00 0.00 C ATOM 81 C LYS A 7 -5.738 7.508 2.562 1.00 0.00 C ATOM 82 O LYS A 7 -4.911 7.082 3.353 1.00 0.00 O ATOM 83 CB LYS A 7 -6.062 9.840 3.405 1.00 0.00 C ATOM 84 CG LYS A 7 -7.081 10.965 3.637 1.00 0.00 C ATOM 85 CD LYS A 7 -7.288 11.160 5.141 1.00 0.00 C ATOM 86 CE LYS A 7 -8.524 12.031 5.377 1.00 0.00 C ATOM 87 NZ LYS A 7 -8.312 13.371 4.759 1.00 0.00 N ATOM 0 H LYS A 7 -7.387 8.487 5.017 1.00 0.00 H new ATOM 0 HA LYS A 7 -7.421 8.743 2.115 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -5.495 9.659 4.318 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -5.346 10.140 2.639 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -6.727 11.891 3.184 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -8.028 10.718 3.157 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -7.412 10.194 5.630 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -6.409 11.630 5.582 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -9.405 11.555 4.946 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -8.709 12.137 6.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -9.051 14.025 5.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -7.378 13.737 5.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -8.358 13.287 3.723 1.00 0.00 H new ATOM 101 N PHE A 8 -5.769 7.109 1.309 1.00 0.00 N ATOM 102 CA PHE A 8 -4.791 6.115 0.799 1.00 0.00 C ATOM 103 C PHE A 8 -3.826 6.802 -0.158 1.00 0.00 C ATOM 104 O PHE A 8 -4.170 7.766 -0.808 1.00 0.00 O ATOM 105 CB PHE A 8 -5.516 5.022 0.000 1.00 0.00 C ATOM 106 CG PHE A 8 -6.488 4.265 0.872 1.00 0.00 C ATOM 107 CD1 PHE A 8 -7.698 4.854 1.235 1.00 0.00 C ATOM 108 CD2 PHE A 8 -6.178 2.973 1.310 1.00 0.00 C ATOM 109 CE1 PHE A 8 -8.603 4.154 2.044 1.00 0.00 C ATOM 110 CE2 PHE A 8 -7.078 2.270 2.119 1.00 0.00 C ATOM 111 CZ PHE A 8 -8.292 2.863 2.488 1.00 0.00 C ATOM 0 H PHE A 8 -6.442 7.439 0.617 1.00 0.00 H new ATOM 0 HA PHE A 8 -4.265 5.683 1.650 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -6.049 5.472 -0.837 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -4.786 4.331 -0.421 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -7.938 5.850 0.893 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -5.242 2.517 1.023 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -9.541 4.610 2.325 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -6.837 1.273 2.458 1.00 0.00 H new ATOM 0 HZ PHE A 8 -8.988 2.325 3.115 1.00 0.00 H new ATOM 121 N LEU A 9 -2.635 6.285 -0.276 1.00 0.00 N ATOM 122 CA LEU A 9 -1.655 6.872 -1.235 1.00 0.00 C ATOM 123 C LEU A 9 -1.331 5.806 -2.283 1.00 0.00 C ATOM 124 O LEU A 9 -0.686 4.818 -1.994 1.00 0.00 O ATOM 125 CB LEU A 9 -0.381 7.295 -0.499 1.00 0.00 C ATOM 126 CG LEU A 9 0.705 7.678 -1.516 1.00 0.00 C ATOM 127 CD1 LEU A 9 0.168 8.745 -2.465 1.00 0.00 C ATOM 128 CD2 LEU A 9 1.923 8.230 -0.782 1.00 0.00 C ATOM 0 H LEU A 9 -2.296 5.480 0.251 1.00 0.00 H new ATOM 0 HA LEU A 9 -2.076 7.757 -1.712 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -0.592 8.140 0.157 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -0.028 6.481 0.134 1.00 0.00 H new ATOM 0 HG LEU A 9 0.989 6.792 -2.084 1.00 0.00 H new ATOM 0 HD11 LEU A 9 0.941 9.014 -3.185 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -0.702 8.356 -2.995 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -0.120 9.628 -1.894 1.00 0.00 H new ATOM 0 HD21 LEU A 9 2.692 8.501 -1.506 1.00 0.00 H new ATOM 0 HD22 LEU A 9 1.635 9.113 -0.211 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.314 7.471 -0.104 1.00 0.00 H new ATOM 140 N VAL A 10 -1.785 5.988 -3.494 1.00 0.00 N ATOM 141 CA VAL A 10 -1.513 4.969 -4.549 1.00 0.00 C ATOM 142 C VAL A 10 -0.253 5.351 -5.328 1.00 0.00 C ATOM 143 O VAL A 10 -0.181 6.408 -5.921 1.00 0.00 O ATOM 144 CB VAL A 10 -2.710 4.904 -5.500 1.00 0.00 C ATOM 145 CG1 VAL A 10 -2.901 3.469 -5.992 1.00 0.00 C ATOM 146 CG2 VAL A 10 -3.971 5.355 -4.759 1.00 0.00 C ATOM 0 H VAL A 10 -2.330 6.795 -3.798 1.00 0.00 H new ATOM 0 HA VAL A 10 -1.359 3.995 -4.086 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.529 5.558 -6.353 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -3.754 3.427 -6.669 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -2.004 3.142 -6.518 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -3.081 2.813 -5.140 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -4.826 5.310 -5.434 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -4.147 4.698 -3.907 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -3.840 6.378 -4.408 1.00 0.00 H new ATOM 156 N VAL A 11 0.737 4.490 -5.330 1.00 0.00 N ATOM 157 CA VAL A 11 1.996 4.780 -6.066 1.00 0.00 C ATOM 158 C VAL A 11 2.267 3.657 -7.069 1.00 0.00 C ATOM 159 O VAL A 11 3.398 3.387 -7.424 1.00 0.00 O ATOM 160 CB VAL A 11 3.159 4.872 -5.073 1.00 0.00 C ATOM 161 CG1 VAL A 11 4.447 5.257 -5.813 1.00 0.00 C ATOM 162 CG2 VAL A 11 2.845 5.933 -4.017 1.00 0.00 C ATOM 0 H VAL A 11 0.721 3.592 -4.847 1.00 0.00 H new ATOM 0 HA VAL A 11 1.898 5.727 -6.597 1.00 0.00 H new ATOM 0 HB VAL A 11 3.296 3.904 -4.591 1.00 0.00 H new ATOM 0 HG11 VAL A 11 5.270 5.321 -5.101 1.00 0.00 H new ATOM 0 HG12 VAL A 11 4.675 4.501 -6.565 1.00 0.00 H new ATOM 0 HG13 VAL A 11 4.312 6.223 -6.299 1.00 0.00 H new ATOM 0 HG21 VAL A 11 3.672 5.999 -3.310 1.00 0.00 H new ATOM 0 HG22 VAL A 11 2.705 6.899 -4.502 1.00 0.00 H new ATOM 0 HG23 VAL A 11 1.934 5.658 -3.485 1.00 0.00 H new ATOM 172 N ASP A 12 1.238 2.997 -7.527 1.00 0.00 N ATOM 173 CA ASP A 12 1.436 1.891 -8.506 1.00 0.00 C ATOM 174 C ASP A 12 2.292 2.387 -9.673 1.00 0.00 C ATOM 175 O ASP A 12 2.605 3.556 -9.773 1.00 0.00 O ATOM 176 CB ASP A 12 0.076 1.425 -9.030 1.00 0.00 C ATOM 177 CG ASP A 12 -0.811 1.013 -7.854 1.00 0.00 C ATOM 178 OD1 ASP A 12 -0.291 0.417 -6.926 1.00 0.00 O ATOM 179 OD2 ASP A 12 -1.996 1.301 -7.902 1.00 0.00 O ATOM 0 H ASP A 12 0.269 3.176 -7.265 1.00 0.00 H new ATOM 0 HA ASP A 12 1.941 1.059 -8.016 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -0.401 2.225 -9.596 1.00 0.00 H new ATOM 0 HB3 ASP A 12 0.206 0.585 -9.713 1.00 0.00 H new ATOM 184 N ASP A 13 2.672 1.504 -10.558 1.00 0.00 N ATOM 185 CA ASP A 13 3.509 1.919 -11.720 1.00 0.00 C ATOM 186 C ASP A 13 2.612 2.188 -12.929 1.00 0.00 C ATOM 187 O ASP A 13 2.669 3.240 -13.533 1.00 0.00 O ATOM 188 CB ASP A 13 4.498 0.801 -12.058 1.00 0.00 C ATOM 189 CG ASP A 13 4.645 -0.132 -10.855 1.00 0.00 C ATOM 190 OD1 ASP A 13 4.988 0.357 -9.790 1.00 0.00 O ATOM 191 OD2 ASP A 13 4.412 -1.318 -11.018 1.00 0.00 O ATOM 0 H ASP A 13 2.438 0.512 -10.526 1.00 0.00 H new ATOM 0 HA ASP A 13 4.056 2.827 -11.467 1.00 0.00 H new ATOM 0 HB2 ASP A 13 4.148 0.241 -12.925 1.00 0.00 H new ATOM 0 HB3 ASP A 13 5.466 1.226 -12.323 1.00 0.00 H new ATOM 196 N PHE A 14 1.784 1.244 -13.288 1.00 0.00 N ATOM 197 CA PHE A 14 0.886 1.445 -14.459 1.00 0.00 C ATOM 198 C PHE A 14 0.217 2.818 -14.364 1.00 0.00 C ATOM 199 O PHE A 14 -0.174 3.256 -13.301 1.00 0.00 O ATOM 200 CB PHE A 14 -0.188 0.355 -14.471 1.00 0.00 C ATOM 201 CG PHE A 14 0.104 -0.629 -15.580 1.00 0.00 C ATOM 202 CD1 PHE A 14 0.051 -0.210 -16.915 1.00 0.00 C ATOM 203 CD2 PHE A 14 0.427 -1.957 -15.275 1.00 0.00 C ATOM 204 CE1 PHE A 14 0.321 -1.119 -17.945 1.00 0.00 C ATOM 205 CE2 PHE A 14 0.698 -2.866 -16.306 1.00 0.00 C ATOM 206 CZ PHE A 14 0.645 -2.447 -17.640 1.00 0.00 C ATOM 0 H PHE A 14 1.691 0.342 -12.820 1.00 0.00 H new ATOM 0 HA PHE A 14 1.471 1.390 -15.377 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -0.210 -0.160 -13.510 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -1.172 0.801 -14.616 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -0.198 0.814 -17.150 1.00 0.00 H new ATOM 0 HD2 PHE A 14 0.467 -2.280 -14.245 1.00 0.00 H new ATOM 0 HE1 PHE A 14 0.279 -0.796 -18.975 1.00 0.00 H new ATOM 0 HE2 PHE A 14 0.948 -3.890 -16.071 1.00 0.00 H new ATOM 0 HZ PHE A 14 0.854 -3.148 -18.435 1.00 0.00 H new ATOM 216 N SER A 15 0.081 3.499 -15.469 1.00 0.00 N ATOM 217 CA SER A 15 -0.564 4.843 -15.443 1.00 0.00 C ATOM 218 C SER A 15 -2.076 4.683 -15.610 1.00 0.00 C ATOM 219 O SER A 15 -2.784 5.637 -15.867 1.00 0.00 O ATOM 220 CB SER A 15 -0.012 5.697 -16.585 1.00 0.00 C ATOM 221 OG SER A 15 1.359 5.383 -16.787 1.00 0.00 O ATOM 0 H SER A 15 0.389 3.183 -16.389 1.00 0.00 H new ATOM 0 HA SER A 15 -0.352 5.331 -14.492 1.00 0.00 H new ATOM 0 HB2 SER A 15 -0.577 5.512 -17.498 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.124 6.755 -16.349 1.00 0.00 H new ATOM 0 HG SER A 15 1.715 5.928 -17.520 1.00 0.00 H new ATOM 227 N THR A 16 -2.572 3.482 -15.465 1.00 0.00 N ATOM 228 CA THR A 16 -4.038 3.245 -15.610 1.00 0.00 C ATOM 229 C THR A 16 -4.514 2.323 -14.488 1.00 0.00 C ATOM 230 O THR A 16 -5.688 2.249 -14.187 1.00 0.00 O ATOM 231 CB THR A 16 -4.318 2.587 -16.964 1.00 0.00 C ATOM 232 OG1 THR A 16 -5.718 2.406 -17.120 1.00 0.00 O ATOM 233 CG2 THR A 16 -3.616 1.230 -17.030 1.00 0.00 C ATOM 0 H THR A 16 -2.021 2.651 -15.251 1.00 0.00 H new ATOM 0 HA THR A 16 -4.569 4.195 -15.552 1.00 0.00 H new ATOM 0 HB THR A 16 -3.942 3.226 -17.763 1.00 0.00 H new ATOM 0 HG1 THR A 16 -5.899 1.986 -17.987 1.00 0.00 H new ATOM 0 HG21 THR A 16 -3.816 0.763 -17.994 1.00 0.00 H new ATOM 0 HG22 THR A 16 -2.542 1.370 -16.911 1.00 0.00 H new ATOM 0 HG23 THR A 16 -3.989 0.588 -16.232 1.00 0.00 H new ATOM 241 N MET A 17 -3.609 1.620 -13.864 1.00 0.00 N ATOM 242 CA MET A 17 -4.009 0.706 -12.757 1.00 0.00 C ATOM 243 C MET A 17 -4.473 1.537 -11.560 1.00 0.00 C ATOM 244 O MET A 17 -5.137 1.045 -10.670 1.00 0.00 O ATOM 245 CB MET A 17 -2.812 -0.155 -12.346 1.00 0.00 C ATOM 246 CG MET A 17 -3.208 -1.049 -11.169 1.00 0.00 C ATOM 247 SD MET A 17 -2.472 -2.689 -11.382 1.00 0.00 S ATOM 248 CE MET A 17 -3.751 -3.626 -10.510 1.00 0.00 C ATOM 0 H MET A 17 -2.611 1.639 -14.073 1.00 0.00 H new ATOM 0 HA MET A 17 -4.821 0.060 -13.092 1.00 0.00 H new ATOM 0 HB2 MET A 17 -2.484 -0.766 -13.187 1.00 0.00 H new ATOM 0 HB3 MET A 17 -1.972 0.481 -12.067 1.00 0.00 H new ATOM 0 HG2 MET A 17 -2.870 -0.606 -10.232 1.00 0.00 H new ATOM 0 HG3 MET A 17 -4.293 -1.131 -11.110 1.00 0.00 H new ATOM 0 HE1 MET A 17 -3.496 -4.686 -10.519 1.00 0.00 H new ATOM 0 HE2 MET A 17 -3.818 -3.278 -9.479 1.00 0.00 H new ATOM 0 HE3 MET A 17 -4.711 -3.480 -11.006 1.00 0.00 H new ATOM 258 N ARG A 18 -4.129 2.796 -11.533 1.00 0.00 N ATOM 259 CA ARG A 18 -4.555 3.658 -10.396 1.00 0.00 C ATOM 260 C ARG A 18 -6.070 3.833 -10.434 1.00 0.00 C ATOM 261 O ARG A 18 -6.724 3.915 -9.413 1.00 0.00 O ATOM 262 CB ARG A 18 -3.896 5.033 -10.511 1.00 0.00 C ATOM 263 CG ARG A 18 -2.692 4.952 -11.451 1.00 0.00 C ATOM 264 CD ARG A 18 -1.855 6.227 -11.329 1.00 0.00 C ATOM 265 NE ARG A 18 -0.578 5.918 -10.626 1.00 0.00 N ATOM 266 CZ ARG A 18 0.562 6.106 -11.233 1.00 0.00 C ATOM 267 NH1 ARG A 18 0.978 7.318 -11.481 1.00 0.00 N ATOM 268 NH2 ARG A 18 1.286 5.081 -11.593 1.00 0.00 N ATOM 0 H ARG A 18 -3.572 3.264 -12.248 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.256 3.186 -9.460 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -4.615 5.761 -10.887 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -3.579 5.378 -9.527 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -2.084 4.082 -11.204 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -3.030 4.824 -12.480 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -1.648 6.635 -12.318 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -2.410 6.988 -10.780 1.00 0.00 H new ATOM 0 HE ARG A 18 -0.595 5.560 -9.671 1.00 0.00 H new ATOM 0 HH11 ARG A 18 0.412 8.119 -11.200 1.00 0.00 H new ATOM 0 HH12 ARG A 18 1.869 7.464 -11.955 1.00 0.00 H new ATOM 0 HH21 ARG A 18 0.961 4.134 -11.400 1.00 0.00 H new ATOM 0 HH22 ARG A 18 2.177 5.227 -12.067 1.00 0.00 H new ATOM 282 N ARG A 19 -6.636 3.895 -11.606 1.00 0.00 N ATOM 283 CA ARG A 19 -8.106 4.069 -11.705 1.00 0.00 C ATOM 284 C ARG A 19 -8.790 2.774 -11.260 1.00 0.00 C ATOM 285 O ARG A 19 -9.928 2.775 -10.833 1.00 0.00 O ATOM 286 CB ARG A 19 -8.480 4.424 -13.157 1.00 0.00 C ATOM 287 CG ARG A 19 -9.206 3.257 -13.851 1.00 0.00 C ATOM 288 CD ARG A 19 -9.448 3.598 -15.327 1.00 0.00 C ATOM 289 NE ARG A 19 -10.859 4.043 -15.509 1.00 0.00 N ATOM 290 CZ ARG A 19 -11.113 5.202 -16.052 1.00 0.00 C ATOM 291 NH1 ARG A 19 -10.422 6.252 -15.702 1.00 0.00 N ATOM 292 NH2 ARG A 19 -12.057 5.312 -16.946 1.00 0.00 N ATOM 0 H ARG A 19 -6.143 3.833 -12.497 1.00 0.00 H new ATOM 0 HA ARG A 19 -8.439 4.880 -11.058 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -9.118 5.308 -13.164 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -7.579 4.677 -13.715 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -8.610 2.348 -13.772 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -10.156 3.060 -13.353 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -8.763 4.384 -15.647 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -9.247 2.727 -15.950 1.00 0.00 H new ATOM 0 HE ARG A 19 -11.626 3.441 -15.209 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -9.683 6.167 -15.004 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -10.621 7.158 -16.127 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -12.597 4.492 -17.221 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -12.255 6.218 -17.370 1.00 0.00 H new ATOM 306 N ILE A 20 -8.102 1.669 -11.357 1.00 0.00 N ATOM 307 CA ILE A 20 -8.709 0.375 -10.941 1.00 0.00 C ATOM 308 C ILE A 20 -8.863 0.353 -9.419 1.00 0.00 C ATOM 309 O ILE A 20 -9.928 0.085 -8.898 1.00 0.00 O ATOM 310 CB ILE A 20 -7.803 -0.780 -11.397 1.00 0.00 C ATOM 311 CG1 ILE A 20 -8.292 -1.294 -12.754 1.00 0.00 C ATOM 312 CG2 ILE A 20 -7.839 -1.929 -10.379 1.00 0.00 C ATOM 313 CD1 ILE A 20 -7.242 -2.229 -13.358 1.00 0.00 C ATOM 0 H ILE A 20 -7.146 1.608 -11.707 1.00 0.00 H new ATOM 0 HA ILE A 20 -9.691 0.262 -11.400 1.00 0.00 H new ATOM 0 HB ILE A 20 -6.779 -0.415 -11.478 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -9.238 -1.822 -12.635 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -8.477 -0.456 -13.426 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -7.192 -2.737 -10.719 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -7.491 -1.568 -9.411 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -8.860 -2.298 -10.283 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -7.592 -2.594 -14.324 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -6.306 -1.687 -13.492 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -7.079 -3.074 -12.689 1.00 0.00 H new ATOM 325 N VAL A 21 -7.809 0.625 -8.700 1.00 0.00 N ATOM 326 CA VAL A 21 -7.905 0.606 -7.214 1.00 0.00 C ATOM 327 C VAL A 21 -8.882 1.687 -6.745 1.00 0.00 C ATOM 328 O VAL A 21 -9.545 1.544 -5.737 1.00 0.00 O ATOM 329 CB VAL A 21 -6.527 0.854 -6.598 1.00 0.00 C ATOM 330 CG1 VAL A 21 -6.060 -0.414 -5.881 1.00 0.00 C ATOM 331 CG2 VAL A 21 -5.528 1.206 -7.699 1.00 0.00 C ATOM 0 H VAL A 21 -6.890 0.858 -9.075 1.00 0.00 H new ATOM 0 HA VAL A 21 -8.268 -0.371 -6.894 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.590 1.679 -5.888 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.078 -0.242 -5.440 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.771 -0.670 -5.095 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -5.998 -1.234 -6.596 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.547 1.382 -7.258 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.464 0.381 -8.409 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.860 2.106 -8.217 1.00 0.00 H new ATOM 341 N ARG A 22 -8.982 2.766 -7.472 1.00 0.00 N ATOM 342 CA ARG A 22 -9.921 3.855 -7.073 1.00 0.00 C ATOM 343 C ARG A 22 -11.294 3.256 -6.770 1.00 0.00 C ATOM 344 O ARG A 22 -11.856 3.455 -5.711 1.00 0.00 O ATOM 345 CB ARG A 22 -10.056 4.849 -8.226 1.00 0.00 C ATOM 346 CG ARG A 22 -9.289 6.133 -7.901 1.00 0.00 C ATOM 347 CD ARG A 22 -10.083 6.961 -6.890 1.00 0.00 C ATOM 348 NE ARG A 22 -10.794 8.061 -7.598 1.00 0.00 N ATOM 349 CZ ARG A 22 -11.520 8.911 -6.924 1.00 0.00 C ATOM 350 NH1 ARG A 22 -11.378 9.007 -5.630 1.00 0.00 N ATOM 351 NH2 ARG A 22 -12.389 9.663 -7.542 1.00 0.00 N ATOM 0 H ARG A 22 -8.454 2.942 -8.327 1.00 0.00 H new ATOM 0 HA ARG A 22 -9.537 4.362 -6.188 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -9.670 4.408 -9.145 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -11.108 5.077 -8.399 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -8.307 5.890 -7.496 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -9.124 6.711 -8.811 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -10.800 6.327 -6.368 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -9.413 7.373 -6.135 1.00 0.00 H new ATOM 0 HE ARG A 22 -10.714 8.150 -8.611 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -10.700 8.418 -5.146 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -11.945 9.671 -5.103 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -12.502 9.587 -8.553 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -12.956 10.327 -7.014 1.00 0.00 H new ATOM 365 N ASN A 23 -11.836 2.522 -7.700 1.00 0.00 N ATOM 366 CA ASN A 23 -13.161 1.898 -7.502 1.00 0.00 C ATOM 367 C ASN A 23 -13.058 0.834 -6.423 1.00 0.00 C ATOM 368 O ASN A 23 -13.755 0.861 -5.429 1.00 0.00 O ATOM 369 CB ASN A 23 -13.538 1.223 -8.805 1.00 0.00 C ATOM 370 CG ASN A 23 -15.000 1.518 -9.145 1.00 0.00 C ATOM 371 OD1 ASN A 23 -15.813 1.716 -8.264 1.00 0.00 O ATOM 372 ND2 ASN A 23 -15.374 1.553 -10.395 1.00 0.00 N ATOM 0 H ASN A 23 -11.404 2.328 -8.603 1.00 0.00 H new ATOM 0 HA ASN A 23 -13.899 2.645 -7.209 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -12.891 1.577 -9.608 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -13.385 0.147 -8.724 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -16.347 1.746 -10.631 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -14.693 1.387 -11.136 1.00 0.00 H new ATOM 379 N LEU A 24 -12.187 -0.108 -6.642 1.00 0.00 N ATOM 380 CA LEU A 24 -11.987 -1.219 -5.671 1.00 0.00 C ATOM 381 C LEU A 24 -12.064 -0.675 -4.241 1.00 0.00 C ATOM 382 O LEU A 24 -12.690 -1.257 -3.378 1.00 0.00 O ATOM 383 CB LEU A 24 -10.602 -1.819 -5.923 1.00 0.00 C ATOM 384 CG LEU A 24 -10.479 -3.235 -5.318 1.00 0.00 C ATOM 385 CD1 LEU A 24 -10.056 -4.217 -6.413 1.00 0.00 C ATOM 386 CD2 LEU A 24 -9.425 -3.278 -4.197 1.00 0.00 C ATOM 0 H LEU A 24 -11.593 -0.156 -7.470 1.00 0.00 H new ATOM 0 HA LEU A 24 -12.759 -1.979 -5.796 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -10.413 -1.863 -6.996 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -9.840 -1.170 -5.492 1.00 0.00 H new ATOM 0 HG LEU A 24 -11.449 -3.507 -4.901 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -9.968 -5.218 -5.990 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -10.804 -4.223 -7.206 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -9.094 -3.911 -6.824 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -9.364 -4.289 -3.793 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -8.454 -2.989 -4.599 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -9.709 -2.587 -3.403 1.00 0.00 H new ATOM 398 N LEU A 25 -11.443 0.445 -3.990 1.00 0.00 N ATOM 399 CA LEU A 25 -11.492 1.038 -2.622 1.00 0.00 C ATOM 400 C LEU A 25 -12.906 1.554 -2.360 1.00 0.00 C ATOM 401 O LEU A 25 -13.433 1.424 -1.274 1.00 0.00 O ATOM 402 CB LEU A 25 -10.491 2.195 -2.536 1.00 0.00 C ATOM 403 CG LEU A 25 -9.126 1.673 -2.073 1.00 0.00 C ATOM 404 CD1 LEU A 25 -8.087 2.786 -2.216 1.00 0.00 C ATOM 405 CD2 LEU A 25 -9.196 1.235 -0.605 1.00 0.00 C ATOM 0 H LEU A 25 -10.903 0.976 -4.673 1.00 0.00 H new ATOM 0 HA LEU A 25 -11.233 0.286 -1.876 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -10.395 2.677 -3.509 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -10.855 2.951 -1.841 1.00 0.00 H new ATOM 0 HG LEU A 25 -8.845 0.817 -2.687 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -7.114 2.420 -1.888 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -8.026 3.094 -3.260 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -8.380 3.638 -1.602 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -8.220 0.866 -0.288 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -9.481 2.085 0.015 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -9.936 0.442 -0.497 1.00 0.00 H new ATOM 417 N LYS A 26 -13.529 2.131 -3.351 1.00 0.00 N ATOM 418 CA LYS A 26 -14.907 2.642 -3.159 1.00 0.00 C ATOM 419 C LYS A 26 -15.839 1.470 -2.861 1.00 0.00 C ATOM 420 O LYS A 26 -16.738 1.568 -2.050 1.00 0.00 O ATOM 421 CB LYS A 26 -15.372 3.363 -4.429 1.00 0.00 C ATOM 422 CG LYS A 26 -16.766 3.964 -4.203 1.00 0.00 C ATOM 423 CD LYS A 26 -17.824 3.086 -4.876 1.00 0.00 C ATOM 424 CE LYS A 26 -19.200 3.411 -4.291 1.00 0.00 C ATOM 425 NZ LYS A 26 -19.412 4.886 -4.302 1.00 0.00 N ATOM 0 H LYS A 26 -13.140 2.269 -4.284 1.00 0.00 H new ATOM 0 HA LYS A 26 -14.924 3.344 -2.325 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -14.665 4.150 -4.692 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -15.398 2.665 -5.266 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -16.970 4.041 -3.135 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -16.807 4.975 -4.609 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -17.824 3.258 -5.952 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -17.590 2.033 -4.722 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -19.979 2.917 -4.872 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -19.272 3.031 -3.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -20.430 5.091 -4.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -18.932 5.312 -3.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -19.022 5.286 -5.179 1.00 0.00 H new ATOM 439 N GLU A 27 -15.628 0.357 -3.510 1.00 0.00 N ATOM 440 CA GLU A 27 -16.490 -0.820 -3.265 1.00 0.00 C ATOM 441 C GLU A 27 -16.561 -1.081 -1.763 1.00 0.00 C ATOM 442 O GLU A 27 -17.577 -1.493 -1.238 1.00 0.00 O ATOM 443 CB GLU A 27 -15.895 -2.036 -3.973 1.00 0.00 C ATOM 444 CG GLU A 27 -16.028 -1.863 -5.488 1.00 0.00 C ATOM 445 CD GLU A 27 -17.495 -2.013 -5.894 1.00 0.00 C ATOM 446 OE1 GLU A 27 -18.231 -2.651 -5.158 1.00 0.00 O ATOM 447 OE2 GLU A 27 -17.858 -1.488 -6.934 1.00 0.00 O ATOM 0 H GLU A 27 -14.891 0.218 -4.201 1.00 0.00 H new ATOM 0 HA GLU A 27 -17.493 -0.634 -3.650 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -14.846 -2.151 -3.701 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -16.409 -2.943 -3.654 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -15.656 -0.883 -5.786 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -15.419 -2.606 -6.004 1.00 0.00 H new ATOM 454 N LEU A 28 -15.486 -0.839 -1.064 1.00 0.00 N ATOM 455 CA LEU A 28 -15.489 -1.064 0.406 1.00 0.00 C ATOM 456 C LEU A 28 -16.216 0.093 1.088 1.00 0.00 C ATOM 457 O LEU A 28 -17.104 -0.106 1.893 1.00 0.00 O ATOM 458 CB LEU A 28 -14.048 -1.139 0.917 1.00 0.00 C ATOM 459 CG LEU A 28 -13.532 -2.574 0.785 1.00 0.00 C ATOM 460 CD1 LEU A 28 -13.575 -3.000 -0.684 1.00 0.00 C ATOM 461 CD2 LEU A 28 -12.091 -2.650 1.295 1.00 0.00 C ATOM 0 H LEU A 28 -14.606 -0.495 -1.449 1.00 0.00 H new ATOM 0 HA LEU A 28 -15.998 -2.001 0.633 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -13.414 -0.460 0.348 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -14.003 -0.820 1.958 1.00 0.00 H new ATOM 0 HG LEU A 28 -14.162 -3.240 1.375 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -13.207 -4.022 -0.777 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -14.601 -2.949 -1.048 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -12.947 -2.333 -1.275 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -11.725 -3.672 1.200 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -11.461 -1.983 0.706 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -12.059 -2.349 2.342 1.00 0.00 H new ATOM 473 N GLY A 29 -15.842 1.302 0.773 1.00 0.00 N ATOM 474 CA GLY A 29 -16.502 2.473 1.397 1.00 0.00 C ATOM 475 C GLY A 29 -15.492 3.611 1.567 1.00 0.00 C ATOM 476 O GLY A 29 -15.539 4.340 2.533 1.00 0.00 O ATOM 0 H GLY A 29 -15.103 1.526 0.106 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -17.336 2.804 0.778 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -16.916 2.195 2.366 1.00 0.00 H new ATOM 480 N PHE A 30 -14.580 3.765 0.640 1.00 0.00 N ATOM 481 CA PHE A 30 -13.559 4.855 0.752 1.00 0.00 C ATOM 482 C PHE A 30 -13.632 5.763 -0.482 1.00 0.00 C ATOM 483 O PHE A 30 -13.930 5.318 -1.572 1.00 0.00 O ATOM 484 CB PHE A 30 -12.166 4.231 0.816 1.00 0.00 C ATOM 485 CG PHE A 30 -12.033 3.376 2.050 1.00 0.00 C ATOM 486 CD1 PHE A 30 -11.868 3.974 3.301 1.00 0.00 C ATOM 487 CD2 PHE A 30 -12.068 1.983 1.939 1.00 0.00 C ATOM 488 CE1 PHE A 30 -11.740 3.176 4.446 1.00 0.00 C ATOM 489 CE2 PHE A 30 -11.942 1.184 3.082 1.00 0.00 C ATOM 490 CZ PHE A 30 -11.779 1.781 4.336 1.00 0.00 C ATOM 0 H PHE A 30 -14.497 3.182 -0.193 1.00 0.00 H new ATOM 0 HA PHE A 30 -13.755 5.439 1.651 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -11.989 3.627 -0.074 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -11.409 5.015 0.825 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -11.839 5.050 3.386 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -12.192 1.522 0.970 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -11.611 3.638 5.414 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -11.971 0.108 2.995 1.00 0.00 H new ATOM 0 HZ PHE A 30 -11.683 1.166 5.219 1.00 0.00 H new ATOM 500 N ASN A 31 -13.356 7.030 -0.324 1.00 0.00 N ATOM 501 CA ASN A 31 -13.408 7.949 -1.499 1.00 0.00 C ATOM 502 C ASN A 31 -12.406 9.101 -1.319 1.00 0.00 C ATOM 503 O ASN A 31 -12.772 10.260 -1.344 1.00 0.00 O ATOM 504 CB ASN A 31 -14.824 8.511 -1.639 1.00 0.00 C ATOM 505 CG ASN A 31 -15.096 8.844 -3.106 1.00 0.00 C ATOM 506 OD1 ASN A 31 -15.384 7.967 -3.897 1.00 0.00 O ATOM 507 ND2 ASN A 31 -15.017 10.083 -3.507 1.00 0.00 N ATOM 0 H ASN A 31 -13.098 7.467 0.561 1.00 0.00 H new ATOM 0 HA ASN A 31 -13.143 7.394 -2.399 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -15.553 7.785 -1.278 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -14.935 9.405 -1.025 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -15.197 10.315 -4.484 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -14.775 10.819 -2.844 1.00 0.00 H new ATOM 514 N ASN A 32 -11.144 8.801 -1.144 1.00 0.00 N ATOM 515 CA ASN A 32 -10.142 9.894 -0.969 1.00 0.00 C ATOM 516 C ASN A 32 -8.723 9.314 -0.959 1.00 0.00 C ATOM 517 O ASN A 32 -8.325 8.644 -0.026 1.00 0.00 O ATOM 518 CB ASN A 32 -10.401 10.614 0.355 1.00 0.00 C ATOM 519 CG ASN A 32 -10.359 12.127 0.134 1.00 0.00 C ATOM 520 OD1 ASN A 32 -9.501 12.806 0.663 1.00 0.00 O ATOM 521 ND2 ASN A 32 -11.254 12.688 -0.632 1.00 0.00 N ATOM 0 H ASN A 32 -10.767 7.854 -1.115 1.00 0.00 H new ATOM 0 HA ASN A 32 -10.235 10.596 -1.798 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -11.372 10.322 0.755 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -9.652 10.323 1.091 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -11.233 13.696 -0.787 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -11.974 12.119 -1.076 1.00 0.00 H new ATOM 528 N VAL A 33 -7.953 9.572 -1.985 1.00 0.00 N ATOM 529 CA VAL A 33 -6.557 9.037 -2.029 1.00 0.00 C ATOM 530 C VAL A 33 -5.656 10.012 -2.786 1.00 0.00 C ATOM 531 O VAL A 33 -6.095 11.056 -3.229 1.00 0.00 O ATOM 532 CB VAL A 33 -6.543 7.687 -2.758 1.00 0.00 C ATOM 533 CG1 VAL A 33 -7.811 6.900 -2.427 1.00 0.00 C ATOM 534 CG2 VAL A 33 -6.476 7.924 -4.271 1.00 0.00 C ATOM 0 H VAL A 33 -8.229 10.129 -2.794 1.00 0.00 H new ATOM 0 HA VAL A 33 -6.194 8.911 -1.009 1.00 0.00 H new ATOM 0 HB VAL A 33 -5.672 7.117 -2.434 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -7.792 5.943 -2.949 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -7.861 6.726 -1.352 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -8.685 7.469 -2.744 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -6.466 6.965 -4.789 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -7.346 8.499 -4.588 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.568 8.477 -4.513 1.00 0.00 H new ATOM 544 N GLU A 34 -4.401 9.662 -2.956 1.00 0.00 N ATOM 545 CA GLU A 34 -3.468 10.546 -3.705 1.00 0.00 C ATOM 546 C GLU A 34 -2.783 9.716 -4.789 1.00 0.00 C ATOM 547 O GLU A 34 -3.157 8.585 -5.031 1.00 0.00 O ATOM 548 CB GLU A 34 -2.438 11.137 -2.749 1.00 0.00 C ATOM 549 CG GLU A 34 -2.813 12.588 -2.450 1.00 0.00 C ATOM 550 CD GLU A 34 -2.557 13.449 -3.689 1.00 0.00 C ATOM 551 OE1 GLU A 34 -1.442 13.920 -3.840 1.00 0.00 O ATOM 552 OE2 GLU A 34 -3.482 13.624 -4.467 1.00 0.00 O ATOM 0 H GLU A 34 -3.988 8.798 -2.605 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.013 11.369 -4.167 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -2.405 10.558 -1.826 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -1.443 11.089 -3.191 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -3.862 12.651 -2.161 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -2.228 12.960 -1.609 1.00 0.00 H new ATOM 559 N GLU A 35 -1.805 10.264 -5.457 1.00 0.00 N ATOM 560 CA GLU A 35 -1.138 9.491 -6.546 1.00 0.00 C ATOM 561 C GLU A 35 0.351 9.825 -6.626 1.00 0.00 C ATOM 562 O GLU A 35 0.769 10.944 -6.407 1.00 0.00 O ATOM 563 CB GLU A 35 -1.799 9.845 -7.880 1.00 0.00 C ATOM 564 CG GLU A 35 -2.842 8.785 -8.239 1.00 0.00 C ATOM 565 CD GLU A 35 -3.795 9.344 -9.296 1.00 0.00 C ATOM 566 OE1 GLU A 35 -4.534 10.259 -8.974 1.00 0.00 O ATOM 567 OE2 GLU A 35 -3.769 8.849 -10.411 1.00 0.00 O ATOM 0 H GLU A 35 -1.441 11.204 -5.299 1.00 0.00 H new ATOM 0 HA GLU A 35 -1.243 8.427 -6.332 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -2.271 10.825 -7.814 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -1.045 9.907 -8.665 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -2.350 7.888 -8.616 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.400 8.493 -7.349 1.00 0.00 H new ATOM 574 N ALA A 36 1.146 8.849 -6.968 1.00 0.00 N ATOM 575 CA ALA A 36 2.611 9.066 -7.102 1.00 0.00 C ATOM 576 C ALA A 36 3.138 8.096 -8.161 1.00 0.00 C ATOM 577 O ALA A 36 2.377 7.402 -8.804 1.00 0.00 O ATOM 578 CB ALA A 36 3.300 8.801 -5.763 1.00 0.00 C ATOM 0 H ALA A 36 0.836 7.897 -7.163 1.00 0.00 H new ATOM 0 HA ALA A 36 2.816 10.095 -7.397 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.373 8.962 -5.868 1.00 0.00 H new ATOM 0 HB2 ALA A 36 2.903 9.481 -5.009 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.116 7.771 -5.456 1.00 0.00 H new ATOM 584 N GLU A 37 4.425 8.034 -8.359 1.00 0.00 N ATOM 585 CA GLU A 37 4.958 7.099 -9.388 1.00 0.00 C ATOM 586 C GLU A 37 6.411 6.739 -9.078 1.00 0.00 C ATOM 587 O GLU A 37 7.163 6.358 -9.954 1.00 0.00 O ATOM 588 CB GLU A 37 4.880 7.764 -10.761 1.00 0.00 C ATOM 589 CG GLU A 37 6.023 8.771 -10.911 1.00 0.00 C ATOM 590 CD GLU A 37 5.603 9.879 -11.878 1.00 0.00 C ATOM 591 OE1 GLU A 37 4.627 10.554 -11.589 1.00 0.00 O ATOM 592 OE2 GLU A 37 6.262 10.035 -12.893 1.00 0.00 O ATOM 0 H GLU A 37 5.124 8.584 -7.859 1.00 0.00 H new ATOM 0 HA GLU A 37 4.361 6.187 -9.383 1.00 0.00 H new ATOM 0 HB2 GLU A 37 4.942 7.010 -11.545 1.00 0.00 H new ATOM 0 HB3 GLU A 37 3.921 8.268 -10.878 1.00 0.00 H new ATOM 0 HG2 GLU A 37 6.276 9.197 -9.940 1.00 0.00 H new ATOM 0 HG3 GLU A 37 6.917 8.270 -11.282 1.00 0.00 H new ATOM 599 N ASP A 38 6.822 6.849 -7.843 1.00 0.00 N ATOM 600 CA ASP A 38 8.232 6.503 -7.502 1.00 0.00 C ATOM 601 C ASP A 38 8.460 6.726 -6.012 1.00 0.00 C ATOM 602 O ASP A 38 7.882 7.610 -5.417 1.00 0.00 O ATOM 603 CB ASP A 38 9.195 7.395 -8.294 1.00 0.00 C ATOM 604 CG ASP A 38 10.131 6.520 -9.129 1.00 0.00 C ATOM 605 OD1 ASP A 38 9.641 5.606 -9.771 1.00 0.00 O ATOM 606 OD2 ASP A 38 11.324 6.778 -9.113 1.00 0.00 O ATOM 0 H ASP A 38 6.247 7.161 -7.061 1.00 0.00 H new ATOM 0 HA ASP A 38 8.414 5.459 -7.755 1.00 0.00 H new ATOM 0 HB2 ASP A 38 8.634 8.068 -8.943 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.774 8.018 -7.612 1.00 0.00 H new ATOM 611 N GLY A 39 9.299 5.937 -5.402 1.00 0.00 N ATOM 612 CA GLY A 39 9.556 6.122 -3.949 1.00 0.00 C ATOM 613 C GLY A 39 9.837 7.599 -3.682 1.00 0.00 C ATOM 614 O GLY A 39 9.387 8.158 -2.703 1.00 0.00 O ATOM 0 H GLY A 39 9.815 5.176 -5.844 1.00 0.00 H new ATOM 0 HA2 GLY A 39 8.695 5.791 -3.368 1.00 0.00 H new ATOM 0 HA3 GLY A 39 10.405 5.514 -3.636 1.00 0.00 H new ATOM 618 N VAL A 40 10.566 8.239 -4.555 1.00 0.00 N ATOM 619 CA VAL A 40 10.861 9.683 -4.358 1.00 0.00 C ATOM 620 C VAL A 40 9.548 10.465 -4.406 1.00 0.00 C ATOM 621 O VAL A 40 9.384 11.468 -3.740 1.00 0.00 O ATOM 622 CB VAL A 40 11.791 10.172 -5.470 1.00 0.00 C ATOM 623 CG1 VAL A 40 12.084 11.661 -5.273 1.00 0.00 C ATOM 624 CG2 VAL A 40 13.101 9.385 -5.419 1.00 0.00 C ATOM 0 H VAL A 40 10.969 7.823 -5.395 1.00 0.00 H new ATOM 0 HA VAL A 40 11.347 9.835 -3.394 1.00 0.00 H new ATOM 0 HB VAL A 40 11.312 10.021 -6.437 1.00 0.00 H new ATOM 0 HG11 VAL A 40 12.747 12.009 -6.065 1.00 0.00 H new ATOM 0 HG12 VAL A 40 11.151 12.223 -5.307 1.00 0.00 H new ATOM 0 HG13 VAL A 40 12.564 11.813 -4.306 1.00 0.00 H new ATOM 0 HG21 VAL A 40 13.765 9.732 -6.211 1.00 0.00 H new ATOM 0 HG22 VAL A 40 13.579 9.537 -4.451 1.00 0.00 H new ATOM 0 HG23 VAL A 40 12.894 8.324 -5.558 1.00 0.00 H new ATOM 634 N ASP A 41 8.605 10.002 -5.182 1.00 0.00 N ATOM 635 CA ASP A 41 7.298 10.702 -5.267 1.00 0.00 C ATOM 636 C ASP A 41 6.483 10.372 -4.021 1.00 0.00 C ATOM 637 O ASP A 41 5.898 11.233 -3.396 1.00 0.00 O ATOM 638 CB ASP A 41 6.549 10.215 -6.506 1.00 0.00 C ATOM 639 CG ASP A 41 5.490 11.244 -6.905 1.00 0.00 C ATOM 640 OD1 ASP A 41 5.199 12.110 -6.096 1.00 0.00 O ATOM 641 OD2 ASP A 41 4.988 11.148 -8.012 1.00 0.00 O ATOM 0 H ASP A 41 8.687 9.166 -5.761 1.00 0.00 H new ATOM 0 HA ASP A 41 7.453 11.779 -5.335 1.00 0.00 H new ATOM 0 HB2 ASP A 41 7.248 10.060 -7.328 1.00 0.00 H new ATOM 0 HB3 ASP A 41 6.078 9.253 -6.303 1.00 0.00 H new ATOM 646 N ALA A 42 6.449 9.121 -3.655 1.00 0.00 N ATOM 647 CA ALA A 42 5.681 8.715 -2.448 1.00 0.00 C ATOM 648 C ALA A 42 6.306 9.354 -1.211 1.00 0.00 C ATOM 649 O ALA A 42 5.626 9.670 -0.263 1.00 0.00 O ATOM 650 CB ALA A 42 5.726 7.193 -2.304 1.00 0.00 C ATOM 0 H ALA A 42 6.922 8.360 -4.143 1.00 0.00 H new ATOM 0 HA ALA A 42 4.647 9.044 -2.549 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.163 6.894 -1.419 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.286 6.731 -3.187 1.00 0.00 H new ATOM 0 HB3 ALA A 42 6.761 6.868 -2.202 1.00 0.00 H new ATOM 656 N LEU A 43 7.599 9.539 -1.210 1.00 0.00 N ATOM 657 CA LEU A 43 8.267 10.154 -0.025 1.00 0.00 C ATOM 658 C LEU A 43 7.852 11.621 0.098 1.00 0.00 C ATOM 659 O LEU A 43 7.201 12.015 1.045 1.00 0.00 O ATOM 660 CB LEU A 43 9.787 10.065 -0.194 1.00 0.00 C ATOM 661 CG LEU A 43 10.470 10.142 1.177 1.00 0.00 C ATOM 662 CD1 LEU A 43 11.981 9.975 1.000 1.00 0.00 C ATOM 663 CD2 LEU A 43 10.184 11.500 1.824 1.00 0.00 C ATOM 0 H LEU A 43 8.222 9.291 -1.978 1.00 0.00 H new ATOM 0 HA LEU A 43 7.968 9.619 0.876 1.00 0.00 H new ATOM 0 HB2 LEU A 43 10.052 9.132 -0.690 1.00 0.00 H new ATOM 0 HB3 LEU A 43 10.139 10.876 -0.831 1.00 0.00 H new ATOM 0 HG LEU A 43 10.083 9.349 1.817 1.00 0.00 H new ATOM 0 HD11 LEU A 43 12.469 10.029 1.973 1.00 0.00 H new ATOM 0 HD12 LEU A 43 12.189 9.008 0.543 1.00 0.00 H new ATOM 0 HD13 LEU A 43 12.362 10.769 0.358 1.00 0.00 H new ATOM 0 HD21 LEU A 43 10.672 11.549 2.798 1.00 0.00 H new ATOM 0 HD22 LEU A 43 10.568 12.295 1.185 1.00 0.00 H new ATOM 0 HD23 LEU A 43 9.108 11.624 1.950 1.00 0.00 H new ATOM 675 N ASN A 44 8.232 12.435 -0.847 1.00 0.00 N ATOM 676 CA ASN A 44 7.869 13.880 -0.780 1.00 0.00 C ATOM 677 C ASN A 44 6.387 14.028 -0.425 1.00 0.00 C ATOM 678 O ASN A 44 5.975 15.019 0.146 1.00 0.00 O ATOM 679 CB ASN A 44 8.134 14.532 -2.139 1.00 0.00 C ATOM 680 CG ASN A 44 9.493 15.233 -2.113 1.00 0.00 C ATOM 681 OD1 ASN A 44 9.699 16.157 -1.350 1.00 0.00 O ATOM 682 ND2 ASN A 44 10.437 14.830 -2.920 1.00 0.00 N ATOM 0 H ASN A 44 8.779 12.163 -1.664 1.00 0.00 H new ATOM 0 HA ASN A 44 8.472 14.368 -0.014 1.00 0.00 H new ATOM 0 HB2 ASN A 44 8.117 13.778 -2.926 1.00 0.00 H new ATOM 0 HB3 ASN A 44 7.347 15.250 -2.369 1.00 0.00 H new ATOM 0 HD21 ASN A 44 11.347 15.290 -2.910 1.00 0.00 H new ATOM 0 HD22 ASN A 44 10.264 14.055 -3.560 1.00 0.00 H new ATOM 689 N LYS A 45 5.582 13.059 -0.763 1.00 0.00 N ATOM 690 CA LYS A 45 4.128 13.159 -0.446 1.00 0.00 C ATOM 691 C LYS A 45 3.845 12.559 0.934 1.00 0.00 C ATOM 692 O LYS A 45 3.041 13.071 1.685 1.00 0.00 O ATOM 693 CB LYS A 45 3.322 12.405 -1.507 1.00 0.00 C ATOM 694 CG LYS A 45 2.498 13.401 -2.324 1.00 0.00 C ATOM 695 CD LYS A 45 1.760 12.663 -3.441 1.00 0.00 C ATOM 696 CE LYS A 45 1.267 13.672 -4.480 1.00 0.00 C ATOM 697 NZ LYS A 45 0.777 14.898 -3.788 1.00 0.00 N ATOM 0 H LYS A 45 5.866 12.205 -1.243 1.00 0.00 H new ATOM 0 HA LYS A 45 3.837 14.209 -0.441 1.00 0.00 H new ATOM 0 HB2 LYS A 45 3.993 11.849 -2.161 1.00 0.00 H new ATOM 0 HB3 LYS A 45 2.665 11.677 -1.031 1.00 0.00 H new ATOM 0 HG2 LYS A 45 1.784 13.913 -1.679 1.00 0.00 H new ATOM 0 HG3 LYS A 45 3.149 14.165 -2.748 1.00 0.00 H new ATOM 0 HD2 LYS A 45 2.422 11.936 -3.910 1.00 0.00 H new ATOM 0 HD3 LYS A 45 0.917 12.107 -3.029 1.00 0.00 H new ATOM 0 HE2 LYS A 45 2.074 13.927 -5.167 1.00 0.00 H new ATOM 0 HE3 LYS A 45 0.467 13.234 -5.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 0.410 15.571 -4.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 0.018 14.642 -3.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 1.561 15.338 -3.264 1.00 0.00 H new ATOM 711 N LEU A 46 4.490 11.475 1.275 1.00 0.00 N ATOM 712 CA LEU A 46 4.239 10.852 2.607 1.00 0.00 C ATOM 713 C LEU A 46 4.423 11.915 3.694 1.00 0.00 C ATOM 714 O LEU A 46 3.711 11.946 4.678 1.00 0.00 O ATOM 715 CB LEU A 46 5.241 9.713 2.852 1.00 0.00 C ATOM 716 CG LEU A 46 4.521 8.359 2.975 1.00 0.00 C ATOM 717 CD1 LEU A 46 3.553 8.376 4.161 1.00 0.00 C ATOM 718 CD2 LEU A 46 3.739 8.053 1.695 1.00 0.00 C ATOM 0 H LEU A 46 5.176 10.996 0.692 1.00 0.00 H new ATOM 0 HA LEU A 46 3.225 10.453 2.633 1.00 0.00 H new ATOM 0 HB2 LEU A 46 5.959 9.674 2.033 1.00 0.00 H new ATOM 0 HB3 LEU A 46 5.807 9.912 3.762 1.00 0.00 H new ATOM 0 HG LEU A 46 5.275 7.587 3.133 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.051 7.411 4.235 1.00 0.00 H new ATOM 0 HD12 LEU A 46 4.107 8.568 5.080 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.811 9.161 4.014 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.235 7.092 1.797 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.999 8.835 1.525 1.00 0.00 H new ATOM 0 HD23 LEU A 46 4.426 8.014 0.850 1.00 0.00 H new ATOM 730 N GLN A 47 5.385 12.785 3.520 1.00 0.00 N ATOM 731 CA GLN A 47 5.632 13.847 4.534 1.00 0.00 C ATOM 732 C GLN A 47 4.344 14.633 4.773 1.00 0.00 C ATOM 733 O GLN A 47 4.157 15.230 5.815 1.00 0.00 O ATOM 734 CB GLN A 47 6.721 14.795 4.026 1.00 0.00 C ATOM 735 CG GLN A 47 8.012 14.011 3.788 1.00 0.00 C ATOM 736 CD GLN A 47 9.195 14.782 4.379 1.00 0.00 C ATOM 737 OE1 GLN A 47 9.340 14.862 5.583 1.00 0.00 O ATOM 738 NE2 GLN A 47 10.051 15.355 3.579 1.00 0.00 N ATOM 0 H GLN A 47 6.011 12.803 2.715 1.00 0.00 H new ATOM 0 HA GLN A 47 5.956 13.388 5.468 1.00 0.00 H new ATOM 0 HB2 GLN A 47 6.398 15.274 3.101 1.00 0.00 H new ATOM 0 HB3 GLN A 47 6.894 15.589 4.752 1.00 0.00 H new ATOM 0 HG2 GLN A 47 7.941 13.025 4.247 1.00 0.00 H new ATOM 0 HG3 GLN A 47 8.163 13.855 2.720 1.00 0.00 H new ATOM 0 HE21 GLN A 47 9.929 15.288 2.569 1.00 0.00 H new ATOM 0 HE22 GLN A 47 10.843 15.871 3.964 1.00 0.00 H new ATOM 747 N ALA A 48 3.458 14.639 3.813 1.00 0.00 N ATOM 748 CA ALA A 48 2.179 15.384 3.976 1.00 0.00 C ATOM 749 C ALA A 48 1.612 15.109 5.369 1.00 0.00 C ATOM 750 O ALA A 48 1.455 16.007 6.172 1.00 0.00 O ATOM 751 CB ALA A 48 1.178 14.920 2.916 1.00 0.00 C ATOM 0 H ALA A 48 3.567 14.158 2.920 1.00 0.00 H new ATOM 0 HA ALA A 48 2.360 16.452 3.858 1.00 0.00 H new ATOM 0 HB1 ALA A 48 0.242 15.466 3.036 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.585 15.111 1.923 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.993 13.852 3.033 1.00 0.00 H new ATOM 757 N GLY A 49 1.312 13.872 5.661 1.00 0.00 N ATOM 758 CA GLY A 49 0.764 13.535 7.007 1.00 0.00 C ATOM 759 C GLY A 49 -0.756 13.433 6.927 1.00 0.00 C ATOM 760 O GLY A 49 -1.473 14.313 7.361 1.00 0.00 O ATOM 0 H GLY A 49 1.422 13.081 5.027 1.00 0.00 H new ATOM 0 HA2 GLY A 49 1.184 12.592 7.357 1.00 0.00 H new ATOM 0 HA3 GLY A 49 1.050 14.299 7.730 1.00 0.00 H new ATOM 764 N GLY A 50 -1.255 12.366 6.373 1.00 0.00 N ATOM 765 CA GLY A 50 -2.729 12.205 6.264 1.00 0.00 C ATOM 766 C GLY A 50 -3.045 10.808 5.737 1.00 0.00 C ATOM 767 O GLY A 50 -4.059 10.225 6.068 1.00 0.00 O ATOM 0 H GLY A 50 -0.705 11.597 5.990 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -3.196 12.353 7.238 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -3.141 12.961 5.595 1.00 0.00 H new ATOM 771 N TYR A 51 -2.188 10.264 4.918 1.00 0.00 N ATOM 772 CA TYR A 51 -2.445 8.908 4.373 1.00 0.00 C ATOM 773 C TYR A 51 -2.514 7.898 5.504 1.00 0.00 C ATOM 774 O TYR A 51 -1.544 7.240 5.821 1.00 0.00 O ATOM 775 CB TYR A 51 -1.321 8.500 3.422 1.00 0.00 C ATOM 776 CG TYR A 51 -1.057 9.593 2.415 1.00 0.00 C ATOM 777 CD1 TYR A 51 -2.111 10.173 1.694 1.00 0.00 C ATOM 778 CD2 TYR A 51 0.253 10.032 2.205 1.00 0.00 C ATOM 779 CE1 TYR A 51 -1.849 11.186 0.771 1.00 0.00 C ATOM 780 CE2 TYR A 51 0.515 11.044 1.279 1.00 0.00 C ATOM 781 CZ TYR A 51 -0.536 11.624 0.562 1.00 0.00 C ATOM 782 OH TYR A 51 -0.277 12.627 -0.349 1.00 0.00 O ATOM 0 H TYR A 51 -1.322 10.702 4.604 1.00 0.00 H new ATOM 0 HA TYR A 51 -3.393 8.928 3.835 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -0.414 8.294 3.990 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -1.590 7.579 2.905 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -3.125 9.836 1.853 1.00 0.00 H new ATOM 0 HD2 TYR A 51 1.065 9.587 2.761 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -2.661 11.633 0.217 1.00 0.00 H new ATOM 0 HE2 TYR A 51 1.529 11.379 1.117 1.00 0.00 H new ATOM 0 HH TYR A 51 0.512 13.133 -0.063 1.00 0.00 H new ATOM 792 N GLY A 52 -3.662 7.732 6.091 1.00 0.00 N ATOM 793 CA GLY A 52 -3.784 6.720 7.165 1.00 0.00 C ATOM 794 C GLY A 52 -3.602 5.351 6.521 1.00 0.00 C ATOM 795 O GLY A 52 -3.786 4.327 7.140 1.00 0.00 O ATOM 0 H GLY A 52 -4.514 8.250 5.875 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -3.031 6.885 7.936 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -4.758 6.790 7.650 1.00 0.00 H new ATOM 799 N PHE A 53 -3.266 5.336 5.256 1.00 0.00 N ATOM 800 CA PHE A 53 -3.092 4.050 4.538 1.00 0.00 C ATOM 801 C PHE A 53 -2.201 4.278 3.307 1.00 0.00 C ATOM 802 O PHE A 53 -2.243 5.326 2.690 1.00 0.00 O ATOM 803 CB PHE A 53 -4.470 3.600 4.091 1.00 0.00 C ATOM 804 CG PHE A 53 -4.601 2.107 4.164 1.00 0.00 C ATOM 805 CD1 PHE A 53 -4.054 1.312 3.163 1.00 0.00 C ATOM 806 CD2 PHE A 53 -5.301 1.521 5.218 1.00 0.00 C ATOM 807 CE1 PHE A 53 -4.200 -0.072 3.214 1.00 0.00 C ATOM 808 CE2 PHE A 53 -5.453 0.138 5.271 1.00 0.00 C ATOM 809 CZ PHE A 53 -4.901 -0.665 4.268 1.00 0.00 C ATOM 0 H PHE A 53 -3.105 6.170 4.691 1.00 0.00 H new ATOM 0 HA PHE A 53 -2.626 3.299 5.177 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -5.229 4.066 4.719 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -4.652 3.935 3.070 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -3.516 1.768 2.345 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -5.726 2.141 5.994 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -3.771 -0.688 2.438 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -5.997 -0.315 6.087 1.00 0.00 H new ATOM 0 HZ PHE A 53 -5.016 -1.738 4.308 1.00 0.00 H new ATOM 819 N VAL A 54 -1.393 3.317 2.935 1.00 0.00 N ATOM 820 CA VAL A 54 -0.520 3.523 1.735 1.00 0.00 C ATOM 821 C VAL A 54 -0.366 2.219 0.948 1.00 0.00 C ATOM 822 O VAL A 54 -0.002 1.192 1.488 1.00 0.00 O ATOM 823 CB VAL A 54 0.860 4.018 2.174 1.00 0.00 C ATOM 824 CG1 VAL A 54 1.753 4.208 0.943 1.00 0.00 C ATOM 825 CG2 VAL A 54 0.720 5.358 2.900 1.00 0.00 C ATOM 0 H VAL A 54 -1.299 2.414 3.399 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.990 4.268 1.093 1.00 0.00 H new ATOM 0 HB VAL A 54 1.306 3.283 2.844 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.735 4.561 1.257 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.859 3.258 0.420 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.301 4.941 0.275 1.00 0.00 H new ATOM 0 HG21 VAL A 54 1.704 5.708 3.211 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.270 6.090 2.229 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.086 5.232 3.777 1.00 0.00 H new ATOM 835 N ILE A 55 -0.632 2.271 -0.334 1.00 0.00 N ATOM 836 CA ILE A 55 -0.498 1.062 -1.200 1.00 0.00 C ATOM 837 C ILE A 55 0.627 1.311 -2.215 1.00 0.00 C ATOM 838 O ILE A 55 0.445 2.033 -3.178 1.00 0.00 O ATOM 839 CB ILE A 55 -1.810 0.831 -1.957 1.00 0.00 C ATOM 840 CG1 ILE A 55 -2.978 0.800 -0.968 1.00 0.00 C ATOM 841 CG2 ILE A 55 -1.742 -0.501 -2.704 1.00 0.00 C ATOM 842 CD1 ILE A 55 -4.294 0.686 -1.741 1.00 0.00 C ATOM 0 H ILE A 55 -0.940 3.112 -0.822 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.271 0.189 -0.588 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.961 1.642 -2.670 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -2.870 -0.043 -0.286 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.978 1.704 -0.359 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -2.676 -0.664 -3.242 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -0.914 -0.479 -3.412 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.588 -1.311 -1.991 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -5.128 0.664 -1.039 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -4.402 1.544 -2.405 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.291 -0.231 -2.330 1.00 0.00 H new ATOM 854 N SER A 56 1.786 0.736 -2.002 1.00 0.00 N ATOM 855 CA SER A 56 2.926 0.959 -2.949 1.00 0.00 C ATOM 856 C SER A 56 3.212 -0.315 -3.753 1.00 0.00 C ATOM 857 O SER A 56 2.540 -1.319 -3.610 1.00 0.00 O ATOM 858 CB SER A 56 4.168 1.355 -2.152 1.00 0.00 C ATOM 859 OG SER A 56 4.374 0.418 -1.106 1.00 0.00 O ATOM 0 H SER A 56 1.993 0.122 -1.214 1.00 0.00 H new ATOM 0 HA SER A 56 2.662 1.756 -3.645 1.00 0.00 H new ATOM 0 HB2 SER A 56 5.039 1.384 -2.806 1.00 0.00 H new ATOM 0 HB3 SER A 56 4.045 2.356 -1.739 1.00 0.00 H new ATOM 0 HG SER A 56 4.673 -0.435 -1.485 1.00 0.00 H new ATOM 865 N ASP A 57 4.202 -0.274 -4.609 1.00 0.00 N ATOM 866 CA ASP A 57 4.535 -1.469 -5.442 1.00 0.00 C ATOM 867 C ASP A 57 5.544 -2.361 -4.712 1.00 0.00 C ATOM 868 O ASP A 57 5.369 -2.694 -3.558 1.00 0.00 O ATOM 869 CB ASP A 57 5.136 -1.008 -6.771 1.00 0.00 C ATOM 870 CG ASP A 57 5.214 -2.194 -7.734 1.00 0.00 C ATOM 871 OD1 ASP A 57 4.172 -2.737 -8.061 1.00 0.00 O ATOM 872 OD2 ASP A 57 6.316 -2.540 -8.127 1.00 0.00 O ATOM 0 H ASP A 57 4.796 0.540 -4.767 1.00 0.00 H new ATOM 0 HA ASP A 57 3.624 -2.039 -5.624 1.00 0.00 H new ATOM 0 HB2 ASP A 57 4.526 -0.215 -7.203 1.00 0.00 H new ATOM 0 HB3 ASP A 57 6.130 -0.592 -6.608 1.00 0.00 H new ATOM 877 N TRP A 58 6.596 -2.762 -5.381 1.00 0.00 N ATOM 878 CA TRP A 58 7.603 -3.643 -4.720 1.00 0.00 C ATOM 879 C TRP A 58 8.914 -3.629 -5.511 1.00 0.00 C ATOM 880 O TRP A 58 9.967 -3.345 -4.972 1.00 0.00 O ATOM 881 CB TRP A 58 7.052 -5.071 -4.656 1.00 0.00 C ATOM 882 CG TRP A 58 8.130 -6.021 -4.236 1.00 0.00 C ATOM 883 CD1 TRP A 58 8.882 -6.765 -5.078 1.00 0.00 C ATOM 884 CD2 TRP A 58 8.579 -6.348 -2.890 1.00 0.00 C ATOM 885 NE1 TRP A 58 9.767 -7.526 -4.335 1.00 0.00 N ATOM 886 CE2 TRP A 58 9.619 -7.304 -2.980 1.00 0.00 C ATOM 887 CE3 TRP A 58 8.190 -5.910 -1.613 1.00 0.00 C ATOM 888 CZ2 TRP A 58 10.249 -7.809 -1.842 1.00 0.00 C ATOM 889 CZ3 TRP A 58 8.822 -6.415 -0.466 1.00 0.00 C ATOM 890 CH2 TRP A 58 9.849 -7.363 -0.579 1.00 0.00 C ATOM 0 H TRP A 58 6.799 -2.518 -6.350 1.00 0.00 H new ATOM 0 HA TRP A 58 7.799 -3.278 -3.712 1.00 0.00 H new ATOM 0 HB2 TRP A 58 6.221 -5.117 -3.952 1.00 0.00 H new ATOM 0 HB3 TRP A 58 6.660 -5.362 -5.631 1.00 0.00 H new ATOM 0 HD1 TRP A 58 8.805 -6.765 -6.155 1.00 0.00 H new ATOM 0 HE1 TRP A 58 10.446 -8.172 -4.739 1.00 0.00 H new ATOM 0 HE3 TRP A 58 7.400 -5.180 -1.513 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 11.040 -8.539 -1.936 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 8.515 -6.071 0.511 1.00 0.00 H new ATOM 0 HH2 TRP A 58 10.330 -7.748 0.308 1.00 0.00 H new ATOM 901 N ASN A 59 8.864 -3.938 -6.779 1.00 0.00 N ATOM 902 CA ASN A 59 10.111 -3.945 -7.598 1.00 0.00 C ATOM 903 C ASN A 59 9.811 -3.414 -9.001 1.00 0.00 C ATOM 904 O ASN A 59 9.264 -4.109 -9.829 1.00 0.00 O ATOM 905 CB ASN A 59 10.643 -5.376 -7.706 1.00 0.00 C ATOM 906 CG ASN A 59 11.844 -5.404 -8.652 1.00 0.00 C ATOM 907 OD1 ASN A 59 11.746 -5.887 -9.762 1.00 0.00 O ATOM 908 ND2 ASN A 59 12.982 -4.903 -8.257 1.00 0.00 N ATOM 0 H ASN A 59 8.013 -4.186 -7.284 1.00 0.00 H new ATOM 0 HA ASN A 59 10.857 -3.310 -7.120 1.00 0.00 H new ATOM 0 HB2 ASN A 59 10.934 -5.742 -6.721 1.00 0.00 H new ATOM 0 HB3 ASN A 59 9.861 -6.039 -8.075 1.00 0.00 H new ATOM 0 HD21 ASN A 59 13.789 -4.917 -8.880 1.00 0.00 H new ATOM 0 HD22 ASN A 59 13.064 -4.497 -7.325 1.00 0.00 H new ATOM 915 N MET A 60 10.185 -2.190 -9.272 1.00 0.00 N ATOM 916 CA MET A 60 9.949 -1.592 -10.621 1.00 0.00 C ATOM 917 C MET A 60 10.414 -0.125 -10.634 1.00 0.00 C ATOM 918 O MET A 60 11.080 0.282 -11.565 1.00 0.00 O ATOM 919 CB MET A 60 8.462 -1.652 -11.019 1.00 0.00 C ATOM 920 CG MET A 60 8.330 -2.226 -12.436 1.00 0.00 C ATOM 921 SD MET A 60 8.883 -3.949 -12.465 1.00 0.00 S ATOM 922 CE MET A 60 7.634 -4.570 -13.618 1.00 0.00 C ATOM 0 H MET A 60 10.650 -1.571 -8.607 1.00 0.00 H new ATOM 0 HA MET A 60 10.522 -2.175 -11.342 1.00 0.00 H new ATOM 0 HB2 MET A 60 7.911 -2.272 -10.312 1.00 0.00 H new ATOM 0 HB3 MET A 60 8.024 -0.655 -10.978 1.00 0.00 H new ATOM 0 HG2 MET A 60 7.293 -2.163 -12.767 1.00 0.00 H new ATOM 0 HG3 MET A 60 8.923 -1.634 -13.133 1.00 0.00 H new ATOM 0 HE1 MET A 60 7.789 -5.636 -13.783 1.00 0.00 H new ATOM 0 HE2 MET A 60 6.640 -4.409 -13.200 1.00 0.00 H new ATOM 0 HE3 MET A 60 7.719 -4.040 -14.567 1.00 0.00 H new ATOM 932 N PRO A 61 10.055 0.646 -9.620 1.00 0.00 N ATOM 933 CA PRO A 61 10.450 2.066 -9.567 1.00 0.00 C ATOM 934 C PRO A 61 11.960 2.181 -9.335 1.00 0.00 C ATOM 935 O PRO A 61 12.699 1.236 -9.527 1.00 0.00 O ATOM 936 CB PRO A 61 9.680 2.647 -8.374 1.00 0.00 C ATOM 937 CG PRO A 61 8.846 1.501 -7.750 1.00 0.00 C ATOM 938 CD PRO A 61 9.241 0.200 -8.464 1.00 0.00 C ATOM 0 HA PRO A 61 10.226 2.594 -10.494 1.00 0.00 H new ATOM 0 HB2 PRO A 61 10.370 3.062 -7.639 1.00 0.00 H new ATOM 0 HB3 PRO A 61 9.031 3.461 -8.697 1.00 0.00 H new ATOM 0 HG2 PRO A 61 9.039 1.425 -6.680 1.00 0.00 H new ATOM 0 HG3 PRO A 61 7.780 1.695 -7.868 1.00 0.00 H new ATOM 0 HD2 PRO A 61 9.811 -0.457 -7.807 1.00 0.00 H new ATOM 0 HD3 PRO A 61 8.362 -0.358 -8.788 1.00 0.00 H new ATOM 946 N ASN A 62 12.422 3.329 -8.919 1.00 0.00 N ATOM 947 CA ASN A 62 13.882 3.494 -8.671 1.00 0.00 C ATOM 948 C ASN A 62 14.353 2.402 -7.709 1.00 0.00 C ATOM 949 O ASN A 62 13.760 2.177 -6.674 1.00 0.00 O ATOM 950 CB ASN A 62 14.145 4.870 -8.052 1.00 0.00 C ATOM 951 CG ASN A 62 13.709 4.863 -6.585 1.00 0.00 C ATOM 952 OD1 ASN A 62 12.439 4.773 -6.295 1.00 0.00 O flip ATOM 953 ND2 ASN A 62 14.531 4.941 -5.695 1.00 0.00 N flip ATOM 0 H ASN A 62 11.853 4.157 -8.741 1.00 0.00 H new ATOM 0 HA ASN A 62 14.425 3.414 -9.612 1.00 0.00 H new ATOM 0 HB2 ASN A 62 15.204 5.117 -8.126 1.00 0.00 H new ATOM 0 HB3 ASN A 62 13.599 5.638 -8.601 1.00 0.00 H new ATOM 0 HD21 ASN A 62 15.523 5.011 -5.922 1.00 0.00 H new ATOM 0 HD22 ASN A 62 14.230 4.936 -4.721 1.00 0.00 H new ATOM 960 N MET A 63 15.412 1.716 -8.043 1.00 0.00 N ATOM 961 CA MET A 63 15.908 0.636 -7.144 1.00 0.00 C ATOM 962 C MET A 63 14.748 -0.299 -6.798 1.00 0.00 C ATOM 963 O MET A 63 14.188 -0.950 -7.657 1.00 0.00 O ATOM 964 CB MET A 63 16.468 1.254 -5.861 1.00 0.00 C ATOM 965 CG MET A 63 17.640 2.174 -6.207 1.00 0.00 C ATOM 966 SD MET A 63 19.109 1.175 -6.555 1.00 0.00 S ATOM 967 CE MET A 63 19.884 1.338 -4.929 1.00 0.00 C ATOM 0 H MET A 63 15.953 1.856 -8.896 1.00 0.00 H new ATOM 0 HA MET A 63 16.696 0.074 -7.645 1.00 0.00 H new ATOM 0 HB2 MET A 63 15.690 1.817 -5.346 1.00 0.00 H new ATOM 0 HB3 MET A 63 16.797 0.469 -5.180 1.00 0.00 H new ATOM 0 HG2 MET A 63 17.391 2.788 -7.073 1.00 0.00 H new ATOM 0 HG3 MET A 63 17.838 2.855 -5.380 1.00 0.00 H new ATOM 0 HE1 MET A 63 20.825 0.788 -4.918 1.00 0.00 H new ATOM 0 HE2 MET A 63 20.077 2.391 -4.722 1.00 0.00 H new ATOM 0 HE3 MET A 63 19.218 0.934 -4.166 1.00 0.00 H new ATOM 977 N ASP A 64 14.379 -0.365 -5.546 1.00 0.00 N ATOM 978 CA ASP A 64 13.249 -1.252 -5.144 1.00 0.00 C ATOM 979 C ASP A 64 12.439 -0.558 -4.050 1.00 0.00 C ATOM 980 O ASP A 64 12.962 0.228 -3.285 1.00 0.00 O ATOM 981 CB ASP A 64 13.799 -2.576 -4.607 1.00 0.00 C ATOM 982 CG ASP A 64 14.314 -3.430 -5.767 1.00 0.00 C ATOM 983 OD1 ASP A 64 15.029 -2.897 -6.599 1.00 0.00 O ATOM 984 OD2 ASP A 64 13.988 -4.604 -5.801 1.00 0.00 O ATOM 0 H ASP A 64 14.812 0.157 -4.784 1.00 0.00 H new ATOM 0 HA ASP A 64 12.614 -1.451 -6.007 1.00 0.00 H new ATOM 0 HB2 ASP A 64 14.605 -2.385 -3.898 1.00 0.00 H new ATOM 0 HB3 ASP A 64 13.019 -3.112 -4.067 1.00 0.00 H new ATOM 989 N GLY A 65 11.167 -0.837 -3.964 1.00 0.00 N ATOM 990 CA GLY A 65 10.344 -0.182 -2.910 1.00 0.00 C ATOM 991 C GLY A 65 10.739 -0.741 -1.541 1.00 0.00 C ATOM 992 O GLY A 65 10.064 -0.531 -0.553 1.00 0.00 O ATOM 0 H GLY A 65 10.666 -1.484 -4.573 1.00 0.00 H new ATOM 0 HA2 GLY A 65 10.495 0.897 -2.932 1.00 0.00 H new ATOM 0 HA3 GLY A 65 9.285 -0.360 -3.096 1.00 0.00 H new ATOM 996 N LEU A 66 11.834 -1.451 -1.474 1.00 0.00 N ATOM 997 CA LEU A 66 12.279 -2.018 -0.171 1.00 0.00 C ATOM 998 C LEU A 66 12.699 -0.873 0.752 1.00 0.00 C ATOM 999 O LEU A 66 12.178 -0.710 1.837 1.00 0.00 O ATOM 1000 CB LEU A 66 13.471 -2.950 -0.401 1.00 0.00 C ATOM 1001 CG LEU A 66 13.220 -4.289 0.294 1.00 0.00 C ATOM 1002 CD1 LEU A 66 12.136 -5.061 -0.459 1.00 0.00 C ATOM 1003 CD2 LEU A 66 14.514 -5.107 0.300 1.00 0.00 C ATOM 0 H LEU A 66 12.439 -1.662 -2.268 1.00 0.00 H new ATOM 0 HA LEU A 66 11.464 -2.580 0.285 1.00 0.00 H new ATOM 0 HB2 LEU A 66 13.622 -3.106 -1.469 1.00 0.00 H new ATOM 0 HB3 LEU A 66 14.382 -2.493 -0.014 1.00 0.00 H new ATOM 0 HG LEU A 66 12.894 -4.111 1.319 1.00 0.00 H new ATOM 0 HD11 LEU A 66 11.958 -6.015 0.037 1.00 0.00 H new ATOM 0 HD12 LEU A 66 11.214 -4.479 -0.468 1.00 0.00 H new ATOM 0 HD13 LEU A 66 12.462 -5.240 -1.484 1.00 0.00 H new ATOM 0 HD21 LEU A 66 14.338 -6.062 0.795 1.00 0.00 H new ATOM 0 HD22 LEU A 66 14.837 -5.284 -0.726 1.00 0.00 H new ATOM 0 HD23 LEU A 66 15.289 -4.558 0.835 1.00 0.00 H new ATOM 1015 N GLU A 67 13.636 -0.075 0.320 1.00 0.00 N ATOM 1016 CA GLU A 67 14.093 1.068 1.158 1.00 0.00 C ATOM 1017 C GLU A 67 12.971 2.102 1.249 1.00 0.00 C ATOM 1018 O GLU A 67 12.941 2.930 2.139 1.00 0.00 O ATOM 1019 CB GLU A 67 15.324 1.706 0.507 1.00 0.00 C ATOM 1020 CG GLU A 67 15.965 2.695 1.481 1.00 0.00 C ATOM 1021 CD GLU A 67 17.302 2.134 1.973 1.00 0.00 C ATOM 1022 OE1 GLU A 67 17.303 1.028 2.489 1.00 0.00 O ATOM 1023 OE2 GLU A 67 18.300 2.818 1.823 1.00 0.00 O ATOM 0 H GLU A 67 14.106 -0.166 -0.581 1.00 0.00 H new ATOM 0 HA GLU A 67 14.349 0.717 2.158 1.00 0.00 H new ATOM 0 HB2 GLU A 67 16.043 0.934 0.231 1.00 0.00 H new ATOM 0 HB3 GLU A 67 15.038 2.218 -0.411 1.00 0.00 H new ATOM 0 HG2 GLU A 67 16.120 3.656 0.990 1.00 0.00 H new ATOM 0 HG3 GLU A 67 15.300 2.872 2.326 1.00 0.00 H new ATOM 1030 N LEU A 68 12.043 2.050 0.334 1.00 0.00 N ATOM 1031 CA LEU A 68 10.915 3.019 0.350 1.00 0.00 C ATOM 1032 C LEU A 68 10.067 2.774 1.593 1.00 0.00 C ATOM 1033 O LEU A 68 9.887 3.642 2.422 1.00 0.00 O ATOM 1034 CB LEU A 68 10.059 2.793 -0.902 1.00 0.00 C ATOM 1035 CG LEU A 68 8.806 3.674 -0.869 1.00 0.00 C ATOM 1036 CD1 LEU A 68 9.210 5.140 -0.721 1.00 0.00 C ATOM 1037 CD2 LEU A 68 8.027 3.484 -2.176 1.00 0.00 C ATOM 0 H LEU A 68 12.019 1.373 -0.428 1.00 0.00 H new ATOM 0 HA LEU A 68 11.294 4.041 0.363 1.00 0.00 H new ATOM 0 HB2 LEU A 68 10.644 3.018 -1.794 1.00 0.00 H new ATOM 0 HB3 LEU A 68 9.770 1.744 -0.966 1.00 0.00 H new ATOM 0 HG LEU A 68 8.181 3.390 -0.023 1.00 0.00 H new ATOM 0 HD11 LEU A 68 8.316 5.763 -0.698 1.00 0.00 H new ATOM 0 HD12 LEU A 68 9.768 5.272 0.206 1.00 0.00 H new ATOM 0 HD13 LEU A 68 9.834 5.432 -1.565 1.00 0.00 H new ATOM 0 HD21 LEU A 68 7.133 4.108 -2.161 1.00 0.00 H new ATOM 0 HD22 LEU A 68 8.655 3.771 -3.019 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.738 2.438 -2.278 1.00 0.00 H new ATOM 1049 N LEU A 69 9.543 1.591 1.714 1.00 0.00 N ATOM 1050 CA LEU A 69 8.693 1.261 2.889 1.00 0.00 C ATOM 1051 C LEU A 69 9.563 1.164 4.137 1.00 0.00 C ATOM 1052 O LEU A 69 9.360 1.879 5.096 1.00 0.00 O ATOM 1053 CB LEU A 69 8.017 -0.085 2.638 1.00 0.00 C ATOM 1054 CG LEU A 69 6.623 -0.117 3.259 1.00 0.00 C ATOM 1055 CD1 LEU A 69 5.912 -1.381 2.790 1.00 0.00 C ATOM 1056 CD2 LEU A 69 6.727 -0.136 4.786 1.00 0.00 C ATOM 0 H LEU A 69 9.667 0.831 1.045 1.00 0.00 H new ATOM 0 HA LEU A 69 7.942 2.037 3.035 1.00 0.00 H new ATOM 0 HB2 LEU A 69 7.946 -0.267 1.566 1.00 0.00 H new ATOM 0 HB3 LEU A 69 8.625 -0.886 3.058 1.00 0.00 H new ATOM 0 HG LEU A 69 6.067 0.769 2.953 1.00 0.00 H new ATOM 0 HD11 LEU A 69 4.913 -1.419 3.225 1.00 0.00 H new ATOM 0 HD12 LEU A 69 5.834 -1.373 1.703 1.00 0.00 H new ATOM 0 HD13 LEU A 69 6.479 -2.256 3.106 1.00 0.00 H new ATOM 0 HD21 LEU A 69 5.727 -0.159 5.219 1.00 0.00 H new ATOM 0 HD22 LEU A 69 7.279 -1.021 5.102 1.00 0.00 H new ATOM 0 HD23 LEU A 69 7.249 0.758 5.126 1.00 0.00 H new ATOM 1068 N LYS A 70 10.520 0.274 4.124 1.00 0.00 N ATOM 1069 CA LYS A 70 11.422 0.107 5.305 1.00 0.00 C ATOM 1070 C LYS A 70 11.735 1.477 5.911 1.00 0.00 C ATOM 1071 O LYS A 70 11.808 1.630 7.115 1.00 0.00 O ATOM 1072 CB LYS A 70 12.725 -0.561 4.863 1.00 0.00 C ATOM 1073 CG LYS A 70 13.513 -1.000 6.098 1.00 0.00 C ATOM 1074 CD LYS A 70 14.847 -1.614 5.669 1.00 0.00 C ATOM 1075 CE LYS A 70 15.985 -0.968 6.461 1.00 0.00 C ATOM 1076 NZ LYS A 70 17.245 -1.729 6.229 1.00 0.00 N ATOM 0 H LYS A 70 10.718 -0.349 3.341 1.00 0.00 H new ATOM 0 HA LYS A 70 10.927 -0.515 6.050 1.00 0.00 H new ATOM 0 HB2 LYS A 70 12.509 -1.422 4.230 1.00 0.00 H new ATOM 0 HB3 LYS A 70 13.318 0.132 4.267 1.00 0.00 H new ATOM 0 HG2 LYS A 70 13.689 -0.146 6.751 1.00 0.00 H new ATOM 0 HG3 LYS A 70 12.935 -1.726 6.671 1.00 0.00 H new ATOM 0 HD2 LYS A 70 14.836 -2.690 5.841 1.00 0.00 H new ATOM 0 HD3 LYS A 70 15.002 -1.463 4.601 1.00 0.00 H new ATOM 0 HE2 LYS A 70 16.113 0.070 6.154 1.00 0.00 H new ATOM 0 HE3 LYS A 70 15.743 -0.959 7.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 18.019 -1.291 6.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 17.119 -2.713 6.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 17.477 -1.716 5.215 1.00 0.00 H new ATOM 1090 N THR A 71 11.904 2.479 5.090 1.00 0.00 N ATOM 1091 CA THR A 71 12.189 3.838 5.629 1.00 0.00 C ATOM 1092 C THR A 71 10.988 4.302 6.457 1.00 0.00 C ATOM 1093 O THR A 71 11.133 4.832 7.541 1.00 0.00 O ATOM 1094 CB THR A 71 12.421 4.811 4.472 1.00 0.00 C ATOM 1095 OG1 THR A 71 13.643 4.489 3.822 1.00 0.00 O ATOM 1096 CG2 THR A 71 12.489 6.241 5.012 1.00 0.00 C ATOM 0 H THR A 71 11.857 2.415 4.073 1.00 0.00 H new ATOM 0 HA THR A 71 13.081 3.809 6.254 1.00 0.00 H new ATOM 0 HB THR A 71 11.599 4.733 3.760 1.00 0.00 H new ATOM 0 HG1 THR A 71 13.592 3.579 3.462 1.00 0.00 H new ATOM 0 HG21 THR A 71 12.654 6.934 4.187 1.00 0.00 H new ATOM 0 HG22 THR A 71 11.551 6.487 5.510 1.00 0.00 H new ATOM 0 HG23 THR A 71 13.310 6.322 5.724 1.00 0.00 H new ATOM 1104 N ILE A 72 9.799 4.097 5.953 1.00 0.00 N ATOM 1105 CA ILE A 72 8.582 4.513 6.707 1.00 0.00 C ATOM 1106 C ILE A 72 8.606 3.871 8.096 1.00 0.00 C ATOM 1107 O ILE A 72 8.219 4.472 9.078 1.00 0.00 O ATOM 1108 CB ILE A 72 7.330 4.047 5.956 1.00 0.00 C ATOM 1109 CG1 ILE A 72 7.387 4.538 4.505 1.00 0.00 C ATOM 1110 CG2 ILE A 72 6.084 4.616 6.636 1.00 0.00 C ATOM 1111 CD1 ILE A 72 6.215 3.954 3.707 1.00 0.00 C ATOM 0 H ILE A 72 9.619 3.658 5.050 1.00 0.00 H new ATOM 0 HA ILE A 72 8.566 5.599 6.802 1.00 0.00 H new ATOM 0 HB ILE A 72 7.287 2.958 5.969 1.00 0.00 H new ATOM 0 HG12 ILE A 72 7.348 5.627 4.479 1.00 0.00 H new ATOM 0 HG13 ILE A 72 8.332 4.242 4.049 1.00 0.00 H new ATOM 0 HG21 ILE A 72 5.194 4.284 6.101 1.00 0.00 H new ATOM 0 HG22 ILE A 72 6.040 4.265 7.667 1.00 0.00 H new ATOM 0 HG23 ILE A 72 6.129 5.705 6.625 1.00 0.00 H new ATOM 0 HD11 ILE A 72 6.264 4.308 2.677 1.00 0.00 H new ATOM 0 HD12 ILE A 72 6.273 2.866 3.719 1.00 0.00 H new ATOM 0 HD13 ILE A 72 5.274 4.273 4.156 1.00 0.00 H new ATOM 1123 N ARG A 73 9.059 2.649 8.183 1.00 0.00 N ATOM 1124 CA ARG A 73 9.109 1.961 9.504 1.00 0.00 C ATOM 1125 C ARG A 73 10.439 2.276 10.194 1.00 0.00 C ATOM 1126 O ARG A 73 10.661 1.907 11.331 1.00 0.00 O ATOM 1127 CB ARG A 73 8.991 0.449 9.294 1.00 0.00 C ATOM 1128 CG ARG A 73 8.235 -0.174 10.470 1.00 0.00 C ATOM 1129 CD ARG A 73 8.297 -1.699 10.368 1.00 0.00 C ATOM 1130 NE ARG A 73 9.227 -2.229 11.404 1.00 0.00 N ATOM 1131 CZ ARG A 73 10.510 -2.007 11.304 1.00 0.00 C ATOM 1132 NH1 ARG A 73 11.196 -2.564 10.345 1.00 0.00 N ATOM 1133 NH2 ARG A 73 11.106 -1.228 12.165 1.00 0.00 N ATOM 0 H ARG A 73 9.397 2.097 7.394 1.00 0.00 H new ATOM 0 HA ARG A 73 8.285 2.309 10.127 1.00 0.00 H new ATOM 0 HB2 ARG A 73 8.468 0.241 8.361 1.00 0.00 H new ATOM 0 HB3 ARG A 73 9.983 0.005 9.209 1.00 0.00 H new ATOM 0 HG2 ARG A 73 8.672 0.156 11.412 1.00 0.00 H new ATOM 0 HG3 ARG A 73 7.197 0.159 10.466 1.00 0.00 H new ATOM 0 HD2 ARG A 73 7.303 -2.124 10.505 1.00 0.00 H new ATOM 0 HD3 ARG A 73 8.636 -1.994 9.375 1.00 0.00 H new ATOM 0 HE ARG A 73 8.862 -2.765 12.191 1.00 0.00 H new ATOM 0 HH11 ARG A 73 10.730 -3.173 9.672 1.00 0.00 H new ATOM 0 HH12 ARG A 73 12.198 -2.390 10.267 1.00 0.00 H new ATOM 0 HH21 ARG A 73 10.570 -0.793 12.916 1.00 0.00 H new ATOM 0 HH22 ARG A 73 12.108 -1.054 12.087 1.00 0.00 H new ATOM 1147 N ALA A 74 11.325 2.951 9.516 1.00 0.00 N ATOM 1148 CA ALA A 74 12.639 3.288 10.133 1.00 0.00 C ATOM 1149 C ALA A 74 12.506 4.570 10.957 1.00 0.00 C ATOM 1150 O ALA A 74 13.237 4.790 11.902 1.00 0.00 O ATOM 1151 CB ALA A 74 13.677 3.500 9.031 1.00 0.00 C ATOM 0 H ALA A 74 11.196 3.284 8.561 1.00 0.00 H new ATOM 0 HA ALA A 74 12.954 2.471 10.782 1.00 0.00 H new ATOM 0 HB1 ALA A 74 14.639 3.747 9.480 1.00 0.00 H new ATOM 0 HB2 ALA A 74 13.774 2.588 8.443 1.00 0.00 H new ATOM 0 HB3 ALA A 74 13.359 4.317 8.384 1.00 0.00 H new ATOM 1157 N ASP A 75 11.577 5.416 10.603 1.00 0.00 N ATOM 1158 CA ASP A 75 11.394 6.686 11.361 1.00 0.00 C ATOM 1159 C ASP A 75 11.409 6.399 12.864 1.00 0.00 C ATOM 1160 O ASP A 75 11.564 7.290 13.675 1.00 0.00 O ATOM 1161 CB ASP A 75 10.054 7.319 10.978 1.00 0.00 C ATOM 1162 CG ASP A 75 10.293 8.714 10.399 1.00 0.00 C ATOM 1163 OD1 ASP A 75 10.728 8.795 9.262 1.00 0.00 O ATOM 1164 OD2 ASP A 75 10.040 9.677 11.103 1.00 0.00 O ATOM 0 H ASP A 75 10.936 5.282 9.821 1.00 0.00 H new ATOM 0 HA ASP A 75 12.206 7.371 11.117 1.00 0.00 H new ATOM 0 HB2 ASP A 75 9.541 6.694 10.247 1.00 0.00 H new ATOM 0 HB3 ASP A 75 9.407 7.383 11.853 1.00 0.00 H new ATOM 1169 N GLY A 76 11.250 5.160 13.243 1.00 0.00 N ATOM 1170 CA GLY A 76 11.256 4.817 14.694 1.00 0.00 C ATOM 1171 C GLY A 76 10.021 5.419 15.367 1.00 0.00 C ATOM 1172 O GLY A 76 9.810 5.259 16.553 1.00 0.00 O ATOM 0 H GLY A 76 11.116 4.371 12.611 1.00 0.00 H new ATOM 0 HA2 GLY A 76 11.262 3.735 14.822 1.00 0.00 H new ATOM 0 HA3 GLY A 76 12.162 5.199 15.165 1.00 0.00 H new ATOM 1176 N ALA A 77 9.205 6.111 14.621 1.00 0.00 N ATOM 1177 CA ALA A 77 7.984 6.721 15.218 1.00 0.00 C ATOM 1178 C ALA A 77 6.860 6.729 14.180 1.00 0.00 C ATOM 1179 O ALA A 77 5.967 7.552 14.225 1.00 0.00 O ATOM 1180 CB ALA A 77 8.291 8.158 15.648 1.00 0.00 C ATOM 0 H ALA A 77 9.331 6.280 13.623 1.00 0.00 H new ATOM 0 HA ALA A 77 7.674 6.140 16.086 1.00 0.00 H new ATOM 0 HB1 ALA A 77 7.398 8.606 16.085 1.00 0.00 H new ATOM 0 HB2 ALA A 77 9.093 8.153 16.386 1.00 0.00 H new ATOM 0 HB3 ALA A 77 8.600 8.739 14.779 1.00 0.00 H new ATOM 1186 N MET A 78 6.900 5.816 13.245 1.00 0.00 N ATOM 1187 CA MET A 78 5.837 5.761 12.200 1.00 0.00 C ATOM 1188 C MET A 78 5.475 4.301 11.922 1.00 0.00 C ATOM 1189 O MET A 78 4.930 3.972 10.887 1.00 0.00 O ATOM 1190 CB MET A 78 6.351 6.410 10.911 1.00 0.00 C ATOM 1191 CG MET A 78 6.421 7.928 11.092 1.00 0.00 C ATOM 1192 SD MET A 78 4.745 8.603 11.189 1.00 0.00 S ATOM 1193 CE MET A 78 5.162 10.310 10.752 1.00 0.00 C ATOM 0 H MET A 78 7.626 5.104 13.161 1.00 0.00 H new ATOM 0 HA MET A 78 4.955 6.298 12.550 1.00 0.00 H new ATOM 0 HB2 MET A 78 7.337 6.018 10.663 1.00 0.00 H new ATOM 0 HB3 MET A 78 5.691 6.163 10.079 1.00 0.00 H new ATOM 0 HG2 MET A 78 6.975 8.172 11.998 1.00 0.00 H new ATOM 0 HG3 MET A 78 6.959 8.380 10.258 1.00 0.00 H new ATOM 0 HE1 MET A 78 4.257 10.917 10.751 1.00 0.00 H new ATOM 0 HE2 MET A 78 5.867 10.710 11.481 1.00 0.00 H new ATOM 0 HE3 MET A 78 5.614 10.332 9.761 1.00 0.00 H new ATOM 1203 N SER A 79 5.775 3.421 12.838 1.00 0.00 N ATOM 1204 CA SER A 79 5.449 1.984 12.626 1.00 0.00 C ATOM 1205 C SER A 79 4.009 1.718 13.069 1.00 0.00 C ATOM 1206 O SER A 79 3.740 0.792 13.809 1.00 0.00 O ATOM 1207 CB SER A 79 6.404 1.117 13.446 1.00 0.00 C ATOM 1208 OG SER A 79 6.105 1.265 14.827 1.00 0.00 O ATOM 0 H SER A 79 6.232 3.636 13.724 1.00 0.00 H new ATOM 0 HA SER A 79 5.555 1.739 11.569 1.00 0.00 H new ATOM 0 HB2 SER A 79 6.308 0.072 13.151 1.00 0.00 H new ATOM 0 HB3 SER A 79 7.436 1.409 13.252 1.00 0.00 H new ATOM 0 HG SER A 79 5.239 0.849 15.021 1.00 0.00 H new ATOM 1214 N ALA A 80 3.082 2.524 12.626 1.00 0.00 N ATOM 1215 CA ALA A 80 1.660 2.317 13.025 1.00 0.00 C ATOM 1216 C ALA A 80 0.734 2.703 11.868 1.00 0.00 C ATOM 1217 O ALA A 80 -0.473 2.714 12.007 1.00 0.00 O ATOM 1218 CB ALA A 80 1.342 3.187 14.243 1.00 0.00 C ATOM 0 H ALA A 80 3.248 3.316 12.005 1.00 0.00 H new ATOM 0 HA ALA A 80 1.506 1.267 13.274 1.00 0.00 H new ATOM 0 HB1 ALA A 80 0.303 3.037 14.536 1.00 0.00 H new ATOM 0 HB2 ALA A 80 1.996 2.909 15.070 1.00 0.00 H new ATOM 0 HB3 ALA A 80 1.500 4.236 13.992 1.00 0.00 H new ATOM 1224 N LEU A 81 1.285 3.017 10.726 1.00 0.00 N ATOM 1225 CA LEU A 81 0.428 3.397 9.567 1.00 0.00 C ATOM 1226 C LEU A 81 0.145 2.129 8.724 1.00 0.00 C ATOM 1227 O LEU A 81 1.082 1.522 8.245 1.00 0.00 O ATOM 1228 CB LEU A 81 1.180 4.419 8.706 1.00 0.00 C ATOM 1229 CG LEU A 81 0.188 5.400 8.064 1.00 0.00 C ATOM 1230 CD1 LEU A 81 -0.473 6.278 9.135 1.00 0.00 C ATOM 1231 CD2 LEU A 81 0.934 6.295 7.074 1.00 0.00 C ATOM 0 H LEU A 81 2.289 3.027 10.546 1.00 0.00 H new ATOM 0 HA LEU A 81 -0.510 3.830 9.916 1.00 0.00 H new ATOM 0 HB2 LEU A 81 1.898 4.964 9.319 1.00 0.00 H new ATOM 0 HB3 LEU A 81 1.748 3.905 7.931 1.00 0.00 H new ATOM 0 HG LEU A 81 -0.585 4.830 7.549 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -1.172 6.966 8.660 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -1.010 5.646 9.843 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.293 6.846 9.663 1.00 0.00 H new ATOM 0 HD21 LEU A 81 0.234 6.993 6.616 1.00 0.00 H new ATOM 0 HD22 LEU A 81 1.710 6.852 7.600 1.00 0.00 H new ATOM 0 HD23 LEU A 81 1.391 5.679 6.300 1.00 0.00 H new ATOM 1243 N PRO A 82 -1.112 1.733 8.560 1.00 0.00 N ATOM 1244 CA PRO A 82 -1.426 0.522 7.778 1.00 0.00 C ATOM 1245 C PRO A 82 -0.912 0.622 6.336 1.00 0.00 C ATOM 1246 O PRO A 82 -1.565 1.154 5.452 1.00 0.00 O ATOM 1247 CB PRO A 82 -2.955 0.405 7.802 1.00 0.00 C ATOM 1248 CG PRO A 82 -3.505 1.590 8.627 1.00 0.00 C ATOM 1249 CD PRO A 82 -2.303 2.419 9.116 1.00 0.00 C ATOM 0 HA PRO A 82 -0.940 -0.355 8.205 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -3.356 0.426 6.789 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -3.259 -0.543 8.245 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -4.170 2.203 8.019 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -4.089 1.228 9.473 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -2.365 3.449 8.765 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -2.265 2.455 10.205 1.00 0.00 H new ATOM 1257 N VAL A 83 0.247 0.079 6.090 1.00 0.00 N ATOM 1258 CA VAL A 83 0.803 0.086 4.712 1.00 0.00 C ATOM 1259 C VAL A 83 0.528 -1.252 4.071 1.00 0.00 C ATOM 1260 O VAL A 83 1.149 -2.236 4.424 1.00 0.00 O ATOM 1261 CB VAL A 83 2.322 0.242 4.726 1.00 0.00 C ATOM 1262 CG1 VAL A 83 2.885 -0.253 3.381 1.00 0.00 C ATOM 1263 CG2 VAL A 83 2.684 1.708 4.907 1.00 0.00 C ATOM 0 H VAL A 83 0.836 -0.372 6.790 1.00 0.00 H new ATOM 0 HA VAL A 83 0.343 0.915 4.175 1.00 0.00 H new ATOM 0 HB VAL A 83 2.742 -0.339 5.547 1.00 0.00 H new ATOM 0 HG11 VAL A 83 3.970 -0.146 3.379 1.00 0.00 H new ATOM 0 HG12 VAL A 83 2.623 -1.302 3.241 1.00 0.00 H new ATOM 0 HG13 VAL A 83 2.461 0.338 2.569 1.00 0.00 H new ATOM 0 HG21 VAL A 83 3.769 1.816 4.917 1.00 0.00 H new ATOM 0 HG22 VAL A 83 2.268 2.290 4.084 1.00 0.00 H new ATOM 0 HG23 VAL A 83 2.275 2.070 5.850 1.00 0.00 H new ATOM 1273 N LEU A 84 -0.335 -1.309 3.101 1.00 0.00 N ATOM 1274 CA LEU A 84 -0.543 -2.607 2.432 1.00 0.00 C ATOM 1275 C LEU A 84 0.373 -2.607 1.224 1.00 0.00 C ATOM 1276 O LEU A 84 0.104 -1.982 0.218 1.00 0.00 O ATOM 1277 CB LEU A 84 -2.008 -2.784 2.006 1.00 0.00 C ATOM 1278 CG LEU A 84 -2.270 -4.165 1.342 1.00 0.00 C ATOM 1279 CD1 LEU A 84 -1.334 -5.263 1.865 1.00 0.00 C ATOM 1280 CD2 LEU A 84 -3.703 -4.593 1.649 1.00 0.00 C ATOM 0 H LEU A 84 -0.892 -0.529 2.751 1.00 0.00 H new ATOM 0 HA LEU A 84 -0.317 -3.435 3.104 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -2.653 -2.675 2.878 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -2.279 -1.991 1.309 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.093 -4.046 0.273 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.563 -6.205 1.366 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.299 -4.987 1.661 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.474 -5.379 2.940 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -3.900 -5.561 1.189 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.836 -4.670 2.728 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -4.397 -3.853 1.250 1.00 0.00 H new ATOM 1292 N MET A 85 1.476 -3.276 1.333 1.00 0.00 N ATOM 1293 CA MET A 85 2.437 -3.289 0.220 1.00 0.00 C ATOM 1294 C MET A 85 1.906 -4.209 -0.877 1.00 0.00 C ATOM 1295 O MET A 85 1.147 -5.119 -0.614 1.00 0.00 O ATOM 1296 CB MET A 85 3.782 -3.768 0.769 1.00 0.00 C ATOM 1297 CG MET A 85 4.828 -3.818 -0.353 1.00 0.00 C ATOM 1298 SD MET A 85 5.164 -2.136 -0.929 1.00 0.00 S ATOM 1299 CE MET A 85 6.966 -2.166 -0.750 1.00 0.00 C ATOM 0 H MET A 85 1.752 -3.817 2.153 1.00 0.00 H new ATOM 0 HA MET A 85 2.570 -2.298 -0.214 1.00 0.00 H new ATOM 0 HB2 MET A 85 4.119 -3.098 1.560 1.00 0.00 H new ATOM 0 HB3 MET A 85 3.669 -4.756 1.215 1.00 0.00 H new ATOM 0 HG2 MET A 85 5.746 -4.281 0.010 1.00 0.00 H new ATOM 0 HG3 MET A 85 4.465 -4.432 -1.177 1.00 0.00 H new ATOM 0 HE1 MET A 85 7.362 -1.160 -0.886 1.00 0.00 H new ATOM 0 HE2 MET A 85 7.227 -2.527 0.245 1.00 0.00 H new ATOM 0 HE3 MET A 85 7.395 -2.829 -1.501 1.00 0.00 H new ATOM 1309 N VAL A 86 2.268 -3.952 -2.106 1.00 0.00 N ATOM 1310 CA VAL A 86 1.755 -4.785 -3.231 1.00 0.00 C ATOM 1311 C VAL A 86 2.919 -5.333 -4.053 1.00 0.00 C ATOM 1312 O VAL A 86 3.946 -4.699 -4.184 1.00 0.00 O ATOM 1313 CB VAL A 86 0.870 -3.906 -4.113 1.00 0.00 C ATOM 1314 CG1 VAL A 86 0.162 -4.766 -5.155 1.00 0.00 C ATOM 1315 CG2 VAL A 86 -0.164 -3.195 -3.236 1.00 0.00 C ATOM 0 H VAL A 86 2.899 -3.199 -2.379 1.00 0.00 H new ATOM 0 HA VAL A 86 1.183 -5.626 -2.839 1.00 0.00 H new ATOM 0 HB VAL A 86 1.485 -3.166 -4.625 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -0.468 -4.134 -5.781 1.00 0.00 H new ATOM 0 HG12 VAL A 86 0.903 -5.269 -5.776 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -0.456 -5.510 -4.653 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -0.799 -2.566 -3.860 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -0.778 -3.936 -2.724 1.00 0.00 H new ATOM 0 HG23 VAL A 86 0.348 -2.576 -2.499 1.00 0.00 H new ATOM 1325 N THR A 87 2.768 -6.514 -4.605 1.00 0.00 N ATOM 1326 CA THR A 87 3.880 -7.096 -5.415 1.00 0.00 C ATOM 1327 C THR A 87 3.310 -7.876 -6.600 1.00 0.00 C ATOM 1328 O THR A 87 2.146 -8.222 -6.626 1.00 0.00 O ATOM 1329 CB THR A 87 4.707 -8.038 -4.535 1.00 0.00 C ATOM 1330 OG1 THR A 87 5.389 -7.282 -3.545 1.00 0.00 O ATOM 1331 CG2 THR A 87 5.723 -8.788 -5.398 1.00 0.00 C ATOM 0 H THR A 87 1.932 -7.093 -4.530 1.00 0.00 H new ATOM 0 HA THR A 87 4.512 -6.291 -5.789 1.00 0.00 H new ATOM 0 HB THR A 87 4.046 -8.757 -4.052 1.00 0.00 H new ATOM 0 HG1 THR A 87 6.347 -7.265 -3.749 1.00 0.00 H new ATOM 0 HG21 THR A 87 6.310 -9.458 -4.770 1.00 0.00 H new ATOM 0 HG22 THR A 87 5.198 -9.369 -6.156 1.00 0.00 H new ATOM 0 HG23 THR A 87 6.386 -8.072 -5.884 1.00 0.00 H new ATOM 1339 N ALA A 88 4.131 -8.156 -7.579 1.00 0.00 N ATOM 1340 CA ALA A 88 3.662 -8.920 -8.770 1.00 0.00 C ATOM 1341 C ALA A 88 4.195 -10.352 -8.687 1.00 0.00 C ATOM 1342 O ALA A 88 3.442 -11.301 -8.600 1.00 0.00 O ATOM 1343 CB ALA A 88 4.188 -8.254 -10.042 1.00 0.00 C ATOM 0 H ALA A 88 5.114 -7.885 -7.603 1.00 0.00 H new ATOM 0 HA ALA A 88 2.572 -8.933 -8.793 1.00 0.00 H new ATOM 0 HB1 ALA A 88 3.845 -8.812 -10.913 1.00 0.00 H new ATOM 0 HB2 ALA A 88 3.816 -7.231 -10.097 1.00 0.00 H new ATOM 0 HB3 ALA A 88 5.278 -8.244 -10.023 1.00 0.00 H new ATOM 1349 N GLU A 89 5.492 -10.512 -8.705 1.00 0.00 N ATOM 1350 CA GLU A 89 6.083 -11.878 -8.618 1.00 0.00 C ATOM 1351 C GLU A 89 6.466 -12.166 -7.165 1.00 0.00 C ATOM 1352 O GLU A 89 7.582 -11.928 -6.747 1.00 0.00 O ATOM 1353 CB GLU A 89 7.330 -11.952 -9.503 1.00 0.00 C ATOM 1354 CG GLU A 89 7.654 -13.417 -9.807 1.00 0.00 C ATOM 1355 CD GLU A 89 7.003 -13.819 -11.132 1.00 0.00 C ATOM 1356 OE1 GLU A 89 7.360 -13.238 -12.145 1.00 0.00 O ATOM 1357 OE2 GLU A 89 6.160 -14.701 -11.112 1.00 0.00 O ATOM 0 H GLU A 89 6.169 -9.752 -8.776 1.00 0.00 H new ATOM 0 HA GLU A 89 5.357 -12.616 -8.958 1.00 0.00 H new ATOM 0 HB2 GLU A 89 7.163 -11.405 -10.431 1.00 0.00 H new ATOM 0 HB3 GLU A 89 8.174 -11.478 -9.001 1.00 0.00 H new ATOM 0 HG2 GLU A 89 8.733 -13.558 -9.862 1.00 0.00 H new ATOM 0 HG3 GLU A 89 7.290 -14.056 -9.002 1.00 0.00 H new ATOM 1364 N ALA A 90 5.547 -12.670 -6.391 1.00 0.00 N ATOM 1365 CA ALA A 90 5.853 -12.965 -4.963 1.00 0.00 C ATOM 1366 C ALA A 90 6.568 -14.312 -4.851 1.00 0.00 C ATOM 1367 O ALA A 90 6.516 -15.132 -5.746 1.00 0.00 O ATOM 1368 CB ALA A 90 4.551 -13.017 -4.167 1.00 0.00 C ATOM 0 H ALA A 90 4.596 -12.891 -6.685 1.00 0.00 H new ATOM 0 HA ALA A 90 6.498 -12.182 -4.565 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.772 -13.233 -3.122 1.00 0.00 H new ATOM 0 HB2 ALA A 90 4.042 -12.056 -4.239 1.00 0.00 H new ATOM 0 HB3 ALA A 90 3.909 -13.799 -4.571 1.00 0.00 H new ATOM 1374 N LYS A 91 7.232 -14.544 -3.753 1.00 0.00 N ATOM 1375 CA LYS A 91 7.949 -15.835 -3.570 1.00 0.00 C ATOM 1376 C LYS A 91 7.928 -16.216 -2.087 1.00 0.00 C ATOM 1377 O LYS A 91 7.818 -15.372 -1.220 1.00 0.00 O ATOM 1378 CB LYS A 91 9.397 -15.689 -4.043 1.00 0.00 C ATOM 1379 CG LYS A 91 9.720 -16.801 -5.044 1.00 0.00 C ATOM 1380 CD LYS A 91 11.184 -16.693 -5.472 1.00 0.00 C ATOM 1381 CE LYS A 91 11.513 -17.825 -6.446 1.00 0.00 C ATOM 1382 NZ LYS A 91 12.960 -17.770 -6.802 1.00 0.00 N ATOM 0 H LYS A 91 7.309 -13.892 -2.972 1.00 0.00 H new ATOM 0 HA LYS A 91 7.458 -16.613 -4.154 1.00 0.00 H new ATOM 0 HB2 LYS A 91 9.543 -14.713 -4.507 1.00 0.00 H new ATOM 0 HB3 LYS A 91 10.076 -15.742 -3.192 1.00 0.00 H new ATOM 0 HG2 LYS A 91 9.533 -17.776 -4.594 1.00 0.00 H new ATOM 0 HG3 LYS A 91 9.069 -16.722 -5.914 1.00 0.00 H new ATOM 0 HD2 LYS A 91 11.366 -15.728 -5.944 1.00 0.00 H new ATOM 0 HD3 LYS A 91 11.835 -16.749 -4.599 1.00 0.00 H new ATOM 0 HE2 LYS A 91 11.275 -18.788 -5.995 1.00 0.00 H new ATOM 0 HE3 LYS A 91 10.903 -17.735 -7.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 13.184 -18.540 -7.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 13.173 -16.855 -7.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 13.534 -17.876 -5.941 1.00 0.00 H new ATOM 1396 N LYS A 92 8.025 -17.481 -1.791 1.00 0.00 N ATOM 1397 CA LYS A 92 8.002 -17.921 -0.367 1.00 0.00 C ATOM 1398 C LYS A 92 9.025 -17.120 0.445 1.00 0.00 C ATOM 1399 O LYS A 92 8.728 -16.619 1.511 1.00 0.00 O ATOM 1400 CB LYS A 92 8.350 -19.410 -0.295 1.00 0.00 C ATOM 1401 CG LYS A 92 7.222 -20.165 0.414 1.00 0.00 C ATOM 1402 CD LYS A 92 7.542 -21.663 0.438 1.00 0.00 C ATOM 1403 CE LYS A 92 7.860 -22.094 1.871 1.00 0.00 C ATOM 1404 NZ LYS A 92 8.202 -23.545 1.889 1.00 0.00 N ATOM 0 H LYS A 92 8.119 -18.232 -2.475 1.00 0.00 H new ATOM 0 HA LYS A 92 7.008 -17.752 0.046 1.00 0.00 H new ATOM 0 HB2 LYS A 92 8.494 -19.809 -1.299 1.00 0.00 H new ATOM 0 HB3 LYS A 92 9.289 -19.549 0.242 1.00 0.00 H new ATOM 0 HG2 LYS A 92 7.104 -19.792 1.431 1.00 0.00 H new ATOM 0 HG3 LYS A 92 6.276 -19.993 -0.100 1.00 0.00 H new ATOM 0 HD2 LYS A 92 6.695 -22.233 0.055 1.00 0.00 H new ATOM 0 HD3 LYS A 92 8.390 -21.875 -0.213 1.00 0.00 H new ATOM 0 HE2 LYS A 92 8.692 -21.508 2.262 1.00 0.00 H new ATOM 0 HE3 LYS A 92 7.004 -21.903 2.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 8.418 -23.839 2.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 7.395 -24.096 1.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 9.031 -23.714 1.284 1.00 0.00 H new ATOM 1418 N GLU A 93 10.231 -17.010 -0.039 1.00 0.00 N ATOM 1419 CA GLU A 93 11.270 -16.262 0.711 1.00 0.00 C ATOM 1420 C GLU A 93 11.065 -14.753 0.557 1.00 0.00 C ATOM 1421 O GLU A 93 11.017 -14.022 1.527 1.00 0.00 O ATOM 1422 CB GLU A 93 12.653 -16.641 0.175 1.00 0.00 C ATOM 1423 CG GLU A 93 12.701 -18.145 -0.106 1.00 0.00 C ATOM 1424 CD GLU A 93 12.467 -18.393 -1.598 1.00 0.00 C ATOM 1425 OE1 GLU A 93 13.221 -17.857 -2.393 1.00 0.00 O ATOM 1426 OE2 GLU A 93 11.537 -19.114 -1.919 1.00 0.00 O ATOM 0 H GLU A 93 10.540 -17.409 -0.926 1.00 0.00 H new ATOM 0 HA GLU A 93 11.194 -16.521 1.767 1.00 0.00 H new ATOM 0 HB2 GLU A 93 12.866 -16.084 -0.737 1.00 0.00 H new ATOM 0 HB3 GLU A 93 13.421 -16.372 0.900 1.00 0.00 H new ATOM 0 HG2 GLU A 93 13.667 -18.551 0.194 1.00 0.00 H new ATOM 0 HG3 GLU A 93 11.942 -18.660 0.483 1.00 0.00 H new ATOM 1433 N ASN A 94 10.966 -14.275 -0.653 1.00 0.00 N ATOM 1434 CA ASN A 94 10.789 -12.809 -0.866 1.00 0.00 C ATOM 1435 C ASN A 94 9.529 -12.312 -0.158 1.00 0.00 C ATOM 1436 O ASN A 94 9.303 -11.122 -0.055 1.00 0.00 O ATOM 1437 CB ASN A 94 10.675 -12.520 -2.364 1.00 0.00 C ATOM 1438 CG ASN A 94 9.392 -11.731 -2.637 1.00 0.00 C ATOM 1439 OD1 ASN A 94 8.239 -12.340 -2.571 1.00 0.00 O flip ATOM 1440 ND2 ASN A 94 9.438 -10.549 -2.912 1.00 0.00 N flip ATOM 0 H ASN A 94 11.000 -14.836 -1.504 1.00 0.00 H new ATOM 0 HA ASN A 94 11.654 -12.290 -0.453 1.00 0.00 H new ATOM 0 HB2 ASN A 94 11.542 -11.953 -2.702 1.00 0.00 H new ATOM 0 HB3 ASN A 94 10.666 -13.454 -2.926 1.00 0.00 H new ATOM 0 HD21 ASN A 94 10.338 -10.072 -2.964 1.00 0.00 H new ATOM 0 HD22 ASN A 94 8.576 -10.033 -3.091 1.00 0.00 H new ATOM 1447 N ILE A 95 8.701 -13.195 0.331 1.00 0.00 N ATOM 1448 CA ILE A 95 7.465 -12.730 1.022 1.00 0.00 C ATOM 1449 C ILE A 95 7.774 -12.455 2.498 1.00 0.00 C ATOM 1450 O ILE A 95 6.964 -11.910 3.215 1.00 0.00 O ATOM 1451 CB ILE A 95 6.351 -13.773 0.860 1.00 0.00 C ATOM 1452 CG1 ILE A 95 5.658 -13.519 -0.485 1.00 0.00 C ATOM 1453 CG2 ILE A 95 5.325 -13.637 1.994 1.00 0.00 C ATOM 1454 CD1 ILE A 95 4.651 -14.628 -0.782 1.00 0.00 C ATOM 0 H ILE A 95 8.824 -14.206 0.283 1.00 0.00 H new ATOM 0 HA ILE A 95 7.116 -11.801 0.572 1.00 0.00 H new ATOM 0 HB ILE A 95 6.775 -14.777 0.895 1.00 0.00 H new ATOM 0 HG12 ILE A 95 5.151 -12.554 -0.464 1.00 0.00 H new ATOM 0 HG13 ILE A 95 6.401 -13.471 -1.281 1.00 0.00 H new ATOM 0 HG21 ILE A 95 4.541 -14.383 1.866 1.00 0.00 H new ATOM 0 HG22 ILE A 95 5.820 -13.791 2.953 1.00 0.00 H new ATOM 0 HG23 ILE A 95 4.885 -12.640 1.969 1.00 0.00 H new ATOM 0 HD11 ILE A 95 4.168 -14.434 -1.739 1.00 0.00 H new ATOM 0 HD12 ILE A 95 5.168 -15.587 -0.824 1.00 0.00 H new ATOM 0 HD13 ILE A 95 3.898 -14.656 0.006 1.00 0.00 H new ATOM 1466 N ILE A 96 8.953 -12.789 2.952 1.00 0.00 N ATOM 1467 CA ILE A 96 9.305 -12.486 4.370 1.00 0.00 C ATOM 1468 C ILE A 96 9.935 -11.105 4.396 1.00 0.00 C ATOM 1469 O ILE A 96 9.593 -10.270 5.209 1.00 0.00 O ATOM 1470 CB ILE A 96 10.314 -13.496 4.915 1.00 0.00 C ATOM 1471 CG1 ILE A 96 9.571 -14.719 5.459 1.00 0.00 C ATOM 1472 CG2 ILE A 96 11.120 -12.843 6.050 1.00 0.00 C ATOM 1473 CD1 ILE A 96 8.643 -15.279 4.378 1.00 0.00 C ATOM 0 H ILE A 96 9.681 -13.254 2.409 1.00 0.00 H new ATOM 0 HA ILE A 96 8.407 -12.535 4.987 1.00 0.00 H new ATOM 0 HB ILE A 96 10.988 -13.807 4.116 1.00 0.00 H new ATOM 0 HG12 ILE A 96 10.285 -15.482 5.771 1.00 0.00 H new ATOM 0 HG13 ILE A 96 8.993 -14.443 6.341 1.00 0.00 H new ATOM 0 HG21 ILE A 96 11.842 -13.559 6.443 1.00 0.00 H new ATOM 0 HG22 ILE A 96 11.648 -11.970 5.666 1.00 0.00 H new ATOM 0 HG23 ILE A 96 10.443 -12.536 6.847 1.00 0.00 H new ATOM 0 HD11 ILE A 96 8.115 -16.150 4.767 1.00 0.00 H new ATOM 0 HD12 ILE A 96 7.921 -14.516 4.088 1.00 0.00 H new ATOM 0 HD13 ILE A 96 9.232 -15.571 3.508 1.00 0.00 H new ATOM 1485 N ALA A 97 10.848 -10.863 3.496 1.00 0.00 N ATOM 1486 CA ALA A 97 11.504 -9.533 3.440 1.00 0.00 C ATOM 1487 C ALA A 97 10.416 -8.478 3.546 1.00 0.00 C ATOM 1488 O ALA A 97 10.652 -7.354 3.941 1.00 0.00 O ATOM 1489 CB ALA A 97 12.237 -9.381 2.108 1.00 0.00 C ATOM 0 H ALA A 97 11.167 -11.533 2.796 1.00 0.00 H new ATOM 0 HA ALA A 97 12.224 -9.424 4.251 1.00 0.00 H new ATOM 0 HB1 ALA A 97 12.719 -8.404 2.067 1.00 0.00 H new ATOM 0 HB2 ALA A 97 12.992 -10.162 2.017 1.00 0.00 H new ATOM 0 HB3 ALA A 97 11.524 -9.468 1.288 1.00 0.00 H new ATOM 1495 N ALA A 98 9.213 -8.846 3.205 1.00 0.00 N ATOM 1496 CA ALA A 98 8.099 -7.880 3.296 1.00 0.00 C ATOM 1497 C ALA A 98 8.103 -7.264 4.691 1.00 0.00 C ATOM 1498 O ALA A 98 8.112 -6.077 4.845 1.00 0.00 O ATOM 1499 CB ALA A 98 6.765 -8.576 3.034 1.00 0.00 C ATOM 0 H ALA A 98 8.959 -9.775 2.868 1.00 0.00 H new ATOM 0 HA ALA A 98 8.228 -7.102 2.544 1.00 0.00 H new ATOM 0 HB1 ALA A 98 5.955 -7.850 3.105 1.00 0.00 H new ATOM 0 HB2 ALA A 98 6.773 -9.014 2.036 1.00 0.00 H new ATOM 0 HB3 ALA A 98 6.613 -9.362 3.774 1.00 0.00 H new ATOM 1505 N ALA A 99 8.109 -8.045 5.723 1.00 0.00 N ATOM 1506 CA ALA A 99 8.130 -7.422 7.070 1.00 0.00 C ATOM 1507 C ALA A 99 9.241 -6.370 7.086 1.00 0.00 C ATOM 1508 O ALA A 99 9.063 -5.275 7.580 1.00 0.00 O ATOM 1509 CB ALA A 99 8.401 -8.489 8.126 1.00 0.00 C ATOM 0 H ALA A 99 8.101 -9.065 5.700 1.00 0.00 H new ATOM 0 HA ALA A 99 7.170 -6.956 7.291 1.00 0.00 H new ATOM 0 HB1 ALA A 99 8.416 -8.028 9.114 1.00 0.00 H new ATOM 0 HB2 ALA A 99 7.616 -9.244 8.090 1.00 0.00 H new ATOM 0 HB3 ALA A 99 9.365 -8.958 7.930 1.00 0.00 H new ATOM 1515 N GLN A 100 10.376 -6.676 6.511 1.00 0.00 N ATOM 1516 CA GLN A 100 11.467 -5.659 6.464 1.00 0.00 C ATOM 1517 C GLN A 100 10.962 -4.453 5.658 1.00 0.00 C ATOM 1518 O GLN A 100 11.319 -3.322 5.917 1.00 0.00 O ATOM 1519 CB GLN A 100 12.706 -6.256 5.789 1.00 0.00 C ATOM 1520 CG GLN A 100 13.851 -6.328 6.803 1.00 0.00 C ATOM 1521 CD GLN A 100 13.459 -7.259 7.950 1.00 0.00 C ATOM 1522 OE1 GLN A 100 13.009 -6.811 8.986 1.00 0.00 O ATOM 1523 NE2 GLN A 100 13.611 -8.548 7.811 1.00 0.00 N ATOM 0 H GLN A 100 10.592 -7.574 6.078 1.00 0.00 H new ATOM 0 HA GLN A 100 11.738 -5.350 7.473 1.00 0.00 H new ATOM 0 HB2 GLN A 100 12.481 -7.251 5.406 1.00 0.00 H new ATOM 0 HB3 GLN A 100 12.999 -5.645 4.935 1.00 0.00 H new ATOM 0 HG2 GLN A 100 14.757 -6.692 6.319 1.00 0.00 H new ATOM 0 HG3 GLN A 100 14.073 -5.333 7.188 1.00 0.00 H new ATOM 0 HE21 GLN A 100 13.989 -8.926 6.942 1.00 0.00 H new ATOM 0 HE22 GLN A 100 13.352 -9.177 8.571 1.00 0.00 H new ATOM 1532 N ALA A 101 10.104 -4.702 4.700 1.00 0.00 N ATOM 1533 CA ALA A 101 9.519 -3.593 3.874 1.00 0.00 C ATOM 1534 C ALA A 101 8.021 -3.847 3.758 1.00 0.00 C ATOM 1535 O ALA A 101 7.234 -3.186 4.390 1.00 0.00 O ATOM 1536 CB ALA A 101 10.140 -3.577 2.480 1.00 0.00 C ATOM 0 H ALA A 101 9.779 -5.636 4.450 1.00 0.00 H new ATOM 0 HA ALA A 101 9.719 -2.631 4.346 1.00 0.00 H new ATOM 0 HB1 ALA A 101 9.703 -2.767 1.896 1.00 0.00 H new ATOM 0 HB2 ALA A 101 11.216 -3.425 2.563 1.00 0.00 H new ATOM 0 HB3 ALA A 101 9.945 -4.528 1.984 1.00 0.00 H new ATOM 1542 N GLY A 102 7.649 -4.857 2.998 1.00 0.00 N ATOM 1543 CA GLY A 102 6.216 -5.257 2.867 1.00 0.00 C ATOM 1544 C GLY A 102 5.664 -5.379 4.276 1.00 0.00 C ATOM 1545 O GLY A 102 5.655 -6.401 4.923 1.00 0.00 O ATOM 0 H GLY A 102 8.296 -5.428 2.455 1.00 0.00 H new ATOM 0 HA2 GLY A 102 5.658 -4.515 2.296 1.00 0.00 H new ATOM 0 HA3 GLY A 102 6.126 -6.203 2.333 1.00 0.00 H new ATOM 1549 N ALA A 103 5.324 -4.277 4.755 1.00 0.00 N ATOM 1550 CA ALA A 103 4.873 -4.117 6.151 1.00 0.00 C ATOM 1551 C ALA A 103 3.528 -4.758 6.473 1.00 0.00 C ATOM 1552 O ALA A 103 3.400 -5.962 6.580 1.00 0.00 O ATOM 1553 CB ALA A 103 4.782 -2.635 6.396 1.00 0.00 C ATOM 0 H ALA A 103 5.332 -3.408 4.222 1.00 0.00 H new ATOM 0 HA ALA A 103 5.589 -4.629 6.794 1.00 0.00 H new ATOM 0 HB1 ALA A 103 4.451 -2.455 7.419 1.00 0.00 H new ATOM 0 HB2 ALA A 103 5.761 -2.181 6.246 1.00 0.00 H new ATOM 0 HB3 ALA A 103 4.068 -2.194 5.701 1.00 0.00 H new ATOM 1559 N SER A 104 2.550 -3.931 6.701 1.00 0.00 N ATOM 1560 CA SER A 104 1.194 -4.423 7.107 1.00 0.00 C ATOM 1561 C SER A 104 0.824 -5.711 6.388 1.00 0.00 C ATOM 1562 O SER A 104 0.525 -6.713 7.007 1.00 0.00 O ATOM 1563 CB SER A 104 0.155 -3.358 6.790 1.00 0.00 C ATOM 1564 OG SER A 104 0.781 -2.092 6.840 1.00 0.00 O ATOM 0 H SER A 104 2.628 -2.917 6.624 1.00 0.00 H new ATOM 0 HA SER A 104 1.218 -4.627 8.177 1.00 0.00 H new ATOM 0 HB2 SER A 104 -0.274 -3.530 5.803 1.00 0.00 H new ATOM 0 HB3 SER A 104 -0.665 -3.404 7.507 1.00 0.00 H new ATOM 0 HG SER A 104 1.393 -2.000 6.081 1.00 0.00 H new ATOM 1570 N GLY A 105 0.823 -5.698 5.093 1.00 0.00 N ATOM 1571 CA GLY A 105 0.450 -6.930 4.357 1.00 0.00 C ATOM 1572 C GLY A 105 1.065 -6.908 2.971 1.00 0.00 C ATOM 1573 O GLY A 105 1.609 -5.912 2.534 1.00 0.00 O ATOM 0 H GLY A 105 1.062 -4.894 4.513 1.00 0.00 H new ATOM 0 HA2 GLY A 105 0.793 -7.809 4.903 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -0.635 -7.005 4.282 1.00 0.00 H new ATOM 1577 N TYR A 106 0.970 -8.002 2.278 1.00 0.00 N ATOM 1578 CA TYR A 106 1.522 -8.074 0.906 1.00 0.00 C ATOM 1579 C TYR A 106 0.480 -8.766 0.029 1.00 0.00 C ATOM 1580 O TYR A 106 0.178 -9.931 0.210 1.00 0.00 O ATOM 1581 CB TYR A 106 2.830 -8.878 0.901 1.00 0.00 C ATOM 1582 CG TYR A 106 2.721 -10.032 -0.074 1.00 0.00 C ATOM 1583 CD1 TYR A 106 2.941 -9.826 -1.443 1.00 0.00 C ATOM 1584 CD2 TYR A 106 2.386 -11.310 0.394 1.00 0.00 C ATOM 1585 CE1 TYR A 106 2.825 -10.896 -2.338 1.00 0.00 C ATOM 1586 CE2 TYR A 106 2.272 -12.378 -0.502 1.00 0.00 C ATOM 1587 CZ TYR A 106 2.491 -12.172 -1.866 1.00 0.00 C ATOM 1588 OH TYR A 106 2.371 -13.225 -2.749 1.00 0.00 O ATOM 0 H TYR A 106 0.528 -8.859 2.609 1.00 0.00 H new ATOM 0 HA TYR A 106 1.741 -7.075 0.530 1.00 0.00 H new ATOM 0 HB2 TYR A 106 3.663 -8.232 0.623 1.00 0.00 H new ATOM 0 HB3 TYR A 106 3.040 -9.255 1.902 1.00 0.00 H new ATOM 0 HD1 TYR A 106 3.200 -8.843 -1.807 1.00 0.00 H new ATOM 0 HD2 TYR A 106 2.216 -11.470 1.448 1.00 0.00 H new ATOM 0 HE1 TYR A 106 2.993 -10.738 -3.393 1.00 0.00 H new ATOM 0 HE2 TYR A 106 2.015 -13.362 -0.139 1.00 0.00 H new ATOM 0 HH TYR A 106 1.523 -13.689 -2.591 1.00 0.00 H new ATOM 1598 N VAL A 107 -0.083 -8.053 -0.902 1.00 0.00 N ATOM 1599 CA VAL A 107 -1.111 -8.658 -1.789 1.00 0.00 C ATOM 1600 C VAL A 107 -0.507 -8.810 -3.182 1.00 0.00 C ATOM 1601 O VAL A 107 -0.170 -7.843 -3.837 1.00 0.00 O ATOM 1602 CB VAL A 107 -2.344 -7.751 -1.828 1.00 0.00 C ATOM 1603 CG1 VAL A 107 -1.981 -6.425 -2.487 1.00 0.00 C ATOM 1604 CG2 VAL A 107 -3.469 -8.430 -2.616 1.00 0.00 C ATOM 0 H VAL A 107 0.126 -7.072 -1.088 1.00 0.00 H new ATOM 0 HA VAL A 107 -1.418 -9.636 -1.418 1.00 0.00 H new ATOM 0 HB VAL A 107 -2.686 -7.568 -0.809 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -2.859 -5.780 -2.514 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -1.191 -5.939 -1.915 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -1.633 -6.607 -3.504 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -4.342 -7.778 -2.639 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -3.134 -8.623 -3.635 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -3.732 -9.372 -2.136 1.00 0.00 H new ATOM 1614 N VAL A 108 -0.351 -10.021 -3.634 1.00 0.00 N ATOM 1615 CA VAL A 108 0.244 -10.232 -4.976 1.00 0.00 C ATOM 1616 C VAL A 108 -0.764 -9.788 -6.042 1.00 0.00 C ATOM 1617 O VAL A 108 -1.714 -10.486 -6.336 1.00 0.00 O ATOM 1618 CB VAL A 108 0.564 -11.717 -5.167 1.00 0.00 C ATOM 1619 CG1 VAL A 108 -0.565 -12.561 -4.572 1.00 0.00 C ATOM 1620 CG2 VAL A 108 0.694 -12.021 -6.661 1.00 0.00 C ATOM 0 H VAL A 108 -0.610 -10.870 -3.132 1.00 0.00 H new ATOM 0 HA VAL A 108 1.162 -9.651 -5.067 1.00 0.00 H new ATOM 0 HB VAL A 108 1.501 -11.956 -4.664 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -0.339 -13.619 -4.707 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -0.660 -12.343 -3.508 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -1.502 -12.323 -5.076 1.00 0.00 H new ATOM 0 HG21 VAL A 108 0.922 -13.078 -6.799 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -0.244 -11.783 -7.164 1.00 0.00 H new ATOM 0 HG23 VAL A 108 1.496 -11.418 -7.086 1.00 0.00 H new ATOM 1630 N LYS A 109 -0.574 -8.632 -6.618 1.00 0.00 N ATOM 1631 CA LYS A 109 -1.533 -8.155 -7.655 1.00 0.00 C ATOM 1632 C LYS A 109 -1.426 -9.060 -8.895 1.00 0.00 C ATOM 1633 O LYS A 109 -0.409 -9.698 -9.084 1.00 0.00 O ATOM 1634 CB LYS A 109 -1.191 -6.694 -8.008 1.00 0.00 C ATOM 1635 CG LYS A 109 -0.608 -6.577 -9.426 1.00 0.00 C ATOM 1636 CD LYS A 109 -0.164 -5.133 -9.667 1.00 0.00 C ATOM 1637 CE LYS A 109 0.615 -5.053 -10.982 1.00 0.00 C ATOM 1638 NZ LYS A 109 0.252 -3.797 -11.698 1.00 0.00 N ATOM 0 H LYS A 109 0.200 -8.000 -6.416 1.00 0.00 H new ATOM 0 HA LYS A 109 -2.557 -8.199 -7.283 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -2.089 -6.081 -7.931 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -0.475 -6.302 -7.286 1.00 0.00 H new ATOM 0 HG2 LYS A 109 0.238 -7.255 -9.542 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -1.354 -6.869 -10.165 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -1.033 -4.476 -9.706 1.00 0.00 H new ATOM 0 HD3 LYS A 109 0.459 -4.790 -8.841 1.00 0.00 H new ATOM 0 HE2 LYS A 109 1.687 -5.075 -10.784 1.00 0.00 H new ATOM 0 HE3 LYS A 109 0.388 -5.918 -11.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 0.631 -3.827 -12.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -0.783 -3.705 -11.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 0.655 -2.981 -11.194 1.00 0.00 H new ATOM 1652 N PRO A 110 -2.446 -9.074 -9.735 1.00 0.00 N ATOM 1653 CA PRO A 110 -3.706 -8.313 -9.547 1.00 0.00 C ATOM 1654 C PRO A 110 -4.566 -8.965 -8.454 1.00 0.00 C ATOM 1655 O PRO A 110 -4.464 -10.149 -8.205 1.00 0.00 O ATOM 1656 CB PRO A 110 -4.437 -8.437 -10.893 1.00 0.00 C ATOM 1657 CG PRO A 110 -3.563 -9.314 -11.823 1.00 0.00 C ATOM 1658 CD PRO A 110 -2.383 -9.837 -10.993 1.00 0.00 C ATOM 0 HA PRO A 110 -3.517 -7.281 -9.252 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -5.420 -8.888 -10.755 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -4.597 -7.453 -11.334 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -4.145 -10.143 -12.226 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -3.206 -8.733 -12.673 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -2.470 -10.908 -10.812 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -1.435 -9.677 -11.507 1.00 0.00 H new ATOM 1666 N PHE A 111 -5.412 -8.198 -7.806 1.00 0.00 N ATOM 1667 CA PHE A 111 -6.282 -8.773 -6.734 1.00 0.00 C ATOM 1668 C PHE A 111 -7.731 -8.378 -6.968 1.00 0.00 C ATOM 1669 O PHE A 111 -8.032 -7.418 -7.649 1.00 0.00 O ATOM 1670 CB PHE A 111 -5.871 -8.237 -5.360 1.00 0.00 C ATOM 1671 CG PHE A 111 -5.579 -6.762 -5.449 1.00 0.00 C ATOM 1672 CD1 PHE A 111 -6.628 -5.837 -5.559 1.00 0.00 C ATOM 1673 CD2 PHE A 111 -4.258 -6.322 -5.431 1.00 0.00 C ATOM 1674 CE1 PHE A 111 -6.338 -4.469 -5.654 1.00 0.00 C ATOM 1675 CE2 PHE A 111 -3.968 -4.958 -5.528 1.00 0.00 C ATOM 1676 CZ PHE A 111 -5.008 -4.031 -5.641 1.00 0.00 C ATOM 0 H PHE A 111 -5.536 -7.200 -7.974 1.00 0.00 H new ATOM 0 HA PHE A 111 -6.170 -9.857 -6.763 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -6.668 -8.416 -4.638 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -4.990 -8.770 -5.001 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -7.653 -6.177 -5.570 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -3.454 -7.038 -5.342 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -7.141 -3.752 -5.737 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -2.942 -4.621 -5.516 1.00 0.00 H new ATOM 0 HZ PHE A 111 -4.786 -2.977 -5.718 1.00 0.00 H new ATOM 1686 N THR A 112 -8.623 -9.101 -6.364 1.00 0.00 N ATOM 1687 CA THR A 112 -10.065 -8.773 -6.489 1.00 0.00 C ATOM 1688 C THR A 112 -10.452 -7.977 -5.247 1.00 0.00 C ATOM 1689 O THR A 112 -9.888 -8.168 -4.190 1.00 0.00 O ATOM 1690 CB THR A 112 -10.887 -10.063 -6.555 1.00 0.00 C ATOM 1691 OG1 THR A 112 -10.057 -11.129 -6.994 1.00 0.00 O ATOM 1692 CG2 THR A 112 -12.048 -9.879 -7.533 1.00 0.00 C ATOM 0 H THR A 112 -8.414 -9.913 -5.783 1.00 0.00 H new ATOM 0 HA THR A 112 -10.257 -8.199 -7.396 1.00 0.00 H new ATOM 0 HB THR A 112 -11.282 -10.295 -5.566 1.00 0.00 H new ATOM 0 HG1 THR A 112 -10.581 -11.956 -7.035 1.00 0.00 H new ATOM 0 HG21 THR A 112 -12.633 -10.797 -7.580 1.00 0.00 H new ATOM 0 HG22 THR A 112 -12.683 -9.061 -7.194 1.00 0.00 H new ATOM 0 HG23 THR A 112 -11.656 -9.647 -8.523 1.00 0.00 H new ATOM 1700 N ALA A 113 -11.384 -7.077 -5.355 1.00 0.00 N ATOM 1701 CA ALA A 113 -11.764 -6.279 -4.158 1.00 0.00 C ATOM 1702 C ALA A 113 -11.955 -7.213 -2.969 1.00 0.00 C ATOM 1703 O ALA A 113 -11.623 -6.880 -1.851 1.00 0.00 O ATOM 1704 CB ALA A 113 -13.059 -5.512 -4.430 1.00 0.00 C ATOM 0 H ALA A 113 -11.896 -6.859 -6.210 1.00 0.00 H new ATOM 0 HA ALA A 113 -10.972 -5.564 -3.935 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -13.330 -4.931 -3.549 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -12.913 -4.841 -5.277 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -13.858 -6.217 -4.659 1.00 0.00 H new ATOM 1710 N ALA A 114 -12.464 -8.389 -3.197 1.00 0.00 N ATOM 1711 CA ALA A 114 -12.639 -9.332 -2.065 1.00 0.00 C ATOM 1712 C ALA A 114 -11.259 -9.721 -1.553 1.00 0.00 C ATOM 1713 O ALA A 114 -11.047 -9.894 -0.370 1.00 0.00 O ATOM 1714 CB ALA A 114 -13.394 -10.577 -2.532 1.00 0.00 C ATOM 0 H ALA A 114 -12.763 -8.734 -4.109 1.00 0.00 H new ATOM 0 HA ALA A 114 -13.216 -8.860 -1.269 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -13.518 -11.263 -1.694 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -14.374 -10.287 -2.911 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -12.829 -11.069 -3.324 1.00 0.00 H new ATOM 1720 N THR A 115 -10.306 -9.837 -2.437 1.00 0.00 N ATOM 1721 CA THR A 115 -8.936 -10.186 -1.994 1.00 0.00 C ATOM 1722 C THR A 115 -8.357 -8.979 -1.247 1.00 0.00 C ATOM 1723 O THR A 115 -8.163 -9.037 -0.049 1.00 0.00 O ATOM 1724 CB THR A 115 -8.076 -10.549 -3.207 1.00 0.00 C ATOM 1725 OG1 THR A 115 -8.426 -11.854 -3.650 1.00 0.00 O ATOM 1726 CG2 THR A 115 -6.593 -10.523 -2.826 1.00 0.00 C ATOM 0 H THR A 115 -10.421 -9.705 -3.442 1.00 0.00 H new ATOM 0 HA THR A 115 -8.952 -11.050 -1.330 1.00 0.00 H new ATOM 0 HB THR A 115 -8.251 -9.825 -4.003 1.00 0.00 H new ATOM 0 HG1 THR A 115 -7.880 -12.093 -4.428 1.00 0.00 H new ATOM 0 HG21 THR A 115 -5.989 -10.783 -3.696 1.00 0.00 H new ATOM 0 HG22 THR A 115 -6.323 -9.525 -2.482 1.00 0.00 H new ATOM 0 HG23 THR A 115 -6.409 -11.243 -2.029 1.00 0.00 H new ATOM 1734 N LEU A 116 -8.091 -7.873 -1.920 1.00 0.00 N ATOM 1735 CA LEU A 116 -7.553 -6.696 -1.179 1.00 0.00 C ATOM 1736 C LEU A 116 -8.391 -6.464 0.082 1.00 0.00 C ATOM 1737 O LEU A 116 -7.871 -6.136 1.130 1.00 0.00 O ATOM 1738 CB LEU A 116 -7.637 -5.447 -2.054 1.00 0.00 C ATOM 1739 CG LEU A 116 -6.562 -4.438 -1.617 1.00 0.00 C ATOM 1740 CD1 LEU A 116 -5.162 -4.959 -1.960 1.00 0.00 C ATOM 1741 CD2 LEU A 116 -6.793 -3.104 -2.331 1.00 0.00 C ATOM 0 H LEU A 116 -8.222 -7.744 -2.923 1.00 0.00 H new ATOM 0 HA LEU A 116 -6.514 -6.890 -0.913 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -7.495 -5.714 -3.101 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -8.627 -4.998 -1.971 1.00 0.00 H new ATOM 0 HG LEU A 116 -6.632 -4.300 -0.538 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -4.415 -4.231 -1.643 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -4.989 -5.904 -1.445 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -5.085 -5.113 -3.036 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -6.031 -2.389 -2.021 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -6.734 -3.253 -3.409 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -7.779 -2.719 -2.072 1.00 0.00 H new ATOM 1753 N GLU A 117 -9.687 -6.625 -0.008 1.00 0.00 N ATOM 1754 CA GLU A 117 -10.542 -6.404 1.189 1.00 0.00 C ATOM 1755 C GLU A 117 -10.168 -7.411 2.276 1.00 0.00 C ATOM 1756 O GLU A 117 -9.882 -7.051 3.400 1.00 0.00 O ATOM 1757 CB GLU A 117 -12.013 -6.580 0.811 1.00 0.00 C ATOM 1758 CG GLU A 117 -12.883 -6.483 2.066 1.00 0.00 C ATOM 1759 CD GLU A 117 -13.350 -7.883 2.474 1.00 0.00 C ATOM 1760 OE1 GLU A 117 -12.549 -8.800 2.394 1.00 0.00 O ATOM 1761 OE2 GLU A 117 -14.502 -8.014 2.855 1.00 0.00 O ATOM 0 H GLU A 117 -10.185 -6.899 -0.855 1.00 0.00 H new ATOM 0 HA GLU A 117 -10.386 -5.392 1.563 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -12.308 -5.815 0.092 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -12.161 -7.546 0.328 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -12.318 -6.026 2.878 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -13.744 -5.842 1.876 1.00 0.00 H new ATOM 1768 N GLU A 118 -10.170 -8.671 1.947 1.00 0.00 N ATOM 1769 CA GLU A 118 -9.814 -9.706 2.959 1.00 0.00 C ATOM 1770 C GLU A 118 -8.536 -9.284 3.685 1.00 0.00 C ATOM 1771 O GLU A 118 -8.317 -9.634 4.828 1.00 0.00 O ATOM 1772 CB GLU A 118 -9.587 -11.048 2.258 1.00 0.00 C ATOM 1773 CG GLU A 118 -10.871 -11.878 2.309 1.00 0.00 C ATOM 1774 CD GLU A 118 -11.107 -12.369 3.739 1.00 0.00 C ATOM 1775 OE1 GLU A 118 -10.140 -12.478 4.474 1.00 0.00 O ATOM 1776 OE2 GLU A 118 -12.251 -12.629 4.074 1.00 0.00 O ATOM 0 H GLU A 118 -10.403 -9.031 1.021 1.00 0.00 H new ATOM 0 HA GLU A 118 -10.625 -9.808 3.680 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -9.290 -10.883 1.222 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -8.773 -11.589 2.741 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -11.718 -11.278 1.975 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -10.795 -12.727 1.630 1.00 0.00 H new ATOM 1783 N LYS A 119 -7.692 -8.534 3.031 1.00 0.00 N ATOM 1784 CA LYS A 119 -6.430 -8.088 3.687 1.00 0.00 C ATOM 1785 C LYS A 119 -6.726 -6.904 4.608 1.00 0.00 C ATOM 1786 O LYS A 119 -6.336 -6.885 5.758 1.00 0.00 O ATOM 1787 CB LYS A 119 -5.423 -7.658 2.616 1.00 0.00 C ATOM 1788 CG LYS A 119 -5.152 -8.825 1.661 1.00 0.00 C ATOM 1789 CD LYS A 119 -4.528 -9.995 2.429 1.00 0.00 C ATOM 1790 CE LYS A 119 -3.543 -10.734 1.521 1.00 0.00 C ATOM 1791 NZ LYS A 119 -2.953 -11.886 2.259 1.00 0.00 N ATOM 0 H LYS A 119 -7.821 -8.211 2.072 1.00 0.00 H new ATOM 0 HA LYS A 119 -6.014 -8.909 4.270 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -5.811 -6.804 2.061 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -4.493 -7.337 3.086 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -6.082 -9.143 1.189 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -4.483 -8.505 0.863 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -4.015 -9.628 3.318 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -5.307 -10.677 2.770 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -4.053 -11.086 0.624 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -2.755 -10.056 1.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -2.284 -12.388 1.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -2.453 -11.539 3.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -3.710 -12.537 2.550 1.00 0.00 H new ATOM 1805 N LEU A 120 -7.414 -5.912 4.110 1.00 0.00 N ATOM 1806 CA LEU A 120 -7.731 -4.726 4.957 1.00 0.00 C ATOM 1807 C LEU A 120 -8.441 -5.189 6.230 1.00 0.00 C ATOM 1808 O LEU A 120 -8.099 -4.792 7.325 1.00 0.00 O ATOM 1809 CB LEU A 120 -8.659 -3.778 4.181 1.00 0.00 C ATOM 1810 CG LEU A 120 -8.556 -2.342 4.728 1.00 0.00 C ATOM 1811 CD1 LEU A 120 -7.970 -1.421 3.655 1.00 0.00 C ATOM 1812 CD2 LEU A 120 -9.953 -1.842 5.104 1.00 0.00 C ATOM 0 H LEU A 120 -7.770 -5.871 3.155 1.00 0.00 H new ATOM 0 HA LEU A 120 -6.808 -4.207 5.216 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -8.395 -3.789 3.123 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -9.689 -4.128 4.256 1.00 0.00 H new ATOM 0 HG LEU A 120 -7.910 -2.338 5.606 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -7.899 -0.406 4.046 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -6.977 -1.773 3.376 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -8.617 -1.427 2.778 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -9.884 -0.826 5.492 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -10.592 -1.851 4.221 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -10.379 -2.493 5.867 1.00 0.00 H new ATOM 1824 N ASN A 121 -9.435 -6.023 6.091 1.00 0.00 N ATOM 1825 CA ASN A 121 -10.180 -6.510 7.287 1.00 0.00 C ATOM 1826 C ASN A 121 -9.228 -7.246 8.231 1.00 0.00 C ATOM 1827 O ASN A 121 -9.224 -7.020 9.424 1.00 0.00 O ATOM 1828 CB ASN A 121 -11.290 -7.465 6.840 1.00 0.00 C ATOM 1829 CG ASN A 121 -12.441 -7.417 7.846 1.00 0.00 C ATOM 1830 OD1 ASN A 121 -12.867 -8.437 8.350 1.00 0.00 O ATOM 1831 ND2 ASN A 121 -12.968 -6.265 8.162 1.00 0.00 N ATOM 0 H ASN A 121 -9.764 -6.389 5.198 1.00 0.00 H new ATOM 0 HA ASN A 121 -10.615 -5.658 7.809 1.00 0.00 H new ATOM 0 HB2 ASN A 121 -11.647 -7.185 5.849 1.00 0.00 H new ATOM 0 HB3 ASN A 121 -10.902 -8.481 6.764 1.00 0.00 H new ATOM 0 HD21 ASN A 121 -13.736 -6.222 8.831 1.00 0.00 H new ATOM 0 HD22 ASN A 121 -12.611 -5.408 7.740 1.00 0.00 H new ATOM 1838 N LYS A 122 -8.428 -8.130 7.709 1.00 0.00 N ATOM 1839 CA LYS A 122 -7.483 -8.887 8.580 1.00 0.00 C ATOM 1840 C LYS A 122 -6.523 -7.908 9.262 1.00 0.00 C ATOM 1841 O LYS A 122 -6.042 -8.151 10.350 1.00 0.00 O ATOM 1842 CB LYS A 122 -6.686 -9.880 7.724 1.00 0.00 C ATOM 1843 CG LYS A 122 -5.868 -10.821 8.622 1.00 0.00 C ATOM 1844 CD LYS A 122 -4.407 -10.367 8.643 1.00 0.00 C ATOM 1845 CE LYS A 122 -3.682 -11.051 9.804 1.00 0.00 C ATOM 1846 NZ LYS A 122 -4.382 -12.321 10.148 1.00 0.00 N ATOM 0 H LYS A 122 -8.386 -8.363 6.717 1.00 0.00 H new ATOM 0 HA LYS A 122 -8.043 -9.432 9.340 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -7.366 -10.461 7.101 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -6.021 -9.339 7.051 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -6.275 -10.820 9.633 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -5.936 -11.844 8.252 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -3.923 -10.617 7.699 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -4.352 -9.284 8.752 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -2.647 -11.256 9.530 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -3.657 -10.391 10.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -3.759 -12.913 10.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -5.252 -12.106 10.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -4.624 -12.831 9.275 1.00 0.00 H new ATOM 1860 N ILE A 123 -6.246 -6.800 8.631 1.00 0.00 N ATOM 1861 CA ILE A 123 -5.323 -5.800 9.241 1.00 0.00 C ATOM 1862 C ILE A 123 -6.106 -4.931 10.225 1.00 0.00 C ATOM 1863 O ILE A 123 -5.598 -4.522 11.250 1.00 0.00 O ATOM 1864 CB ILE A 123 -4.732 -4.919 8.135 1.00 0.00 C ATOM 1865 CG1 ILE A 123 -3.822 -5.768 7.245 1.00 0.00 C ATOM 1866 CG2 ILE A 123 -3.914 -3.771 8.745 1.00 0.00 C ATOM 1867 CD1 ILE A 123 -3.530 -5.015 5.946 1.00 0.00 C ATOM 0 H ILE A 123 -6.620 -6.543 7.717 1.00 0.00 H new ATOM 0 HA ILE A 123 -4.517 -6.311 9.767 1.00 0.00 H new ATOM 0 HB ILE A 123 -5.547 -4.499 7.545 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -2.891 -5.990 7.766 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -4.299 -6.723 7.025 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -3.501 -3.154 7.947 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -4.559 -3.161 9.378 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -3.101 -4.182 9.344 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -2.882 -5.620 5.312 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -4.465 -4.816 5.423 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -3.035 -4.072 6.176 1.00 0.00 H new ATOM 1879 N PHE A 124 -7.335 -4.635 9.916 1.00 0.00 N ATOM 1880 CA PHE A 124 -8.145 -3.784 10.822 1.00 0.00 C ATOM 1881 C PHE A 124 -8.801 -4.650 11.890 1.00 0.00 C ATOM 1882 O PHE A 124 -9.446 -4.156 12.793 1.00 0.00 O ATOM 1883 CB PHE A 124 -9.191 -3.034 9.997 1.00 0.00 C ATOM 1884 CG PHE A 124 -8.575 -1.812 9.331 1.00 0.00 C ATOM 1885 CD1 PHE A 124 -7.178 -1.678 9.143 1.00 0.00 C ATOM 1886 CD2 PHE A 124 -9.423 -0.792 8.901 1.00 0.00 C ATOM 1887 CE1 PHE A 124 -6.665 -0.532 8.533 1.00 0.00 C ATOM 1888 CE2 PHE A 124 -8.902 0.353 8.293 1.00 0.00 C ATOM 1889 CZ PHE A 124 -7.528 0.482 8.112 1.00 0.00 C ATOM 0 H PHE A 124 -7.814 -4.948 9.071 1.00 0.00 H new ATOM 0 HA PHE A 124 -7.509 -3.055 11.324 1.00 0.00 H new ATOM 0 HB2 PHE A 124 -9.607 -3.697 9.238 1.00 0.00 H new ATOM 0 HB3 PHE A 124 -10.016 -2.727 10.639 1.00 0.00 H new ATOM 0 HD1 PHE A 124 -6.510 -2.461 9.471 1.00 0.00 H new ATOM 0 HD2 PHE A 124 -10.490 -0.888 9.039 1.00 0.00 H new ATOM 0 HE1 PHE A 124 -5.600 -0.429 8.387 1.00 0.00 H new ATOM 0 HE2 PHE A 124 -9.566 1.138 7.963 1.00 0.00 H new ATOM 0 HZ PHE A 124 -7.128 1.369 7.644 1.00 0.00 H new ATOM 1899 N GLU A 125 -8.603 -5.935 11.827 1.00 0.00 N ATOM 1900 CA GLU A 125 -9.176 -6.809 12.880 1.00 0.00 C ATOM 1901 C GLU A 125 -8.295 -6.650 14.112 1.00 0.00 C ATOM 1902 O GLU A 125 -8.732 -6.794 15.237 1.00 0.00 O ATOM 1903 CB GLU A 125 -9.171 -8.268 12.415 1.00 0.00 C ATOM 1904 CG GLU A 125 -10.609 -8.744 12.204 1.00 0.00 C ATOM 1905 CD GLU A 125 -10.598 -10.114 11.521 1.00 0.00 C ATOM 1906 OE1 GLU A 125 -9.547 -10.504 11.039 1.00 0.00 O ATOM 1907 OE2 GLU A 125 -11.640 -10.747 11.492 1.00 0.00 O ATOM 0 H GLU A 125 -8.074 -6.413 11.098 1.00 0.00 H new ATOM 0 HA GLU A 125 -10.208 -6.533 13.098 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -8.606 -8.363 11.488 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -8.675 -8.895 13.156 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -11.127 -8.807 13.161 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -11.155 -8.025 11.593 1.00 0.00 H new ATOM 1914 N LYS A 126 -7.052 -6.317 13.893 1.00 0.00 N ATOM 1915 CA LYS A 126 -6.118 -6.098 15.024 1.00 0.00 C ATOM 1916 C LYS A 126 -6.127 -4.606 15.353 1.00 0.00 C ATOM 1917 O LYS A 126 -5.961 -4.206 16.489 1.00 0.00 O ATOM 1918 CB LYS A 126 -4.706 -6.530 14.619 1.00 0.00 C ATOM 1919 CG LYS A 126 -4.596 -8.054 14.692 1.00 0.00 C ATOM 1920 CD LYS A 126 -4.190 -8.470 16.107 1.00 0.00 C ATOM 1921 CE LYS A 126 -4.744 -9.864 16.408 1.00 0.00 C ATOM 1922 NZ LYS A 126 -4.587 -10.732 15.207 1.00 0.00 N ATOM 0 H LYS A 126 -6.644 -6.187 12.967 1.00 0.00 H new ATOM 0 HA LYS A 126 -6.424 -6.682 15.892 1.00 0.00 H new ATOM 0 HB2 LYS A 126 -4.486 -6.187 13.608 1.00 0.00 H new ATOM 0 HB3 LYS A 126 -3.971 -6.070 15.279 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -5.549 -8.511 14.427 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -3.860 -8.411 13.971 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -3.104 -8.471 16.200 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -4.571 -7.751 16.832 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -4.217 -10.301 17.257 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -5.796 -9.797 16.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -4.518 -11.726 15.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 -5.411 -10.614 14.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -3.723 -10.463 14.695 1.00 0.00 H new ATOM 1936 N LEU A 127 -6.342 -3.779 14.361 1.00 0.00 N ATOM 1937 CA LEU A 127 -6.389 -2.313 14.609 1.00 0.00 C ATOM 1938 C LEU A 127 -7.697 -1.992 15.340 1.00 0.00 C ATOM 1939 O LEU A 127 -7.778 -1.047 16.101 1.00 0.00 O ATOM 1940 CB LEU A 127 -6.321 -1.551 13.273 1.00 0.00 C ATOM 1941 CG LEU A 127 -5.620 -0.205 13.483 1.00 0.00 C ATOM 1942 CD1 LEU A 127 -4.107 -0.385 13.345 1.00 0.00 C ATOM 1943 CD2 LEU A 127 -6.106 0.791 12.428 1.00 0.00 C ATOM 0 H LEU A 127 -6.487 -4.060 13.391 1.00 0.00 H new ATOM 0 HA LEU A 127 -5.539 -2.006 15.218 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -5.781 -2.142 12.533 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -7.326 -1.392 12.882 1.00 0.00 H new ATOM 0 HG LEU A 127 -5.852 0.170 14.480 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -3.611 0.574 13.495 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -3.755 -1.096 14.093 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -3.875 -0.762 12.349 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -5.608 1.749 12.576 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -5.873 0.411 11.434 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -7.184 0.924 12.522 1.00 0.00 H new ATOM 1955 N GLY A 128 -8.717 -2.790 15.128 1.00 0.00 N ATOM 1956 CA GLY A 128 -10.016 -2.555 15.823 1.00 0.00 C ATOM 1957 C GLY A 128 -10.374 -1.070 15.790 1.00 0.00 C ATOM 1958 O GLY A 128 -10.058 -0.325 16.695 1.00 0.00 O ATOM 0 H GLY A 128 -8.702 -3.595 14.502 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -10.803 -3.137 15.343 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -9.951 -2.898 16.856 1.00 0.00 H new ATOM 1962 N MET A 129 -11.037 -0.635 14.756 1.00 0.00 N ATOM 1963 CA MET A 129 -11.422 0.797 14.670 1.00 0.00 C ATOM 1964 C MET A 129 -12.796 0.993 15.314 1.00 0.00 C ATOM 1965 O MET A 129 -13.299 2.103 15.265 1.00 0.00 O ATOM 1966 CB MET A 129 -11.483 1.213 13.201 1.00 0.00 C ATOM 1967 CG MET A 129 -10.066 1.346 12.638 1.00 0.00 C ATOM 1968 SD MET A 129 -9.702 3.091 12.319 1.00 0.00 S ATOM 1969 CE MET A 129 -9.704 3.649 14.041 1.00 0.00 C ATOM 1970 OXT MET A 129 -13.320 0.029 15.850 1.00 0.00 O ATOM 0 H MET A 129 -11.328 -1.211 13.967 1.00 0.00 H new ATOM 0 HA MET A 129 -10.686 1.408 15.193 1.00 0.00 H new ATOM 0 HB2 MET A 129 -12.044 0.474 12.628 1.00 0.00 H new ATOM 0 HB3 MET A 129 -12.013 2.161 13.104 1.00 0.00 H new ATOM 0 HG2 MET A 129 -9.343 0.936 13.344 1.00 0.00 H new ATOM 0 HG3 MET A 129 -9.974 0.770 11.717 1.00 0.00 H new ATOM 0 HE1 MET A 129 -9.259 4.642 14.102 1.00 0.00 H new ATOM 0 HE2 MET A 129 -10.729 3.688 14.410 1.00 0.00 H new ATOM 0 HE3 MET A 129 -9.125 2.954 14.649 1.00 0.00 H new